smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(O)c(C(C)=O)c1 218224424 FEEMPDVCYTYLHG-INIZCTEOSA-N 385.372 2.852 70 50 GFIA O=C(COC[C@@H]1CCCCO1)N1CCN(c2nsc3ccccc23)CC1 218409240 BZBRCGFSAXKLGQ-HNNXBMFYSA-N 375.494 2.531 70 50 GFIA Cc1nc2sc([C@@H](c3ccc(F)c(Cl)c3)N3CCN(C)CC3)c(O)n2n1 218531882 IRPUIUIWXBYCNK-CQSZACIVSA-N 395.891 2.934 70 50 GFIA Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@H](C)CCCC(C)C)[C@H]4C2=O)no1 217713411 XCLJIXXMLYMVTE-BXUPCCMSSA-N 387.480 2.600 70 50 GFIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1cccnc1 217794220 XYEHSPWWGMIASD-HXUWFJFHSA-N 384.395 2.835 70 50 GFIA biogenic Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1)C2=O 159416478 SXBRAVPNPXGHLK-JFIYKMOQSA-N 394.471 2.650 70 50 GFIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1ccccn1 217748679 FOIPMBFNXJRQQJ-FQEVSTJZSA-N 384.395 2.835 70 50 GFIA biogenic Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N(C)Cc2cc(-c3ccccc3)on2)n1 217152338 BYZYJYOLWQBRMF-CYBMUJFWSA-N 384.461 2.873 70 50 GFIA Cn1ccc2c(NC(=O)[C@@H]3CC(=O)N(CCc4ccc(O)cc4)C3)cccc21 217726933 QXYRTEVMEYBQSQ-MRXNPFEDSA-N 377.444 2.914 70 50 GFIA biogenic COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cccc(-n2cnnn2)c1 218491631 BBKPAIWNCHEKGT-IBGZPJMESA-N 388.431 2.960 70 50 GFIA COc1ccc2c(ccn2CCNC(=O)CCCc2nnc3ccccn23)c1 218562825 FYSRGUMGOJJUCH-UHFFFAOYSA-N 377.448 2.832 70 50 GFIA O=C(COc1ccc2occ(-c3ccsc3)c2c1)N[C@@H]1CCS(=O)(=O)C1 218268692 WPBOHXBVKWTSDT-CYBMUJFWSA-N 391.470 2.843 70 50 GFIA Cn1c(CCCCCNC(=O)c2ccc(-n3cnnn3)cc2)nc2ccccc21 218517922 NJOBREOLQDFJGN-UHFFFAOYSA-N 389.463 2.692 70 50 GFIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCc1ccccn1 217773277 OKLICIDKMKZLPZ-NRFANRHFSA-N 398.422 2.513 70 50 GFIA biogenic COc1cc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc(OC)c1O 218011189 KUOJPPRJOMDJOU-NSHDSACASA-N 390.388 2.876 70 50 GFIA biogenic COc1ccc(/C=C/C(=O)NC[C@H](O)c2ccc(OC)c(OC)c2)cc1OC 217349854 ADVBARXHBRDINK-DHINHOHASA-N 387.432 2.584 70 50 GFIA COC(=O)C[C@@H](c1c(O)c(C(=O)OC)c[nH]c1=O)c1cccc2ccccc12 218573663 MVGHCFVTCFRBCJ-OAHLLOKOSA-N 381.384 2.715 70 50 GFIA O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc2ccc(F)cc2s1 218410730 OTXQOLUDZQCSKE-AWEZNQCLSA-N 398.419 2.905 70 50 GFIA NC(=O)c1ccc(-c2nc3c([nH]2)CCN(c2ncnc4ccsc24)C3)cc1 218144563 NKKWWEBTJMDNPS-UHFFFAOYSA-N 376.445 2.743 70 50 GFIA O=C(NCCSc1ccccc1)[C@@H]1CC(=O)N(CCc2ccc(O)cc2)C1 218151714 OWKYITBSORKZAE-QGZVFWFLSA-N 384.501 2.692 70 50 GFIA O=C(NC[C@@]1(CCO)CCOC1)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 160970375 HBPNECCYACMKKM-QGZVFWFLSA-N 398.385 2.802 70 50 GFIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1ccccn1 217748593 FOIPMBFNXJRQQJ-HXUWFJFHSA-N 384.395 2.835 70 50 GFIA biogenic COc1ccccc1CN(C)C(=O)CN1CCO[C@@]2(CCc3ccccc32)C1 159475588 GRIMXGNVPRYFJH-QHCPKHFHSA-N 380.488 2.828 70 50 GFIA COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CN2CCCCC2)cc(=O)c1O 217714105 YYLNLDLFQBCTNK-QGZVFWFLSA-N 387.432 2.732 70 50 GFIA biogenic COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC3CCCCCCC3)C2=O)cc1 218332407 CXVIOTKEAYUMDH-SFHVURJKSA-N 387.480 2.735 70 50 GFIA CCOc1ccc(C(=O)CC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1OC 44086648 YUSMXUHGUIXQRJ-UHFFFAOYSA-N 395.408 2.964 70 50 GFIA CC(C)[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2n1C 218270534 DAGYCVGXGNDPKK-SFHVURJKSA-N 389.459 2.947 70 50 GFIA O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc(OS(=O)(=O)F)cc1 1875384908 JVCFUZNEEJSNSP-UHFFFAOYSA-N 393.421 2.979 70 50 GFIA Cc1nc2sc([C@@H](c3cccc(Cl)c3F)N3CCN(C)CC3)c(O)n2n1 218555277 FHKHTRDWADCQGQ-CQSZACIVSA-N 395.891 2.934 70 50 GFIA COc1ccc2c(c1)OCCN(C(=O)Nc1ccc(OS(=O)(=O)F)cc1)C2 1875382895 WEHHORYQECBSSV-UHFFFAOYSA-N 396.396 2.715 70 50 GFIA CC(=O)Nc1ccc(F)c(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 160064545 WUJCXRDNIDJAHB-UHFFFAOYSA-N 395.438 2.618 70 50 GFIA C[Si](C)(C)CCOC(=O)N1CC=C(OS(=O)(=O)C(F)(F)F)CC1 169747136 UOCDXNSBOHQLFO-UHFFFAOYSA-N 375.441 2.917 70 50 GFIA CC(C)C[C@H](NC(=O)CCCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 218430993 SHTDKJSHIDODME-KRWDZBQOSA-N 394.479 2.767 70 50 GFIA O=C(NCC1CC1)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 218264444 YEUBMJUNVCXEBV-OAHLLOKOSA-N 393.896 2.703 70 50 GFIA CC(C)c1ccc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)cc1 218390829 UUELTRVIYRUFRT-UHFFFAOYSA-N 386.448 2.613 70 50 GFIA Cc1nc2sc([C@@H](c3cc(F)c(F)c(F)c3)N3CCOCC3)c(O)n2n1 218544044 XJFPUJVALBHOKC-CYBMUJFWSA-N 384.383 2.644 70 50 GFIA O=C(N[C@H]1CCN(C2CCCCC2)C1=O)N1CCC(C2CCOCC2)CC1 160654523 SBOBWMOVCYUEOK-IBGZPJMESA-N 377.529 2.768 70 50 GFIA CN(Cc1cc(-c2ccncc2)no1)C(=O)CN1CCOc2ccccc2C1 218078191 NVXFOVDLYHUCRP-UHFFFAOYSA-N 378.432 2.590 70 50 GFIA C[C@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2n1C 218514694 KSGNWLQSQYRXJP-NSHDSACASA-N 381.827 2.693 70 50 GFIA CCCn1c(NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)nc2ccccc21 161378015 WLMGQPJQGPTVCE-NRFANRHFSA-N 391.431 2.753 70 50 GFIA COc1cccc(-n2ccc(C(=O)Nc3ccc(OS(=O)(=O)F)cc3)n2)c1 1875385458 TYUSROKOJKUAGV-UHFFFAOYSA-N 391.380 2.726 70 50 GFIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(OC(F)(F)F)cc1 218249845 YYQFRWVPVOVSFS-NSHDSACASA-N 397.305 2.891 70 50 GFIA Cn1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c(=O)c2cc(F)cc(F)c21 217766883 IJKUDPCBRUPDOU-SCLBCKFNSA-N 389.446 2.811 70 50 GFIA biogenic COc1cccc2c1ccn2CCNC(=O)C[C@H]1Oc2ccccc2NC1=O 218380231 WFEZMMDQOCKDDN-LJQANCHMSA-N 379.416 2.556 70 50 GFIA O=C(c1ccccc1-c1ccccc1F)N1CCN(c2ncc[nH]c2=O)CC1 217920482 NATHHVQFCRNKQI-UHFFFAOYSA-N 378.407 2.538 70 50 GFIA O=C(NC1CCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1)c1ccccc1 1875382256 WFTBDPXMTGZBLK-UHFFFAOYSA-N 392.452 2.674 70 50 GFIA Cc1cc(F)c(I)cc1OS(=O)(=O)C(F)(F)F 169807544 UZTWSZOWCIJNFG-UHFFFAOYSA-N 384.088 2.967 70 50 GFIA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2nccnc2c1 218351345 BZAZDFSOUNRBEE-INIZCTEOSA-N 379.372 2.887 70 50 GFIA CC(C)c1nc2ccccc2n1CCNC(=O)CN1C(=O)CC2(CCCC2)C1=O 218298358 YFRQNTJMAOQWAS-UHFFFAOYSA-N 396.491 2.595 70 50 GFIA CCn1nc(C(=O)N2C[C@H](c3ccc(C)cc3)[C@@H](NC(=O)C3CC3)C2)cc1C 216880797 PWIQHDNOTOXOCO-QUCCMNQESA-N 380.492 2.654 70 50 GFIA Cc1cccc(-c2n[nH]cc2C(=O)N[C@@H](Cc2ccncc2)C2CC(O)C2)c1 218712815 XWGMDEIIBJYBRA-QLOJAFMTSA-N 376.460 2.892 70 50 GFIA O=C(NCC1CC1)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 218264517 YEUBMJUNVCXEBV-HNNXBMFYSA-N 393.896 2.703 70 50 GFIA Cc1nnnn1-c1ccccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 218326694 DZDFNDCDTQQSEY-UHFFFAOYSA-N 387.447 2.867 70 50 GFIA O=C(NCc1nnc(-c2ccccc2)s1)Nc1cnn(C[C@H]2CCCO2)c1 161314158 NKYZSYFNVSOPEI-OAHLLOKOSA-N 384.465 2.902 70 50 GFIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1cccc(-c2nc[nH]n2)c1 218530484 DBWUSTHOQMXJFZ-KRWDZBQOSA-N 393.447 2.682 70 50 GFIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCc2ccncc2)n1 218427976 GFGJOTVYQZRVEJ-HXUWFJFHSA-N 375.476 2.871 70 50 GFIA CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 159824997 YSUOXTLWXWKDQU-ZWKOTPCHSA-N 385.464 2.779 70 50 GFIA CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 159824603 YSUOXTLWXWKDQU-MSOLQXFVSA-N 385.464 2.779 70 50 GFIA O=c1cc(CN2CCCCC2)oc(CN2CCN(c3ccccc3)CC2)c1O 218364482 TWVHZNFNCSNMBT-UHFFFAOYSA-N 383.492 2.654 70 50 GFIA Cc1ccc(-c2noc([C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@H]5C4)n2)cc1S(=O)(=O)Cl 250919886 MBPNXHYAQOPQEP-CAFXUDQZSA-N 394.836 2.638 70 50 GFIA COCCCn1c(C)cc(C)c(C(=O)NCCc2c[nH]c3ccccc23)c1=O 218236073 CBAUIEJZZDCZLG-UHFFFAOYSA-N 381.476 2.955 70 50 GFIA COc1ccc(C(=O)COc2coc(CN3CCCCC3)cc2=O)cc1OC 218317588 VNZVIJKNDWIESZ-UHFFFAOYSA-N 387.432 2.905 70 50 GFIA COc1ccc(CN2CCN(C(=O)[C@@H]3CCc4ccccc4C3)CC2=O)cc1 218763096 JESITICDDMIBKL-HXUWFJFHSA-N 378.472 2.671 70 50 GFIA C[Si](C)(C)c1c(Br)cncc1OS(=O)(=O)C(F)(F)F 169794823 DFTOVRWLXREECB-UHFFFAOYSA-N 378.242 2.618 70 50 GFIA C[C@H](O)c1cc2n(n1)CCCN(CCC(=O)NCc1cccc(Cl)c1)C2 217428373 WBQCBADOCBBSRN-AWEZNQCLSA-N 376.888 2.502 70 50 GFIA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCN(c2ccccc2)C(=O)C1 217529389 QMYWAXIVHAYGAZ-UHFFFAOYSA-N 386.835 2.529 70 50 GFIA COCCn1c([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc21 218355375 KQOGEMOVZMKOLO-ZDUSSCGKSA-N 394.431 2.505 70 50 GFIA Cn1ccnc1C(=O)c1cccc(NC(=O)CC2(n3cccc3)CCOCC2)c1 218259545 PXLFSKUDEFHRFV-UHFFFAOYSA-N 392.459 2.987 70 50 GFIA COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CN2CCCCC2)cc(=O)c1O 217714200 YYLNLDLFQBCTNK-KRWDZBQOSA-N 387.432 2.732 70 50 GFIA biogenic O=c1cc(CN2CCCCC2)oc(CN2CCO[C@H](c3ccccc3)C2)c1O 218349295 PIQUZNWWIFFQTB-FQEVSTJZSA-N 384.476 2.905 70 50 GFIA COc1cccc2c1OCCN(C(=O)Nc1ccc(OS(=O)(=O)F)cc1)C2 1875382829 SYDQRFGMRSLFPD-UHFFFAOYSA-N 396.396 2.715 70 50 GFIA CCNC(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 160057780 QKKOCWWJGWAYOP-QZTJIDSGSA-N 385.464 2.827 70 50 GFIA O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2c(Cl)cccc21 218246548 DRIPORSUGCFHJY-UHFFFAOYSA-N 387.867 2.730 70 50 GFIA COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)CC3 217715002 BHHBRQGGBBLGMK-AWEZNQCLSA-N 393.443 2.703 70 50 GFIA biogenic COCCCn1c(C)cc(C)c(C(=O)N[C@@H](C)c2nc3ccccc3n2C)c1=O 218440812 KUEQGELYVVDWKW-INIZCTEOSA-N 396.491 2.879 70 50 GFIA COc1ccc(CCNC(=O)Cn2ccc3c(NC(C)=O)cccc32)cc1OC 217805830 WOLHYTDWWXLDET-UHFFFAOYSA-N 395.459 2.976 70 50 GFIA biogenic COc1ccc([C@H](c2sc3ncnn3c2O)N2CCCC2)c(OC)c1OC 218528757 XFHAPSRIBQMEHB-CYBMUJFWSA-N 390.465 2.707 70 50 GFIA COc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1 217444064 NMGOVUSWQPVCMX-FYQPLNBISA-N 390.439 2.530 70 50 GFIA C[C@H]1C[C@H](NC(=O)N2CCN(c3ccccn3)CC2)CN1Cc1ccccc1 160289096 OHTRAPYUAANSMJ-ICSRJNTNSA-N 379.508 2.576 70 50 GFIA O=C(COc1coc(CN2CCCCCC2)cc1=O)N1CCc2ccccc2C1 218379809 NLGRTZNGDXPBCU-UHFFFAOYSA-N 396.487 2.980 70 50 GFIA O=C1N[C@@H](CCC(=O)N2CCCC[C@H]2c2cccnc2)C(=O)N1Cc1ccco1 218113788 SXENBIPTXNGPEQ-ROUUACIJSA-N 396.447 2.629 70 50 GFIA biogenic Cc1ccc(N2CC[C@@H](NC(=O)c3c(-c4ccccn4)noc3C)C2=O)cc1 159817331 QFZCXOGNBQXLNJ-QGZVFWFLSA-N 376.416 2.889 70 50 GFIA COC(=O)[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 217611116 XRBJGTBSGCABGI-CRAIPNDOSA-N 386.492 2.873 70 50 GFIA biogenic COCCNC(=O)c1cnn(-c2ccccc2Br)c1-n1cccc1 218191084 AIGALNLGNBVFCE-UHFFFAOYSA-N 389.253 2.802 70 50 GFIA COc1cc2c(cc1OC)CN(C(=O)[C@@H](C)n1cnc3ccccc3c1=O)CC2 218062886 VVWBHBHGQHTYIE-CQSZACIVSA-N 393.443 2.560 70 50 GFIA biogenic COc1ccc2c(O)c(C(=O)Nc3ccc(Cn4cncn4)cc3)cnc2c1 218421405 OQKJMWJPHPTGHO-UHFFFAOYSA-N 375.388 2.841 70 50 GFIA Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3N(C)S(C)(=O)=O)cn2)n1 161446301 UVJXQEDDZLULLW-UHFFFAOYSA-N 399.476 2.532 70 50 GFIA COc1ccc(-c2csc3ncc(C(=O)NCc4ccco4)c(=O)n23)cc1 218363645 ZMXNFPNPGNXGJF-UHFFFAOYSA-N 381.413 2.955 70 50 GFIA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cccc(-n2cnnn2)c1 218491706 BBKPAIWNCHEKGT-LJQANCHMSA-N 388.431 2.960 70 50 GFIA O=C(N[C@@H]1CCOC[C@H]1OCC1CC1)c1cc(-n2cccn2)ccc1Cl 218063896 FPOKFAHZPVHDCY-QZTJIDSGSA-N 375.856 2.840 70 50 GFIA COCCn1c(C)cc(C)c(C(=O)Nc2cnc3cc(OC)ccc3c2)c1=O 217938879 HBUASEKMLQUDKM-UHFFFAOYSA-N 381.432 2.921 70 50 GFIA biogenic CC(C)(C)N1C[C@@H](C(=O)Nc2n[nH]c(CCc3c[nH]c4ccccc34)n2)CC1=O 218477328 BTYJKCDQBNDQKP-AWEZNQCLSA-N 394.479 2.657 70 50 GFIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCc1cccnc1 217680310 JOGIPOSOJAQTLZ-OAQYLSRUSA-N 398.422 2.513 70 50 GFIA biogenic COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)CC3 217714932 BHHBRQGGBBLGMK-CQSZACIVSA-N 393.443 2.703 70 50 GFIA biogenic COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(-c2nc[nH]n2)cc1 218299838 FKYNTNRTPQGVTP-HNNXBMFYSA-N 394.387 2.729 70 50 GFIA O=C(CCc1ccncc1)N1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 218575679 RPDVDTPRRUVWNL-NRFANRHFSA-N 376.460 2.529 70 50 GFIA O=C([C@H](c1ccccc1)N1CCN(Cc2ccncc2)CC1)N1CCCCC1 161210095 FPFMHDPUORECCR-QFIPXVFZSA-N 378.520 2.953 70 50 GFIA C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccn3)CC2)CN1Cc1ccccc1 160289344 OHTRAPYUAANSMJ-AZUAARDMSA-N 379.508 2.576 70 50 GFIA O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1cccc2ncccc12 218391033 SRYFPKPZFXXRFK-KRWDZBQOSA-N 378.388 2.667 70 50 GFIA O=C(CCNC(=O)c1cnccn1)Nc1nc(-c2c[nH]c3ccccc23)cs1 218542976 VUANLPHOHVYXHT-UHFFFAOYSA-N 392.444 2.840 70 50 GFIA COCCn1c([C@H](C)NC(=O)c2cc(-c3ccccn3)n[nH]2)nc2ccccc21 218173354 SQCBIQWJMQCANZ-AWEZNQCLSA-N 390.447 2.959 70 50 GFIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCc1ccco1 217876994 NBMGTKIYKWNRSE-FQEVSTJZSA-N 387.395 2.711 70 50 GFIA biogenic CC(=O)N1CC(Nc2ccc(C(=O)N3CCc4ccccc4C3)cc2)=CC1=O 218560097 GWCYISSXORGXLP-UHFFFAOYSA-N 375.428 2.570 70 50 GFIA COC(=O)[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 217611022 XRBJGTBSGCABGI-QAPCUYQASA-N 386.492 2.873 70 50 GFIA biogenic COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1c(O)c(C(=O)OC)c[nH]c1=O 218014676 QEDGMIIFOLXLII-CYBMUJFWSA-N 397.383 2.822 70 50 GFIA biogenic Cn1cnc(-c2ccc(NC(=O)N3CCCN(CC(F)(F)F)CC3)cc2)n1 160830994 KOIJNIADJSKVCC-UHFFFAOYSA-N 382.390 2.584 70 50 GFIA O=c1cc(CN2CCCCC2)oc(CN2CCO[C@@H](c3ccccc3)C2)c1O 218349379 PIQUZNWWIFFQTB-HXUWFJFHSA-N 384.476 2.905 70 50 GFIA CC(C)CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 217831250 OSZUNVLVLYPUSE-HXUWFJFHSA-N 377.444 2.964 70 50 GFIA biogenic COc1ccc([C@@H](NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C(C)C)cc1 217705004 OOQDAHUIVGKIBS-ICSRJNTNSA-N 395.459 2.649 70 50 GFIA biogenic CCOC(=O)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 73316712 OQLOPRPWPANPIE-UHFFFAOYSA-N 376.392 2.915 70 50 GFIA O=C(CSc1ccccn1)N1CCc2[nH]c(-c3cccc(CO)c3)nc2C1 218071391 VLBIBQWBSZLUKH-UHFFFAOYSA-N 380.473 2.641 70 50 GFIA O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 217694731 BFGFHFHYJJEWTJ-WIRSXHRWSA-N 398.846 2.531 70 50 GFIA Cc1ccc(NC(=O)C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cn1 160431439 HVSIOSGOSOUUHK-UHFFFAOYSA-N 388.471 2.826 70 50 GFIA CC(=O)c1ccc2c(c1O)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)CC(=O)O2 217866614 MRRDYOQDKITMGR-GFCCVEGCSA-N 393.351 2.606 70 50 GFIA biogenic Cn1c(CCCCCNC(=O)c2ccccc2-n2cnnn2)nc2ccccc21 218563983 VEOBNAPOPLJXEZ-UHFFFAOYSA-N 389.463 2.692 70 50 GFIA Cc1ccc(-c2noc([C@H]3[C@H]4C(=O)O[C@H]5C[C@H]3C[C@@H]54)n2)cc1S(=O)(=O)Cl 250919889 MBPNXHYAQOPQEP-GJKBLCTNSA-N 394.836 2.638 70 50 GFIA Cc1c(CNC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 160868711 WFJADJOBRWIGIK-CYBMUJFWSA-N 388.449 2.619 70 50 GFIA O=C([C@@H](c1ccccc1)N1CCN(Cc2ccncc2)CC1)N1CCCCC1 161210231 FPFMHDPUORECCR-JOCHJYFZSA-N 378.520 2.953 70 50 GFIA C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)cc4cccnc34)cn2)CCO1 160588741 DXXCYRKTEZVXJL-AWEZNQCLSA-N 380.423 2.924 70 50 GFIA CN1CCC(C(=O)NCc2nc(-c3ccccc3)n[nH]2)(c2ccccc2)CC1 217588844 AASVZSSEQLJXPB-UHFFFAOYSA-N 375.476 2.752 70 50 GFIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3ccccc3n(CC(C)C)c2=O)o1 217660714 VGMRGAXJAAMSIG-HNNXBMFYSA-N 396.443 2.632 70 50 GFIA biogenic O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCCc1ccccn1 218153961 UUGCTFJMCXTZGO-UHFFFAOYSA-N 390.468 2.947 70 50 GFIA COC(=O)C[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)c1c(O)cc(C)oc1=O 218045721 FJLYUXXBDAMBQL-AWEZNQCLSA-N 383.400 2.807 70 50 GFIA biogenic O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1cccc2ncccc12 218277222 QFTUJYBFORZEIG-SFHVURJKSA-N 392.390 2.823 70 50 GFIA COc1cc(OC)c(OC)c([C@H](c2sc3ncnn3c2O)N2CCCC2)c1 218598372 PTFPOAAKDNJCOH-CQSZACIVSA-N 390.465 2.707 70 50 GFIA C[C@@H](O)c1cc2n(n1)CCCN(CCC(=O)NCc1cccc(Cl)c1)C2 217428288 WBQCBADOCBBSRN-CQSZACIVSA-N 376.888 2.502 70 50 GFIA CCn1ncnc1-c1ccc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)cc1 1875384799 IRYALRQHMHGVDS-UHFFFAOYSA-N 390.396 2.810 70 50 GFIA O=C(CCc1cccnc1)N1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 218664689 BDSJVXWELWCUAV-NRFANRHFSA-N 376.460 2.529 70 50 GFIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(CN3CCCCC3)cc1)C2 218754066 NDNHVAIDWGMVRN-QGZVFWFLSA-N 382.508 2.968 70 50 GFIA Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)N[C@H](CO)Cc2ccccc2)[nH]n1 218369283 DEANLEAVWXKETI-KRWDZBQOSA-N 381.480 2.804 70 50 GFIA Cc1ccccc1C(=O)N1CCC(C(=O)N2CCC(c3cc[nH]n3)CC2)CC1 218586335 HBWSAHJDYHXNSD-UHFFFAOYSA-N 380.492 2.977 70 50 GFIA CC(=O)Nc1ccc(NC(=O)c2c(C)cc(C)n(C[C@H]3CCCO3)c2=O)cc1 218459926 KQJDNTDJVKDFQT-GOSISDBHSA-N 383.448 2.855 70 50 GFIA CC(=O)c1ccc2c(c1O)[C@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)CC(=O)O2 217866527 MRRDYOQDKITMGR-LBPRGKRZSA-N 393.351 2.606 70 50 GFIA biogenic COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1c(O)c2ccccc2oc1=O 217845114 FLCSWJLQESMLFM-CYBMUJFWSA-N 398.367 2.931 70 50 GFIA biogenic COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1c(O)c2ccccc2oc1=O 217918088 XYZLLYXWSVHKAW-OAHLLOKOSA-N 384.384 2.695 70 50 GFIA biogenic COc1ccccc1[Si](Cl)(c1ccccc1OC)c1ccccc1OC 169818544 GIEJZDJCHLHKPP-UHFFFAOYSA-N 384.935 2.918 70 50 GFIA COc1ccc2cc([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)n(C)c2c1 217714300 TZNINORNLZSCNK-CYBMUJFWSA-N 379.368 2.717 70 50 GFIA biogenic O=C(CN1CCC(c2ccccc2)CC1)N1CCn2nc([C@@H](O)C3CC3)cc2C1 218634738 DNBQKLWXDJFQRR-QHCPKHFHSA-N 394.519 2.548 70 50 GFIA O=C(NCc1ccc(Cl)cc1)N[C@@H]1COCC[C@H]1OCc1ccccn1 218519148 RSCAVDRYMVGNHB-QZTJIDSGSA-N 375.856 2.909 70 50 GFIA COC(=O)C[C@@H](c1c(O)cc(C)oc1=O)c1cc2cccc3c2n(c1=O)CCC3 217998952 CLQLJOHXQPMBEU-OAHLLOKOSA-N 395.411 2.610 70 50 GFIA biogenic C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccccn3)CC2)CN1Cc1ccccc1 160288976 OHTRAPYUAANSMJ-QUCCMNQESA-N 379.508 2.576 70 50 GFIA COCCn1c(CCNC(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21 218546861 PYTZCPSSODRTHS-UHFFFAOYSA-N 381.480 2.647 70 50 GFIA Cc1nc2sc([C@H](c3ccc(F)c(Cl)c3)N3CCN(C)CC3)c(O)n2n1 218531948 IRPUIUIWXBYCNK-AWEZNQCLSA-N 395.891 2.934 70 50 GFIA COC(=O)C[C@@H](c1ccc(OC)c(CO)c1)c1c(O)c2ccccc2oc1=O 217918153 XYZLLYXWSVHKAW-HNNXBMFYSA-N 384.384 2.695 70 50 GFIA biogenic COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1cc2c(cc1O)OCO2 218117608 BQEWQJDZOGMUEF-LLVKDONJSA-N 376.361 2.539 70 50 GFIA biogenic CS(=O)(=O)c1ccc(C2(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)CCCCC2)cc1 218255930 QTEZFFXUUAGBEL-SQNIBIBYSA-N 377.506 2.586 70 50 GFIA CC(C)c1n[nH]c(CC2CCN(Cc3ccc(OS(=O)(=O)F)cc3)CC2)n1 1875387740 VOMPFNVPPLEGBY-UHFFFAOYSA-N 396.488 2.976 70 50 GFIA O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCc1ccncc1 218270636 FOVXQQYYYJCGNO-UHFFFAOYSA-N 376.441 2.904 70 50 GFIA Cc1cc(=O)[nH]c(CCNC(=O)c2ccc(CSc3ccccn3)cc2)n1 218048963 JMZBRVXFSNHMFS-UHFFFAOYSA-N 380.473 2.738 70 50 GFIA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2CCCN2[C@H]3C(=O)c2ccc(F)cc2)cc1 217602277 QGOXTTHFVIUWDE-FUMNGEBKSA-N 392.430 2.969 70 50 GFIA Cn1ccc2c(NC(=O)CC[C@@H]3NC(=O)N(Cc4ccco4)C3=O)cccc21 218322802 CZKBWUZYYFXVHI-INIZCTEOSA-N 380.404 2.611 70 50 GFIA CCOC(=O)Cc1csc(NC(=O)c2cnc3ccc(OC)cc3c2O)n1 218404700 DLNWURXSBUJWQI-UHFFFAOYSA-N 387.417 2.763 70 50 GFIA CN(c1ccccc1NC(=O)c1ccn(-c2cccc(F)c2)n1)S(C)(=O)=O 161476810 FWASEEFTWXLRNV-UHFFFAOYSA-N 388.424 2.660 70 50 GFIA Cc1c(CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c(=O)oc2cc(O)ccc12 217774384 CHKJKCXVUKBAFN-HNAYVOBHSA-N 384.476 2.730 70 50 GFIA biogenic COCc1nc(C2CC(N)C2)cc(N(C)Cc2cnn(-c3ccccc3)c2)n1 218085374 NOZYBJRROIZBNH-UHFFFAOYSA-N 378.480 2.650 70 50 GFIA CCCN(CC)c1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cn1 160772205 BQRMABCEANEJMR-SFHVURJKSA-N 384.480 2.832 70 50 GFIA O=C(Nc1nc2ccccc2n1C1CCCC1)c1cn(C2CCNCC2)nn1 160531136 GJJYVQRZNNAWGW-UHFFFAOYSA-N 379.468 2.920 70 50 GFIA COc1ccc(CN2CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2=O)cc1 218763123 JESITICDDMIBKL-FQEVSTJZSA-N 378.472 2.671 70 50 GFIA COc1ccc(NC(=O)CCc2c(C)[nH]c3c4c(F)cccc4nn3c2=O)cn1 218362467 OMYZOVWOPVWYEG-UHFFFAOYSA-N 395.394 2.598 70 50 GFIA COc1ccc(NC(=O)CS[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cn1 218613241 VAIGZUCQKQGSMU-SFHVURJKSA-N 390.417 2.648 70 50 GFIA COc1cccc2c1ccn2CCNC(=O)C[C@@H]1Oc2ccccc2NC1=O 218380144 WFEZMMDQOCKDDN-IBGZPJMESA-N 379.416 2.556 70 50 GFIA O=C(CN1CCC(c2ccccc2)CC1)N1CCn2nc([C@H](O)C3CC3)cc2C1 218634811 DNBQKLWXDJFQRR-HSZRJFAPSA-N 394.519 2.548 70 50 GFIA CC(C)OCc1ccccc1CC(=O)Nc1cncc(OS(=O)(=O)F)c1 1875382659 LCVBSTNSZPGXPR-UHFFFAOYSA-N 382.413 2.781 70 50 GFIA O=C(c1cnc2ccc(Cl)cc2c1O)N1CCN(CCc2ccncc2)CC1 218121075 MILXUFCPECUODX-UHFFFAOYSA-N 396.878 2.989 70 50 GFIA O=C(NCc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 217694804 BFGFHFHYJJEWTJ-WKRCXCSHSA-N 398.846 2.531 70 50 GFIA COc1ccc2cc([C@@H]3CC(=O)Oc4ccc(C(C)=O)c(O)c43)c(=O)n(C)c2c1 217835999 GDXCCUJYXZCUFI-HNNXBMFYSA-N 393.395 2.896 70 50 GFIA biogenic O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1ccncc1 217694284 IAHRBRIXJLLXGL-HXUWFJFHSA-N 384.395 2.835 70 50 GFIA biogenic O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1Cc2ccccc2S(=O)(=O)N1 216997327 VYKMFLXOHADXOX-SFHVURJKSA-N 384.501 2.518 70 50 GFIA COC(=O)C[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)c1c(O)cc(C)oc1=O 218045648 FJLYUXXBDAMBQL-CQSZACIVSA-N 383.400 2.807 70 50 GFIA biogenic O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCc1ccccn1 217773200 OKLICIDKMKZLPZ-OAQYLSRUSA-N 398.422 2.513 70 50 GFIA biogenic O=S(=O)(NCCNc1nccc(C(F)(F)F)n1)c1ccc(F)c(Cl)c1 159600909 YTIAYBSBNQRXMH-UHFFFAOYSA-N 398.769 2.678 70 50 GFIA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)C[C@@H](c1ccccc1)c1ccco1)CC2 217118670 XYLNGEMVTPYYLM-SFHVURJKSA-N 377.444 2.821 70 50 GFIA CCOC(=O)Cc1csc(NC(=O)c2cnc3c(OC)cccc3c2O)n1 218282818 ILHPOQYVDQDPLB-UHFFFAOYSA-N 387.417 2.763 70 50 GFIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1nccs1 217687014 WBCLBTZWNWUXSZ-KRWDZBQOSA-N 390.424 2.897 70 50 GFIA biogenic Cc1cc(O)cc(=O)n1CCCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 218456285 QJHDHVZJZUNXCS-SFHVURJKSA-N 380.448 2.883 70 50 GFIA O=C(c1cnc2c(Cl)cccc2c1O)N1CCN(CCc2ccncc2)CC1 218388758 DERBIGUGHRXYTK-UHFFFAOYSA-N 396.878 2.989 70 50 GFIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)c1nc(C(C)C)cs1 218144474 UMHJXMKDJXZNAI-ZBFHGGJFSA-N 379.482 2.975 70 50 GFIA COc1ccc(-c2[nH]ncc2C(=O)NCCc2nc3ccccc3n2C)cc1 218442857 LVGAKFVWGFYOKH-UHFFFAOYSA-N 375.432 2.945 70 50 GFIA O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1cc(COc2ccccc2)cs1 216995364 OQKLNXWUUSOLNA-CQSZACIVSA-N 377.487 2.892 70 50 GFIA Cn1cnc2cc(C(=O)Nc3ccc(-n4cncn4)c(C(F)(F)F)c3)cnc21 160300238 LBGNOAGGOVHYSC-UHFFFAOYSA-N 387.325 2.820 70 50 GFIA CCn1nc(C)c(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1C 159477135 ABOATHZZJJCZPK-UHFFFAOYSA-N 396.944 2.680 70 50 GFIA O=C(Nc1ccc(F)cc1Br)c1cncc(OS(=O)(=O)F)c1 1875385308 QOJSFUFEERMBFV-UHFFFAOYSA-N 393.165 2.829 70 50 GFIA O=C(CCCCCN1C(=O)C=CC1=O)Oc1c(F)c(F)c(F)c(F)c1F 100008646 CIQYBTAUACRWKP-UHFFFAOYSA-N 377.265 2.773 70 50 GFIA O=C(Nc1cccc(S(=O)(=O)F)c1)Nc1ccccc1S(=O)(=O)F 100855995 WWWJHPNLTOIKOB-UHFFFAOYSA-N 376.362 2.647 70 50 GFIA O=C(c1cccc(N2CCOCC2)c1)N(Cc1ccncc1)C[C@H]1CCCO1 218204350 NVRLSEXONKZTFA-OAQYLSRUSA-N 381.476 2.740 70 50 GFIA Cc1nc2sc([C@H](c3cccc(OC(F)F)c3)N3CCOCC3)c(O)n2n1 218435671 IQBWIWQYMZIVHD-ZDUSSCGKSA-N 396.419 2.828 70 50 GFIA COc1ccc(/C=C/C(=O)NC[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC 217349931 ADVBARXHBRDINK-VGZDNEPHSA-N 387.432 2.584 70 50 GFIA COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@@H](C)CO 217895109 GROIRGFETZAWAX-AWEZNQCLSA-N 381.428 2.898 70 50 GFIA biogenic O=C(Cc1ccccc1OCc1ccccc1)N1CCn2nc(CO)cc2C1 218547281 OYUXHJOWBTZITJ-UHFFFAOYSA-N 377.444 2.539 70 50 GFIA CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(O)cc1 217984574 POHIEKSTRFVMPO-NRFANRHFSA-N 379.416 2.718 70 50 GFIA biogenic CC(C)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2ccccc2n1C 218256429 IPLIGCNSLJDOTI-FQEVSTJZSA-N 389.459 2.866 70 50 GFIA COc1cc2c(c(OC)c1OC)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 218078122 NJNHIWIQVRYEOC-LBPRGKRZSA-N 381.384 2.995 70 50 GFIA biogenic COc1ccc(C(=O)N[C@H](CO)Cc2ccccc2)cc1-n1nc(C)cc1C 218350225 MWKWXSKCNOMRSL-IBGZPJMESA-N 379.460 2.831 70 50 GFIA Cc1cc(F)c(OS(=O)(=O)C(F)(F)F)cc1I 259431633 LZKPAAZRCQBXJM-UHFFFAOYSA-N 384.088 2.967 70 50 GFIA Cc1c(CNC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)oc2ccccc12 160868827 WFJADJOBRWIGIK-ZDUSSCGKSA-N 388.449 2.619 70 50 GFIA COC(=O)C[C@H](c1c(O)cc(C)oc1=O)c1cc2cccc3c2n(c1=O)CCC3 217998871 CLQLJOHXQPMBEU-HNNXBMFYSA-N 395.411 2.610 70 50 GFIA biogenic CC(C)[C@H](NC(=O)c1ccccc1-n1cnnn1)c1nc2ccccc2n1C 218518025 UBIYSBFRSPLWAV-SFHVURJKSA-N 375.436 2.676 70 50 GFIA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2nccnc2c1 218351256 BZAZDFSOUNRBEE-MRXNPFEDSA-N 379.372 2.887 70 50 GFIA COc1ccc([C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C(C)C)cc1 217704917 OOQDAHUIVGKIBS-AZUAARDMSA-N 395.459 2.649 70 50 GFIA biogenic CC(C)CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 217724039 UBKHINSCDJVIQK-HXUWFJFHSA-N 377.444 2.964 70 50 GFIA biogenic CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 159824880 YSUOXTLWXWKDQU-QZTJIDSGSA-N 385.464 2.779 70 50 GFIA COc1ccc2cc([C@@H]3CC(=O)Oc4ccc(C(C)=O)c(O)c43)c(=O)[nH]c2c1 217725032 MDSWFWNVVYWYBM-AWEZNQCLSA-N 379.368 2.886 70 50 GFIA biogenic COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4ccc(C(C)=O)c(O)c43)cc2c1 217864217 WBNBTYODZUIJAO-AWEZNQCLSA-N 379.368 2.886 70 50 GFIA biogenic O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc2ccc(F)cc2s1 218427137 JMJOIHMDHHWQPC-ZDUSSCGKSA-N 384.392 2.515 70 50 GFIA CCCn1c(NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)nc2ccccc21 161377888 WLMGQPJQGPTVCE-OAQYLSRUSA-N 391.431 2.753 70 50 GFIA Cc1ccc(OCc2occc2C(=O)N2CCN(c3cnccn3)CC2)cc1 217027118 XNCALIHIJLFXIS-UHFFFAOYSA-N 378.432 2.919 70 50 GFIA Cc1nn2cccnc2c1C(=O)NS(=O)(=O)c1ccc(C(C)(C)C)s1 160496592 XCIHSOGIJVTCKK-UHFFFAOYSA-N 378.479 2.515 70 50 GFIA O=C(OCc1ccccc1)[C@H]1[C@@H]2C(=O)N(Cc3ccc(F)cc3)C[C@@]23C=C[C@H]1O3 217652865 RSGURPYXAJJYPG-URFJDIBFSA-N 393.414 2.851 70 50 GFIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(OC(F)(F)F)cc1 218249790 YYQFRWVPVOVSFS-LLVKDONJSA-N 397.305 2.891 70 50 GFIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1cccnc1 217794282 XYEHSPWWGMIASD-FQEVSTJZSA-N 384.395 2.835 70 50 GFIA biogenic COCCn1c(CNC(=O)Cc2ccc3c(c2)OCCCO3)nc2ccccc21 218225832 ABGFKUWGPAFPHX-UHFFFAOYSA-N 395.459 2.703 70 50 GFIA O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)N1CCC(C2CCOCC2)CC1 160654671 SBOBWMOVCYUEOK-LJQANCHMSA-N 377.529 2.768 70 50 GFIA O=C(CCc1nc2ccccc2[nH]1)NCCc1csc(-c2ncccn2)n1 218304080 AENQUPOSPOFWNQ-UHFFFAOYSA-N 378.461 2.768 70 50 GFIA Cc1ccn(-c2ccccc2NC(=O)c2ccnc(N3CCN(C)CC3)c2)n1 161294724 GGOIANSXNYNTDA-UHFFFAOYSA-N 376.464 2.580 70 50 GFIA COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1c(O)c2ccccc2oc1=O 217845187 FLCSWJLQESMLFM-ZDUSSCGKSA-N 398.367 2.931 70 50 GFIA biogenic O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCCc1ccncc1 218177957 HXOGQFPYOUHGPN-UHFFFAOYSA-N 390.468 2.947 70 50 GFIA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)N(C)Cc2cc(-c3ccccc3)on2)n1 217152329 BYZYJYOLWQBRMF-ZDUSSCGKSA-N 384.461 2.873 70 50 GFIA C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CCC4(CCC4)C3)cc2F)C[C@@H](C)O1 159438486 YZIQIPKZDPYAIP-GASCZTMLSA-N 389.471 2.780 70 50 GFIA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-n2cnnc2)c1 218263116 ILJKHNMYWIXDQB-INIZCTEOSA-N 394.387 2.525 70 50 GFIA Cc1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)c(=O)[nH]c1C 218733666 XZNNVDQJHKJUMZ-MKJPBZQASA-N 377.444 2.782 70 50 GFIA COc1ccc2cc([C@H]3CC(=O)Oc4ccc(C(C)=O)c(O)c43)c(=O)[nH]c2c1 217725121 MDSWFWNVVYWYBM-CQSZACIVSA-N 379.368 2.886 70 50 GFIA biogenic CC[C@@H](C)[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O 217864116 FLMRIIGSFMEMHE-HBGVWJBISA-N 380.488 2.777 70 50 GFIA CC(C)CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 217724138 UBKHINSCDJVIQK-FQEVSTJZSA-N 377.444 2.964 70 50 GFIA biogenic CN(Cc1ccc(OS(=O)(=O)F)cc1)[C@H]1CCN(c2ccccc2F)C1=O 1875387591 PANBYDHQRFIIQW-KRWDZBQOSA-N 396.415 2.656 70 50 GFIA Cn1c(C(=O)NCCn2c(=O)c(O)nc3ccccc32)cc2ccc(Cl)cc21 218194089 WENDRJRCQRBEDA-UHFFFAOYSA-N 396.834 2.677 70 50 GFIA C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCC4(CCC4)C3)cc2F)C[C@@H](C)O1 159438783 YZIQIPKZDPYAIP-HUUCEWRRSA-N 389.471 2.780 70 50 GFIA CC(=O)N1CC(Nc2cc(Br)c(O)c(Br)c2)=CC1=O 218519996 QIKJFLATEHAOMN-UHFFFAOYSA-N 390.031 2.602 70 50 GFIA O=C(NC[C@]1(CCO)CCOC1)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 160970244 HBPNECCYACMKKM-KRWDZBQOSA-N 398.385 2.802 70 50 GFIA Cc1c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCCC2)c2cc(O)ccc2n1C 218541056 OUTLTAXRVNGXFN-CGRMTHRGSA-N 383.492 2.564 70 50 GFIA CC(C)(C)N1C[C@H](C(=O)Nc2n[nH]c(CCc3c[nH]c4ccccc34)n2)CC1=O 218477243 BTYJKCDQBNDQKP-CQSZACIVSA-N 394.479 2.657 70 50 GFIA Cc1ccc(N2CC[C@H](NC(=O)c3c(-c4ccccn4)noc3C)C2=O)cc1 159817194 QFZCXOGNBQXLNJ-KRWDZBQOSA-N 376.416 2.889 70 50 GFIA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-n2cnnc2)c1 218263048 ILJKHNMYWIXDQB-MRXNPFEDSA-N 394.387 2.525 70 50 GFIA Cn1cnc(-c2cccc(NC(=O)NCCNC(=O)c3ccccc3Cl)c2)n1 161397131 OGLGNWBQLUYWMF-UHFFFAOYSA-N 398.854 2.687 70 50 GFIA Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1)C2=O 159416705 SXBRAVPNPXGHLK-NUJGCVRESA-N 394.471 2.650 70 50 GFIA C[C@@H](C(=O)N1CCN(CCOc2ccccc2Cl)CC1)C1CCOCC1 161220319 KOPWQQRXDMWNSZ-MRXNPFEDSA-N 380.916 2.926 70 50 GFIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1ccncc1 217694365 IAHRBRIXJLLXGL-FQEVSTJZSA-N 384.395 2.835 70 50 GFIA biogenic COc1ccc2cc([C@H]3CC(=O)Oc4ccc(C(C)=O)c(O)c43)c(=O)n(C)c2c1 217836069 GDXCCUJYXZCUFI-OAHLLOKOSA-N 393.395 2.896 70 50 GFIA biogenic CCNC(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 160057495 QKKOCWWJGWAYOP-MSOLQXFVSA-N 385.464 2.827 70 50 GFIA COC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1c(O)c(C(=O)OC)c[nH]c1=O 218014761 QEDGMIIFOLXLII-ZDUSSCGKSA-N 397.383 2.822 70 50 GFIA biogenic COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1cc2c(cc1O)OCO2 218071432 AHIWLBZOEKLGMM-LBPRGKRZSA-N 390.388 2.842 70 50 GFIA biogenic O=C(NCC(=O)N1CCOC2(CCCCCC2)C1)c1ccc(Br)o1 160480287 JCUHXRJAEOVPMU-UHFFFAOYSA-N 399.285 2.724 70 50 GFIA O=C(CCc1ccncc1)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 218575751 RPDVDTPRRUVWNL-OAQYLSRUSA-N 376.460 2.529 70 50 GFIA COc1cccc2c1ccn2CCNC(=O)c1cc(-n2cnnn2)ccc1Cl 218175859 CXPMUTYHTGGTKV-UHFFFAOYSA-N 396.838 2.709 70 50 GFIA CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(O)cc1 217984658 POHIEKSTRFVMPO-OAQYLSRUSA-N 379.416 2.718 70 50 GFIA biogenic C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccn3)CC2)CN1Cc1ccccc1 160289211 OHTRAPYUAANSMJ-UYAOXDASSA-N 379.508 2.576 70 50 GFIA O=C(NCc1nnc(-c2ccccc2)s1)Nc1cnn(C[C@@H]2CCCO2)c1 161314032 NKYZSYFNVSOPEI-HNNXBMFYSA-N 384.465 2.902 70 50 GFIA CCOC(=O)Cc1csc(NC(=O)CC2(n3cccc3)CCOCC2)n1 218208911 XMMAOLXTPQMWTC-UHFFFAOYSA-N 377.466 2.585 70 50 GFIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)C1CCN(c2ccc(Cl)nn2)CC1 217595112 JUIUOTIUIWZUJS-DLBZAZTESA-N 391.947 2.727 70 50 GFIA biogenic Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)COc1ccc(Cl)cc1 218702237 CVJXGIRTUYQWJE-QZTJIDSGSA-N 394.855 2.814 70 50 GFIA COCCn1c(C)cc(C)c(C(=O)NCCn2ccc3cc(OC)ccc32)c1=O 218506124 YNYJNVJUAXDYNW-UHFFFAOYSA-N 397.475 2.505 70 50 GFIA NC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 160615434 WOCGRXRQITZFFX-UHFFFAOYSA-N 385.221 2.986 70 50 GFIA Cc1nn(-c2ccccn2)c(C)c1CC(=O)NC[C@@H]1CCCN2CCCC[C@H]12 217908959 BIYBBESDDGXOLM-AZUAARDMSA-N 381.524 2.807 70 50 GFIA biogenic Cc1c(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)cnn1-c1cccc(Cl)c1 161013420 DPDCKABLIDLDCF-UHFFFAOYSA-N 396.900 2.875 70 50 GFIA COC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1cc(OC)c(OC)cc1OC 218105198 ZZMSQECGULPCBN-NSHDSACASA-N 390.388 2.842 70 50 GFIA biogenic COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(-n2cncn2)cc1 218376911 MQMVBEQJWMOJBD-MRXNPFEDSA-N 394.387 2.525 70 50 GFIA O=S(=O)(F)c1ccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cc1 1776007666 SHBMZKXMTFYVHC-UHFFFAOYSA-N 389.392 2.744 70 50 GFIA O=C(N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1CN(S(=O)(=O)F)C1 1875373614 ICRAMBMQAMSOHD-UONOGXRCSA-N 394.390 2.604 70 50 GFIA O=C(NCC1(c2ccccc2)CCCC1)[C@H]1Cc2ccccc2S(=O)(=O)N1 216997347 VYKMFLXOHADXOX-GOSISDBHSA-N 384.501 2.518 70 50 GFIA CCOC(=O)c1sc(NC(=O)CC2(n3cccc3)CCOCC2)nc1C 218363243 DKSVVOHFSUWYMP-UHFFFAOYSA-N 377.466 2.964 70 50 GFIA CC(=O)Nc1cccc2c1ccn2CC(=O)N[C@@H](C)c1nnc2ccccn12 218186819 ITUGPXKNHSYJGL-ZDUSSCGKSA-N 376.420 2.520 70 50 GFIA Cc1nc2sc([C@H](c3cc(F)c(F)c(F)c3)N3CCN(C)CC3)c(O)n2n1 218476130 RXGWLJRMCDHLBO-AWEZNQCLSA-N 397.426 2.559 70 50 GFIA Cc1nc(CC(C)C)cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)n1 218478893 RZBWXHGWIRFRMO-SJLPKXTDSA-N 390.509 2.544 70 50 GFIA CC(C)c1cc(=O)n(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cn1 160837076 ASZFGRWPMBLVGZ-UHFFFAOYSA-N 397.475 2.724 70 50 GFIA Cc1c(NC(=O)NC[C@@]2(CCO)CCOC2)cnn1-c1cccc(Cl)c1 161058241 YUEFYUQKIJFBTQ-GOSISDBHSA-N 378.860 2.745 70 50 GFIA COCCn1c(C)cc(C)c(C(=O)NCCn2ccc3cc(C)ccc32)c1=O 218504356 KCZMRGAHBMUSNP-UHFFFAOYSA-N 381.476 2.805 70 50 GFIA Cc1nc2sc([C@@H](c3cccc(OC(F)F)c3)N3CCOCC3)c(O)n2n1 218435759 IQBWIWQYMZIVHD-CYBMUJFWSA-N 396.419 2.828 70 50 GFIA COc1ccc2ncc(C(=O)Nc3ccc(Cn4cncn4)cc3)c(O)c2c1 218417740 HWQMKQOYYDLJSH-UHFFFAOYSA-N 375.388 2.841 70 50 GFIA CSc1cccc(N2C[C@@H](C(=O)Nc3ccc4nc[nH]c(=O)c4c3)CC2=O)c1 218143268 ZNFHDLPYOQFXAZ-LBPRGKRZSA-N 394.456 2.637 70 50 GFIA COc1cc([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc(OC)c1O 218011265 KUOJPPRJOMDJOU-LLVKDONJSA-N 390.388 2.876 70 50 GFIA biogenic C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CCC4(CCC4)C3)cc2F)C[C@H](C)O1 159438629 YZIQIPKZDPYAIP-GJZGRUSLSA-N 389.471 2.780 70 50 GFIA CC(C)[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1nc2ccccc2n1C 218463905 KFWZYLKSELANSN-KRWDZBQOSA-N 395.488 2.858 70 50 GFIA CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)C1 161199407 XOJHDLHMFQVEQD-OKZBNKHCSA-N 387.524 2.675 70 50 GFIA O=C(COc1ccc2occ(-c3ccsc3)c2c1)N[C@H]1CCS(=O)(=O)C1 218268745 WPBOHXBVKWTSDT-ZDUSSCGKSA-N 391.470 2.843 70 50 GFIA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(-c2nc[nH]n2)cc1 218299774 FKYNTNRTPQGVTP-OAHLLOKOSA-N 394.387 2.729 70 50 GFIA COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc2c(cc1O)OCO2 218071352 AHIWLBZOEKLGMM-GFCCVEGCSA-N 390.388 2.842 70 50 GFIA biogenic O=C(c1cnc2cc(Cl)ccc2c1O)N1CCN(CCc2ccccn2)CC1 218406346 FNFNDVUXRTYAKX-UHFFFAOYSA-N 396.878 2.989 70 50 GFIA C[C@@H](CO)NC(=O)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1-n1cccc1 218176343 REGLJYWOAKOYEZ-LBPRGKRZSA-N 394.353 2.672 70 50 GFIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1cccc(-c2nc[nH]n2)c1 218530556 DBWUSTHOQMXJFZ-QGZVFWFLSA-N 393.447 2.682 70 50 GFIA Oc1c([C@@H](c2cccc(OC(F)F)c2)N2CCOCC2)sc2ncnn12 218455130 AWBHRWIWINOWML-GFCCVEGCSA-N 382.392 2.519 70 50 GFIA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1cc(COc2ccccc2)cs1 216995354 OQKLNXWUUSOLNA-AWEZNQCLSA-N 377.487 2.892 70 50 GFIA O=C(CCCCCn1nnc2ccccc2c1=O)Nc1ccc2[nH]cnc2c1 218288384 UVKDSILQRMDCOH-UHFFFAOYSA-N 376.420 2.867 70 50 GFIA CC(=O)Nc1ccc(NC(=O)c2c(C)cc(C)n(C[C@@H]3CCCO3)c2=O)cc1 218459843 KQJDNTDJVKDFQT-SFHVURJKSA-N 383.448 2.855 70 50 GFIA Cc1ccc(CNC(=O)C2CCN(c3cc(C4CC(N)C4)nc(C)n3)CC2)cc1 218428869 SYLUYWVRJDWJQR-UHFFFAOYSA-N 393.535 2.831 70 50 GFIA CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cs1 160933417 DKOJUBUEAZCOEL-GFCCVEGCSA-N 382.482 2.547 70 50 GFIA C[C@H](C(=O)Nc1n[nH]c(CCC2CCCC2)n1)n1cnc2ccccc2c1=O 218519768 MEEDLRIVMRQAIR-CYBMUJFWSA-N 380.452 2.837 70 50 GFIA COCCn1c([C@H](C)NC(=O)c2cc(-c3cccnc3)n[nH]2)nc2ccccc21 218301786 LFCZXGFZHWPHOU-AWEZNQCLSA-N 390.447 2.959 70 50 GFIA COc1ccc(C(=O)COC(=O)c2cc(C)ccc2OS(=O)(=O)F)cc1 1875390017 JUCXCZSQSNYCSA-UHFFFAOYSA-N 382.365 2.636 70 50 GFIA COc1cc(NC(=O)Cn2cc(OC)c(=O)cc2C)ccc1-n1nc(C)cc1C 218275599 YYXUDPCRQJRWHI-UHFFFAOYSA-N 396.447 2.615 70 50 GFIA COc1ccccc1OC(C)(C)C(=O)N[C@H]1CCOC[C@H]1C1CCOCC1 218053318 MJCYVFSEECKJPA-IRXDYDNUSA-N 377.481 2.801 70 50 GFIA Nc1ccccc1C(=O)Nc1cc(Br)ccc1OS(=O)(=O)F 1875389976 BKADWEBHZSHNCH-UHFFFAOYSA-N 389.202 2.877 70 50 GFIA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)C[C@H](c1ccccc1)c1ccco1)CC2 217118655 XYLNGEMVTPYYLM-GOSISDBHSA-N 377.444 2.821 70 50 GFIA CC(C)[C@H](NC(=O)c1cnc2sccn2c1=O)c1nc2ccccc2n1C 218274917 DJDUBKWPSKMHJH-HNNXBMFYSA-N 381.461 2.770 70 50 GFIA COc1ccc(O[C@@H]2C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc3c(c2)OCO3)cc1 217588549 XDGXKYVFNMZNRW-UIFIKXQLSA-N 397.427 2.934 70 50 GFIA COCCn1c(C)cc(C)c(C(=O)NCCc2c[nH]c3ccc(OC)cc23)c1=O 218154465 CCGOLSMQJAHCJE-UHFFFAOYSA-N 397.475 2.574 70 50 GFIA CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cs1 160933286 DKOJUBUEAZCOEL-LBPRGKRZSA-N 382.482 2.547 70 50 GFIA O=S(=O)(Oc1ncc(Cl)cc1I)C(F)(F)F 100002228 IRCLLYHKRRFPRN-UHFFFAOYSA-N 387.504 2.568 70 50 GFIA in-vitro Cc1cc(C)c2c(O)c(C(=O)N3CCN(CCc4ccncc4)CC3)cnc2c1 218249137 GMGGCZOPVDVNMX-UHFFFAOYSA-N 390.487 2.953 70 50 GFIA CC(C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2n1C 218254409 SLHPGRWTBWCOIV-FQEVSTJZSA-N 389.459 2.797 70 50 GFIA CCn1nc(-c2ccc(OC)c(S(=O)(=O)Cl)c2)c2c(c1=O)CCCC2 1848442358 HWIRBCKLEPLUSR-UHFFFAOYSA-N 382.869 2.745 70 50 GFIA Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H]1CCCc2sccc21 160376149 XILVCDSXFFCHJR-MRXNPFEDSA-N 397.504 2.633 70 50 GFIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCc1ccco1 217876899 NBMGTKIYKWNRSE-HXUWFJFHSA-N 387.395 2.711 70 50 GFIA biogenic COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4ccc(C(C)=O)c(O)c43)cc2c1 217864303 WBNBTYODZUIJAO-CQSZACIVSA-N 379.368 2.886 70 50 GFIA biogenic CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cnn(C3CCCC3)c2C)c1 159685874 UGTSBRSZSHDDAL-UHFFFAOYSA-N 376.482 2.775 70 50 GFIA CN1CCN(C[C@@H]2CCCN(C(=O)CCSCc3ccccc3)C2)CC1 218271772 MCUYBSCGQFKNMY-FQEVSTJZSA-N 375.582 2.796 70 50 GFIA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1nc3ccccc3[nH]1)C2 216787010 JJZQWQPJEBELBO-CVEARBPZSA-N 379.464 2.791 70 50 GFIA CCCOc1ccc(C(=O)N2CCN(Cc3nccn3C)CC2)cc1Cl 217483087 KHKZHHNVTARXNJ-UHFFFAOYSA-N 376.888 2.820 70 50 GFIA Cn1ccc2c(NC(=O)[C@H]3CC(=O)N(CCc4ccc(O)cc4)C3)cccc21 217727015 QXYRTEVMEYBQSQ-INIZCTEOSA-N 377.444 2.914 70 50 GFIA biogenic O=C(NC1CCN(c2ccccc2)CC1)N1CCN(Cc2ccccn2)CC1 159560009 SHGMVNHYDXSHCZ-UHFFFAOYSA-N 379.508 2.578 70 50 GFIA CN(Cc1ccc(OS(=O)(=O)F)cc1)[C@@H]1CCN(c2ccccc2F)C1=O 1875387592 PANBYDHQRFIIQW-QGZVFWFLSA-N 396.415 2.656 70 50 GFIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccn2)n1 218419634 MNCFEBRSAVMLAS-FQEVSTJZSA-N 375.476 2.871 70 50 GFIA CC(C)Oc1ccccc1CNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 217836495 ILXBHEZSDXKHDM-SFHVURJKSA-N 395.459 2.621 70 50 GFIA biogenic COC(=O)C(C(N)=S)=P(c1ccccc1)(c1ccccc1)c1ccccc1 98050296 MOCIRIUAXROXQG-UHFFFAOYSA-N 393.448 2.612 70 50 GFIA CC(C)[C@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2n1C 218222523 UNBFZSWSKATRGI-SFHVURJKSA-N 393.426 2.815 70 50 GFIA CCCN(CC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cn1 160772065 BQRMABCEANEJMR-GOSISDBHSA-N 384.480 2.832 70 50 GFIA CC(C)(N)CNC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21 160015653 NGKUEZMAIQDVFZ-UHFFFAOYSA-N 383.517 2.835 70 50 GFIA Cc1nc2sc([C@H](c3cc(F)c(F)c(F)c3)N3CCOCC3)c(O)n2n1 218544137 XJFPUJVALBHOKC-ZDUSSCGKSA-N 384.383 2.644 70 50 GFIA COc1cccc2c(O)c(C(=O)Nc3ccc(Cn4cncn4)cc3)cnc12 218251770 GBYKIJRZLIXYFS-UHFFFAOYSA-N 375.388 2.841 70 50 GFIA CC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1nc2ccccc2n1C 218387187 ISHVCENJDGFYOW-IBGZPJMESA-N 390.443 2.683 70 50 GFIA CN1CCN([C@H](c2cccc(Cl)c2F)c2sc3ncnn3c2O)CC1 218468253 FEFOTZYNTJUFGT-CYBMUJFWSA-N 381.864 2.626 70 50 GFIA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cc(=O)c2ccccc2o1 218489188 FTWQHHGNXIHUCC-DYESRHJHSA-N 379.412 2.897 70 50 GFIA CC[C@H](C)[C@H](C(=O)N[C@H](CO)Cc1ccccc1)N1Cc2ccccc2C1=O 217612967 JYZQJXGEBJCEBG-NBHGPNQESA-N 380.488 2.777 70 50 GFIA biogenic COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1 218374383 KAEJIMOTVQZRLV-INIZCTEOSA-N 397.479 2.916 70 50 GFIA Cc1cc(C(=O)N2CCN(c3cnn(C)c3)CC2)nc(-c2ccc(Cl)cc2)n1 159696995 WWQLCEQCXUVXCG-UHFFFAOYSA-N 396.882 2.801 70 50 GFIA Cc1nn(-c2cccc(C(=O)N3CCc4n[nH]cc4C3)c2)c(=O)c2ccccc12 217520323 QGOVROHTOZGJMZ-UHFFFAOYSA-N 385.427 2.616 70 50 GFIA O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCCc1ccco1 218432648 ZKIYGFFRHJQWIS-KRWDZBQOSA-N 377.400 2.607 70 50 GFIA O=C(Cc1ccc(S(=O)(=O)F)cc1)NCc1cccc(NC(=O)C2CC2)c1 1875367498 IHZKPECHOWQCQU-UHFFFAOYSA-N 390.436 2.552 70 50 GFIA O=C(Cc1ccccc1F)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccn2)C1 216848104 NDCXEMVFPYIGMJ-NQIIRXRSSA-N 395.478 2.845 70 50 GFIA O=C(NCCSc1ccccc1)[C@H]1CC(=O)N(CCc2ccc(O)cc2)C1 218151791 OWKYITBSORKZAE-KRWDZBQOSA-N 384.501 2.692 70 50 GFIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(CN3CCCCC3)cc1)C2 218754113 NDNHVAIDWGMVRN-KRWDZBQOSA-N 382.508 2.968 70 50 GFIA CSCC[C@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1nnc2ccccn12 218210784 KMPMWGBZXXUHHC-AWEZNQCLSA-N 393.476 2.739 70 50 GFIA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(N2CCCCC2)c1 217792970 VVOROUMXSOAFLZ-IBGZPJMESA-N 392.459 2.756 70 50 GFIA biogenic NC[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Br)o1 160208851 PQXGKINNHIZKAW-LBPRGKRZSA-N 378.270 2.986 70 50 GFIA CN(CCCOc1ccccc1Cl)C(=O)[C@@H]1CCCN1C1CCNCC1 216983883 DSSIGZVFBDZSGF-SFHVURJKSA-N 379.932 2.784 70 50 GFIA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cnn(Cc3ccccc3)c1)C2 218638321 KMXVSVXEUZHVLP-HXUWFJFHSA-N 379.464 2.617 70 50 GFIA COCCCn1c(C)cc(C)c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1=O 218260478 FLPGSBDADVFFMB-UHFFFAOYSA-N 381.436 2.539 70 50 GFIA COC(=O)[C@H](CCSC)NC(=O)c1cn(C(C)C)c(=O)c2ccccc12 217662084 AESIYYLFPKRTMQ-INIZCTEOSA-N 376.478 2.607 70 50 GFIA biogenic Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3ccccc3n(CC(C)C)c2=O)o1 217660781 VGMRGAXJAAMSIG-OAHLLOKOSA-N 396.443 2.632 70 50 GFIA biogenic CS(=O)(=O)Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2)cc1F 160335340 BCUKUIZLQOJRCY-UHFFFAOYSA-N 391.399 2.947 70 50 GFIA C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1ccccc1-n1cccn1 159647598 OIZHKTLWIZERQS-KRWDZBQOSA-N 390.491 2.510 70 50 GFIA O=C(c1cnc2ccc(Cl)cc2c1O)N1CCN(CCc2ccccn2)CC1 218188589 NWURKJFOABRZJL-UHFFFAOYSA-N 396.878 2.989 70 50 GFIA CN(c1ccc(OS(=O)(=O)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 1875368289 HHMIAILQBAPQPP-UHFFFAOYSA-N 379.818 2.758 70 50 GFIA C[C@H](C(=O)N1CCN(CCOc2ccccc2Cl)CC1)C1CCOCC1 161220193 KOPWQQRXDMWNSZ-INIZCTEOSA-N 380.916 2.926 70 50 GFIA COc1ccc(NC(=O)CS[C@H]2OC(=O)c3c2ccc(OC)c3OC)cn1 218613326 VAIGZUCQKQGSMU-GOSISDBHSA-N 390.417 2.648 70 50 GFIA CCNC(=O)c1ccc(CNC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cc1 160057647 QKKOCWWJGWAYOP-ROUUACIJSA-N 385.464 2.827 70 50 GFIA COC(=O)[C@H](C)NC(=O)c1cnn(-c2ccc(Cl)cc2F)c1-n1cccc1 218270289 INJBVNJFZRIRSF-NSHDSACASA-N 390.802 2.747 70 50 GFIA COc1ccc(C(C)(C)C(=O)Nc2cccc(-c3nnnn3C)c2)cc1OC 160417603 GWRAXQRRJMVVCV-UHFFFAOYSA-N 381.436 2.811 70 50 GFIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCc1cccnc1 217680385 JOGIPOSOJAQTLZ-NRFANRHFSA-N 398.422 2.513 70 50 GFIA biogenic Cc1nc2sc([C@@H](c3cc(F)c(F)c(F)c3)N3CCN(C)CC3)c(O)n2n1 218476037 RXGWLJRMCDHLBO-CQSZACIVSA-N 397.426 2.559 70 50 GFIA COc1ccc2c(ccn2CCNC(=O)CC2(Cn3cnnn3)CCCCC2)c1 218478557 YDTMWVGNGKIMFE-UHFFFAOYSA-N 396.495 2.793 70 50 GFIA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(NC(C)=O)c1 218278390 GASAXGWURBUORS-MRXNPFEDSA-N 384.388 2.903 70 50 GFIA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2nc[nH]n2)c1 218346243 ZMGCIMFLYZTCHL-HNNXBMFYSA-N 394.387 2.729 70 50 GFIA COC(=O)[C@H](CCSC)NC(=O)CCn1cc(C(C)=O)c2ccccc21 217663703 OMUKGLZUVGRIJM-INIZCTEOSA-N 376.478 2.645 70 50 GFIA biogenic COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c(O)c2ccccc2oc1=O 217648293 VWVSGAODKQJKRQ-AWEZNQCLSA-N 382.368 2.965 70 50 GFIA biogenic CSCC[C@@H](CO)NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O 217607445 UBSXSDGSSIBUEF-HKUYNNGSSA-N 384.501 2.614 70 50 GFIA biogenic Cc1nc2sc([C@H](c3cccc(Cl)c3F)N3CCN(C)CC3)c(O)n2n1 218555355 FHKHTRDWADCQGQ-AWEZNQCLSA-N 395.891 2.934 70 50 GFIA COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CCCN(c2nc(C)cc(C)n2)C1 218374297 KAEJIMOTVQZRLV-MRXNPFEDSA-N 397.479 2.916 70 50 GFIA COc1ccccc1CN(C)C(=O)CN1CCO[C@]2(CCc3ccccc32)C1 159475437 GRIMXGNVPRYFJH-HSZRJFAPSA-N 380.488 2.828 70 50 GFIA O=C(COC[C@H]1CCCCO1)N1CCN(c2nsc3ccccc23)CC1 218409329 BZBRCGFSAXKLGQ-OAHLLOKOSA-N 375.494 2.531 70 50 GFIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCc2ccncc2)n1 218428057 GFGJOTVYQZRVEJ-FQEVSTJZSA-N 375.476 2.871 70 50 GFIA CN1CCN(C[C@H]2CCCN(C(=O)CCSCc3ccccc3)C2)CC1 218271833 MCUYBSCGQFKNMY-HXUWFJFHSA-N 375.582 2.796 70 50 GFIA COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1cc(OC)c(OC)cc1OC 218105266 ZZMSQECGULPCBN-LLVKDONJSA-N 390.388 2.842 70 50 GFIA biogenic CCn1c(CCNc2cc(C3CC(N)C3)nc(COC)n2)nc2ccccc21 218638480 FXCLMEDEGNEPPS-UHFFFAOYSA-N 380.496 2.852 70 50 GFIA CNC(=O)c1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c(Cl)c1 160282185 RGOZVMRHSCCDBS-SFHVURJKSA-N 387.867 2.539 70 50 GFIA Cc1cc(O)cc(=O)n1CCCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C 218448007 OYOAOSDRYDBMAS-IBGZPJMESA-N 394.475 2.893 70 50 GFIA C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1ccccc1-n1cccn1 159647739 OIZHKTLWIZERQS-QGZVFWFLSA-N 390.491 2.510 70 50 GFIA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(NC(C)=O)c1 218278431 GASAXGWURBUORS-INIZCTEOSA-N 384.388 2.903 70 50 GFIA CC(C)[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2n1C 218350734 XQCJEVNDXCTFKG-SFHVURJKSA-N 375.436 2.676 70 50 GFIA Oc1c([C@H](c2cccc(OC(F)F)c2)N2CCOCC2)sc2ncnn12 218455053 AWBHRWIWINOWML-LBPRGKRZSA-N 382.392 2.519 70 50 GFIA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)cc1 216699160 VKVONAQCWJOEQF-SJORKVTESA-N 383.448 2.563 70 50 GFIA CC(C)CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 217831330 OSZUNVLVLYPUSE-FQEVSTJZSA-N 377.444 2.964 70 50 GFIA biogenic COCCn1c([C@H](C)NC(=O)c2cc(-c3ccncc3)n[nH]2)nc2ccccc21 218243563 XAFOBLJSHHISOU-AWEZNQCLSA-N 390.447 2.959 70 50 GFIA O=C(OCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(F)cc3)C[C@@]23C=C[C@H]1O3 217652938 RSGURPYXAJJYPG-AWWSKVOZSA-N 393.414 2.851 70 50 GFIA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(O)c(C(C)=O)c1 218224360 FEEMPDVCYTYLHG-MRXNPFEDSA-N 385.372 2.852 70 50 GFIA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(-n2cncn2)cc1 218376995 MQMVBEQJWMOJBD-INIZCTEOSA-N 394.387 2.525 70 50 GFIA O=C(Nc1n[nH]c(Cc2cc(F)cc(F)c2)n1)c1cc(-c2cccnc2)n[nH]1 218347595 HBTDAUJYVUITJD-UHFFFAOYSA-N 381.346 2.711 70 50 GFIA COc1cc(OC)cc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c1 218395969 DFETXSJECYZAGV-MOPGFXCFSA-N 375.396 2.809 70 50 GFIA COCCCn1c(C)cc(C)c(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1=O 218517802 JMGAPDGRVQBMNZ-HNNXBMFYSA-N 382.464 2.869 70 50 GFIA CN1CCN([C@@H](c2cccc(Cl)c2F)c2sc3ncnn3c2O)CC1 218468332 FEFOTZYNTJUFGT-ZDUSSCGKSA-N 381.864 2.626 70 50 GFIA CNC(=O)c1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c(Cl)c1 160282321 RGOZVMRHSCCDBS-GOSISDBHSA-N 387.867 2.539 70 50 GFIA O=C1c2cc(S(=O)(=O)Cl)ccc2-c2ccc(S(=O)(=O)Cl)cc21 95749471 ZQLFXNQIQZAHMI-UHFFFAOYSA-N 377.226 2.753 70 50 GFIA CSCC[C@@H](CO)NC(=O)Cc1csc2nc(-c3ccccc3)cn12 218196650 QPROHUFDGCBAIS-AWEZNQCLSA-N 375.519 2.836 70 50 GFIA Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1cccc(S(=O)(=O)F)c1 460094111 RCSAJCQVRRNDEH-UHFFFAOYSA-N 383.351 2.920 70 50 GFIA CC(C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)c1nc2ccccc2n1C 218222041 FXOOFPBACDMRRC-NRFANRHFSA-N 393.491 2.522 70 50 GFIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCc2ccccn2)n1 218419554 MNCFEBRSAVMLAS-HXUWFJFHSA-N 375.476 2.871 70 50 GFIA O=C(c1cnc2cc(Cl)ccc2c1O)N1CCN(CCc2ccncc2)CC1 218244186 QMBMXLXOPRUBMQ-UHFFFAOYSA-N 396.878 2.989 70 50 GFIA Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H]1CCCc2sccc21 160376275 XILVCDSXFFCHJR-INIZCTEOSA-N 397.504 2.633 70 50 GFIA O=c1cc(CN2CCN(c3ccccc3)CC2)oc(CN2CCCCC2)c1O 218343731 LNDXDSHXCAKCFS-UHFFFAOYSA-N 383.492 2.654 70 50 GFIA CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)C1 161199626 XOJHDLHMFQVEQD-RCCFBDPRSA-N 387.524 2.675 70 50 GFIA Cc1ccc(-c2cc(C(=O)N3CCCn4nc([C@@H](O)C5CC5)cc4C3)[nH]n2)o1 218600824 HEAOEAIYQKCLRK-IBGZPJMESA-N 381.436 2.664 70 50 GFIA COc1cc(NCc2cc(S(=O)(=O)F)ccc2C)cc(S(C)(=O)=O)c1 1875381307 QHBZBCJHUVYZBF-UHFFFAOYSA-N 387.454 2.677 70 50 GFIA O=C(c1cnc2c(Cl)cccc2c1O)N1CCn2c(nnc2C(F)(F)F)C1 218138691 OEMFZCNZOFROSQ-UHFFFAOYSA-N 397.744 2.860 70 50 GFIA COc1cc(OC)c(OC)c([C@@H](c2sc3ncnn3c2O)N2CCCC2)c1 218598299 PTFPOAAKDNJCOH-AWEZNQCLSA-N 390.465 2.707 70 50 GFIA Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@@H](C)CCCC(C)C)[C@H]4C2=O)no1 217713319 XCLJIXXMLYMVTE-UZVAKFGASA-N 387.480 2.600 70 50 GFIA COc1ccc2cc([C@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)n(C)c2c1 217714391 TZNINORNLZSCNK-ZDUSSCGKSA-N 379.368 2.717 70 50 GFIA biogenic COc1cc2c(c(OC)c1OC)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 218078047 NJNHIWIQVRYEOC-GFCCVEGCSA-N 381.384 2.995 70 50 GFIA biogenic CCOC(=O)Cc1csc(NC(=O)c2cnc3ccc(F)cc3c2O)n1 218148842 PCZTUEVFVSUHNE-UHFFFAOYSA-N 375.381 2.894 70 50 GFIA CC(C)n1c(CCNC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21 218556721 JHLGOTAIWXJKJW-UHFFFAOYSA-N 381.484 2.622 70 50 GFIA CCN(C)c1ccnc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1 217076541 XQVOSLLAXPUGNH-GOSISDBHSA-N 377.496 2.957 70 50 GFIA O=C(NCc1nc2c(s1)CCCC2)Nc1ccc(OS(=O)(=O)F)cc1 1875382619 JJNAOUUURWBPOH-UHFFFAOYSA-N 385.442 2.937 70 50 GFIA O=C(CCN1C(=O)CCc2ccccc21)NCC1(N2CCCCC2)CCOCC1 159840452 REPCBOGQHSAQRZ-UHFFFAOYSA-N 399.535 2.507 70 50 GFIA C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)cc4cccnc34)cn2)CCO1 160588625 DXXCYRKTEZVXJL-CQSZACIVSA-N 380.423 2.924 70 50 GFIA COc1ccc2nnc(CCCC(=O)N3CCCC[C@H]3c3cccnc3)n2n1 218037813 CAYXCOVPHOXBGH-INIZCTEOSA-N 380.452 2.604 70 50 GFIA biogenic O=C(c1cccc(N2CCOCC2)c1)N(Cc1ccncc1)C[C@@H]1CCCO1 218204291 NVRLSEXONKZTFA-NRFANRHFSA-N 381.476 2.740 70 50 GFIA COC(=O)C[C@H](c1c(O)c(C(=O)OC)c[nH]c1=O)c1cccc2ccccc12 218573572 MVGHCFVTCFRBCJ-HNNXBMFYSA-N 381.384 2.715 70 50 GFIA Cc1cc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)c(=O)[nH]c1C 218733737 XZNNVDQJHKJUMZ-LAGYLCCXSA-N 377.444 2.782 70 50 GFIA O=C(Cc1cc2ccccc2[nH]c1=O)Nc1ccccc1N1CCC(CO)CC1 160333499 UUCSEFWJLMPCDF-UHFFFAOYSA-N 391.471 2.918 70 50 GFIA COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c(O)c2ccccc2oc1=O 217648215 VWVSGAODKQJKRQ-CQSZACIVSA-N 382.368 2.965 70 50 GFIA biogenic Cc1c(NC(=O)NC[C@]2(CCO)CCOC2)cnn1-c1cccc(Cl)c1 161058096 YUEFYUQKIJFBTQ-SFHVURJKSA-N 378.860 2.745 70 50 GFIA CCc1c(C)cc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)c(=O)n1C 218433164 XSRYKXVUONKZQV-JWWGGVBKSA-N 380.488 2.632 70 50 GFIA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1ccc2scnc2c1 218389143 RXRQEJYEBAPVKY-CABCVRRESA-N 375.475 2.857 70 50 GFIA NC[C@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Br)o1 160208731 PQXGKINNHIZKAW-GFCCVEGCSA-N 378.270 2.986 70 50 GFIA O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1nccs1 217686953 WBCLBTZWNWUXSZ-QGZVFWFLSA-N 390.424 2.897 70 50 GFIA biogenic COc1ccc([C@@H](c2sc3ncnn3c2O)N2CCCC2)c(OC)c1OC 218528675 XFHAPSRIBQMEHB-ZDUSSCGKSA-N 390.465 2.707 70 50 GFIA COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1cc2c(cc1O)OCO2 218117685 BQEWQJDZOGMUEF-NSHDSACASA-N 376.361 2.539 70 50 GFIA biogenic O=C(COc1ccc2c(c1)NC(=O)CC2)Nc1n[nH]c(CCC2CCCC2)n1 218460150 GXOZHWHIFURSSJ-UHFFFAOYSA-N 383.452 2.830 70 50 GFIA CC(C)[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2n1C 218131392 KKPQOQJYCXEQSQ-KRWDZBQOSA-N 381.484 2.733 70 50 GFIA COCCn1c(C)cc(C)c(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1=O 218355033 ZUTYCKUENZTCTM-UHFFFAOYSA-N 385.439 2.704 70 50 GFIA O=C1CCN(C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CCN1 161451473 NEHIUYGXLZOYKO-UHFFFAOYSA-N 383.395 2.720 70 50 GFIA O=C(CC1(n2cccc2)CCOCC1)NCCCCCc1nnc2ccccn12 218236373 OGYVERGRIOKUMK-UHFFFAOYSA-N 395.507 2.956 70 50 GFIA O=C(CCc1cccnc1)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 218664791 BDSJVXWELWCUAV-OAQYLSRUSA-N 376.460 2.529 70 50 GFIA CCS(=O)(=O)Nc1ccc(C(=O)NCc2cc3cc(OC)ccc3[nH]2)cc1 218418187 VKLMUXTZEZEABF-UHFFFAOYSA-N 387.461 2.868 70 50 GFIA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cnn(Cc3ccccc3)c1)C2 218638387 KMXVSVXEUZHVLP-FQEVSTJZSA-N 379.464 2.617 70 50 GFIA Cc1cccc(-c2n[nH]cc2C(=O)N[C@H](Cc2ccncc2)C2CC(O)C2)c1 218712887 XWGMDEIIBJYBRA-AFMYVXGZSA-N 376.460 2.892 70 50 GFIA CC(=O)c1c(C)nn(CC(=O)N(C)Cc2cnn(-c3cccc(C)c3)c2)c1C 218232204 PGTRLVMIHVIZEI-UHFFFAOYSA-N 379.464 2.855 70 50 GFIA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-c2nc[nH]n2)c1 218346163 ZMGCIMFLYZTCHL-OAHLLOKOSA-N 394.387 2.729 70 50 GFIA Cc1ccc(-c2cc(C(=O)N3CCCn4nc([C@H](O)C5CC5)cc4C3)[nH]n2)o1 218600901 HEAOEAIYQKCLRK-LJQANCHMSA-N 381.436 2.664 70 50 GFIA O=C(CCN1C(=O)CSc2ccccc21)Nc1cccc(S(=O)(=O)F)c1 460095126 RFXZTSFIRPTSTQ-UHFFFAOYSA-N 394.449 2.812 70 50 GFIA O=C(Cn1cnc2sccc2c1=O)NCCc1nc(-c2ccccc2)cs1 218422326 LNNKBFVXQRTTOW-UHFFFAOYSA-N 396.497 2.940 70 50 GFIA CC(C)[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1nc2ccccc2n1C 218388545 XIBULGVECJCVFJ-FQEVSTJZSA-N 389.459 2.797 70 50 GFIA CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cc1 159824739 YSUOXTLWXWKDQU-ROUUACIJSA-N 385.464 2.779 70 50 GFIA Cc1csc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1 218230233 MQYFNCISDXGTST-ZDUSSCGKSA-N 392.868 2.944 70 50 GFIA CCNC(=O)c1ccc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 160057924 QKKOCWWJGWAYOP-ZWKOTPCHSA-N 385.464 2.827 70 50 GFIA CSc1cccc(N2C[C@H](C(=O)Nc3ccc4nc[nH]c(=O)c4c3)CC2=O)c1 218143186 ZNFHDLPYOQFXAZ-GFCCVEGCSA-N 394.456 2.637 70 50 GFIA