smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COCCn1c([C@H](C)NC(=O)c2cc(-c3ccco3)n[nH]2)nc2ccccc21	218253162	UTWOJHDWDPJAJC-ZDUSSCGKSA-N	379.420	3.157	70	50	GGIA	
CC1CN(C(=O)[C@@H]2CC[C@H](C)O2)c2ccccc2N(C(=O)[C@@H]2CC[C@H](C)O2)C1	161488938	LEZDSLHGQVEDQV-FVCZOJIISA-N	386.492	3.137	70	50	GGIA	
COc1ccc(CCc2nc(NC(=O)Cc3cc(F)c(F)cc3F)n[nH]2)cc1	218392417	PKHQZMZQWWLXBT-UHFFFAOYSA-N	390.365	3.197	70	50	GGIA	
COC(=O)[C@@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C(C)C	217909839	HTKXIFKQJPSOJW-IBGZPJMESA-N	379.412	3.387	70	50	GGIA	biogenic
COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c(OC)c1	217733289	YUXAODGCWGZBGA-HNAYVOBHSA-N	398.507	3.088	70	50	GGIA	biogenic
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1ccccn1	217666114	QNAWRHITKJZOSU-NRFANRHFSA-N	398.422	3.225	70	50	GGIA	biogenic
COc1cc(OC)c([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)c(OC)c1	217749107	DGUMRZJYLPHXKC-CYBMUJFWSA-N	382.368	3.260	70	50	GGIA	biogenic
CC(C)c1ccc(-n2cc(O)c(C(=O)N3CC[C@@H](Oc4cccnc4)C3)n2)cc1	161413777	IVNHDWQYIDKXSS-LJQANCHMSA-N	392.459	3.390	70	50	GGIA	
CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C12CCCC2	159742633	DOVYSJMOWRRGMO-BYCMXARLSA-N	385.430	3.387	70	50	GGIA	
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1nc2ccccc2n1C	218386849	VDQBCFSYOCVCTA-KKSFZXQISA-N	390.487	3.440	70	50	GGIA	
CC[C@H](C)[C@H](NC(=O)c1ccc(-n2nnnc2C)cc1)c1nc2ccccc2[nH]1	218400836	XAVNPSXIJUFGQZ-DJJJIMSYSA-N	389.463	3.364	70	50	GGIA	
CC(C)CNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12	217635090	MRBLEZOXLZFCOA-NRFANRHFSA-N	391.471	3.354	70	50	GGIA	biogenic
CCc1nnc([C@@H](C)S(=O)(=O)Cc2cnc(-c3ccc(Cl)cc3)nc2)o1	159419308	UHWARVMVCGKEDJ-LLVKDONJSA-N	392.868	3.418	70	50	GGIA	
COc1cc2c(cc1OC)CN(C(=O)c1cnc3c(F)cccc3c1O)CC2	218365244	DDFRSOCSSPLZCQ-UHFFFAOYSA-N	382.391	3.295	70	50	GGIA	
COc1cc2c(cc1OC)CN(C(=O)c1cnc3ccc(F)cc3c1O)CC2	218368935	MTAMDRRYTXBPAH-UHFFFAOYSA-N	382.391	3.295	70	50	GGIA	
CC(C)Cc1ccc(-c2cc(C(=O)Nc3n[nH]c([C@H]4CCCO4)n3)[nH]n2)cc1	218398361	KLWUUVDZJNEFBB-QGZVFWFLSA-N	380.452	3.497	70	50	GGIA	
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2oc(=O)ccc2c1	217638952	ODXWHCOOAABYHK-INIZCTEOSA-N	395.367	3.051	70	50	GGIA	biogenic
C[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc(-n2ccnc2)cc1	161259284	YJZKUOCRXLSHDC-GOSISDBHSA-N	391.519	3.015	70	50	GGIA	
CCCCc1nc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)c[nH]1	218766096	IZHYUXPKOBMMAJ-QFIPXVFZSA-N	379.508	3.436	70	50	GGIA	
COCc1n[nH]c(-c2cccc(NC(=O)Cc3cn(C)c4ccccc34)c2)n1	218152709	KJQMYBLNBGZANN-UHFFFAOYSA-N	375.432	3.291	70	50	GGIA	
CCCc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)s1	218293505	GTTQWXVAMMZCIG-UHFFFAOYSA-N	389.408	3.414	70	50	GGIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(-c2c[nH]cn2)cc1	218283781	GZABSMJERSLQIM-QGZVFWFLSA-N	393.399	3.334	70	50	GGIA	
CC(C)n1c(CNC(=O)c2ccccc2N2CCOCC2)nc2ccccc21	217188371	ITHSLCZYMSBGET-UHFFFAOYSA-N	378.476	3.384	70	50	GGIA	
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cc(F)c(F)c(F)c1	218424209	UHUPDHDDDVMBJB-ZDUSSCGKSA-N	381.306	3.361	70	50	GGIA	
CC(C)n1ccc2cc(C(=O)NCCn3c(=O)c(O)nc4ccccc43)ccc21	218390365	ZMEGECOMOUBENG-UHFFFAOYSA-N	390.443	3.068	70	50	GGIA	
Cc1cccc([C@@H](NC(=O)C2CCN(c3cnccn3)CC2)c2ccccn2)c1	160040026	RDRULFMEMWLBCB-JOCHJYFZSA-N	387.487	3.302	70	50	GGIA	
CN(Cc1ccccc1)C(=O)COc1coc(CN2CCCCCC2)cc1=O	218252398	NPBPLAPUSOZZFL-UHFFFAOYSA-N	384.476	3.053	70	50	GGIA	
CC(C)CN1C[C@@H](C(=O)NCCCc2nc3ccccc3n2C(C)C)CC1=O	218402120	QHOAETWEHIJMAJ-KRWDZBQOSA-N	384.524	3.171	70	50	GGIA	
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1ccccn1	217666029	QNAWRHITKJZOSU-OAQYLSRUSA-N	398.422	3.225	70	50	GGIA	biogenic
COc1ccccc1-c1noc(CCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)n1	217895941	NOYZZEFZYSALOA-FUHWJXTLSA-N	398.507	3.059	70	50	GGIA	biogenic
C[C@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)[C@H]1CCCO1	160238151	FEILHLZCRXKFTO-SWLSCSKDSA-N	393.285	3.383	70	50	GGIA	
CC(C)Cc1nc2cc(NC(=O)CCN3C(=O)CC4(CCCC4)C3=O)ccc2[nH]1	218503939	KPRFGNNOIWGLSH-UHFFFAOYSA-N	396.491	3.409	70	50	GGIA	
COc1cc2c(c(OC)c1OC)[C@H](c1cc3ccc(C)cc3[nH]c1=O)CC(=O)O2	217994570	DSRQLNBWBSOBNE-ZDUSSCGKSA-N	395.411	3.303	70	50	GGIA	biogenic
COCCn1c(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc2cc(Cl)ccc21	218474007	PZNCPRRCKOSYBJ-UHFFFAOYSA-N	387.749	3.330	70	50	GGIA	
CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2)c1	159834334	LELFFKXJIINAAN-IBGZPJMESA-N	386.517	3.053	70	50	GGIA	
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1ccccc1O	217819161	MEWJWBZYLUUYDY-OAQYLSRUSA-N	399.406	3.146	70	50	GGIA	biogenic
CCOC(=O)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1	72399824	QYXSFVCJCUXGJH-UHFFFAOYSA-N	390.419	3.305	70	50	GGIA	in-vitro
Cc1ccccc1OCC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1	216886452	MMABKCPNSFRMEH-UXHICEINSA-N	378.472	3.023	70	50	GGIA	
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCc1c[nH]c2ccccc12	217985915	LATBORMRYZJRQU-SFHVURJKSA-N	393.487	3.098	70	50	GGIA	biogenic
Cc1cc2c(c(=O)o1)[C@@H](c1cc3ccccc3n(CC(C)C)c1=O)CC(=O)O2	218051755	VXDQKLRLFRPJHO-OAHLLOKOSA-N	379.412	3.360	70	50	GGIA	biogenic
CC(C)c1ncc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1	218735054	MYFCCNHUWAVXLX-UPQHMETBSA-N	376.460	3.390	70	50	GGIA	
CC(C)NC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12	217683621	JJJVGUZWIYERHF-HXUWFJFHSA-N	377.444	3.106	70	50	GGIA	biogenic
COc1ccc2[nH]cc(CCNC(=O)CC3(n4cccc4)CCOCC3)c2c1	218083966	INZXKYDTYNIFAO-UHFFFAOYSA-N	381.476	3.233	70	50	GGIA	biogenic
COc1nc2ccccc2nc1CCC(=O)NCc1ccc(-n2cccn2)cc1	216946463	XJHPCRKVVXSKDG-UHFFFAOYSA-N	387.443	3.073	70	50	GGIA	
COC(=O)c1nc(NC(=O)CC2(n3cccc3)CCOCC2)sc1C(C)C	218313403	WBUFUFQKUASXHF-UHFFFAOYSA-N	391.493	3.389	70	50	GGIA	
Cc1c(C(=O)NCCn2ccc3c(Cl)cccc32)sc2nc[nH]c(=O)c12	218153201	CNRDXLRBESMWKR-UHFFFAOYSA-N	386.864	3.331	70	50	GGIA	
COc1ccc2occ([C@@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)c(=O)c2c1	217802795	CMSFYFODJAORRP-ZDUSSCGKSA-N	390.347	3.349	70	50	GGIA	biogenic
O=C(Cc1csc2nc(-c3ccccc3)cn12)N[C@H](CO)Cc1ccccc1	218372839	GUSZCWMYAUUCBK-SFHVURJKSA-N	391.496	3.325	70	50	GGIA	
Cc1ccc(OCC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2c(C)noc2C)C3)cc1C	216917563	SBIHIDUSJIGJRM-UXHICEINSA-N	397.519	3.410	70	50	GGIA	
O=C(C[C@H]1Oc2ccccc2NC1=O)NCCn1ccc2c(Cl)cccc21	218220653	UYXXYGFQKGKXAG-GOSISDBHSA-N	383.835	3.201	70	50	GGIA	
COc1cc2c(c(OC)c1OC)[C@@H](c1cc3cc(C)ccc3[nH]c1=O)CC(=O)O2	218068726	OEQLAUUAWLYHSQ-CYBMUJFWSA-N	395.411	3.303	70	50	GGIA	biogenic
CCc1ccc([C@H]2COCCN2C(=O)Nc2cccc(N3CCCNC3=O)c2)o1	161270019	TTXXYFZHHIUACK-GOSISDBHSA-N	398.463	3.367	70	50	GGIA	
CCCc1cc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)n(C)n1	218558504	YZLHNTAFVMYSRI-RVAKQSJFSA-N	378.476	3.163	70	50	GGIA	
O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1csc2c1CCCC2	218548255	JYQPXLCDCDCJTF-CVEARBPZSA-N	378.519	3.188	70	50	GGIA	
CC[C@@H](O)c1cc2n(n1)CCN(c1nc(-c3ccccc3)nc3c1CCC3)C2	218479819	KDCRVBBGFJRDNE-HXUWFJFHSA-N	375.476	3.292	70	50	GGIA	
COc1c(Cl)cccc1CNC(=O)Nc1ccc(OS(=O)(=O)F)cc1	1875382776	QPDFPEXNHJGCHD-UHFFFAOYSA-N	388.804	3.263	70	50	GGIA	
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)C(C)(C)Oc1ccc3c(c1)CCC3)C2	217996532	OIJSEHOLJCUDAZ-OAHLLOKOSA-N	383.492	3.015	70	50	GGIA	
COc1cc(NC(=O)c2c3c(nc4c2c(C)nn4C)CCC3)cc(OC)c1OC	218448118	ZZBLIXYPIBKFFZ-UHFFFAOYSA-N	396.447	3.044	70	50	GGIA	
Cc1ncsc1CCNC(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1	218331617	HIIDKHWWFJJTFD-GFCCVEGCSA-N	384.427	3.051	70	50	GGIA	
Cn1c(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)ccc1-c1ccccc1	216963820	HNMNNXXVFRYMGO-MOPGFXCFSA-N	377.488	3.165	70	50	GGIA	
COc1ccc2c(c1)c(C(=O)N[C@@H]1CCCCNC1=O)c(C)n2C1CCCC1	160286631	FQPWDVROFPNJLL-GOSISDBHSA-N	383.492	3.472	70	50	GGIA	
CC(C)C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2n1C	218126161	BDHGUGMVNRMKPZ-SFHVURJKSA-N	389.463	3.066	70	50	GGIA	
C[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2n1C)N1Cc2ccccc2C1=O	218596423	LDEJOMSBRUEDAM-YWZLYKJASA-N	388.471	3.281	70	50	GGIA	
O=C(c1ccccc1Br)N1CC(n2cc(-c3ccccc3)nn2)C1	217673302	GPKMQYFOIJTJSQ-UHFFFAOYSA-N	383.249	3.405	70	50	GGIA	
Cc1ccc(NC(=O)N2CCC[C@H]2c2nncn2C)c(OCC(F)(F)F)c1	159891112	WFAKNRSFCVBWML-ZDUSSCGKSA-N	383.374	3.434	70	50	GGIA	
COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)[nH]n2)c1	217764286	JEDHFMAFNADSEX-MGPUTAFESA-N	398.507	3.088	70	50	GGIA	biogenic
CC(C)Cc1nc(NC(=O)CCc2nc(-c3ccc4[nH]ccc4c3)no2)n[nH]1	218539567	FPWGPDIGHKMXFE-UHFFFAOYSA-N	379.424	3.106	70	50	GGIA	
O=C(N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1)C1(c2ccccc2F)CC1	218414429	FIFOKQDHTJKELA-BPZDKFOGSA-N	381.447	3.421	70	50	GGIA	
CC(C)Oc1ccc(C(=O)CC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	43574702	AXYOKMLVICYNGD-UHFFFAOYSA-N	379.409	3.344	70	50	GGIA	
CC[C@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1cn2cccnc2n1	217465836	BVZIRGVTCPIFNY-IBGZPJMESA-N	377.492	3.176	70	50	GGIA	
COc1cn(CC(=O)NCc2cccc(Oc3ccccc3)c2)c(C)cc1=O	218224236	YSDXJHULZMOMMG-UHFFFAOYSA-N	378.428	3.274	70	50	GGIA	
COC(=O)C[C@H](c1c(O)c2ccccc2oc1=O)c1coc2ccccc2c1=O	217789308	DNGDPYHWFVDDTC-AWEZNQCLSA-N	392.363	3.300	70	50	GGIA	biogenic
CCCc1c(C(=O)NC[C@H]2CCN(C)C2)nnn1-c1ccc(C(C)(C)C)cc1	161314133	GTXMTOOFPATUHB-MRXNPFEDSA-N	383.540	3.199	70	50	GGIA	
COc1cccc2c(O)c(C(=O)NCCCc3nc4ccccc4n3C)cnc12	217971769	GIBUQCSBHYMLBC-UHFFFAOYSA-N	390.443	3.198	70	50	GGIA	biogenic
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCn1ccc2ccccc21	218493920	UPNCQQHFRQDBBN-LJQANCHMSA-N	393.487	3.029	70	50	GGIA	
COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)c1c(O)cc(C)oc1=O	218072284	AIJKODHDTOUDEZ-CQSZACIVSA-N	376.405	3.145	70	50	GGIA	biogenic
CC[C@H](O)c1cc2n(n1)CCN(c1nc(-c3ccccc3)nc3c1CCC3)C2	218479878	KDCRVBBGFJRDNE-FQEVSTJZSA-N	375.476	3.292	70	50	GGIA	
COc1ccc2occ([C@@H]3CC(=O)Oc4ccc(C(C)=O)c(O)c43)c(=O)c2c1	217935555	DPQJTGJHGZEEPI-ZDUSSCGKSA-N	380.352	3.151	70	50	GGIA	biogenic
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(S(=O)(=O)Cl)c1	263619744	QVEMZQFAQYTCTG-UHFFFAOYSA-N	375.189	3.428	70	50	GGIA	
CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2n1C	218175692	LBOKHOLOKXYUDJ-QRWLVFNGSA-N	394.475	3.028	70	50	GGIA	
CC(C)CNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12	217635009	MRBLEZOXLZFCOA-OAQYLSRUSA-N	391.471	3.354	70	50	GGIA	biogenic
O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccn(C2CCCC2)n1	159887300	WHKBECVBSYZKKT-QGZVFWFLSA-N	390.846	3.326	70	50	GGIA	
N[C@@H]1CCN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1	160190682	CICBKIGTQNOGFQ-LLVKDONJSA-N	398.816	3.206	70	50	GGIA	
CSc1ccc(Cl)c(C(=O)Nc2cncc(OS(=O)(=O)F)c2)c1	1875387730	UZDPNGTZXVFVQA-UHFFFAOYSA-N	376.818	3.302	70	50	GGIA	
COc1cc(OC)c([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)c(OC)c1	217749043	DGUMRZJYLPHXKC-ZDUSSCGKSA-N	382.368	3.260	70	50	GGIA	biogenic
COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1cccnc1N1CCCCC1	217758408	RDUPCVKGFBIPSN-HNNXBMFYSA-N	384.432	3.201	70	50	GGIA	biogenic
CC(C)CCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12	217850396	LTANBAVNPJNWOX-NRFANRHFSA-N	391.471	3.354	70	50	GGIA	biogenic
O=C(Nc1ccc(OS(=O)(=O)F)cc1)OC[C@@H]1CCN(c2ccccc2)C1	1875382240	VRQAXGWAKZVKNC-CQSZACIVSA-N	394.424	3.355	70	50	GGIA	
COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(N2CCCCC2)ccc1Cl	218728222	LYEZFXOVIYUKNY-WLWJZTKJSA-N	378.900	3.110	70	50	GGIA	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC[C@@H]1CN	160134045	IDBWBDQZIVDQKL-MRXNPFEDSA-N	380.414	3.000	70	50	GGIA	
C[C@@H](C(=O)NCc1nnc2ccccn12)c1ccc(C[C@@H]2CCCC2=O)cc1	218126505	VRRVXUIAYDPYMR-QAPCUYQASA-N	376.460	3.061	70	50	GGIA	
Cc1ccccc1C1(CNC(=O)c2ccc3c(c2)CCC(=O)N3C)CCOCC1	159463701	UKMGASJPDJQJJW-UHFFFAOYSA-N	392.499	3.382	70	50	GGIA	
O=C(N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1)c1ccccc1N1CCCC1	218064763	JFTGVSCHHPTXKB-TZIWHRDSSA-N	384.451	3.392	70	50	GGIA	
COc1cc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc2c1OCCO2	217812512	MPSJISZQACILQS-CYBMUJFWSA-N	380.352	3.014	70	50	GGIA	biogenic
COc1ccc2cc(/C=C/C(=O)N[C@@H]3CC[C@H](CS(=O)(=O)F)C3)ccc2c1	2325887627	AGNFSPFWRWHXFW-MKQQKPNSSA-N	391.464	3.446	70	50	GGIA	
O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	217798172	COHMKRIXOONGBH-LZLYRXPVSA-N	389.927	3.074	70	50	GGIA	biogenic
O=C(NCCc1nnc(-c2ccccc2)o1)N1CCOC2(CCCCCC2)C1	159951045	ZXMRTYTZFQZUIS-UHFFFAOYSA-N	384.480	3.414	70	50	GGIA	
O=C1C[C@@H](c2cc3cccc4c3n(c2=O)CCC4)c2cc3c(cc2O1)OCO3	217900625	ZOWPWFSARYGQAW-CQSZACIVSA-N	375.380	3.117	70	50	GGIA	biogenic
CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(CNS(=O)(=O)CC)cc1	160430776	PPRUJRMORSZWSE-KRWDZBQOSA-N	392.546	3.337	70	50	GGIA	
CC(C)C[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1	218338185	AQTLZCGXUNOEPT-KRWDZBQOSA-N	381.484	3.112	70	50	GGIA	
COc1ccc(Cc2nc(NC(=O)C3(c4ccccc4)CCOCC3)n[nH]2)cc1	218324581	NARIHPFYUJARGD-UHFFFAOYSA-N	392.459	3.091	70	50	GGIA	
CCc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1	217574414	BRHTWTJGFOAPDG-ANULTFPQSA-N	388.467	3.084	70	50	GGIA	
O=C(CSCc1ccccc1Cl)N[C@H]1CCCN(c2ncccn2)C1	218384627	UKWARMAAUMTTGU-HNNXBMFYSA-N	376.913	3.148	70	50	GGIA	
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2n1C	218175742	LBOKHOLOKXYUDJ-YWZLYKJASA-N	394.475	3.028	70	50	GGIA	
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1	217902869	CRGDXJYZYDQUPC-CQSZACIVSA-N	394.379	3.459	70	50	GGIA	biogenic
Cn1ccnc1CN1CCC(C(=O)N2CC=C(c3ccccc3F)CC2)CC1	159706806	YSRKKHAXDYZRNS-UHFFFAOYSA-N	382.483	3.087	70	50	GGIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2oc(=O)ccc2c1	217638866	ODXWHCOOAABYHK-MRXNPFEDSA-N	395.367	3.051	70	50	GGIA	biogenic
COc1ccc(CNc2c(NCc3ccccc3Cl)c(=O)c2=O)cc1OC	218243044	LLBIDFJSXYVZDV-UHFFFAOYSA-N	386.835	3.177	70	50	GGIA	
CC(C)CN1C[C@H](C(=O)NCCCc2nc3ccccc3n2C(C)C)CC1=O	218402044	QHOAETWEHIJMAJ-QGZVFWFLSA-N	384.524	3.171	70	50	GGIA	
CC1CCC(N2CCN(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)CC2)CC1	161272235	NRUVTRADKJFOCT-UHFFFAOYSA-N	382.512	3.210	70	50	GGIA	
Cc1cc(=O)c2ccccc2n1CC(=O)NCCCc1nc2ccccc2o1	218444737	OEDMEYVYDZTDGW-UHFFFAOYSA-N	375.428	3.200	70	50	GGIA	
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1cccc(O)c1)CC(=O)O2	217956184	ZPEBATLLJMUNLY-LJQANCHMSA-N	391.423	3.252	70	50	GGIA	biogenic
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCn1ccc2ccccc21	218493828	UPNCQQHFRQDBBN-IBGZPJMESA-N	393.487	3.029	70	50	GGIA	
COC(=O)N1CC[C@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C1	161029685	PTIRCQKBUUJWLF-AWEZNQCLSA-N	398.488	3.274	70	50	GGIA	
O=S(=O)(F)Oc1ccc(CN2CCO[C@@H](c3ccc(F)cc3F)C2)cc1	1875387638	QPUXXIXCCQGCDW-QGZVFWFLSA-N	387.379	3.131	70	50	GGIA	
Cc1ccc(-c2noc(CCCC(=O)N3CCC[C@H]3c3nc(C)n[nH]3)n2)cc1	218200759	NVMTWKPOACFRGC-INIZCTEOSA-N	380.452	3.158	70	50	GGIA	
Cc1cnn(Cc2cc(C(=O)N(C)Cc3ccccc3N3CCCC3)no2)c1	160756067	JMOGONUPZPGTLM-UHFFFAOYSA-N	379.464	3.100	70	50	GGIA	
COc1c(C)cnc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)c1C	216918426	IIZRPKVZPJSIBH-UXHICEINSA-N	379.504	3.330	70	50	GGIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cc(F)c(F)c(F)c1	218424148	UHUPDHDDDVMBJB-CYBMUJFWSA-N	381.306	3.361	70	50	GGIA	
CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)Cc1nc2cc(Cl)ccc2[nH]1	218270687	LGSGEJQSOFGSCS-SJORKVTESA-N	377.872	3.015	70	50	GGIA	
CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1nc2ccccc2n1C	218386746	VDQBCFSYOCVCTA-IERDGZPVSA-N	390.487	3.440	70	50	GGIA	
COCCn1c([C@H](C)NC(=O)Cc2ccc3c(c2)OCC3)nc2ccccc21	218382914	FFWJCHUXWMTPOH-HNNXBMFYSA-N	379.460	3.038	70	50	GGIA	
O=C(NCCc1cc2ccccc2[nH]1)[C@H](c1cccc(F)c1)N1CCOCC1	159563978	VDRLYADRNXRMSR-NRFANRHFSA-N	381.451	3.039	70	50	GGIA	
COc1cccc(-n2cc(CNC(=O)[C@H](c3ccccc3C)N(C)C)cn2)c1	217165151	SQYOYNVLRTWQOB-NRFANRHFSA-N	378.476	3.108	70	50	GGIA	
CCc1nccn1CCC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1	218382715	ZUCLDQNZDALLSZ-CWZMJNCASA-N	378.476	3.012	70	50	GGIA	
O=C(NCc1ccc(COC2CCOCC2)cc1)c1ccc(-c2ncon2)cc1	161470847	SJFXDWWYXWAEDY-UHFFFAOYSA-N	393.443	3.362	70	50	GGIA	
CCC(=O)N1CC[C@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C1	160808961	XMZMDOYFHARQJS-HNNXBMFYSA-N	396.516	3.445	70	50	GGIA	
Cc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)c(OCc2ccccc2)c1	161167428	URBJYEHMGPWOEH-KRWDZBQOSA-N	377.448	3.302	70	50	GGIA	
O=S(=O)(F)c1cccc(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)n1	2325891962	OZIIIMXZLKTWAF-CQSZACIVSA-N	380.445	3.118	70	50	GGIA	
CC(C)c1nc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)n[nH]1	218236511	KSBXXJPHFXBGCT-UHFFFAOYSA-N	394.460	3.005	70	50	GGIA	
COC(=O)C[C@H](c1ccc(OC)cc1OC)c1c(O)c2ccccc2oc1=O	217840471	YIVCBKAMGFNFIU-OAHLLOKOSA-N	384.384	3.211	70	50	GGIA	biogenic
CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1ccc(O)cc1)CC(=O)O2	217615991	HBALIDGLDHLSDN-CYBMUJFWSA-N	380.352	3.156	70	50	GGIA	biogenic
C[C@H](O)c1cc2n(n1)CCCN(C(=O)C(C)(C)Oc1ccc3c(c1)CCC3)C2	217996610	OIJSEHOLJCUDAZ-HNNXBMFYSA-N	383.492	3.015	70	50	GGIA	
CC(C)(C)OC(=O)NC1CCN(C(=O)c2cnc3c(F)cccc3c2O)CC1	218263220	JBSJTPUFQIDYKK-UHFFFAOYSA-N	389.427	3.209	70	50	GGIA	
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1	218260329	VXWOVWKXFCISNV-LLVKDONJSA-N	381.306	3.011	70	50	GGIA	
COCc1n[nH]c(-c2ccc(NC(=O)c3cnc4ccccc4c3O)cc2)n1	218423621	YBWYFBHWEKTLKI-UHFFFAOYSA-N	375.388	3.124	70	50	GGIA	
O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1CCCN(CC(F)F)CC1	160152104	JJTUPUXBUWWFFS-INIZCTEOSA-N	397.466	3.439	70	50	GGIA	
O=C(NCc1ccccn1)c1cc(Br)c(O)c(Br)c1	160737720	FSRRIPFAOGOKMF-UHFFFAOYSA-N	386.043	3.242	70	50	GGIA	
COCc1n[nH]c(-c2cccc(NC(=O)c3cnc4ccccc4c3O)c2)n1	218284992	QOFMJAJVCUJOJE-UHFFFAOYSA-N	375.388	3.124	70	50	GGIA	
Cn1ccc2c(NC(=O)CC[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)cccc21	218399093	QIRPCRLHIJPXKQ-SFHVURJKSA-N	390.443	3.018	70	50	GGIA	
COc1ccc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc1-n1nc(C)cc1C	217897511	LJJRZIPZDWKLFW-VQTJNVASSA-N	396.535	3.492	70	50	GGIA	biogenic
CC(C)c1ccc(-n2cc(O)c(C(=O)N3CC[C@H](Oc4cccnc4)C3)n2)cc1	161413679	IVNHDWQYIDKXSS-IBGZPJMESA-N	392.459	3.390	70	50	GGIA	
COc1ccccc1[C@@H]1CC(=O)Oc2c(C(C)=O)c(O)c3c(C)cc(=O)oc3c21	217628763	GFETVUKXKJCUSK-ZDUSSCGKSA-N	394.379	3.459	70	50	GGIA	biogenic
O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1	218706379	NOEYYPMYOQXLSZ-DDUZABMNSA-N	379.287	3.429	70	50	GGIA	
COc1ccc(-c2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)[nH]n2)c(OC)c1	217621572	JBAUCMXNUUTCRS-MGPUTAFESA-N	398.507	3.088	70	50	GGIA	biogenic
COc1cc2c(c(OC)c1OC)[C@@H](c1cc3ccc(C)cc3[nH]c1=O)CC(=O)O2	217994486	DSRQLNBWBSOBNE-CYBMUJFWSA-N	395.411	3.303	70	50	GGIA	biogenic
O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCn1ccc2c(Cl)cccc21	218220556	UYXXYGFQKGKXAG-SFHVURJKSA-N	383.835	3.201	70	50	GGIA	
COc1cc2c(c(OC)c1OC)[C@H](c1cc3cc(C)ccc3[nH]c1=O)CC(=O)O2	218068799	OEQLAUUAWLYHSQ-ZDUSSCGKSA-N	395.411	3.303	70	50	GGIA	biogenic
O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CC[C@@H](S(=O)(=O)F)C1	2325887643	IDSHCDZPQUVQDN-GOSISDBHSA-N	387.476	3.481	70	50	GGIA	
O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	217706541	HSWGZGRXERJQHR-FRQCXROJSA-N	389.927	3.074	70	50	GGIA	biogenic
COCCn1c(C)cc(C)c(C(=O)Nc2ccc3[nH]c(C(C)C)nc3c2)c1=O	218540545	AEXAQBJICMSWSD-UHFFFAOYSA-N	382.464	3.364	70	50	GGIA	
Cn1ncnc1NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1	159685766	FCMFXPGBCSKBBK-UHFFFAOYSA-N	393.266	3.045	70	50	GGIA	
Cc1cc(C)nc(Nc2cccc(C(=O)Nc3n[nH]c(C(F)(F)F)n3)c2)n1	218211714	KLMDOOWMESSUAB-UHFFFAOYSA-N	377.330	3.226	70	50	GGIA	
C[C@H]1c2ccc(Cl)n2CCN1C(=O)Nc1ccc(OS(=O)(=O)F)cc1	1875388343	XLFJIIFBAFRGAP-JTQLQIEISA-N	387.820	3.343	70	50	GGIA	
COCCn1c([C@H](C)NC(=O)c2cc(C)nc3onc(C)c23)nc2ccccc21	218551620	CCGAFMUFMLYALG-AWEZNQCLSA-N	393.447	3.327	70	50	GGIA	
CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C12CCCC2	159742907	DOVYSJMOWRRGMO-KCPJHIHWSA-N	385.430	3.387	70	50	GGIA	
Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)c1	159367286	YLRBGJGYFNMZKS-UHFFFAOYSA-N	398.488	3.006	70	50	GGIA	
CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CCCN1Cc1ccccc1	218750043	FLSASQPCFCEADX-FQEVSTJZSA-N	380.467	3.368	70	50	GGIA	
O=C(Nc1ccc(OS(=O)(=O)F)cc1)OC[C@H]1CCN(c2ccccc2)C1	1875382239	VRQAXGWAKZVKNC-AWEZNQCLSA-N	394.424	3.355	70	50	GGIA	
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2oc(C)nc2c1	218335618	VABUMYVRJYJSGK-INIZCTEOSA-N	382.372	3.394	70	50	GGIA	
O=C(NCC1(c2cccc(F)c2)CCOCC1)c1scc2c1OCCO2	218090534	VSXOXHXWPOVPQV-UHFFFAOYSA-N	377.437	3.137	70	50	GGIA	
COc1ccccc1[C@H]1CC(=O)Oc2c(C(C)=O)c(O)c3c(C)cc(=O)oc3c21	217628841	GFETVUKXKJCUSK-CYBMUJFWSA-N	394.379	3.459	70	50	GGIA	biogenic
CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCCN2CCCC[C@H]12)N1Cc2ccccc2C1=O	217761327	HANDTSCJNTVQLR-MOXQZVSFSA-N	397.563	3.438	70	50	GGIA	biogenic
Cc1cc(CN2Cc3cnn(CCO)c3C2)c(C)c(CN2CCC[C@@H](C)C2)c1	217528944	RDIFRFKOCSYQOM-QGZVFWFLSA-N	382.552	3.240	70	50	GGIA	
O=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCCN(CC(F)F)CC1	160152258	JJTUPUXBUWWFFS-MRXNPFEDSA-N	397.466	3.439	70	50	GGIA	
COc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c(OC)c1OC	218628413	PIPMBFCWKFHJLO-LIRZEXBASA-N	375.465	3.036	70	50	GGIA	
Cc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c(OCc2ccccc2)c1	161167319	URBJYEHMGPWOEH-QGZVFWFLSA-N	377.448	3.302	70	50	GGIA	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2CCCN2[C@H]3C(=O)c2ccccc2)cc1C	217478529	ZHQNWZMABXGLTE-IVAOSVALSA-N	388.467	3.139	70	50	GGIA	
CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(CNS(=O)(=O)CC)cc1	160430648	PPRUJRMORSZWSE-QGZVFWFLSA-N	392.546	3.337	70	50	GGIA	
CC(C)[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C	218318602	LHHDUFDSWWODDV-LPHOPBHVSA-N	392.507	3.093	70	50	GGIA	
C[C@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)[C@@H]1CCCO1	160237876	FEILHLZCRXKFTO-WFASDCNBSA-N	393.285	3.383	70	50	GGIA	
COc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1Cc1ccccc1	161103890	AVJAADUOZOKFFQ-GOSISDBHSA-N	377.448	3.014	70	50	GGIA	
COc1cccc(-n2cc(CN(C)C(=O)[C@@H]3CCc4ccccc4O3)cn2)c1	216985646	CHQVGXHTSQXYMB-NRFANRHFSA-N	377.444	3.233	70	50	GGIA	
CC(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)NCc3ccccc3C)C2)s1	216848545	DGUGICAQWMXYJE-WBVHZDCISA-N	384.501	3.474	70	50	GGIA	
CC(C)Cc1ccc(-c2cc(C(=O)Nc3n[nH]c([C@@H]4CCCO4)n3)[nH]n2)cc1	218398282	KLWUUVDZJNEFBB-KRWDZBQOSA-N	380.452	3.497	70	50	GGIA	
Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	160276992	CICJOTMVSZKLLM-WMQCIHAUSA-N	381.524	3.029	70	50	GGIA	
COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c(O)c2ccccc2oc1=O	217744069	FLUPBCQKNOSEBQ-AWEZNQCLSA-N	391.379	3.035	70	50	GGIA	biogenic
O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	217706624	HSWGZGRXERJQHR-TXPKVOOTSA-N	389.927	3.074	70	50	GGIA	biogenic
CSc1cccc(N2C[C@H](C(=O)Nc3cccc(-c4nc[nH]n4)c3)CC2=O)c1	218203667	QMTWJHNBDGAWHB-CQSZACIVSA-N	393.472	3.185	70	50	GGIA	
CC(C)n1c(CNC(=O)c2ccc(Cl)cc2-n2cnnn2)nc2ccccc21	218143388	GUOUCMCOMVCNGU-UHFFFAOYSA-N	395.854	3.176	70	50	GGIA	
CC(C)[C@H](NC(=O)[C@H](C)N1Cc2ccccc2C1=O)c1nc2ccccc2n1C	218274459	FFUFEIDECBPFJO-YWZLYKJASA-N	390.487	3.431	70	50	GGIA	
Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	160277265	CICJOTMVSZKLLM-YYWHXJBOSA-N	381.524	3.029	70	50	GGIA	
COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1c(O)cc(C)oc1=O	218072357	AIJKODHDTOUDEZ-AWEZNQCLSA-N	376.405	3.145	70	50	GGIA	biogenic
CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1	218337212	LNHZXGHOIHXWHN-AVYPCKFXSA-N	394.475	3.408	70	50	GGIA	
CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1cccc(O)c1)CC(=O)O2	217846183	IEQMYPYXTDJDAK-CYBMUJFWSA-N	380.352	3.156	70	50	GGIA	biogenic
Cc1cc(O)cc(=O)n1CCCC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1	218598600	WGOSYHSNWPFOCX-IBGZPJMESA-N	396.491	3.422	70	50	GGIA	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCN1C(=O)Cc1cccs1	161023115	SDRDGYAJUORTDJ-AEFFLSMTSA-N	390.549	3.280	70	50	GGIA	
COc1cc2nc(C)n(CC(=O)Nc3cccc(SC)c3)c(=O)c2cc1OC	218243743	PRXCMXITQOCZNQ-UHFFFAOYSA-N	399.472	3.083	70	50	GGIA	
Cc1ccc(C(F)(F)F)cc1C(=O)N1CCC(CO)(CN2CCCC2)CC1	218190789	KDBYRMAPMRLVCC-UHFFFAOYSA-N	384.442	3.324	70	50	GGIA	
COc1ccc2c(c1)c(C(=O)N[C@H]1CCCCNC1=O)c(C)n2C1CCCC1	160286755	FQPWDVROFPNJLL-SFHVURJKSA-N	383.492	3.472	70	50	GGIA	
Cc1nnc(-c2ccc(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cc2)o1	160559112	AIOZRSNLIWHHLJ-UHFFFAOYSA-N	391.427	3.486	70	50	GGIA	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC[C@H]1CN	160134177	IDBWBDQZIVDQKL-INIZCTEOSA-N	380.414	3.000	70	50	GGIA	
CCc1nnc([C@H](C)S(=O)(=O)Cc2cnc(-c3ccc(Cl)cc3)nc2)o1	159419427	UHWARVMVCGKEDJ-NSHDSACASA-N	392.868	3.418	70	50	GGIA	
COc1ccc(CNc2c(NCc3ccc(Cl)cc3)c(=O)c2=O)cc1OC	218394610	XPVZAZGVQXFERK-UHFFFAOYSA-N	386.835	3.177	70	50	GGIA	
COc1cccc(N2CCN(Cc3c(C)nn(C)c3Oc3cccnc3)CC2)c1	160698680	QVROKCNOXYLTKO-UHFFFAOYSA-N	393.491	3.247	70	50	GGIA	
Cc1cc(O)cc(=O)n1CCCC(=O)N[C@H](c1nc2ccccc2n1C)C(C)C	218485119	GUNCBRSMAOHPFK-NRFANRHFSA-N	396.491	3.043	70	50	GGIA	
Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cc2c(F)cccc2Cl)cn1	218223759	GXIUGFITZHETRH-MSOLQXFVSA-N	378.831	3.078	70	50	GGIA	
CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1cccc(O)c1)CC(=O)O2	217846099	IEQMYPYXTDJDAK-ZDUSSCGKSA-N	380.352	3.156	70	50	GGIA	biogenic
COC(=O)[C@H](Cc1ccc(OC)cc1)N(C[B-](F)(F)F)C(=O)OC(C)(C)C	299803958	MWVPDQXCGLXHHP-AWEZNQCLSA-N	390.187	3.403	70	50	GGIA	
O=C(COc1ccccc1-n1cnnc1)NCCn1ccc2c(Cl)cccc21	218553015	JEENXLCYXKHNJL-UHFFFAOYSA-N	395.850	3.071	70	50	GGIA	
Cc1cc(C)cc(CSCC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1	218260860	XZSMFTFKHILUDR-LJQANCHMSA-N	376.566	3.107	70	50	GGIA	
CCc1nccn1CCC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1	218382780	ZUCLDQNZDALLSZ-QRFVXNFXSA-N	378.476	3.012	70	50	GGIA	
COc1ccc([C@@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C2CC(O)C2)cn1	218659201	YBAGNMFDRJNZGH-CPAJTMIGSA-N	379.460	3.430	70	50	GGIA	
COc1cccc(-n2cc(CN(C)C(=O)[C@H]3CCc4ccccc4O3)cn2)c1	216985658	CHQVGXHTSQXYMB-OAQYLSRUSA-N	377.444	3.233	70	50	GGIA	
CC(C)C[C@H](NC(=O)c1ccccc1-n1cnnn1)c1nc2ccccc2[nH]1	218603390	ZUVAHIRVKACAIE-KRWDZBQOSA-N	375.436	3.056	70	50	GGIA	
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc2ncccc12	218407962	GFIPHRXACGDCTK-IBGZPJMESA-N	388.427	3.074	70	50	GGIA	
O=C(CC1(n2cccc2)CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1	218161772	ZJBKOJREJIKUOA-UHFFFAOYSA-N	387.911	3.386	70	50	GGIA	
Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)c2sc(C(C)C)nc2C)cn1	218042233	BUYIQIXVDJLYRK-CVEARBPZSA-N	375.494	3.245	70	50	GGIA	
CC(C)CCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12	217850284	LTANBAVNPJNWOX-OAQYLSRUSA-N	391.471	3.354	70	50	GGIA	biogenic
CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)C2)CC1	160617184	TZWPAABLGOTPGK-GOSISDBHSA-N	396.539	3.458	70	50	GGIA	
CC[C@@H](O)c1cc2n(n1)CCCN(c1cc(C)nc(-c3ccccc3O)n1)C2	218761189	MGZQPVKCWKIGIS-GOSISDBHSA-N	379.464	3.208	70	50	GGIA	
CC(C)[C@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2n1C(C)C	218273180	UVVKRLYYVYSZMF-SFHVURJKSA-N	377.452	3.182	70	50	GGIA	
COc1ccc2occ([C@H]3CC(=O)Oc4ccc(C(C)=O)c(O)c43)c(=O)c2c1	217935622	DPQJTGJHGZEEPI-CYBMUJFWSA-N	380.352	3.151	70	50	GGIA	biogenic
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c(O)c2ccccc2oc1=O	217810113	XGTUEKDRTNONDL-AWEZNQCLSA-N	384.384	3.211	70	50	GGIA	biogenic
CC[C@@H](C)[C@@H](CO)NC(=O)c1cnn(-c2ccc(Br)cc2F)c1C	218305567	CVVCVTHFQAFINZ-MEBBXXQBSA-N	398.276	3.219	70	50	GGIA	
CC(C)[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nc2ccccc2n1C	218565309	BPTLBKATMUUMJB-XLIONFOSSA-N	376.460	3.261	70	50	GGIA	
Cc1cc(C)cc(CSCC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1	218260806	XZSMFTFKHILUDR-IBGZPJMESA-N	376.566	3.107	70	50	GGIA	
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCc1c[nH]c2ccccc12	217986014	LATBORMRYZJRQU-GOSISDBHSA-N	393.487	3.098	70	50	GGIA	biogenic
CCCc1c(C(=O)NC[C@@H]2CCN(C)C2)nnn1-c1ccc(C(C)(C)C)cc1	161314007	GTXMTOOFPATUHB-INIZCTEOSA-N	383.540	3.199	70	50	GGIA	
COC(=O)[C@@H](NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1)C(C)C	218171623	UNFUFYJYOVMDLY-IBGZPJMESA-N	379.412	3.387	70	50	GGIA	
O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(OS(=O)(=O)F)cc1	1875384339	FKWUQRXRXANAGF-UHFFFAOYSA-N	399.268	3.156	70	50	GGIA	
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(-c2ccccc2)o1	217682800	BCGPRSWVQZURJJ-ZDUSSCGKSA-N	379.368	3.253	70	50	GGIA	biogenic
O=c1cc(CN2CCCCCC2)oc(CN2CCN(c3ccccc3)CC2)c1O	218148640	ATXBRVXFCXTEKC-UHFFFAOYSA-N	397.519	3.044	70	50	GGIA	
COc1ccc(N2C[C@@H](NC(=O)C3(c4ccccc4)CCCC3)CC2=O)cc1	218731447	GDJUEJXOZLLXOZ-SFHVURJKSA-N	378.472	3.429	70	50	GGIA	
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc2[nH]ccc12	218172069	XTDSBPCUWPBMFD-SFHVURJKSA-N	376.416	3.007	70	50	GGIA	
Cc1c(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)nnn1C1CCNCC1	161333684	VHIXPLZTLSKBRO-UHFFFAOYSA-N	387.459	3.224	70	50	GGIA	
O=C(NCc1cccnc1)c1cc(Br)c(O)c(Br)c1	160741414	XLCPBOVVWCZCAS-UHFFFAOYSA-N	386.043	3.242	70	50	GGIA	
COc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3c3cccnc3)CC2=O)cc1	218084977	HDQWLMAIFQDMNR-XLIONFOSSA-N	379.460	3.197	70	50	GGIA	biogenic
CN(CCCc1cc(-c2ccccc2)no1)[C@H]1CCCN(c2cnn(C)c2)C1=O	160149479	HLFMZVPZEVJBLY-NRFANRHFSA-N	393.491	3.135	70	50	GGIA	
COc1cc2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n(C)c2cc1OC	217798913	QOJNPOIRHXXSKM-DOTOQJQBSA-N	385.508	3.190	70	50	GGIA	biogenic
Cc1ccc(-c2nc(CCn3cccn3)n(Cc3ccc4c(c3)OCO4)n2)o1	217048108	GQCUWFGWKXSPDL-UHFFFAOYSA-N	377.404	3.063	70	50	GGIA	
Cc1csc(SCC(=O)N[C@H]2CC[C@@H](C(=O)NCc3ccccc3)C2)n1	216931551	RQOJKAWIYQUELI-CVEARBPZSA-N	389.546	3.145	70	50	GGIA	
CC(C)NC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12	217683708	JJJVGUZWIYERHF-FQEVSTJZSA-N	377.444	3.106	70	50	GGIA	biogenic
COCCn1c([C@H](C)NC(=O)CCc2ccc3c(c2)CCO3)nc2ccccc21	218392308	XTMWJRJHEZRYSI-INIZCTEOSA-N	393.487	3.428	70	50	GGIA	
C[SiH](c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F	169816629	HLWFCNUSBUPHNL-UHFFFAOYSA-N	378.241	3.049	70	50	GGIA	
CC1CCN(c2cccc(NC(=O)N3CCC(c4nncn4C)CC3)c2)CC1	159740473	ZGCSOCWZOYDTJW-UHFFFAOYSA-N	382.512	3.463	70	50	GGIA	
CCC(=O)N1CC[C@@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C1	160809099	XMZMDOYFHARQJS-OAHLLOKOSA-N	396.516	3.445	70	50	GGIA	
COc1ccccc1CCN1C[C@@H](C(=O)Nc2c(C)nn(C(C)C)c2C)CC1=O	218252155	PDDUGNVCQFSIFI-SFHVURJKSA-N	398.507	3.119	70	50	GGIA	
O=C(NCc1ccncc1)c1cc(Br)c(O)c(Br)c1	160739899	VFLRMIWREPANNV-UHFFFAOYSA-N	386.043	3.242	70	50	GGIA	
O=C1C[C@H](c2cc3cccc4c3n(c2=O)CCC4)c2cc3c(cc2O1)OCO3	217900691	ZOWPWFSARYGQAW-AWEZNQCLSA-N	375.380	3.117	70	50	GGIA	biogenic
CCOC(=O)C(C(C)=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1	97976867	VYUXEJJDPPUFRH-UHFFFAOYSA-N	390.419	3.305	70	50	GGIA	
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccc(O)cc1)CC(=O)O2	217944543	PMSQULRAUXNDQN-LJQANCHMSA-N	391.423	3.252	70	50	GGIA	biogenic
Cc1ccc(-c2noc(CCCC(=O)N3CCC[C@@H]3c3nc(C)n[nH]3)n2)cc1	218200821	NVMTWKPOACFRGC-MRXNPFEDSA-N	380.452	3.158	70	50	GGIA	
O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CC[C@H](Oc2ccccc2F)C1	1875382811	SLCYHQNHKFOUJJ-AWEZNQCLSA-N	398.387	3.104	70	50	GGIA	
O=C(CCCc1nc(-c2ccccc2)no1)NC[C@@H]1CCCN2CCCC[C@H]12	217608959	BUDHMTPSPADVKZ-RBUKOAKNSA-N	382.508	3.440	70	50	GGIA	biogenic
Cc1[nH]c2ccc(C(=O)N3CCCn4nc([C@@H](O)C5CC5)cc4C3)cc2c1C	218499214	WOTJXAVJBSHBLM-NRFANRHFSA-N	378.476	3.471	70	50	GGIA	
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1cccc(O)c1)CC(=O)O2	217956104	ZPEBATLLJMUNLY-IBGZPJMESA-N	391.423	3.252	70	50	GGIA	biogenic
O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	217001395	DAUFEPNNKJRASN-FNDUUJAJSA-N	376.815	3.036	70	50	GGIA	
CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC1CCCCCCC1	218420497	XEGQECFBEVWRFJ-UHFFFAOYSA-N	377.510	3.242	70	50	GGIA	
C[C@@H]1c2ccc(Cl)n2CCN1C(=O)Nc1ccc(OS(=O)(=O)F)cc1	1875388344	XLFJIIFBAFRGAP-SNVBAGLBSA-N	387.820	3.343	70	50	GGIA	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@@H]1CCOc2c(Cl)cccc21	1351482107	VFZYOCULZRMOPM-OAHLLOKOSA-N	383.828	3.181	70	50	GGIA	
Cc1ccccc1N1C(=O)Nc2cccc[n+]2[B-]1(c1ccccc1)c1ccccc1	195752877	SNMHUYFOEPXSMI-UHFFFAOYSA-N	391.283	3.439	70	50	GGIA	
C[Si](C)(C)c1cccc(Br)c1OS(=O)(=O)C(F)(F)F	238730556	ZNKAHJCGEPVEBA-UHFFFAOYSA-N	377.254	3.223	70	50	GGIA	
CC1CCN(Cc2ccc(C(=O)NCc3nc(-c4ccccc4)n[nH]3)o2)CC1	217805117	SGYRDLICTNJGGN-UHFFFAOYSA-N	379.464	3.227	70	50	GGIA	
COc1ccc(N2C[C@H](NC(=O)C3(c4ccccc4)CCCC3)CC2=O)cc1	218731515	GDJUEJXOZLLXOZ-GOSISDBHSA-N	378.472	3.429	70	50	GGIA	
Cc1ccc(C)c(-n2ncc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)c2C)c1	160027960	JTQAKBFPTSYYSY-UHFFFAOYSA-N	376.416	3.381	70	50	GGIA	
Cc1cc2c(c(=O)o1)[C@H](c1cc3ccccc3n(CC(C)C)c1=O)CC(=O)O2	218051678	VXDQKLRLFRPJHO-HNNXBMFYSA-N	379.412	3.360	70	50	GGIA	biogenic
Cc1c(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)sc2nc[nH]c(=O)c12	218471860	JVLWHZKLWJKYIY-AWEZNQCLSA-N	381.461	3.296	70	50	GGIA	
O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)C(=O)N1CCC2(CCC2)C1	159423064	RSXDHQXVUDKCMR-UHFFFAOYSA-N	386.839	3.263	70	50	GGIA	
CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CCc4ccccc4C3)C2=O)cc1	218439037	CZQWMYICUMNYJX-FQEVSTJZSA-N	391.471	3.210	70	50	GGIA	
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1OS(=O)(=O)F	1875390010	IMTKXFVYLYYFCD-UHFFFAOYSA-N	379.287	3.431	70	50	GGIA	
O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	217906211	ZYZUPOYQAQQFRW-FRQCXROJSA-N	389.927	3.074	70	50	GGIA	biogenic
COc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3Cl)c2C)c(C)n1	160678771	URJUMNQGKGVASU-UHFFFAOYSA-N	392.868	3.347	70	50	GGIA	
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1cccnc1	217833910	SRVKVKVOFPTQAG-OAQYLSRUSA-N	398.422	3.225	70	50	GGIA	biogenic
Cc1c(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)sc2nc[nH]c(=O)c12	218530852	ATVKLBLUHWZQIE-HNNXBMFYSA-N	395.488	3.307	70	50	GGIA	
COCCn1ccc2c(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)cccc21	218612748	YHBZSHLJNQYPAE-UHFFFAOYSA-N	390.443	3.096	70	50	GGIA	
CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1ccc(O)cc1)CC(=O)O2	217615901	HBALIDGLDHLSDN-ZDUSSCGKSA-N	380.352	3.156	70	50	GGIA	biogenic
COc1ccc(CNc2c(NCc3cccc(Cl)c3)c(=O)c2=O)cc1OC	218123164	WMRBEOSFYKGSIZ-UHFFFAOYSA-N	386.835	3.177	70	50	GGIA	
Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NC3(CO)CC3)c12	160465328	WQSHESOEJMMGCF-UHFFFAOYSA-N	391.349	3.472	70	50	GGIA	
COCCn1c([C@H](C)NC(=O)c2ccc3c(c2)OCCCO3)nc2ccccc21	218133542	JNMZYBFIXPIVBI-HNNXBMFYSA-N	395.459	3.335	70	50	GGIA	
O=S(=O)(Cc1csc(COc2ccc(Cl)cc2)n1)C1CCOCC1	160043891	VGAHVUVQJFJCQO-UHFFFAOYSA-N	387.910	3.469	70	50	GGIA	
O=S(=O)(F)c1cccc(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)n1	2325891961	OZIIIMXZLKTWAF-AWEZNQCLSA-N	380.445	3.118	70	50	GGIA	
CC[C@H](C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1	218151126	PLGWOJJWAANREA-XOBRGWDASA-N	389.459	3.176	70	50	GGIA	
O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@H]1CCCN1C(=O)Cc1cccs1	161023260	SDRDGYAJUORTDJ-FUHWJXTLSA-N	390.549	3.280	70	50	GGIA	
COC(=O)C[C@@H](c1c(O)c2ccccc2oc1=O)c1coc2ccccc2c1=O	217789387	DNGDPYHWFVDDTC-CQSZACIVSA-N	392.363	3.300	70	50	GGIA	biogenic
COCCn1cc(C(=O)N[C@H](CO)Cc2ccccc2)c2cc(Cl)ccc21	218284774	XHFWAXDOZJWKDY-KRWDZBQOSA-N	386.879	3.275	70	50	GGIA	
COc1cc(OC)c2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n(C)c2c1	217775667	JXCXYVGZJZLGQH-MAUKXSAKSA-N	385.508	3.190	70	50	GGIA	biogenic
Cc1cc(C)n(CCCC(=O)NCCn2ccc3ccc(Cl)cc32)c(=O)n1	218521673	XZTNHETVBICWMK-UHFFFAOYSA-N	386.883	3.065	70	50	GGIA	
COc1ccc2cc([C@@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)c(=O)[nH]c2c1	217815982	QGTBBBQECXYDBL-AWEZNQCLSA-N	389.363	3.084	70	50	GGIA	biogenic
COc1ccc2occ([C@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)c(=O)c2c1	217802870	CMSFYFODJAORRP-CYBMUJFWSA-N	390.347	3.349	70	50	GGIA	biogenic
COc1cc(OC)cc([C@@H](c2sc3ncnn3c2O)N2CCCCCC2)c1	218486863	ZFQYYYQCCIZWCY-INIZCTEOSA-N	388.493	3.479	70	50	GGIA	
O=C(Nc1cccc(S(=O)(=O)F)c1)C1(c2ccc(F)cc2)CCOCC1	460091280	JOWCDOVJAAZLAU-UHFFFAOYSA-N	381.400	3.171	70	50	GGIA	
O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccn(C2CCCC2)n1	159887174	WHKBECVBSYZKKT-KRWDZBQOSA-N	390.846	3.326	70	50	GGIA	
COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)Cc2ccccc2)cc1Cl	218398553	UHAYOOQRGKKHOO-HNNXBMFYSA-N	385.851	3.072	70	50	GGIA	
CC(C)[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C	218318519	LHHDUFDSWWODDV-APWZRJJASA-N	392.507	3.093	70	50	GGIA	
CCOC(=O)Cc1csc(NC(=O)CCn2ccc3cccc(OC)c32)n1	218182253	AFCBQDCATOGJEH-UHFFFAOYSA-N	387.461	3.241	70	50	GGIA	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@H]1CCOc2c(Cl)cccc21	1351481764	VFZYOCULZRMOPM-HNNXBMFYSA-N	383.828	3.181	70	50	GGIA	
O=C(Nc1n[nH]c(Cc2ccc(F)cc2)n1)c1cccc(Nc2ncccn2)c1	218163166	BKBSISUQXSKWRF-UHFFFAOYSA-N	389.394	3.321	70	50	GGIA	
O=C(Nc1cccc(CN2CCOCC2)c1)c1cnn(-c2ccc(F)cc2F)c1	161003600	MHAGWFDUPCJPDU-UHFFFAOYSA-N	398.413	3.235	70	50	GGIA	
COc1ccc(-n2ncc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c2C)cc1	217660290	VFDCJOLMWUQVJV-LAUBAEHRSA-N	382.508	3.184	70	50	GGIA	biogenic
COc1ccc2ncc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)c(O)c2c1	217881114	SJYXDDDGYXCDDB-UHFFFAOYSA-N	394.427	3.165	70	50	GGIA	biogenic
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1ccccc1O	217819242	MEWJWBZYLUUYDY-NRFANRHFSA-N	399.406	3.146	70	50	GGIA	biogenic
C[C@@H](NCc1cccc(S(=O)(=O)F)n1)c1nnc(-c2ccccc2)s1	2325891752	DNJHHFBQXBNYOD-LLVKDONJSA-N	378.454	3.109	70	50	GGIA	
O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	218016780	DAUFEPNNKJRASN-PHEKWQANSA-N	376.815	3.036	70	50	GGIA	
O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCc2c([nH]c3ccccc23)C1	218315564	NQFKQNXVLSKPRG-UHFFFAOYSA-N	395.894	3.413	70	50	GGIA	biogenic
CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(-c3ccco3)[nH]c2=O)n1	160991156	VAMHFGKLHOGSDD-UHFFFAOYSA-N	375.388	3.235	70	50	GGIA	
O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CC[C@@H](Oc2ccccc2F)C1	1875382812	SLCYHQNHKFOUJJ-CQSZACIVSA-N	398.387	3.104	70	50	GGIA	
CC(C)[C@H](NC(=O)CCN1Cc2ccccc2C1=O)c1nc2ccccc2n1C	218216667	VXIRZYMLHUSWOK-NRFANRHFSA-N	390.487	3.433	70	50	GGIA	
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(-c2ccccc2)o1	217682719	BCGPRSWVQZURJJ-CYBMUJFWSA-N	379.368	3.253	70	50	GGIA	biogenic
CCCc1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)n(C)n1	218558428	YZLHNTAFVMYSRI-ZYKWQNGHSA-N	378.476	3.163	70	50	GGIA	
CCCCc1nc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)c[nH]1	218766133	IZHYUXPKOBMMAJ-JOCHJYFZSA-N	379.508	3.436	70	50	GGIA	
CC(C)C[C@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2[nH]1	218438538	KCTOQCFFWBFXKN-KRWDZBQOSA-N	393.426	3.195	70	50	GGIA	
CC[C@H](C)[C@H](NC(=O)c1cccc(-n2nnnc2C)c1)c1nc2ccccc2[nH]1	218421094	TXMCEKCFOBYSGN-DJJJIMSYSA-N	389.463	3.364	70	50	GGIA	
O=C(NCCc1cc2ccccc2[nH]1)[C@@H](c1cccc(F)c1)N1CCOCC1	159563858	VDRLYADRNXRMSR-OAQYLSRUSA-N	381.451	3.039	70	50	GGIA	
Cc1[nH]c2ccc(C(=O)N3CCCn4nc([C@H](O)C5CC5)cc4C3)cc2c1C	218499286	WOTJXAVJBSHBLM-OAQYLSRUSA-N	378.476	3.471	70	50	GGIA	
O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1	218706302	NOEYYPMYOQXLSZ-YEWWUXTCSA-N	379.287	3.429	70	50	GGIA	
CC[C@@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1cn2cccnc2n1	217465750	BVZIRGVTCPIFNY-LJQANCHMSA-N	377.492	3.176	70	50	GGIA	
CN(Cc1cc(-c2ccccc2)on1)C(=O)c1cn2c3c(cccc3c1=O)CC2	217560209	VIHLZEOHEUPGGB-UHFFFAOYSA-N	385.423	3.485	70	50	GGIA	
Cn1nc(C(F)F)c2cc(C(=O)Nc3cccc(S(=O)(=O)F)c3)sc21	460090019	GMCDJEKIMDSTRR-UHFFFAOYSA-N	389.380	3.483	70	50	GGIA	
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1	217902800	CRGDXJYZYDQUPC-AWEZNQCLSA-N	394.379	3.459	70	50	GGIA	biogenic
O=C(NC1(CO)CC1)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2	160431776	XZYOSKFHCZPHNL-UHFFFAOYSA-N	399.800	3.288	70	50	GGIA	
Cc1ccc(N(C)C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1N(C)C	160788213	JWGRLKUKLUQHHD-IAGOWNOFSA-N	382.508	3.346	70	50	GGIA	
CC(C)[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nc2ccccc2n1C	218378446	PHORVEPCVLAFBG-IBGZPJMESA-N	378.432	3.031	70	50	GGIA	
CN(c1ccc(OS(=O)(=O)F)cc1)S(=O)(=O)c1ccc2ccccc2c1	1875368372	MLWYUHRGQWVUOO-UHFFFAOYSA-N	395.433	3.258	70	50	GGIA	
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(-c2c[nH]cn2)cc1	218283834	GZABSMJERSLQIM-KRWDZBQOSA-N	393.399	3.334	70	50	GGIA	
COc1ccc2cc([C@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)c(=O)[nH]c2c1	217816082	QGTBBBQECXYDBL-CQSZACIVSA-N	389.363	3.084	70	50	GGIA	biogenic
COc1ccc(OC)c2c1cc(C(=O)NC[C@@H]1CCCN3CCCC[C@H]13)n2C	217745641	BEKFPQCMQDPWQD-DOTOQJQBSA-N	385.508	3.190	70	50	GGIA	biogenic
CCc1ccc([C@@H]2COCCN2C(=O)Nc2cccc(N3CCCNC3=O)c2)o1	161269909	TTXXYFZHHIUACK-SFHVURJKSA-N	398.463	3.367	70	50	GGIA	
COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc1OC	217895541	YHPWCOWFBXAUTA-FUHWJXTLSA-N	398.507	3.088	70	50	GGIA	biogenic
COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3c3cccnc3)CC2=O)cc1	218085059	HDQWLMAIFQDMNR-PXNSSMCTSA-N	379.460	3.197	70	50	GGIA	biogenic
COc1cccc(-n2cc(CNC(=O)[C@@H](c3ccccc3C)N(C)C)cn2)c1	217165140	SQYOYNVLRTWQOB-OAQYLSRUSA-N	378.476	3.108	70	50	GGIA	
CC(C)c1cc(=O)n(Cc2ccccc2Cn2cnc(C(C)C)cc2=O)cn1	160849196	MNMYJXZECPATNN-UHFFFAOYSA-N	378.476	3.143	70	50	GGIA	
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1ccc(F)c(F)c1F	218435348	LDRGGASRSBJHAQ-GFCCVEGCSA-N	380.366	3.314	70	50	GGIA	
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1	218228023	WLRMNLYZZFNLHJ-BXWFABGCSA-N	392.507	3.473	70	50	GGIA	
O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1ccc2cc[nH]c2c1	217909737	YYRHXSCIQPCXOQ-SFHVURJKSA-N	390.443	3.050	70	50	GGIA	biogenic
C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc(-n2ccnc2)cc1	161259186	YJZKUOCRXLSHDC-SFHVURJKSA-N	391.519	3.015	70	50	GGIA	
Cc1[nH]nc(CCC(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)c1C	218656734	DHEHTFPGVRCMFE-CWZMJNCASA-N	378.476	3.136	70	50	GGIA	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1CCCN1C(=O)Cc1cccs1	161022981	SDRDGYAJUORTDJ-SJLPKXTDSA-N	390.549	3.280	70	50	GGIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2occc(=O)c2c1	217875715	PZDSZBXLDYAAHW-QGZVFWFLSA-N	395.367	3.051	70	50	GGIA	biogenic
Cc1ncsc1CCNC(=O)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1	218331713	HIIDKHWWFJJTFD-LBPRGKRZSA-N	384.427	3.051	70	50	GGIA	
COc1cc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc2c1OCCO2	217812432	MPSJISZQACILQS-ZDUSSCGKSA-N	380.352	3.014	70	50	GGIA	biogenic
O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CC[C@H](S(=O)(=O)F)C1	2325887644	IDSHCDZPQUVQDN-SFHVURJKSA-N	387.476	3.481	70	50	GGIA	
COc1ccc2c(O)c(C(=O)N3CCc4cc(OC)c(OC)cc4C3)cnc2c1	217702492	WVLPYJIVTQJJSE-UHFFFAOYSA-N	394.427	3.165	70	50	GGIA	biogenic
Cc1ccc(N(C)C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1N(C)C	160788346	JWGRLKUKLUQHHD-IRXDYDNUSA-N	382.508	3.346	70	50	GGIA	
CC[C@H](C)[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1	218125124	DMDAJORIBDDOOG-YOEHRIQHSA-N	381.484	3.112	70	50	GGIA	
C[C@@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)[C@@H]1CCCO1	160238022	FEILHLZCRXKFTO-DOMZBBRYSA-N	393.285	3.383	70	50	GGIA	
COc1cc(F)c(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c(F)c1	218621174	ZSEYDHLAPCXENZ-MSOLQXFVSA-N	377.387	3.078	70	50	GGIA	
O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nc(-c2ccncc2)cs1	218178802	ZYKXIPNGCOIHQL-UHFFFAOYSA-N	383.481	3.171	70	50	GGIA	
CCCn1ncc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)c1C	218592298	BEDJRAKLSFAHHE-IAYYMHMVSA-N	378.476	3.392	70	50	GGIA	
C[C@H](NCc1cccc(S(=O)(=O)F)n1)c1nnc(-c2ccccc2)s1	2325891753	DNJHHFBQXBNYOD-NSHDSACASA-N	378.454	3.109	70	50	GGIA	
O=C(Nc1ccc(S(=O)(=O)F)cc1[N+](=O)[O-])c1ccc2ccccc2c1O	100476285	LYEFVXNLPOHNLG-UHFFFAOYSA-N	390.348	3.364	70	50	GGIA	
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2occc(=O)c2c1	217875790	PZDSZBXLDYAAHW-KRWDZBQOSA-N	395.367	3.051	70	50	GGIA	biogenic
COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(O)c2ccccc2oc1=O	217743977	FLUPBCQKNOSEBQ-CQSZACIVSA-N	391.379	3.035	70	50	GGIA	biogenic
COc1cc2c(cc1OC)CN(C(=O)c1cnc3c(OC)cccc3c1O)CC2	217895648	ADRLRHWWICJOOZ-UHFFFAOYSA-N	394.427	3.165	70	50	GGIA	biogenic
COc1ccc2c(ccn2CCNC(=O)CCn2ccc(=O)c3ccccc32)c1	218523292	WMGFEQOPDQXIJM-UHFFFAOYSA-N	389.455	3.171	70	50	GGIA	
COCCn1c([C@H](C)NC(=O)c2c[nH]c(=O)c3ccccc23)nc2ccccc21	218214470	QYLVKSBQLSOZLS-AWEZNQCLSA-N	390.443	3.015	70	50	GGIA	
COc1ccc(S(=O)(=O)F)cc1NC(=O)c1ccc2ccccc2c1O	100410556	UPDDSBQCKZFKOS-UHFFFAOYSA-N	375.377	3.465	70	50	GGIA	
O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1cc(-c2ccccn2)ccc1Cl	159518662	OLQUMZNSYBKQQN-CQSZACIVSA-N	394.880	3.031	70	50	GGIA	
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2[nH]1	218572513	IDCHJUYFGUFMKT-KRWDZBQOSA-N	395.854	3.319	70	50	GGIA	
COc1cc2c(cc1O)CCN(Cc1ccc(OS(=O)(=O)F)cc1)[C@@H]2C	1875387546	MUQNTXLQHIBZOI-GFCCVEGCSA-N	381.425	3.113	70	50	GGIA	
COC(=O)c1sccc1Nc1c(NCc2ccc(Cl)cc2)c(=O)c1=O	218412821	AHWVXDYJVDRZSG-UHFFFAOYSA-N	376.821	3.140	70	50	GGIA	
COc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1Cc1ccccc1	161103994	AVJAADUOZOKFFQ-SFHVURJKSA-N	377.448	3.014	70	50	GGIA	
O=C(CSCc1ccccc1Cl)N[C@@H]1CCCN(c2ncccn2)C1	218384560	UKWARMAAUMTTGU-OAHLLOKOSA-N	376.913	3.148	70	50	GGIA	
CC(C)(C)c1cc(-c2nnc3sc(Cn4cnc(Cl)c4Cl)nn23)[nH]n1	218245563	JVFNFOQCNJRBKQ-UHFFFAOYSA-N	397.295	3.425	70	50	GGIA	
O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccccc2Cl)C1	217798257	COHMKRIXOONGBH-XYJFISCASA-N	389.927	3.074	70	50	GGIA	biogenic
COc1ccsc1S(=O)(=O)Nc1ccc2ccn(CCN(C)C)c2c1	159738800	ZYTGCPNPSUCQBT-UHFFFAOYSA-N	379.507	3.074	70	50	GGIA	
CCCCOc1ccc(/C=C/C(=O)N2CCC(S(=O)(=O)F)CC2)cc1OC	2325886005	GTWYQFNZNXJWEI-SOFGYWHQSA-N	399.484	3.178	70	50	GGIA	
COC(=O)[C@H](Cc1ccccc1)NC(=O)CCn1cc(C(C)=O)c2ccccc21	217725346	YHMOSOVJFMYYLE-FQEVSTJZSA-N	392.455	3.135	70	50	GGIA	biogenic
CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)C2)CC1	160617054	TZWPAABLGOTPGK-SFHVURJKSA-N	396.539	3.458	70	50	GGIA	
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1cccnc1	217833989	SRVKVKVOFPTQAG-NRFANRHFSA-N	398.422	3.225	70	50	GGIA	biogenic
COCCn1c(C)cc(C)c(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1=O	218444991	YFFLSKJHENXSON-IBGZPJMESA-N	396.491	3.115	70	50	GGIA	
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4CCC[C@@H]4[C@@H]3C2=O)c1	217472791	RXFYHRRDRDQGTJ-ANULTFPQSA-N	388.467	3.139	70	50	GGIA	
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccc(O)cc1)CC(=O)O2	217944461	PMSQULRAUXNDQN-IBGZPJMESA-N	391.423	3.252	70	50	GGIA	biogenic
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c2cccc(Cl)c2)nn1C	218162678	CXIJVWGCUVAEIY-SFHVURJKSA-N	397.862	3.255	70	50	GGIA	
CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCC1=CCCCC1	218348701	SSKXQTFYAMQIPI-UHFFFAOYSA-N	375.494	3.020	70	50	GGIA	
COC(=O)N1CC[C@@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C1	161029555	PTIRCQKBUUJWLF-CQSZACIVSA-N	398.488	3.274	70	50	GGIA	
COc1cc2c(cc1O)CCN(Cc1ccc(OS(=O)(=O)F)cc1)[C@H]2C	1875387547	MUQNTXLQHIBZOI-LBPRGKRZSA-N	381.425	3.113	70	50	GGIA	
COc1ccccc1CCN1C[C@H](C(=O)Nc2c(C)nn(C(C)C)c2C)CC1=O	218252082	PDDUGNVCQFSIFI-GOSISDBHSA-N	398.507	3.119	70	50	GGIA	
O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCN1C(=O)Cc1cccs1	161023383	SDRDGYAJUORTDJ-WMZOPIPTSA-N	390.549	3.280	70	50	GGIA	
COCCn1c([C@H](C)NC(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21	218229504	QFMJQEQYMDGGQK-AWEZNQCLSA-N	381.480	3.166	70	50	GGIA	
Cc1ccc(N(C)C(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1N(C)C	160788113	JWGRLKUKLUQHHD-CALCHBBNSA-N	382.508	3.346	70	50	GGIA	
O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CCC(S(=O)(=O)F)CC1	2325886011	JFQZAMILBDCAST-AATRIKPKSA-N	382.844	3.192	70	50	GGIA	
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1ccc(F)c(F)c1F	218435274	LDRGGASRSBJHAQ-LBPRGKRZSA-N	380.366	3.314	70	50	GGIA	
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(C(F)(F)F)cc1	218260387	VXWOVWKXFCISNV-NSHDSACASA-N	381.306	3.011	70	50	GGIA	
O=C1CC[C@@H]2CN(Cc3ccc4occc4c3)CC[C@@H]2N1CCc1cnc[nH]1	216643118	LHWJEVKYGQBARA-QUCCMNQESA-N	378.476	3.212	70	50	GGIA	
CC(C)[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)c1nc2ccccc2n1C	218565230	BPTLBKATMUUMJB-PXNSSMCTSA-N	376.460	3.261	70	50	GGIA	
COC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1cccnc1N1CCCCC1	217758312	RDUPCVKGFBIPSN-OAHLLOKOSA-N	384.432	3.201	70	50	GGIA	biogenic
Cc1nc(CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c(C)s1	160835948	SUWJPFHYZGCLTD-UHFFFAOYSA-N	383.477	3.154	70	50	GGIA	
COc1cccc2c1CCc1c(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n[nH]c1-2	217959115	RLSUBUSSJLDJHK-HNAYVOBHSA-N	394.519	3.178	70	50	GGIA	biogenic
COc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2nc3ccccc3n2C)cc1	218612658	XSYWZNAXRZAHGU-ZDUSSCGKSA-N	375.432	3.463	70	50	GGIA	
COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c(O)c2ccccc2oc1=O	217840572	YIVCBKAMGFNFIU-HNNXBMFYSA-N	384.384	3.211	70	50	GGIA	biogenic
CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2)c1	159834466	LELFFKXJIINAAN-LJQANCHMSA-N	386.517	3.053	70	50	GGIA	
COc1ccccc1-c1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)n(C)n1	217922901	OJCSZXRGAQMWEK-QFBILLFUSA-N	382.508	3.090	70	50	GGIA	biogenic
Cc1ccc(NC(=O)N2CCC[C@@H]2c2nncn2C)c(OCC(F)(F)F)c1	159890991	WFAKNRSFCVBWML-CYBMUJFWSA-N	383.374	3.434	70	50	GGIA	
Cc1[nH]nc(CCC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)c1C	218656824	DHEHTFPGVRCMFE-QRFVXNFXSA-N	378.476	3.136	70	50	GGIA	
O=C(c1ccc(Cl)cc1-n1cnnn1)N1CCC[C@H]1c1nc2ccccc2[nH]1	218505794	KHGWZXPTOPXBOC-INIZCTEOSA-N	393.838	3.169	70	50	GGIA	
COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c(O)c2ccccc2oc1=O	217810041	XGTUEKDRTNONDL-CQSZACIVSA-N	384.384	3.211	70	50	GGIA	biogenic
CN(CCCc1cc(-c2ccccc2)no1)[C@@H]1CCCN(c2cnn(C)c2)C1=O	160149586	HLFMZVPZEVJBLY-OAQYLSRUSA-N	393.491	3.135	70	50	GGIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2oc(C)nc2c1	218335541	VABUMYVRJYJSGK-MRXNPFEDSA-N	382.372	3.394	70	50	GGIA	
CCCn1ncc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)c1C	218592260	BEDJRAKLSFAHHE-QYGXFBIXSA-N	378.476	3.392	70	50	GGIA	
Cc1cccc([C@H](NC(=O)C2CCN(c3cnccn3)CC2)c2ccccn2)c1	160039912	RDRULFMEMWLBCB-QFIPXVFZSA-N	387.487	3.302	70	50	GGIA	
COc1ccc2c(c1)CCc1c(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n[nH]c1-2	218126619	UJMWPLSXRAZJAY-OXJNMPFZSA-N	394.519	3.178	70	50	GGIA	biogenic
Cc1ccc(-n2nnc(C(=O)N(C)c3ccc4c(c3)OCO4)c2C2CC2)cc1	160470404	KJCWYTPMALFRKB-UHFFFAOYSA-N	376.416	3.458	70	50	GGIA	
C[C@@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)[C@H]1CCCO1	160238292	FEILHLZCRXKFTO-IUODEOHRSA-N	393.285	3.383	70	50	GGIA	
Cc1ncsc1CCNC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1	217491755	DOGUTRKZDJHDED-UHFFFAOYSA-N	391.924	3.316	70	50	GGIA	
O=S(=O)(F)Oc1ccc(CN2CCO[C@H](c3ccc(F)cc3F)C2)cc1	1875387637	QPUXXIXCCQGCDW-KRWDZBQOSA-N	387.379	3.131	70	50	GGIA	
CC(C)(C)[Si](OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1	169807327	AOMOJFWVOHXBTN-UHFFFAOYSA-N	388.483	3.413	70	50	GGIA	in-vitro
COc1cc(OC)cc([C@H](c2sc3ncnn3c2O)N2CCCCCC2)c1	218486934	ZFQYYYQCCIZWCY-MRXNPFEDSA-N	388.493	3.479	70	50	GGIA	
COC(=O)c1sccc1Nc1c(NCc2ccccc2Cl)c(=O)c1=O	218276834	HJFRXNUBDNTMHB-UHFFFAOYSA-N	376.821	3.140	70	50	GGIA	
CC(C)c1ncc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1	218734992	MYFCCNHUWAVXLX-PKUWUEBNSA-N	376.460	3.390	70	50	GGIA	
CSc1cccc(N2C[C@@H](C(=O)Nc3cccc(-c4nc[nH]n4)c3)CC2=O)c1	218203760	QMTWJHNBDGAWHB-AWEZNQCLSA-N	393.472	3.185	70	50	GGIA	
COc1ccc([C@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C2CC(O)C2)cn1	218659274	YBAGNMFDRJNZGH-BUNACBEFSA-N	379.460	3.430	70	50	GGIA	
O=C(CC1(n2cccc2)CCCCC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217565902	KYWMELQCIMOMMM-RBUKOAKNSA-N	379.504	3.345	70	50	GGIA	
Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)[nH]n1	217803952	TWUMQFHYDVBGEA-FXAWDEMLSA-N	398.555	3.465	70	50	GGIA	biogenic
O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	217906305	ZYZUPOYQAQQFRW-TXPKVOOTSA-N	389.927	3.074	70	50	GGIA	biogenic
COCCOc1ccc(NC(=O)c2cnn(-c3cc(C)ccc3C)c2C)cn1	161408403	MAZQTAVIRBLACI-UHFFFAOYSA-N	380.448	3.470	70	50	GGIA	
COc1ccc(-c2cc(C(=O)Nc3cc(NC(C)=O)ccc3OC)n(C)n2)cc1	218414151	FPLIQOGVKZNPMT-UHFFFAOYSA-N	394.431	3.315	70	50	GGIA	
CCc1n[nH]c(-c2ccccc2NC(=O)CCCc2ccc3c(c2)CC(=O)N3)n1	161153129	WHUWGDACPFJARY-UHFFFAOYSA-N	389.459	3.490	70	50	GGIA	
Cc1cccc2nc(CNC(=O)C3(c4cccc(F)c4)CCOCC3)n(C)c12	159809596	BEQPKVAJMLJMQK-UHFFFAOYSA-N	381.451	3.385	70	50	GGIA	
O=C(NS(=O)(=O)C[C@@H]1CCCCO1)c1cc(-c2ccccn2)ccc1Cl	159518546	OLQUMZNSYBKQQN-AWEZNQCLSA-N	394.880	3.031	70	50	GGIA	
O=C(N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1)C1(c2ccccc2F)CC1	218414517	FIFOKQDHTJKELA-MYKUNDNFSA-N	381.447	3.421	70	50	GGIA	
CC[C@H](O)c1cc2n(n1)CCCN(c1cc(C)nc(-c3ccccc3O)n1)C2	218761232	MGZQPVKCWKIGIS-SFHVURJKSA-N	379.464	3.208	70	50	GGIA