smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCC3CCOCC3)[C@H]21	217817831	QMNGBCNGMSWBOK-VWLOTQADSA-N	493.560	3.142	70	50	JGIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2ccncc2)o1	217754712	BLOWVSHMDIZSBN-FQEVSTJZSA-N	459.502	3.475	70	50	JGIA	biogenic
COc1ccc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)cc1OC	217698980	GWZSXQAIXJYJQZ-DEOSSOPVSA-N	457.486	3.135	70	50	JGIA	biogenic
COc1cc([C@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc(OC)c1OC(C)=O	218074120	WSENJMDALMNOBZ-HXUWFJFHSA-N	493.512	3.489	70	50	JGIA	biogenic
COc1ccc(CN2CCN(C(=O)c3cnc4c(F)cccc4c3O)CC2)c(OC)c1OC	218225259	PRCCHFADSALTTF-UHFFFAOYSA-N	455.486	3.063	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)[C@H]21	217604051	LFIIHNGTEZAKKH-DEOSSOPVSA-N	487.468	3.186	70	50	JGIA	biogenic
COc1ccc2cc([C@@H]3CC(=O)Oc4cc(C)n(CCc5ccc(O)cc5)c(=O)c43)c(=O)n(C)c2c1	218056483	RGJYBBIMCRARPX-NRFANRHFSA-N	486.524	3.407	70	50	JGIA	biogenic
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc3c(c2)OCCCO3)cs1	218398178	GTFQZIVTHZXSMV-KRWDZBQOSA-N	478.530	3.441	70	50	JGIA	
COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217667504	CBCBALAIUPWVLM-HXUWFJFHSA-N	474.513	3.347	70	50	JGIA	biogenic
C#Cc1cc(OS(=O)(=O)F)cc(C(=O)N2CCO[C@@H](c3c(Cl)cccc3OC)C2)c1	1875388213	RDLUCWMUMYDDGN-GOSISDBHSA-N	453.875	3.137	70	50	JGIA	
COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCn1ccc3c(Cl)cccc31)C=C2	217835251	HUJUZDBFRLPUKA-UHFFFAOYSA-N	453.926	3.484	70	50	JGIA	biogenic
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2	217969613	JQKVEBILFXOUHP-FQEVSTJZSA-N	456.498	3.398	70	50	JGIA	biogenic
O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(C(F)(F)F)cccc43)[C@H]2C(=O)N1c1ccc(F)cc1	217724436	UBAKJWQJJKFCMI-QNFHRHJVSA-N	459.399	3.276	70	50	JGIA	
O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(C(F)(F)F)cccc43)[C@@H]2C(=O)N1c1ccc(F)cc1	217724347	UBAKJWQJJKFCMI-GEYWLOKFSA-N	459.399	3.276	70	50	JGIA	
COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217808017	SDXHRTVZNCKDBB-LJQANCHMSA-N	451.475	3.234	70	50	JGIA	biogenic
COc1ccc2cc([C@@H]3CC(=O)Oc4cc(C)n(CCc5ccc(O)cc5)c(=O)c43)c(=O)[nH]c2c1	218078460	HOZIPLBSAFDTHK-FQEVSTJZSA-N	472.497	3.396	70	50	JGIA	biogenic
COc1cccc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)c1OCCc1ccc2c(c1)CCO2	217974927	DDYJFKUSTPLTDR-IBGZPJMESA-N	465.502	3.226	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3cccc(O)c3)[C@@H]21	217828924	XXSDLLBBVKSVAO-HSZRJFAPSA-N	459.458	3.163	70	50	JGIA	biogenic
COC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2	217596916	GTJUSQUERLZILI-IBGZPJMESA-N	479.529	3.484	70	50	JGIA	biogenic
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCc1ccc2c(c1)OCO2	217862538	YCGBGQNKOWTUEB-DEOSSOPVSA-N	455.470	3.237	70	50	JGIA	biogenic
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc(OC)c1OC	218039202	HFSQUBMBYCFHFF-ZDUSSCGKSA-N	454.431	3.476	70	50	JGIA	biogenic
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)CC(=O)O2	217948211	FJBNXUWOJXGLAV-GOSISDBHSA-N	486.480	3.116	70	50	JGIA	biogenic
COc1ccc(CCOc2cc([C@@H](CC(N)=O)c3oc(C)cc(=O)c3O)ccc2OC)cc1	217596002	ZWUSOBUFDWYXFL-LJQANCHMSA-N	453.491	3.300	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3ccccc3)[C@@H]21	217819535	KMNIKWKTXWXULK-RUZDIDTESA-N	471.513	3.178	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N3CCc4ccccc4C3)[C@@H]21	217744979	IEMYMBOTWUPWFX-AREMUKBSSA-N	483.524	3.404	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCC(C)C)[C@@H]21	217605759	MQEKVHGITKSCMM-HSZRJFAPSA-N	451.523	3.371	70	50	JGIA	biogenic
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217683934	CXOHKQHQCIEBBW-LJQANCHMSA-N	481.501	3.243	70	50	JGIA	biogenic
COc1ccc(N2C[C@@H](C(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)CC2=O)c(OC)c1	218136537	VAMQUUOTJDCBMO-HJPURHCSSA-N	450.539	3.457	70	50	JGIA	
COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)cc1OC	217743142	WNKOYHKHIODEIV-VWLOTQADSA-N	471.513	3.178	70	50	JGIA	biogenic
COc1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@H]23)cc1	217907544	HXVHSIJGKSPOPF-XMMPIXPASA-N	473.485	3.466	70	50	JGIA	biogenic
CC(C)n1c(CCNC(=O)c2cc(Br)ccc2-n2cnnn2)nc2ccccc21	218328802	ZRIXAFQLLGINSA-UHFFFAOYSA-N	454.332	3.328	70	50	JGIA	
CCn1ccc(N(Cc2cccc(S(=O)(=O)F)c2)Cc2cccc(S(=O)(=O)F)c2)n1	1875391494	DZMVAJKRFUOJNL-UHFFFAOYSA-N	455.508	3.426	70	50	JGIA	
CCn1cc(N(Cc2cccc(S(=O)(=O)F)c2)Cc2cccc(S(=O)(=O)F)c2)cn1	1875391486	CLSDNKVKTUQPSM-UHFFFAOYSA-N	455.508	3.426	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)[C@@H]21	217604125	LFIIHNGTEZAKKH-XMMPIXPASA-N	487.468	3.186	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCC(C)C)[C@H]21	217605690	MQEKVHGITKSCMM-QHCPKHFHSA-N	451.523	3.371	70	50	JGIA	biogenic
O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCc1c[nH]cn1	217909557	LGDDFIYETKVICE-DEOSSOPVSA-N	457.534	3.444	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3ccncc3)[C@@H]21	217916057	XSGWLKZOUGZPPZ-HSZRJFAPSA-N	458.474	3.242	70	50	JGIA	biogenic
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1	217475825	YVJLMBZWDDLOBM-ANULTFPQSA-N	466.921	3.352	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCc3cccnc3)[C@H]21	217734771	PAWQJIPPIIALAJ-VWLOTQADSA-N	486.528	3.310	70	50	JGIA	biogenic
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)CC(=O)O2	217948141	FJBNXUWOJXGLAV-SFHVURJKSA-N	486.480	3.116	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1cc2ccc(OC)cc2nc1N1CCOCC1	218267456	NZSZSKZLQQACTH-KRWDZBQOSA-N	466.490	3.209	70	50	JGIA	
CSCC[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccccc2n1C	217695014	IQGLJIAYBPMZOH-DUPRYPCISA-N	461.657	3.210	70	50	JGIA	biogenic
COCCNC(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]12	217820103	KPIQQUCLTGROJZ-DEOSSOPVSA-N	481.549	3.142	70	50	JGIA	biogenic
COc1ccc2cc([C@H]3CC(=O)Oc4c(C(C)=O)c(O)c5c(C)cc(=O)oc5c43)c(=O)[nH]c2c1	217996353	PUXZIGGVCKFBNU-CQSZACIVSA-N	461.426	3.301	70	50	JGIA	biogenic
COc1cc2nc(CSCCNC(=O)c3cc4ccccc4n3C)[nH]c(=O)c2cc1OC	218237937	AJMVNARHBTWSOR-UHFFFAOYSA-N	452.536	3.095	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCC3CCOCC3)[C@@H]21	217817915	QMNGBCNGMSWBOK-RUZDIDTESA-N	493.560	3.142	70	50	JGIA	biogenic
COc1cc([C@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc2c1OCCO2	218001945	UYDLVKNWDFRJFE-LJQANCHMSA-N	463.486	3.326	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217605570	OHHOYZXYOZXFGK-IBGZPJMESA-N	453.491	3.220	70	50	JGIA	biogenic
Cc1cc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)ccc1NS(=O)(=O)C(F)(F)F	1875388346	XPXFHUWKOZDIAS-UHFFFAOYSA-N	456.395	3.102	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCC(C)C)[C@H]21	217781401	HTUVXZFKNMLVDU-QHCPKHFHSA-N	451.523	3.371	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1oc(CN2CCCCC2)cc(=O)c1O)c1coc2ccc(OC)cc2c1=O	217719412	RZLKSHIQHDTRSY-QGZVFWFLSA-N	469.490	3.141	70	50	JGIA	biogenic
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N3CCCC[C@H]3c3cccnc3)C2=O)cc1OC	218098073	SWWRFQOCXWGUSQ-SFTDATJTSA-N	480.565	3.096	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217697797	VHJRQXPBEPRHHS-IBGZPJMESA-N	483.517	3.228	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCCCC(=O)N3CCOCC3)[C@H]21	217795642	ZVURGVDUAPQXSA-VWLOTQADSA-N	493.560	3.238	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1oc(CN2CCCCC2)cc(=O)c1O	217916911	LZCBRQASNTWSMO-KRWDZBQOSA-N	461.511	3.052	70	50	JGIA	biogenic
COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4c(C(C)=O)c(O)c5c(C)cc(=O)oc5c43)cc2c1	217980776	LSEHBNRDWOXAHW-CQSZACIVSA-N	461.426	3.301	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1cc2cc(OC)ccc2nc1N1CCOCC1	218189353	OTTFZHZVLSSSEW-KRWDZBQOSA-N	466.490	3.209	70	50	JGIA	
COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(C)n(CCc5ccc(O)cc5)c(=O)c43)cc2c1	217974522	KXFCYUQDGHDVGJ-HXUWFJFHSA-N	472.497	3.396	70	50	JGIA	biogenic
CCn1c2ccccc2c2cc(/C=C/C(=O)N3C[C@H](S(=O)(=O)F)C[C@H]3C(=O)OC)ccc21	2325887657	KASMGHQQMDZKAR-PSOXFSNLSA-N	458.511	3.269	70	50	JGIA	
COC(=O)COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1OC	218006018	LVWKJAWSIYKVOA-CQSZACIVSA-N	482.441	3.011	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1ccc(OC)c(CO)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	218072806	XRSHSFDGDBDPJO-NRFANRHFSA-N	467.518	3.007	70	50	JGIA	biogenic
O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(C(F)(F)F)cccc43)[C@H]2C(=O)N1c1ccc(F)cc1	217724520	UBAKJWQJJKFCMI-FSBGXSNOSA-N	459.399	3.276	70	50	JGIA	
COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217697699	VHJRQXPBEPRHHS-LJQANCHMSA-N	483.517	3.228	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3ccco3)[C@@H]21	217882789	YUDAEBCNVVJHJX-XMMPIXPASA-N	475.501	3.161	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCC(C)C)[C@@H]21	217781492	HTUVXZFKNMLVDU-HSZRJFAPSA-N	451.523	3.371	70	50	JGIA	biogenic
COC(=O)COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1OC	218005934	LVWKJAWSIYKVOA-AWEZNQCLSA-N	482.441	3.011	70	50	JGIA	biogenic
COc1cc(OC)c([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC	217800567	GITVKERNERUSQC-CYBMUJFWSA-N	454.431	3.476	70	50	JGIA	biogenic
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc2c1OCCO2	217938278	UQZFCHAEENSVAW-ZDUSSCGKSA-N	452.415	3.230	70	50	JGIA	biogenic
COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1oc(CN2CCCCC2)cc(=O)c1O	217916992	LZCBRQASNTWSMO-QGZVFWFLSA-N	461.511	3.052	70	50	JGIA	biogenic
COc1cc(-c2noc(CCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n2)cc(OC)c1OC	217614831	QAWKWERICLDARQ-FUHWJXTLSA-N	458.559	3.076	70	50	JGIA	biogenic
COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1cc2ccc(OC)cc2nc1N1CCOCC1	218267512	NZSZSKZLQQACTH-QGZVFWFLSA-N	466.490	3.209	70	50	JGIA	
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc2c1OCCO2	217938358	UQZFCHAEENSVAW-CYBMUJFWSA-N	452.415	3.230	70	50	JGIA	biogenic
NC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)cc1	217682082	FZKWJVWFEFFKEW-XMMPIXPASA-N	454.486	3.319	70	50	JGIA	biogenic
COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	218072733	XRSHSFDGDBDPJO-OAQYLSRUSA-N	467.518	3.007	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3ccncc3)[C@H]21	217915959	XSGWLKZOUGZPPZ-QHCPKHFHSA-N	458.474	3.242	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3nc(C)cs3)[C@H]21	217622085	VXRKQFIQVDOYPZ-FQEVSTJZSA-N	464.503	3.222	70	50	JGIA	biogenic
COc1cc(OC)c([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC	217800483	GITVKERNERUSQC-ZDUSSCGKSA-N	454.431	3.476	70	50	JGIA	biogenic
COCCNC(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]12	217820024	KPIQQUCLTGROJZ-XMMPIXPASA-N	481.549	3.142	70	50	JGIA	biogenic
O=C1N[C@@H](CCC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)C(=O)Nc2ccccc21	217900803	URVRSIDFXJDIKH-IBGZPJMESA-N	481.350	3.346	70	50	JGIA	biogenic
COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2c(C(C)=O)c(O)c3c(C)cc(=O)oc3c21	217944783	ZZIHZQLUUGZWIQ-AWEZNQCLSA-N	452.415	3.002	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3nc(C)cs3)[C@@H]21	217622171	VXRKQFIQVDOYPZ-HXUWFJFHSA-N	464.503	3.222	70	50	JGIA	biogenic
COc1ccc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@H]23)cc1	217705104	CSNYAKNULSLHTD-RUZDIDTESA-N	487.512	3.144	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CN2CCCCC2)cc(=O)c1O	217770290	QJCHDDTXEPFSLD-KRWDZBQOSA-N	461.511	3.052	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3nccs3)[C@@H]21	217827481	CDSFLEWPBJKFFP-HXUWFJFHSA-N	464.503	3.304	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCCn3cccc3)[C@@H]21	218066939	OTNDFXCWELQKIF-RUZDIDTESA-N	488.544	3.217	70	50	JGIA	biogenic
COc1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@H]23)cn1	217708487	LRGHLBDHWVFZQO-XMMPIXPASA-N	488.500	3.251	70	50	JGIA	biogenic
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1	217479471	VLGJOAPBJSCFFS-ANULTFPQSA-N	452.894	3.100	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCCOC(C)C)[C@H]21	217752357	JNYZGMSOASTPNJ-DEOSSOPVSA-N	481.549	3.140	70	50	JGIA	biogenic
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c(OC)c1OC	217606558	HHRLGZCBWHPUOT-ZDUSSCGKSA-N	454.431	3.476	70	50	JGIA	biogenic
COc1cc([C@@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc(OC)c1OC(C)=O	218074041	WSENJMDALMNOBZ-FQEVSTJZSA-N	493.512	3.489	70	50	JGIA	biogenic
COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4c(C(C)=O)c(O)c5c(C)cc(=O)oc5c43)cc2c1	217980689	LSEHBNRDWOXAHW-AWEZNQCLSA-N	461.426	3.301	70	50	JGIA	biogenic
COc1ccc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@@H]23)cc1	217705199	CSNYAKNULSLHTD-VWLOTQADSA-N	487.512	3.144	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3ccccn3)[C@H]21	217903809	BYAOHPOJZIADCK-QHCPKHFHSA-N	458.474	3.242	70	50	JGIA	biogenic
O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1cccc(Br)c1	217724180	XYXLTWURYCPFPF-KCXPTXFHSA-N	470.298	3.019	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCc3ccco3)[C@H]21	217807082	WSJCYHGDVFZMGP-QHCPKHFHSA-N	461.474	3.118	70	50	JGIA	biogenic
COc1ccc(CCOc2cc([C@H](CC(N)=O)c3oc(C)cc(=O)c3O)ccc2OC)cc1	217595913	ZWUSOBUFDWYXFL-IBGZPJMESA-N	453.491	3.300	70	50	JGIA	biogenic
CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1	218323143	IBYMPLIZLKLMEP-UHFFFAOYSA-N	461.971	3.176	70	50	JGIA	
COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(C)n(CCc5ccc(O)cc5)c(=O)c43)cc2c1	217974427	KXFCYUQDGHDVGJ-FQEVSTJZSA-N	472.497	3.396	70	50	JGIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2cccnc2)o1	217895227	WRDQQWVFOGDNGW-HXUWFJFHSA-N	459.502	3.475	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1oc(CN2CCCCC2)cc(=O)c1O	217806879	LGSDSJVTGYSQSV-KRWDZBQOSA-N	461.511	3.052	70	50	JGIA	biogenic
CCn1c2ccccc2c2cc(/C=C/C(=O)N3C[C@@H](S(=O)(=O)F)C[C@@H]3C(=O)OC)ccc21	2325887656	KASMGHQQMDZKAR-LVIPFKCWSA-N	458.511	3.269	70	50	JGIA	
C#Cc1cc(CN2CCN(C(=O)c3ccc(OC)c4ccncc34)[C@@H](C)C2)cc(S(=O)(=O)F)c1	1875375547	DHABMOPFFWUWJF-KRWDZBQOSA-N	481.549	3.229	70	50	JGIA	
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc(OC)c1OC(C)=O	217949540	KTLUNNJYNVVQAJ-AWEZNQCLSA-N	482.441	3.393	70	50	JGIA	biogenic
O=C(c1cccc(Br)c1I)N1CCC(CS(=O)(=O)F)CC1	2325776888	LJBYHWWTDIVXCY-UHFFFAOYSA-N	490.132	3.205	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3nccs3)[C@H]21	217827403	CDSFLEWPBJKFFP-FQEVSTJZSA-N	464.503	3.304	70	50	JGIA	biogenic
COC(=O)COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC	218051857	RPCRSZXPYFDMRE-AWEZNQCLSA-N	482.441	3.011	70	50	JGIA	biogenic
COC(=O)COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC	218051923	RPCRSZXPYFDMRE-CQSZACIVSA-N	482.441	3.011	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccc4[nH]cnc4c3)[C@@H]21	217804244	AYVQIZMPPALJAJ-XMMPIXPASA-N	483.484	3.334	70	50	JGIA	biogenic
COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217605492	OHHOYZXYOZXFGK-LJQANCHMSA-N	453.491	3.220	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3ccco3)[C@H]21	217882723	YUDAEBCNVVJHJX-DEOSSOPVSA-N	475.501	3.161	70	50	JGIA	biogenic
COC(=O)C[C@H](c1oc(CN2CCCCC2)cc(=O)c1O)c1coc2ccc(OC)cc2c1=O	217719334	RZLKSHIQHDTRSY-KRWDZBQOSA-N	469.490	3.141	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217808107	SDXHRTVZNCKDBB-IBGZPJMESA-N	451.475	3.234	70	50	JGIA	biogenic
CCn1c2ccccc2c2cc(/C=C/C(=O)N3C[C@@H](S(=O)(=O)F)C[C@H]3C(=O)OC)ccc21	2325887654	KASMGHQQMDZKAR-ARJJZCFDSA-N	458.511	3.269	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3ccccn3)[C@@H]21	217903891	BYAOHPOJZIADCK-HSZRJFAPSA-N	458.474	3.242	70	50	JGIA	biogenic
NC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)cc1	217682152	FZKWJVWFEFFKEW-DEOSSOPVSA-N	454.486	3.319	70	50	JGIA	biogenic
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1	217830948	ROGGFBIKOJAVGO-GOTSBHOMSA-N	467.529	3.494	70	50	JGIA	biogenic
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2oc(C(F)(F)F)cc(=O)c2c1	217673667	AHJIZYGSZIUIIB-HNNXBMFYSA-N	459.380	3.281	70	50	JGIA	biogenic
COC(=O)C[C@H](c1oc(CN2CCOCC2)cc(=O)c1O)c1ccc(OC)c2ccccc12	217651274	ORBAZKWXSGPWDN-FQEVSTJZSA-N	453.491	3.034	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3ccccc3)[C@H]21	217819463	KMNIKWKTXWXULK-VWLOTQADSA-N	471.513	3.178	70	50	JGIA	biogenic
COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217646681	GVDLOKWXHNOTSF-LJQANCHMSA-N	453.491	3.220	70	50	JGIA	biogenic
O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCc1c[nH]cn1	217909488	LGDDFIYETKVICE-XMMPIXPASA-N	457.534	3.444	70	50	JGIA	biogenic
O=C1N[C@@H](CCC(=O)N2CCN(Cc3cccc4ccccc34)CC2)C(=O)Nc2ccccc21	218244452	GPOGFPSPXGMJFZ-DEOSSOPVSA-N	456.546	3.015	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCc3ccccn3)[C@@H]21	217615019	KWJDLGGKMNRLIR-RUZDIDTESA-N	486.528	3.310	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217904059	UCXSHJIYXMOJRS-FQEVSTJZSA-N	465.502	3.277	70	50	JGIA	biogenic
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCc1ccc2c(c1)OCO2	217862461	YCGBGQNKOWTUEB-XMMPIXPASA-N	455.470	3.237	70	50	JGIA	biogenic
COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1oc(CN2CCCCC2)cc(=O)c1O	217806956	LGSDSJVTGYSQSV-QGZVFWFLSA-N	461.511	3.052	70	50	JGIA	biogenic
COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)cc1OC	217743053	WNKOYHKHIODEIV-RUZDIDTESA-N	471.513	3.178	70	50	JGIA	biogenic
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2	217969694	JQKVEBILFXOUHP-HXUWFJFHSA-N	456.498	3.398	70	50	JGIA	biogenic
COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2c(C(C)=O)c(O)c3c(C)cc(=O)oc3c21	217944858	ZZIHZQLUUGZWIQ-CQSZACIVSA-N	452.415	3.002	70	50	JGIA	biogenic
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc3c(c2)OCCCO3)cs1	218265795	XBPWKDYKLWIFAI-INIZCTEOSA-N	464.503	3.051	70	50	JGIA	
COc1cccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)c1OCCc1ccc2c(c1)CCO2	217975018	DDYJFKUSTPLTDR-LJQANCHMSA-N	465.502	3.226	70	50	JGIA	biogenic
COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1cc2cc(OC)ccc2nc1N1CCOCC1	218189431	OTTFZHZVLSSSEW-QGZVFWFLSA-N	466.490	3.209	70	50	JGIA	
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC	217690763	UZNDGCVDGKCLKA-SFHVURJKSA-N	450.495	3.067	70	50	JGIA	biogenic
O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCN(c2nc(C(F)(F)F)cs2)CC1	1875388013	JUAGLVBXFCLIDD-UHFFFAOYSA-N	454.427	3.109	70	50	JGIA	
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc(OC)c1OC	218039290	HFSQUBMBYCFHFF-CYBMUJFWSA-N	454.431	3.476	70	50	JGIA	biogenic
COc1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@@H]23)cn1	217708574	LRGHLBDHWVFZQO-DEOSSOPVSA-N	488.500	3.251	70	50	JGIA	biogenic
COC(=O)CSC1=NC(C)=NC(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1	334158899	KDJQBDVIWYZQJB-UHFFFAOYSA-N	474.522	3.416	70	50	JGIA	
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c(OC)c1OC	217606632	HHRLGZCBWHPUOT-CYBMUJFWSA-N	454.431	3.476	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3cccnc3)[C@@H]21	217824788	QJJBXWDHHBAZKU-HSZRJFAPSA-N	458.474	3.242	70	50	JGIA	biogenic
COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1NC(=O)N(c3ccc(C(C)C)cc3)C1=O)CC2	218090283	OXDNDLSEKTXRTP-FQEVSTJZSA-N	451.523	3.227	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3cccnc3)[C@H]21	217824713	QJJBXWDHHBAZKU-QHCPKHFHSA-N	458.474	3.242	70	50	JGIA	biogenic
COc1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@@H]23)cc1	217907626	HXVHSIJGKSPOPF-DEOSSOPVSA-N	473.485	3.466	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217684010	CXOHKQHQCIEBBW-IBGZPJMESA-N	481.501	3.243	70	50	JGIA	biogenic
COc1ccc2cc([C@H]3CC(=O)Oc4cc(C)n(CCc5ccc(O)cc5)c(=O)c43)c(=O)n(C)c2c1	218056560	RGJYBBIMCRARPX-OAQYLSRUSA-N	486.524	3.407	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCc3ccccn3)[C@H]21	217614940	KWJDLGGKMNRLIR-VWLOTQADSA-N	486.528	3.310	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3cccc(O)c3)[C@H]21	217828854	XXSDLLBBVKSVAO-QHCPKHFHSA-N	459.458	3.163	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217667598	CBCBALAIUPWVLM-FQEVSTJZSA-N	474.513	3.347	70	50	JGIA	biogenic
COC(=O)C(C(=O)NC(=O)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	98047017	HGMLHPHNFYDVBE-UHFFFAOYSA-N	481.488	3.283	70	50	JGIA	
O=C1N[C@@H](CCC(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C(=O)Nc2ccccc21	218163990	GKJWBJCFSCZXOB-IBGZPJMESA-N	475.467	3.046	70	50	JGIA	
COc1ccc2cnn(CC(=O)N[C@@H](CC(C)C)c3nc4ccccc4n3C)c(=O)c2c1OC	218299545	GNMLQFQYBYGMPS-SFHVURJKSA-N	463.538	3.204	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCc3ccco3)[C@@H]21	217807170	WSJCYHGDVFZMGP-HSZRJFAPSA-N	461.474	3.118	70	50	JGIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2ccncc2)o1	217754615	BLOWVSHMDIZSBN-HXUWFJFHSA-N	459.502	3.475	70	50	JGIA	biogenic
[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F	100008576	QSIFGTAWLLFXPY-UHFFFAOYSA-N	457.352	3.054	70	50	JGIA	in-vitro
COC(=O)[C@H](CCSC)NC(=O)c1cnn(-c2ccc(Cl)cc2F)c1-n1cccc1	218388041	SOLURIORFSFWMD-INIZCTEOSA-N	450.923	3.480	70	50	JGIA	
COc1ccc(N2C[C@H](C(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)CC2=O)c(OC)c1	218136444	VAMQUUOTJDCBMO-MWTRTKDXSA-N	450.539	3.457	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccc4[nH]cnc4c3)[C@H]21	217804160	AYVQIZMPPALJAJ-DEOSSOPVSA-N	483.484	3.334	70	50	JGIA	biogenic
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CN2CCCCC2)cc(=O)c1O	217770208	QJCHDDTXEPFSLD-QGZVFWFLSA-N	461.511	3.052	70	50	JGIA	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	217593409	NGRANMPZMSZEDE-FQEVSTJZSA-N	497.592	3.047	70	50	JGIA	biogenic
COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@@H]4[C@@H]3C2=O)c1	217478207	ULJJPJQUJPEHNW-SEVLPDGMSA-N	454.910	3.192	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N3CCc4ccccc4C3)[C@H]21	217744890	IEMYMBOTWUPWFX-SANMLTNESA-N	483.524	3.404	70	50	JGIA	biogenic
C#Cc1cc(OS(=O)(=O)F)cc(C(=O)N2CCO[C@H](c3c(Cl)cccc3OC)C2)c1	1875388214	RDLUCWMUMYDDGN-SFHVURJKSA-N	453.875	3.137	70	50	JGIA	
COC(=O)C[C@@H](c1oc(CN2CCOCC2)cc(=O)c1O)c1ccc(OC)c2ccccc12	217651350	ORBAZKWXSGPWDN-HXUWFJFHSA-N	453.491	3.034	70	50	JGIA	biogenic
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3cccc4[nH]ccc34)C2=O)cc1OC	217678458	RROGTQGNNKQQGV-IBGZPJMESA-N	450.495	3.067	70	50	JGIA	biogenic
COc1cc([C@@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc2c1OCCO2	218001859	UYDLVKNWDFRJFE-IBGZPJMESA-N	463.486	3.326	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccc(O)cc3)[C@@H]21	217706407	MMFUCFJRLSXYQT-HSZRJFAPSA-N	459.458	3.163	70	50	JGIA	biogenic
COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217646754	GVDLOKWXHNOTSF-IBGZPJMESA-N	453.491	3.220	70	50	JGIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)c2cccnc2)o1	217895328	WRDQQWVFOGDNGW-FQEVSTJZSA-N	459.502	3.475	70	50	JGIA	biogenic
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc(OC)c1OC(C)=O	217949623	KTLUNNJYNVVQAJ-CQSZACIVSA-N	482.441	3.393	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCCOC(C)C)[C@@H]21	217752437	JNYZGMSOASTPNJ-XMMPIXPASA-N	481.549	3.140	70	50	JGIA	biogenic
COc1ccc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)cc1OC	217698902	GWZSXQAIXJYJQZ-XMMPIXPASA-N	457.486	3.135	70	50	JGIA	biogenic
COc1ccc2cc([C@@H]3CC(=O)Oc4c(C(C)=O)c(O)c5c(C)cc(=O)oc5c43)c(=O)[nH]c2c1	217996269	PUXZIGGVCKFBNU-AWEZNQCLSA-N	461.426	3.301	70	50	JGIA	biogenic
O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1cccc(Br)c1	217724088	XYXLTWURYCPFPF-SUWCGCSTSA-N	470.298	3.019	70	50	JGIA	
COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217903989	UCXSHJIYXMOJRS-HXUWFJFHSA-N	465.502	3.277	70	50	JGIA	biogenic
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1	217830850	ROGGFBIKOJAVGO-XZOQPEGZSA-N	467.529	3.494	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCCn3cccc3)[C@H]21	218066851	OTNDFXCWELQKIF-VWLOTQADSA-N	488.544	3.217	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCCCC(=O)N3CCOCC3)[C@@H]21	217795699	ZVURGVDUAPQXSA-RUZDIDTESA-N	493.560	3.238	70	50	JGIA	biogenic
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCc3cccnc3)[C@@H]21	217734857	PAWQJIPPIIALAJ-RUZDIDTESA-N	486.528	3.310	70	50	JGIA	biogenic
O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(C(F)(F)F)cccc43)[C@@H]2C(=O)N1c1ccc(F)cc1	217724280	UBAKJWQJJKFCMI-DVSDUFGPSA-N	459.399	3.276	70	50	JGIA	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccc(O)cc3)[C@H]21	217706317	MMFUCFJRLSXYQT-QHCPKHFHSA-N	459.458	3.163	70	50	JGIA	biogenic
COc1ccc2cc([C@H]3CC(=O)Oc4cc(C)n(CCc5ccc(O)cc5)c(=O)c43)c(=O)[nH]c2c1	218078534	HOZIPLBSAFDTHK-HXUWFJFHSA-N	472.497	3.396	70	50	JGIA	biogenic
CSCC[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)[C@@H]2C(=O)N(C)C(=O)[C@@H]12	217618525	WVBGGEIQWSZQEL-CDSYHYPYSA-N	469.994	3.038	70	50	JGIA	
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N3CCCC[C@H]3c3cccnc3)C2=O)cc1OC	218005561	QDRAAJOXUNJOIH-PMACEKPBSA-N	466.538	3.053	70	50	JGIA	biogenic
CC(C)CCn1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2c1=O	217953289	QEAWQIDYASLLCI-ZJOUEHCJSA-N	457.600	3.107	70	50	JGIA	biogenic
CCn1c2ccccc2c2cc(/C=C/C(=O)N3C[C@H](S(=O)(=O)F)C[C@@H]3C(=O)OC)ccc21	2325887655	KASMGHQQMDZKAR-ILTQNLKOSA-N	458.511	3.269	70	50	JGIA