smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@]12CC[C@](C(=O)O)(O1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2	14635853	VFXZFYHLJCNYMX-UXHICEINSA-N	398.323	1.778	10	1	GDCF	
C[C@@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@H](N)[C@H]1O	84634376	FGKGGXAKBOJDGK-PJPMGSJGSA-N	399.399	1.213	10	1	GDCF	
C[C@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)S(C)(=O)=O	95663575	AYSWFRSFYLMGNA-GUYCJALGSA-N	383.514	1.042	10	1	GDCF	
[N-]=[N+]=C[C@]1(CC[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587578717	XBLYRCGHGHHTPK-ODYMNIRHSA-N	383.360	1.585	10	1	GDCF	
C[C@]12Cc3cc(O)c4c(c3[C@@H]1C=C[C@H](O)[C@H]2O)C(=O)c1cccc(O)c1C4=O	2356702597	LTUULXMCGVJSAA-WPUUYOIGSA-N	378.380	1.811	10	1	GDCF	
O=C(NCCCC[C@H](CO)NC(=O)c1cccc(O)c1O)c1ccccc1O	2356824866	GZKHCSFVZUPXMA-CYBMUJFWSA-N	388.420	1.494	10	1	GDCF	
C[C@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@H](N)[C@@H]1O	84602758	FGKGGXAKBOJDGK-WCSJZASUSA-N	399.399	1.213	10	1	GDCF	
O=S(=O)(O)OC=Cc1ccc2c(c1)O[C@H]([C@H](O)c1ccc(O)c(O)c1)O2	2356499598	GXUILVXMRFBJDB-HZPDHXFCSA-N	382.346	1.719	10	1	GDCF	
C[C@@H](Nc1c2ccccc2nc2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)O	4177380	ZGGVWBGDDZLTBE-BZNIZROVSA-N	380.404	1.633	10	1	GDCF	
O=c1c(O)c(-c2ccc(O)c(OS(=O)(=O)O)c2)oc2c(O)c(O)cc(O)c12	1857641767	DGQKTGKVEVXZDQ-UHFFFAOYSA-N	398.301	1.170	10	1	GDCF	
C[C@]1(Br)C(=O)N=C(O)N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)[C@H]1N=[N+]=[N-]	27429160	IMNYUQITPPIELN-DUXGTMBRSA-N	389.170	1.319	10	1	GDCF	
COC(=O)/C(=C1\OC(=O)C(c2ccc(O)c(O)c2)=C1O)c1ccc(O)c(O)c1	14827618	ORDDQTDQYILTEP-ICFOKQHNSA-N	386.312	1.919	10	1	GDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@](=O)(O)C(F)(F)F)O2)c(=O)[nH]c1=O	40646353	JFKCXFWPZSYHHT-FXQIFTODSA-N	399.222	1.533	10	1	GDCF	
COc1ccc([C@@H](O)[C@@H]2COC(=O)[C@H]2[C@H](O)c2ccc(O)c(O)c2)cc1OC	238789256	JYTDPIBWFNHIAD-HAFFEQERSA-N	390.388	1.671	10	1	GDCF	
O=C(O)C(=Cc1ccc(O)c(O)c1)[C@@H](c1ccc(O)c(O)c1)[C@H](O)C(=O)O	2356564878	GRVCQHNOZLCUEA-CVEARBPZSA-N	376.317	1.206	10	1	GDCF	
COc1cc(OC)c2c(c1)C(=O)c1c(O)c(C(C)=O)c(C(=O)O)c(O)c1C2=O	13374715	MHDHZDIUZKOJEV-UHFFFAOYSA-N	386.312	1.791	10	1	GDCF	biogenic
Cc1ccc(C)n1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C(=O)O	219898827	IDZYOOUNBVTDKK-UHFFFAOYSA-N	384.480	1.770	10	1	GDCF	
O=C1c2ccccc2-c2nn(CCO)c3ccc(NCCN4CCNCC4)c1c23	28757852	HUPQNTMALKJLLX-UHFFFAOYSA-N	391.475	1.557	10	1	GDCF	
CC(=O)C[C@]1(O)Cc2cc3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O	2356323959	GIGPEJZJXUVRPI-SZNDQCEHSA-N	382.368	1.563	10	1	GDCF	
CC(=O)NC[C@H]1CN(c2ccc([C@H]3Cc4cc(O)c(O)cc4CN3)cc2)C(=O)O1	28568990	YJQZTPBPVICOJQ-ZWKOTPCHSA-N	397.431	1.946	10	1	GDCF	
COc1cc([C@@H]2c3cc(O)c(O)cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)cc(OC)c1O	2356413227	SMPCOLOECPREKW-RMDDBIGQSA-N	388.372	1.789	10	1	GDCF	
CC(=O)O[C@@H]1c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@H](O)[C@@H]2O[C@@]21C	14851604	SMRYWTNEKLQXTC-ZGXWSNOMSA-N	394.339	1.107	10	1	GDCF	biogenic
C[C@]1(COc2ccc(N3CCS(=O)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	34086763	VKZSAWATCYUSJG-QGZVFWFLSA-N	392.437	1.590	10	1	GDCF	
COC(=O)C1=CO[C@@H](C)[C@@H](CO)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1	142684290	CLLCNAVPQFJGSL-FPMFFAJLSA-N	380.393	1.274	10	1	GDCF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1	587746629	NAOORVYHCRMJHO-SXKNGAHQSA-N	385.237	1.810	10	1	GDCF	
CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccn3)O[C@H](CO)[C@H]1O2	95901789	PSRJUTPUZRNONK-ZLLBNUPZSA-N	397.475	1.849	10	1	GDCF	
CN(C)CCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccncc1-2	27629994	AYTGZVPUTYFBKI-UHFFFAOYSA-N	394.479	1.198	10	1	GDCF	
C=Cc1c(C)nn(CCCN2CCN(c3ccc(OC)cc3)CC2)c(=O)c1N	45286625	FVSYUIHMIWQYQA-UHFFFAOYSA-N	383.496	1.998	10	1	GDCF	
CN(C)c1ccc([C@@H]2NC(=O)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1	95580733	UHVCNQQMLSWHBV-NEPJUHHUSA-N	386.393	1.552	10	1	GDCF	
Nc1ccc(CC(=O)N(Cc2ccc(N)cc2)C[C@H]2CNCC=C(CO)C2)cc1	95920755	WRSLWDODYIRHLE-HXUWFJFHSA-N	394.519	1.951	10	1	GDCF	in-vitro
C[C@@H]1N=N[C@H](c2ccc(S(=O)(=O)N[C@H]3SC(=S)NC3=O)cc2)S1	40712320	ZXILJSFDVXHSSD-DADVEIPYSA-N	388.521	1.983	10	1	GDCF	
COC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)O[C@@H](OC(=O)C(C)(C)C)C(C)C	1772616194	AQTZZNKZKDRVIE-GXTWGEPZSA-N	385.417	1.476	10	1	GDCF	
C[C@]1(Br)C(=O)NC(=O)N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)[C@H]1N=[N+]=[N-]	254131978	IMNYUQITPPIELN-CMXUBSHPSA-N	389.170	1.114	10	1	GDCF	
O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)C(=O)[C@@H](C(=O)O)CN3C1CC1	40465102	RNFJOMKGAWRBTN-NSHDSACASA-N	393.351	1.739	10	1	GDCF	
O=C(OCCCCOC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1	196490259	XQSCVGNXGUMDJL-UHFFFAOYSA-N	394.332	1.714	10	1	GDCF	
OC[C@@H](O)CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccc(O)cc2)C1	40720104	ZBWVZIOVYQUUOR-BBRMVZONSA-N	379.840	1.800	10	1	GDCF	
CC(=O)C[C@]1(c2ccccc2O)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963211048	ADJAVQVMTZGWGL-QYWGDWMGSA-N	394.431	1.096	10	1	GDCF	
CN(C)C(=O)N(CCN1CCOCC1)Cc1cc(Br)ccc1O	40917902	QTEPURXGVHIYPP-UHFFFAOYSA-N	386.290	1.971	10	1	GDCF	
O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCN1CCCC1)c1ccccn21	473118660	KXYNKUJHCCKLFU-UHFFFAOYSA-N	388.427	1.935	10	1	GDCF	
CN1C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O	1772594215	OJSWZSFTMYFVQV-HZPDHXFCSA-N	378.359	1.695	10	1	GDCF	
Cc1nc2sc(S(N)(=O)=O)nn2c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1	72177596	UEIHXCDMRHHJHQ-FOCLMDBBSA-N	395.382	1.430	10	1	GDCF	
[N-]=[N+]=C[C@@]1(CC[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587578718	XBLYRCGHGHHTPK-VRHCTWJESA-N	383.360	1.585	10	1	GDCF	
CC=C1CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@H]2C[C@@]2(c4cc(OC)ccc4N(C)[C@H]32)[C@H]1O	2356614633	BHMFSCOVSFQYAV-JAFHZYEPSA-N	396.487	1.708	10	1	GDCF	
O=S(=O)(c1ccc(O)cc1O)N1Cc2ccc(N3CCNCC3)cc2C1	1772615609	NTMRCMKXVDLSFA-UHFFFAOYSA-N	375.450	1.212	10	1	GDCF	
[N-]=[N+]=NC[C@H]1O[C@H](n2cc(Br)c3c(Cl)ncnc32)[C@H](O)[C@@H]1O	26834295	FWELCOVBAZVDFP-FCKMSMMTSA-N	389.597	1.777	10	1	GDCF	
NC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1O	1857581305	PYWJNFUXMHHARX-ZDUSSCGKSA-N	387.436	1.461	10	1	GDCF	
CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1cc[n+]([O-])cc1C2=O	22040795	GPHHSLMDGKQIJT-UHFFFAOYSA-N	397.479	1.042	10	1	GDCF	
O=C(/C=C/c1ccc(O)c(O)c1)NCCC[C@H](NC(=O)c1ccccc1)C(=O)O	96928434	NSOKAUNKRJRCPO-SOGBHIHOSA-N	398.415	1.891	10	1	GDCF	
CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1cccnc1C2=O	40631362	FHAIVZNWLXRHTL-UHFFFAOYSA-N	381.480	1.804	10	1	GDCF	
NCCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN)ccc1C2=O	29059691	URCXCDVPOJNFRK-UHFFFAOYSA-N	380.404	1.037	10	1	GDCF	
O=C1C[C@H](Cc2cc(O)c(O)c(Br)c2Br)C(=O)N1	238782869	VZQXWODYWRODEB-YFKPBYRVSA-N	379.004	1.828	10	1	GDCF	
CC(=O)CC[C@@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O[C@H]1O	59065255	JGXCLZAVTLWCBF-GSDQLPOLSA-N	384.340	1.742	10	1	GDCF	biogenic,in-vitro
CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCCNC(C)=O	2356828026	IRNAAFLLLKKRAJ-SJORKVTESA-N	391.512	1.891	10	1	GDCF	
Cc1c(O)c(O)c(O)c2c1CO[C@@H]2[C@H]1O[C@H](O)c2c(C)c(O)c(O)c(O)c21	2356648958	VJXHTAZAWHMKML-BZSNNMDCSA-N	378.333	1.871	10	1	GDCF	
O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@H]1c1ccccc1O	73138109	FWLWSKHGXCLNJD-IBGZPJMESA-N	397.412	1.294	10	1	GDCF	
CN(C)CCCNC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O	473112286	CJRCYQRHUOROGW-UHFFFAOYSA-N	376.416	1.791	10	1	GDCF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccccc3O)[C@@H]12	95581390	CPBGWKQZYUOEFS-ZJUUUORDSA-N	375.391	1.357	10	1	GDCF	
COc1ccccc1N1C(=O)[C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	1772642052	PEYAQGQDGWLEHL-PBHICJAKSA-N	390.395	1.564	10	1	GDCF	
COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@@H]2C[C@@H](C=CC(=O)O)[C@H](CO)CN12	2356420991	UZXFJCWMJLYOCH-WXRFYESLSA-N	398.459	1.888	10	1	GDCF	
COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H](c2ccc(O)c(O)c2)[C@H]1c1ccc(O)c(O)c1	2356736726	LCTBUCCWOZNIKE-FZDBZEDMSA-N	388.372	1.968	10	1	GDCF	
O=C(C=Cc1ccc(O)c(O)c1)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O	1857571792	GDFPXEHLNIQUJJ-HNNXBMFYSA-N	384.388	1.039	10	1	GDCF	
CC1=NC(NN)=N[C@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	169723153	ANGLIRBRVUCNTD-JKSUJKDBSA-N	398.379	1.596	10	1	GDCF	
CN1C(=O)NC(=O)/C(=C\Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O	1772626024	MTXGRGNQOYIQJE-UKTHLTGXSA-N	375.340	1.466	10	1	GDCF	
O=C(N[C@@H](CO)CCCCNC(=O)c1cccc(O)c1O)c1ccccc1O	2356822206	FTCHAQDTVPWLPI-CYBMUJFWSA-N	388.420	1.494	10	1	GDCF	
CCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2[C@H]1c1ccccc1O	1772630129	GEPSQMOLZUCAAB-INIZCTEOSA-N	379.372	1.162	10	1	GDCF	
COc1cc([C@@H]2Oc3cc(/C=C\CO)cc(OC)c3O[C@H]2CO)cc(O)c1O	207205121	GJTCFMOIDDENBS-YAUKXXINSA-N	390.388	1.994	10	1	GDCF	
CNC(=O)c1cc([C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)ccc1O	26989859	MRDLOHXKKOGJSY-FQEVSTJZSA-N	385.464	1.616	10	1	GDCF	
O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN3C[C@@H]4C[C@H]3CN4)c1c2O	299821401	LTKQCTXQEHAQIM-RYUDHWBXSA-N	389.411	1.901	10	1	GDCF	
COC(=O)[C@H]1c2cc3c(c(O)c2CC[C@]1(C)O)C(=O)c1c(O)ccc(O)c1C3=O	13367659	CZTYSGYQMQRYBR-IERDGZPVSA-N	398.367	1.533	10	1	GDCF	biogenic
CCOC(=O)[C@H](N)Cc1c[nH]c2c(O)c3c(c(O)c12)C(=O)c1ccccc1C3=O	28649287	GVVCWQCGCYKVFL-GFCCVEGCSA-N	394.383	1.787	10	1	GDCF	
O=c1c(OS(=O)(=O)O)c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12	14644878	LBXUBVQDVBKYNM-UHFFFAOYSA-N	382.302	1.464	10	1	GDCF	biogenic
CC(=O)NCCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccccc1C2=O	28769813	XBRJLTJEMVKADQ-UHFFFAOYSA-N	394.475	1.984	10	1	GDCF	
CCN1CCN(C(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)CC1	1772607431	KDEIZKYPHAPPTP-UHFFFAOYSA-N	380.400	1.651	10	1	GDCF	
O=C1c2ccccc2-c2nn(CCO)c3ccc(NCCN4CCOCC4)c1c23	28757062	KNEWJRNMLQJTOD-UHFFFAOYSA-N	392.459	1.984	10	1	GDCF	
C[C@]1(Br)C(=O)N=C(O)N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)[C@H]1N=[N+]=[N-]	5823885	IMNYUQITPPIELN-NWLJNKSNSA-N	389.170	1.319	10	1	GDCF	
O=C(NCCCC[C@@H](CO)NC(=O)c1cccc(O)c1O)c1ccccc1F	2356819083	DYUSSKYFPGFOHB-ZDUSSCGKSA-N	390.411	1.928	10	1	GDCF	
C[C@@H]1COCCN1c1cc(C=[S@@](C)(N)=O)nc(-c2ccnc3[nH]ccc23)n1	169694606	CMKRTJUGBQGFEE-MUDIAHQHSA-N	386.481	1.183	10	1	GDCF	
CCO[C@@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br	27426924	PEXTUNYSUGCNRK-ZUDNVEBESA-N	392.210	1.681	10	1	GDCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CN3C(=O)c4ccccc4C3=O)O2)c(=O)[nH]c1=O	26486825	RGMKGDJNRIMSJB-MCIONIFRSA-N	396.363	1.108	10	1	GDCF	
CSCC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	13140128	IJYFMNFZBZDEML-YGTYGHESSA-N	392.477	1.623	10	1	GDCF	
O=C1NC(=S)S[C@H]1NS(=O)(=O)c1ccc(/N=N/c2ncccn2)cc1	98083121	CUZQEDFANCGLNC-IEBXDZTQSA-N	394.463	1.644	10	1	GDCF	
Nc1ccc(CCC(=O)Nc2ccc(CCC(=O)N3C[C@@H](O)[C@H](O)C3)cc2)cc1	1772625512	UJLXDAUBYCOORW-WOJBJXKFSA-N	397.475	1.337	10	1	GDCF	
Cc1cc(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)cc2c1C(=O)c1c(O)cccc1C2=O	15063190	UMOJVSPPJLAURW-WEYDICRYSA-N	384.384	1.712	10	1	GDCF	
C[C@@]12CC[C@@](C(=O)O)(O1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2	14635851	VFXZFYHLJCNYMX-VQTJNVASSA-N	398.323	1.778	10	1	GDCF	biogenic
CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1	13831451	GCIYZIRJJOUIEX-FBBHVMPDSA-N	398.332	1.837	10	1	GDCF	
CC(=O)CC[C@@H]1c2c(O)cc3c(c2O[C@H]1O)C(=O)c1c(O)cc(O)cc1C3=O	14513123	CQHLQVWKORQOPA-GSDQLPOLSA-N	384.340	1.742	10	1	GDCF	biogenic
O=C1c2cc3c(cc2-c2c1c1ccc(Cl)cc1c(=O)n2C[C@H](O)CO)OCO3	653786684	LAJPBLOIENLNAS-JTQLQIEISA-N	399.786	1.948	10	1	GDCF	
CC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O	5954937	XGUMQVUWZOLAQN-RNFJLKLCSA-N	386.356	1.190	10	1	GDCF	in-vitro
C[C@@]1(Br)C(=O)N=C(O)N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)[C@@H]1N=[N+]=[N-]	27429156	IMNYUQITPPIELN-BHBZPANOSA-N	389.170	1.319	10	1	GDCF	
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(OS(=O)(=O)O)cc(O)c12	31706609	JBZKUBCDMZUWNG-UHFFFAOYSA-N	382.302	1.464	10	1	GDCF	biogenic
CCNC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	36380542	VVSCZBRYJZBUKV-HKWRFOASSA-N	383.321	1.021	10	1	GDCF	
CC(=O)NCCc1ccc2c(c1)O[C@@H](NC(C)=O)[C@@H](c1ccc(O)c(O)c1)O2	13351373	VUANWDRZYTXGPI-WOJBJXKFSA-N	386.404	1.751	10	1	GDCF	biogenic
Cc1cc(O[C@@H]2C[C@H](O)[C@H](O)[C@H](C)O2)cc2c1C(=O)c1c(O)cccc1C2=O	13334435	UMOJVSPPJLAURW-NMHDBEBBSA-N	384.384	1.712	10	1	GDCF	biogenic
COc1cc([C@@H]2c3c(cc(OC)c(O)c3O)C[C@@H](CO)[C@H]2CO)ccc1O	2356536033	DVMSCLKIGOIJLC-AHIWAGSCSA-N	376.405	1.726	10	1	GDCF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)c(O)cc3nc2-1	6002548	NZBWDXQHPPLZOH-FQEVSTJZSA-N	380.356	1.491	10	1	GDCF	
COC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)O[C@H](OC(=O)C(C)(C)C)C(C)C	1772616195	AQTZZNKZKDRVIE-JSGCOSHPSA-N	385.417	1.476	10	1	GDCF	
C[C@@H](O)CC[C@H](CO)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	2356796704	NLKGBAPOCWPDFC-RKDXNWHRSA-N	388.372	1.521	10	1	GDCF	
CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@@H](CO)[C@@H]1O2	95901499	ISIKKEOWKJPDMG-JXYHXMIBSA-N	397.475	1.849	10	1	GDCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H](Cc1ccc(O)c(O)c1CO)C(=O)O	2356774371	WIOXNXMVIQPZIL-INIZCTEOSA-N	390.344	1.254	10	1	GDCF	
CCN1C[C@H](C(=O)O)C(=O)c2c(O)c3c(c(O)c21)C(=O)c1ccccc1C3=O	40639394	HOQNQWYRLHEQKP-JTQLQIEISA-N	381.340	1.597	10	1	GDCF	
CC(C)OC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)O[C@H](C)OC(=O)C(C)(C)C	1772638187	MFZGJESTUUDSKF-YPMHNXCESA-N	385.417	1.618	10	1	GDCF	
CC[C@@H]1C[C@@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1c(O)ccc(O)c1C3=O	14686610	KWUILDUBUNHRBD-SISNIUNSSA-N	386.356	1.781	10	1	GDCF	biogenic
CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1cc[n+](C)cc1	28102123	ZITVAWHQQIERHQ-CZIZESTLSA-N	382.534	1.891	10	1	GDCF	
[N-]=[N+]=C[C@]1(CC[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587578715	XBLYRCGHGHHTPK-HGQUKEQDSA-N	383.360	1.585	10	1	GDCF	
CC(=O)NCCc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](NC(C)=O)O2	13346514	MXCCEJSRHCXZMV-PMACEKPBSA-N	386.404	1.751	10	1	GDCF	biogenic
Cc1cc(O)c2c(c1)C(=O)c1cc(OCCN3CCOCC3)cc(O)c1C2=O	1857611214	VYKOJLYDCZSHGA-UHFFFAOYSA-N	383.400	1.893	10	1	GDCF	
O=C[n+]1cccn1-c1cc2c(cc1Cl)N[C@H](C(=O)O)n1nc(C(=O)O)cc1-2	27327869	BDOJVWYJWABRTK-AWEZNQCLSA-O	388.747	1.027	10	1	GDCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)C(F)(F)F)O2)c(=O)[nH]c1=O	29247088	JFKCXFWPZSYHHT-PRJMDXOYSA-N	399.222	1.533	10	1	GDCF	
Cc1[nH]n(CCO)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12	169324895	IJAAHDLCFGDWPY-ISLYRVAYSA-N	392.393	1.998	10	1	GDCF	
CCOC(=O)c1cc(-c2cc(C(=O)OC)c(O)c(O)c2O)c(O)c(O)c1O	15274416	UQLYMCXRTDACLV-UHFFFAOYSA-N	380.305	1.551	10	1	GDCF	biogenic
COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1OC(C)=O	1772601432	KBIDQAYBKMVTMQ-UHFFFAOYSA-N	390.300	1.922	10	1	GDCF	
COc1cc([C@@H]2c3c(cc(OC)c(O)c3O)C[C@H](CO)[C@@H]2CO)ccc1O	2356536038	DVMSCLKIGOIJLC-IGCXYCKISA-N	376.405	1.726	10	1	GDCF	
COc1cc2c3c(n(C[C@H](O)CO)c(=O)c2cc1OC)-c1ccccc1C3=O	72179449	GEOJBWKAGWKMDD-NSHDSACASA-N	381.384	1.583	10	1	GDCF	
CCO[C@@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br	38155305	PEXTUNYSUGCNRK-VSRSTSMESA-N	392.210	1.681	10	1	GDCF	
CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@H](CO)[C@@H]1O2	95901497	ISIKKEOWKJPDMG-FDGCKHTNSA-N	397.475	1.849	10	1	GDCF	
C[C@H](O)CC[C@H](CO)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	1772594197	NLKGBAPOCWPDFC-DTWKUNHWSA-N	388.372	1.521	10	1	GDCF	
CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2cnccn2)C1	4209451	WTQVRNWLNCDFKY-MJGOQNOKSA-N	397.479	1.775	10	1	GDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(CCCBr)c1=O	40662338	GVYNLPHKOWHHJO-DCAQKATOSA-N	388.222	1.062	10	1	GDCF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1	586948672	RTESALANPIGWBF-UHFFFAOYSA-N	383.407	1.554	10	1	GDCF	
COC(=O)C1C(c2ccc(O)c(O)c2)C(C(=O)OC)C1c1ccc(O)c(O)c1	13377842	DKLFNCPAHCKZMU-UHFFFAOYSA-N	388.372	1.968	10	1	GDCF	biogenic,in-vitro
[N-]=[N+]=N[C@H]1C[C@H](n2cnc3c(=O)n4cc(-c5ccccc5)[nH]c4nc32)O[C@@H]1CO	101897980	ULCSCFRSMOGYGC-IACUBPJLSA-N	392.379	1.998	10	1	GDCF	
CCCCOC(=O)[C@@H](O)Cc1cc(O)c(O)cc1C(=O)c1ccc(O)c(O)c1	2356529509	JBJCRACPVZGOEF-SFHVURJKSA-N	390.388	1.987	10	1	GDCF	
CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	73168293	DSABJBVLFNCGOZ-HKWRFOASSA-N	398.332	1.757	10	1	GDCF	
NCCCn1c2c(c3ccc(NC(=O)C(=O)O)cc3c1=O)C(=O)c1ccccc1-2	95584645	RXLIPTYWGFCFIS-UHFFFAOYSA-N	391.383	1.585	10	1	GDCF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1	587746627	NAOORVYHCRMJHO-OTDPEBBPSA-N	385.237	1.810	10	1	GDCF	
COc1ccc(N2C(=O)[C@@H]3CN(C)C4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	1772626605	KDAWBOVUSUFITH-SJORKVTESA-N	390.395	1.564	10	1	GDCF	
COc1ccc(N2C(=O)[C@H]3CN(C)C4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	1772626602	KDAWBOVUSUFITH-IRXDYDNUSA-N	390.395	1.564	10	1	GDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)C(F)F)O2)c(=O)[nH]c1=O	3842664	KVSKFTCBBSRLRX-XLPZGREQSA-N	381.232	1.236	10	1	GDCF	
CCO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br	27432265	PEXTUNYSUGCNRK-XCUBXJTOSA-N	392.210	1.681	10	1	GDCF	
COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@@H](O)CN)c3nc12	27854249	NCOZPIYSIMQETN-LBPRGKRZSA-N	376.416	1.994	10	1	GDCF	
CNS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)cc1	15924838	LOVOQJYZAQDGKY-UHFFFAOYSA-N	375.362	1.444	10	3	GDCF	
O=C(C=Cc1ccc(O)c(O)c1)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O	1857571793	GDFPXEHLNIQUJJ-OAHLLOKOSA-N	384.388	1.039	10	1	GDCF	
C[C@@H]1N=N[C@@H](c2ccc(S(=O)(=O)N[C@@H]3SC(=S)NC3=O)cc2)S1	13532978	ZXILJSFDVXHSSD-DIMCTHFVSA-N	388.521	1.983	10	1	GDCF	
O=C1c2ccccc2C(=O)c2c1c(O)c1occ(C(=O)N[C@@H]3CCNC3)c1c2O	1857762041	YXZIRWCQMPRHNI-SECBINFHSA-N	392.367	1.711	10	1	GDCF	
COc1ccccc1N1C(=O)[C@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	1772642055	PEYAQGQDGWLEHL-YOEHRIQHSA-N	390.395	1.564	10	1	GDCF	
CC(C)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)O	2356347969	UCVOTAWBWPEXMD-MRXNPFEDSA-N	399.355	1.418	10	1	GDCF	
COc1ccc([C@H](O)[C@@H]2COC(=O)[C@@H]2[C@@H](O)c2ccc(O)c(O)c2)cc1OC	2356552973	JYTDPIBWFNHIAD-JNPHEJMOSA-N	390.388	1.671	10	1	GDCF	
COc1ccc(N2CCN([C@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)cc1	199242283	HIIYOFDKMKREFJ-GOSISDBHSA-N	391.435	1.486	10	3	GDCF	
Cc1cc(=O)c2c(O)c(CN3CCCC3)c(O)c([C@H]3CCN(C)C[C@H]3O)c2o1	1772624026	MKYSGRNQQIXSQH-XJKSGUPXSA-N	388.464	1.888	10	1	GDCF	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@@H](O)[C@](C)(O)C[C@H]3O	15215809	HHLCOPJFKYGIFD-PKVDLYIDSA-N	386.356	1.103	10	1	GDCF	
CN(C)CCNc1ccc(NCCNCCO)c2c1C(=O)c1ccccc1C2=O	5545068	SQFQTHXKIXSSAK-UHFFFAOYSA-N	396.491	1.429	10	1	GDCF	
CN(C)c1ccc([C@@H]2NC(=O)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1	95580735	UHVCNQQMLSWHBV-RYUDHWBXSA-N	386.393	1.552	10	1	GDCF	
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(OC)c(O)c1	28875266	YHGVQUWHZBAOQU-LHRNQBEKSA-N	387.388	1.726	10	1	GDCF	
COc1cc(OC)c2c(c1)C(=O)c1cc(O)c([C@H](CO)CCO)c(O)c1C2=O	2356531139	QAOFEISHCMZANP-VIFPVBQESA-N	388.372	1.349	10	1	GDCF	
COc1ccc(N2CCN([C@@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)cc1	199242300	HIIYOFDKMKREFJ-SFHVURJKSA-N	391.435	1.486	10	3	GDCF	
O=C(N[C@@H](CO)CCCCNC(=O)c1cccc(O)c1O)c1ccccc1F	2356858293	SYLPCECHJCHTFJ-CYBMUJFWSA-N	390.411	1.928	10	1	GDCF	
C=C1C(=O)OC2=C1C[C@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5	169324769	QTMBORSBMGILGD-AAEGSUEWSA-N	393.439	1.933	10	1	GDCF	
CCOC(=O)[C@@H](N)Cc1c[nH]c2c(O)c3c(c(O)c12)C(=O)c1ccccc1C3=O	28649283	GVVCWQCGCYKVFL-LBPRGKRZSA-N	394.383	1.787	10	1	GDCF	
N[C@H]1CCN(Cc2c[nH]c3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)C1	149849138	RFTNPTCNPDWZHJ-NSHDSACASA-N	377.400	1.888	10	1	GDCF	
COc1ccc(N2CCN(CCn3c(=O)[nH]c4sccc4c3=O)CC2)cc1	29469265	WXTOGNWSCLQJMQ-UHFFFAOYSA-N	386.477	1.582	10	1	GDCF	
COc1cc(O)c2c(=O)c(OS(=O)(=O)O)c(-c3ccc(O)c(O)c3)oc2c1	13522000	ZSMARJBHMMLACO-UHFFFAOYSA-N	396.329	1.767	10	1	GDCF	biogenic
CCO[C@@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(O)=NC(=O)[C@@]1(C)Br	17215579	PEXTUNYSUGCNRK-UXHJSXIWSA-N	392.210	1.045	10	1	GDCF	
O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCn1ccnc1)c1ccccn21	473112649	DAJRVIANYVMFCI-UHFFFAOYSA-N	385.383	1.736	10	1	GDCF	
COc1cc(N2CCc3c(cnc4nc(N)nc(N)c34)C2)cc(OC)c1OC	29559811	VRAQRVBTBLLOGP-UHFFFAOYSA-N	382.424	1.778	10	1	GDCF	
COC(=O)[C@@H]1[C@H](C(=O)OC)[C@H](c2ccc(O)c(O)c2)[C@H]1c1ccc(O)c(O)c1	2356736727	LCTBUCCWOZNIKE-TVFCKZIOSA-N	388.372	1.968	10	1	GDCF	
CCCn1c(=O)c2[nH]c([C@@H]3CCC(=O)C3)nc2n(CCc2ccc(N)cc2)c1=O	13832609	SYUQQQFRDCSCCA-CQSZACIVSA-N	395.463	1.958	10	1	GDCF	
CN(C)CCn1nc2c3c(c(NCCN4CC4)ccc31)C(=O)c1ccncc1-2	95589655	PCYXUJWBSZXVGA-UHFFFAOYSA-N	376.464	1.932	10	1	GDCF	
CCO[C@@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br	17215574	PEXTUNYSUGCNRK-KVTNBQGISA-N	392.210	1.681	10	1	GDCF	
N[C@@H]1CCN(Cc2c[nH]c3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)C1	199804967	RFTNPTCNPDWZHJ-LLVKDONJSA-N	377.400	1.888	10	1	GDCF	
O=c1cc(-c2ccccc2)oc2cc(O)c(CN3CCN(CCO)CC3)c(O)c12	1772656155	GCGULGRTGORIAT-UHFFFAOYSA-N	396.443	1.981	10	1	GDCF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1	587746626	NAOORVYHCRMJHO-CYBUAMNDSA-N	385.237	1.810	10	1	GDCF	
CNC(=O)COc1coc(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	61714935	JHQNWNHZEHCKLF-UHFFFAOYSA-N	387.436	1.095	10	3	GDCF	
CCc1cc(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)cc2c1C(=O)c1c(O)cccc1C2=O	38967372	XAPCBICNZSELEW-OKZQZZHASA-N	398.411	1.966	10	1	GDCF	
COC(=O)c1ccc2c3c(n(C[C@H](O)CO)c(=O)c2c1)-c1ccccc1C3=O	473170794	ROJZWFABMKSDKI-LBPRGKRZSA-N	379.368	1.353	10	1	GDCF	
OCCS[C@H]1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@@H]1O	38934372	OXGDROUGXCPVBP-BBWFWOEESA-N	382.390	1.476	10	1	GDCF	
CC(=O)NCCc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](NC(C)=O)O2	13346506	MXCCEJSRHCXZMV-VQTJNVASSA-N	386.404	1.751	10	1	GDCF	biogenic
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccccc3O)[C@H]12	95581391	CPBGWKQZYUOEFS-VHSXEESVSA-N	375.391	1.357	10	1	GDCF	
Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(CN3CCN(C)CC3)c(O)c1C2=O	1857601126	ROJMCEZKCOYBMN-UHFFFAOYSA-N	382.416	1.635	10	1	GDCF	
COC(=O)CN1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S	28013586	PKXAILULYYLLEY-JYOAFUTRSA-N	382.375	1.698	10	1	GDCF	
C[C@@]12CC[C@H](O)[C@@H](O1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2	14613600	JJXUKZWOMSARJK-KAKXMVNSSA-N	384.340	1.900	10	1	GDCF	biogenic
COc1ccc([C@H](O)[C@@H]2COC(=O)[C@H]2[C@H](O)c2ccc(O)c(O)c2)cc1OC	2356552972	JYTDPIBWFNHIAD-GBRSUSRYSA-N	390.388	1.671	10	1	GDCF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1	587746628	NAOORVYHCRMJHO-PEGZWESCSA-N	385.237	1.810	10	1	GDCF	
Nc1nc(Cl)c(/N=N/c2ccccc2F)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	68198505	OZYRTHCQGFZRQA-BMYFNXERSA-N	396.810	1.781	10	1	GDCF	
CC1(C)OC(=O)[C@@]2(C=C[C@@H](O)[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)C2)O1	45357737	PENUXBPJWRTPFZ-LZBRDDGRSA-N	376.361	1.392	10	1	GDCF	
CC[C@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1c(O)ccc(O)c1C3=O	14686608	NRVVIGXQFAVEQQ-UXHICEINSA-N	386.356	1.405	10	1	GDCF	biogenic
CSCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	169295586	IJYFMNFZBZDEML-BKEDOTJMSA-N	392.477	1.623	10	1	GDCF	
CCN(CC)Cc1cc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)ccc1O	13727949	AHXRHPBYCUUMIS-UHFFFAOYSA-N	388.467	1.307	10	1	GDCF	
CSN1C(=O)[C@H]([C@@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1OC(C)=O	95594884	KGMKXXGHYDBZQQ-QODDHTMCSA-N	381.406	1.668	10	1	GDCF	
O=C(NCCCC[C@H]1CN=C(c2cccc(O)c2O)N1)c1cccc(O)c1O	1857585365	SFLDBSNOISLFEG-LBPRGKRZSA-N	385.420	1.828	10	1	GDCF	
N=C1N[C@@H]2[C@@H](/N=N/c3ccc(Br)cc3)C(=N)NN2c2[nH]nc(N)c21	169294333	XFESENCNLKPNLM-BHUCBJOZSA-N	389.221	1.463	10	1	GDCF	
CC(=O)CC[C@@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O[C@@H]1O	59065249	JGXCLZAVTLWCBF-YBYGRFCBSA-N	384.340	1.742	10	1	GDCF	biogenic,in-vitro
CCCCc1c(OC)cc(O)c2c1C(=O)c1[nH]c(C(=O)O)c(O)c(=O)c1C2=O	4772320	YGIXUDSUMVVCHC-UHFFFAOYSA-N	387.344	1.611	10	1	GDCF	biogenic
CC(C)=C(CO)C[C@@]12O[C@]1(C(=O)OCCCCO)C(=O)c1ccccc1C2=O	85592756	BORUXWZRILSBOH-SFTDATJTSA-N	388.416	1.608	10	1	GDCF	biogenic,in-vitro
C=COC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	36380531	CIPHQKIWHRZZAZ-RGEXLXHISA-N	382.289	1.572	10	1	GDCF	
Cc1cc(N2C(=O)CNC2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1	28822442	GQLRBLRVQLFCNY-UHFFFAOYSA-N	382.328	1.941	10	1	GDCF	
O=C1NC(=S)S[C@@H]1NS(=O)(=O)c1ccc(/N=N/c2ncccn2)cc1	98083120	CUZQEDFANCGLNC-SHYALIGYSA-N	394.463	1.644	10	1	GDCF	
C=C1C(=O)OC2=C1C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5	28088016	QTMBORSBMGILGD-LNKMKMDRSA-N	393.439	1.933	10	1	GDCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1CO)C(=O)O	2356774372	WIOXNXMVIQPZIL-MRXNPFEDSA-N	390.344	1.254	10	1	GDCF	
COc1ccc(N2CCN(CCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1	29479411	YNHQPJHMNKZXJS-UHFFFAOYSA-N	386.477	1.582	10	1	GDCF	
CN(C)S(=O)(=O)CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	586931854	MORRWUNQIAUERF-UHFFFAOYSA-N	383.429	1.772	10	1	GDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)C(F)F)O2)c(=O)[nH]c1=O	29250881	KVSKFTCBBSRLRX-RNJXMRFFSA-N	381.232	1.236	10	1	GDCF	
COc1cc(O)c2c(=O)c(S(=O)(=O)O)c(-c3ccc(O)c(O)c3)oc2c1	238738450	USROVEYBPNJUQK-UHFFFAOYSA-N	380.330	1.832	10	1	GDCF	
COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@@H]2C[C@H](C=CC(=O)O)[C@@H](CO)CN12	2356420988	UZXFJCWMJLYOCH-FTUNRGFVSA-N	398.459	1.888	10	1	GDCF	
Cc1cc2c(cc1O)[C@@](CNC(C)C)(c1ccc(O)c(O)c1)N[C@H](C(=O)O)C2	963492690	SSDGTZBSJBLGGG-HRAATJIYSA-N	386.448	1.952	10	1	GDCF	
C[C@@H]1COCCN1c1cc(C=[S@](C)(N)=O)nc(-c2ccnc3[nH]ccc23)n1	169694607	CMKRTJUGBQGFEE-KHXSAUHESA-N	386.481	1.183	10	1	GDCF	
C[C@@]1(Br)C(=O)N=C(O)N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)[C@@H]1N=[N+]=[N-]	17214517	IMNYUQITPPIELN-GEKCLDMMSA-N	389.170	1.319	10	1	GDCF	
COc1ccc(C[C@]2(O)[C@@H](O)[C@@H]2COC(=O)c2ccc(O)c(O)c2)cc1OC	14713472	YFTZOOKESGCQMT-YHJVDBJQSA-N	390.388	1.236	10	1	GDCF	biogenic
O=C1c2ccccc2C(=O)c2c1ccc1nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c21	587970666	MGOYUFPEBFCETN-KBPBESRZSA-N	376.324	1.837	10	1	GDCF	
NC1=N[C@@H]2[C@H](/N=N/c3ccc(Br)cc3)C(N)=NN2c2n[nH]c(N)c21	205259500	XFESENCNLKPNLM-CVTGBALYSA-N	389.221	1.044	10	1	GDCF	
O=C(/C=C/c1ccc(O)c(O)c1)NCCNC(=O)/C=C/c1ccc(O)c(O)c1	28530249	VJLSIUOXDXYWQL-FCXRPNKRSA-N	384.388	1.468	10	1	GDCF	
OC[C@H](O)CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccc(O)cc2)C1	58558784	ZBWVZIOVYQUUOR-CJNGLKHVSA-N	379.840	1.800	10	1	GDCF	
COc1cc(C[C@]2(O)C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc(O)c1O	14437813	GENGJDIMWQYHFT-ZUOKHONESA-N	388.372	1.524	10	1	GDCF	biogenic
C[C@@]12CC[C@@H](O)[C@@H](O1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2	14613599	JJXUKZWOMSARJK-NIXNKXAPSA-N	384.340	1.900	10	1	GDCF	biogenic
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(O)c(O)c2)cc1	40972474	BHTZNBYVQOYAHK-HNNXBMFYSA-N	396.465	1.041	10	1	GDCF	
O=C(O)/C(=C\c1ccc(O)c(O)c1)[C@H](c1ccc(O)c(O)c1)[C@@H](O)C(=O)O	103258690	GRVCQHNOZLCUEA-XQJAHIKKSA-N	376.317	1.206	10	1	GDCF	
CC=C1CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@@]4(C[C@@H]21)c1cc(OC)ccc1N(C)[C@H]34	2356614632	BHMFSCOVSFQYAV-GJZBBOFOSA-N	396.487	1.708	10	1	GDCF	
O=C(O)CCN1C(=O)/C(=C/c2cc3ccccc3n3nnnc23)SC1=S	653725338	CSDSAVSCIJMZCY-WQLSENKSSA-N	385.430	1.953	10	1	GDCF	
CC(C)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)O	1857637293	UCVOTAWBWPEXMD-INIZCTEOSA-N	399.355	1.418	10	1	GDCF	
O=C1C[C@@H](Cc2cc(O)c(O)c(Br)c2Br)C(=O)N1	2356600013	VZQXWODYWRODEB-RXMQYKEDSA-N	379.004	1.828	10	1	GDCF	
CCOC(=O)c1cc(O)c(O)c(O)c1-c1c(C(=O)OCC)cc(O)c(O)c1O	13733613	OMDMJSAZRLBMDB-UHFFFAOYSA-N	394.332	1.941	10	1	GDCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CN3C(=O)c4ccccc4C3=O)O2)c(=O)[nH]c1=O	26486832	RGMKGDJNRIMSJB-MGPQQGTHSA-N	396.363	1.108	10	1	GDCF	
O=C(O)[C@H]1N[C@H](c2cc(Cl)ccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	34855184	SNWVRDJKEPSFRW-JJXSEGSLSA-N	386.791	1.949	10	1	GDCF	
Nc1ncnc2c1ncn2Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	198515284	NVOKEWPMAWELFN-UHFFFAOYSA-N	387.355	1.643	10	1	GDCF	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(O)cc2O)N=C(NN)N1	49045298	OGASXTFKHUDJSL-INIZCTEOSA-N	398.379	1.382	10	1	GDCF	
CCO[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br	27432261	PEXTUNYSUGCNRK-REKNECKOSA-N	392.210	1.681	10	1	GDCF	
Cc1cc2c(c3c1CC=C([C@](O)(CO)[C@H]1CO1)O3)C(=O)c1c(O)cccc1C2=O	14442090	NPPHVVALVZAFOV-OPAMFIHVSA-N	394.379	1.417	10	1	GDCF	biogenic
O=C(O)C1=Cc2cc(O)c(O)cc2[C@@H](c2cc(C(=O)O)oc(=O)c2)[C@@H]1C(=O)O	15203053	HJNIJXZQPCEYMI-HUUCEWRRSA-N	388.284	1.064	10	1	GDCF	biogenic
O=C(N[C@H](CO)CCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1	299863199	OUQJUFKBCBSNPA-AWEZNQCLSA-N	388.420	1.494	10	1	GDCF	
O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(OS(=O)(=O)O)cc(O)c12	59762124	HGHHNWCIHWXUJC-UHFFFAOYSA-N	382.302	1.464	10	1	GDCF	biogenic
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccccc3O)[C@@H]12	95581389	CPBGWKQZYUOEFS-NXEZZACHSA-N	375.391	1.357	10	1	GDCF	
CC(C)[C@H](N)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OCc1c[nH]c2ccccc12	1772573523	RLULWTFCHVHWNU-ROUUACIJSA-N	399.451	1.329	10	1	GDCF	
COc1ccc([C@H]2Oc3cc(OC)c(O)c(O)c3C(=O)[C@H]2OC)c(O)c1O	2356329679	KBYNNCARPAANNO-QZTJIDSGSA-N	378.333	1.858	10	1	GDCF	
CCCOCCn1c(=O)c(NCCN)nc2ncc(-c3ccc(OC)nc3)cc21	45253548	SMLUKVHPXREJCN-UHFFFAOYSA-N	398.467	1.659	10	1	GDCF	
CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccn3)O[C@H](CO)[C@@H]1O2	95901786	PSRJUTPUZRNONK-FDGCKHTNSA-N	397.475	1.849	10	1	GDCF	
O=C1c2ccccc2C(=O)c2c1nc(-c1cnccn1)n2CCN1CCOCC1	1857638634	ZWIDBTNRPUBNOW-UHFFFAOYSA-N	389.415	1.448	10	1	GDCF	
COC(=O)[C@H]1[C@@H](c2ccc(O)c(O)c2)[C@H](c2ccc(O)c(O)c2)[C@H]1C(=O)OC	2356736729	LCTBUCCWOZNIKE-XLAORIBOSA-N	388.372	1.968	10	1	GDCF	
CC[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(OS(=O)(=O)O)cc(O)c1C2=O	14819804	BUJUHCLMDOGSHO-NSHDSACASA-N	394.357	1.498	10	1	GDCF	biogenic
CN(C)CCNC(=O)c1cccc2c(N)c3cc(S(C)(=O)=O)ccc3nc12	27726230	UOGMWKOXAJUOAR-UHFFFAOYSA-N	386.477	1.665	10	1	GDCF	
O=C(O)/C(=C\c1ccc(O)c(O)c1)[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C(=O)O	103258688	GRVCQHNOZLCUEA-ZFFSXUIJSA-N	376.317	1.206	10	1	GDCF	
O=S(=O)(O)OC=Cc1ccc2c(c1)O[C@@H]([C@H](O)c1ccc(O)c(O)c1)O2	2356499594	GXUILVXMRFBJDB-CVEARBPZSA-N	382.346	1.719	10	1	GDCF	
Cc1cc2c(c3c1CC=C([C@@](O)(CO)[C@H]1CO1)O3)C(=O)c1c(O)cccc1C2=O	14442088	NPPHVVALVZAFOV-ZHRRBRCNSA-N	394.379	1.417	10	1	GDCF	biogenic
COc1cc(N(C)C[C@H]2CCC3=C(C2)C(N)=N[C@H](N)N3)cc(OC)c1OC	38377675	JJWPLCQODKLEHY-JEOXALJRSA-N	375.473	1.406	10	1	GDCF	in-vivo
OC[C@@H](O)CN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccc(O)cc2)C1	27856938	ZBWVZIOVYQUUOR-XJKSGUPXSA-N	379.840	1.800	10	1	GDCF	
CN(C)c1ccc(C/N=N/CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	169702832	OMKWYPIVDAOGDB-FMQUCBEESA-N	375.454	1.991	10	1	GDCF	
CCCOCCn1c(=O)c(NCCN)nc2cnc(-c3ccc(OC)nc3)cc21	45245757	NKIWDTOTMILQGE-UHFFFAOYSA-N	398.467	1.659	10	1	GDCF	
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(Cl)c21	29403172	FCOUHLKWMOEOBE-UHFFFAOYSA-N	376.796	1.520	10	1	GDCF	
COc1ccc([C@H](O)[C@@H]2COC(=O)[C@@H]2[C@H](O)c2ccc(O)c(O)c2)cc1OC	2356552974	JYTDPIBWFNHIAD-NVAWSTJUSA-N	390.388	1.671	10	1	GDCF	
C[C@H](O)CC[C@@H](CO)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	2356796703	NLKGBAPOCWPDFC-IUCAKERBSA-N	388.372	1.521	10	1	GDCF	
CC[C@H](N)C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OCc1c[nH]c2ccccc12	1772649169	ZKMPHIGSRKCSQU-RDJZCZTQSA-N	385.424	1.083	10	1	GDCF	
CC[C@]1(O)CCc2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1c(O)ccc(O)c1C3=O	14686604	NRVVIGXQFAVEQQ-PMACEKPBSA-N	386.356	1.405	10	1	GDCF	biogenic
CC(=O)CC[C@@H](CO)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	59066151	HORUZDQRRJSTED-VIFPVBQESA-N	386.356	1.730	10	1	GDCF	biogenic,in-vitro
COC(=O)C[C@@]1(c2ccc(OC)cc2O)N[C@H](C(=O)O)Cc2cc(F)ccc21	962924567	SZLUVYMJRXVMEG-OXJNMPFZSA-N	389.379	1.946	10	1	GDCF	
COc1cc([C@@H]2Oc3cc(/C=C/CO)cc(OC)c3O[C@H]2CO)cc(O)c1O	13462096	GJTCFMOIDDENBS-PABLAQFASA-N	390.388	1.994	10	1	GDCF	
C[C@]12Cc3cc(O)c4c(c3[C@@H]1C=C[C@@H](O)[C@@H]2O)C(=O)c1cccc(O)c1C4=O	2356702599	LTUULXMCGVJSAA-YCTVJIRFSA-N	378.380	1.811	10	1	GDCF	
Nc1nc(Cl)c(/N=N/c2cccc(F)c2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	68198507	IGZYRVYGVFEMLO-BMYFNXERSA-N	396.810	1.781	10	1	GDCF	
O=C(NCCCC[C@@H](CO)NC(=O)c1cccc(O)c1O)c1ccccc1O	2356824867	GZKHCSFVZUPXMA-ZDUSSCGKSA-N	388.420	1.494	10	1	GDCF	
CC(=O)CC[C@H]1c2c(O)cc3c(c2O[C@@H]1O)C(=O)c1c(O)cc(O)cc1C3=O	5159669	CQHLQVWKORQOPA-LXGOIASLSA-N	384.340	1.742	10	1	GDCF	biogenic
NC(=O)[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1	45498612	OXFKNCMVZLAITO-HNNXBMFYSA-N	385.420	1.282	10	1	GDCF	
COc1c(O)cc2c(c1O)C(=O)[C@H](OC(C)=O)[C@@H](c1ccc(O)c(O)c1)O2	14436391	BZLUYDYXYGZUHE-AEFFLSMTSA-N	376.317	1.766	10	1	GDCF	biogenic
CCCOC(=O)N1CCN(/[N+]([O-])=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	40567075	DDMQMEHUBDWPBT-HMMYKYKNSA-N	398.332	1.839	10	1	GDCF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1	586947782	FQJSYUMUNWCELB-UHFFFAOYSA-N	381.435	1.711	10	1	GDCF	
COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@H](O)CN)c3nc12	27854256	NCOZPIYSIMQETN-GFCCVEGCSA-N	376.416	1.994	10	1	GDCF	
Cc1c(O)ccc2c1[C@](C)(c1ccc(N3CCOCC3)c(N)c1)N[C@H](C(=O)O)C2	963522578	FNDPMRZAUZOONJ-JTSKRJEESA-N	397.475	1.982	10	1	GDCF	
N=C1N[C@H]2[C@@H](/N=N/c3ccc(Br)cc3)C(=N)NN2c2[nH]nc(N)c21	95571852	XFESENCNLKPNLM-VYZYVUIRSA-N	389.221	1.463	10	1	GDCF	
COC(=O)/C(=C1/OC(=O)C(c2ccc(O)c(O)c2)=C1O)c1ccc(O)c(O)c1	85637410	ORDDQTDQYILTEP-BMRADRMJSA-N	386.312	1.919	10	1	GDCF	
CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@@H](CO)[C@H]1O2	95901498	ISIKKEOWKJPDMG-UPSSIMKTSA-N	397.475	1.849	10	1	GDCF	
O=C(CCN1CCOCC1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O	299829875	VQPITMUTJNICPT-UHFFFAOYSA-N	380.400	1.828	10	1	GDCF	
CC(C)(C)OC(=O)N1CCN(c2ccc(O[C@@H]3CCC(=O)NC3=O)cc2)CC1	1857598759	DTIVTHOMUDEPOH-MRXNPFEDSA-N	389.452	1.928	10	1	GDCF	
Cc1ccc(/C=C2\SC(=S)N(CC(=O)NN3CCN(C)CC3)C2=O)cc1	1857751733	LDXOEUDXAACPHR-PTNGSMBKSA-N	390.534	1.475	10	1	GDCF	
NS(=O)(=O)c1c[nH]c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)c1	586929660	GUEUVOGMTLBQFY-UHFFFAOYSA-N	392.396	1.981	10	1	GDCF	
C[C@H](Nc1c2ccccc2nc2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)O	4177381	ZGGVWBGDDZLTBE-MEDUHNTESA-N	380.404	1.633	10	1	GDCF	
COc1cc(C2=C(O)C(=C3C(=O)Oc4cc(O)c(O)cc43)OC2=O)ccc1O	2356702853	WLKFRVUPBAKWTG-UHFFFAOYSA-N	384.296	1.968	10	1	GDCF	
CCO[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br	38155308	PEXTUNYSUGCNRK-ZAWPXGLDSA-N	392.210	1.681	10	1	GDCF	
CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C	13831454	KPIPJHQSCPUAFZ-FBBHVMPDSA-N	398.332	1.837	10	1	GDCF	
NCCn1nc2c3c(c(NCCN4CCOCC4)ccc31)C(=O)c1ccncc1-2	27634420	NVOQVKMVKUOGPQ-UHFFFAOYSA-N	392.463	1.346	10	1	GDCF	
Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccc(S(=O)(=O)N2CCCC2)cc1	169325778	HJXHIVMJEZKFMO-ISLYRVAYSA-N	394.482	1.776	10	1	GDCF	
CN[C@@H]1C=CCOc2cc3c(c(O)c21)C(=O)c1c(cc(OC)c(O)c1CO)C3=O	85486897	PLBZUPDLWADFLF-GFCCVEGCSA-N	397.383	1.583	10	1	GDCF	biogenic,in-vitro
COc1cc(N2CCc3c4c(N)nc(N)[nH]c-4nc(=O)c3C2)cc(OC)c1OC	5853413	LWKJYSAWAFLDPH-UHFFFAOYSA-N	398.423	1.023	10	1	GDCF	
O=C(O)/C(=C\c1ccc(O)c(O)c1)[C@H](c1ccc(O)c(O)c1)[C@H](O)C(=O)O	103258685	GRVCQHNOZLCUEA-UXTFUVQESA-N	376.317	1.206	10	1	GDCF	
COC(=O)C1=CO[C@H](C)[C@H](CO)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1	2356514289	CLLCNAVPQFJGSL-BNOWGMLFSA-N	380.393	1.274	10	1	GDCF	
CN(C)c1ccc(OCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1	218908290	BHOAFOUTWVNKQO-FQEVSTJZSA-N	383.492	1.667	10	1	GDCF	
C[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@H](O)CC[C@@]21C	504791991	WELDYHIUYLPBNM-IZPFFEGKSA-N	378.421	1.719	10	1	GDCF	biogenic
CSCC[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	169295589	IJYFMNFZBZDEML-DEXNDLTESA-N	392.477	1.623	10	1	GDCF	
CN1CC[C-](/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	169691222	ASRWSKUJZIPWDR-ISLYRVAYSA-N	396.449	1.957	10	1	GDCF	
CSCC[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	103004959	IJYFMNFZBZDEML-NRTGNBEESA-N	392.477	1.623	10	1	GDCF	
CN(C)Cc1cc(C[C@@H]2CC[C@@H](O)[C@H](CNCc3ccccc3O)O2)no1	2356297996	KIKOXUCWHLCMOJ-DBVUQKKJSA-N	375.469	1.683	10	1	GDCF	
NCC[C@H]1CN([C@H]2N=C3c4c(O)cccc4C(=O)c4cccc(c43)O2)CCO1	299847281	BEEMSCFIHUUMEC-LAJNKCICSA-N	379.416	1.500	10	1	GDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)C(F)(F)F)O2)c(=O)[nH]c1=O	29247107	JFKCXFWPZSYHHT-XLPZGREQSA-N	399.222	1.533	10	1	GDCF	
CC=C1CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@@]4(C[C@@H]21)c1cc(OC)ccc1N(C)[C@@H]34	2356614634	BHMFSCOVSFQYAV-XIASIFTQSA-N	396.487	1.708	10	1	GDCF	
CN(C)CCOC(=O)c1c2c(n3cccc(F)c13)C(=O)c1ncccc1C2=O	1857631647	QEKWPWGDMFHXBF-UHFFFAOYSA-N	381.363	1.967	10	1	GDCF	
C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4cc(OC)ccc4N(C)[C@H]32)[C@@H]1O	238770188	BHMFSCOVSFQYAV-IQPRKWHBSA-N	396.487	1.708	10	1	GDCF	
CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1	13831450	GCIYZIRJJOUIEX-LJTKESRTSA-N	398.332	1.837	10	1	GDCF	
NCC[C@@H]1CN([C@@H]2N=C3c4c(O)cccc4C(=O)c4cccc(c43)O2)CCO1	96937625	BEEMSCFIHUUMEC-GTJPDFRWSA-N	379.416	1.500	10	1	GDCF	
C=C1C(=O)OC2=C1C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@@H]2O5	36216098	QTMBORSBMGILGD-UCMODRJZSA-N	393.439	1.933	10	1	GDCF	
CN(C)C(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/CCc2ccccc2)c1O	36143783	WIKGNFQSVSEYJK-IDUDEYGOSA-N	379.416	1.757	10	1	GDCF	
COc1c(OS(=O)(=O)O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34	15150545	YSJGIOJYGKGLQE-UHFFFAOYSA-N	396.285	1.092	10	1	GDCF	biogenic
CC=C1[C@H](CC(=O)OCCc2ccc(O)c(O)c2)C(C(=O)OC)=CO[C@H]1O	2356650354	BIWKXNFEOZXNLX-ORAYPTAESA-N	378.377	1.542	10	1	GDCF	
CC(=O)CC[C@H]1c2c(O)cc3c(c2O[C@H]1O)C(=O)c1c(O)cc(O)cc1C3=O	14513121	CQHLQVWKORQOPA-GWNMQOMSSA-N	384.340	1.742	10	1	GDCF	biogenic
[N-]=[N+]=NC[C@@H]1C/C(=C2\O[C@@H]3CC(=O)N3[C@H]2C(=O)OCc2ccccc2)C(=O)O1	1772622653	OQJRHYHETOWZLM-QBNCIVFESA-N	384.348	1.567	10	1	GDCF	
CCCOCCn1c(=O)c(NCCO)nc2cnc(-c3ccc(OC)nc3)cc21	45316751	CGLQBTDIDIZFEO-UHFFFAOYSA-N	399.451	1.693	10	1	GDCF	
O=c1c(O)cccc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(O)c12	3978511	SPQGLWVRJNKSPU-FOIQADDNSA-N	384.340	1.765	10	1	GDCF	biogenic,in-vitro
Cc1c(O)c(O)c(O)c2c1CO[C@@]1(OCc3c(C)c(O)c(O)c(O)c31)C2=O	2356740832	NRYXVYOFLNWMAZ-SFHVURJKSA-N	376.317	1.633	10	1	GDCF	
Nc1ccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)cc1	29041441	ODZNFTDJLNIURO-UHFFFAOYSA-N	385.449	1.866	10	1	GDCF	
CC(=O)CC[C@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O[C@H]1O	59065256	JGXCLZAVTLWCBF-GWNMQOMSSA-N	384.340	1.742	10	1	GDCF	biogenic,in-vitro
CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccncc1C2=O	5424581	YNKLWKRLBVFMIO-UHFFFAOYSA-N	381.480	1.804	10	1	GDCF	
COc1cc(N2CC[C@@H]3c4c(N)nc(N)nc4NC[C@@H]3C2)cc(OC)c1OC	34801952	DUKSWTDASFETGZ-PWSUYJOCSA-N	386.456	1.702	10	1	GDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@](=O)(O)C(F)F)O2)c(=O)[nH]c1=O	40646481	KVSKFTCBBSRLRX-FXQIFTODSA-N	381.232	1.236	10	1	GDCF	
COC(=O)[C@H]1[C@@H](c2ccc(O)c(O)c2)[C@@H](C(=O)OC)[C@H]1c1ccc(O)c(O)c1	238756203	DKLFNCPAHCKZMU-OPMHRUBESA-N	388.372	1.968	10	1	GDCF	
CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2cnccn2)C1	4209457	WTQVRNWLNCDFKY-HKUYNNGSSA-N	397.479	1.775	10	1	GDCF	
CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C	13831453	KPIPJHQSCPUAFZ-LJTKESRTSA-N	398.332	1.837	10	1	GDCF	
O=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12	102943085	DKWTYAUCZMJXTJ-UHFFFAOYSA-N	398.301	1.170	10	1	GDCF	
Oc1ccccc1CN1CCC(O)(c2csc(CN3CC[C@H](O)C3)n2)CC1	2356290530	VZOWCDICFPCQFI-INIZCTEOSA-N	389.521	1.899	10	1	GDCF	
CN1C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O	1772594213	OJSWZSFTMYFVQV-CVEARBPZSA-N	378.359	1.695	10	1	GDCF	
Cn1c2ccccc2c2ccc(C[C@H](NCP(=O)(O)O)c3nnn[nH]3)cc21	13805007	CVLPLAHWGXBTKP-AWEZNQCLSA-N	386.352	1.853	10	1	GDCF	
COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(O)c1O	6483595	LAOYXEVHXSQMQD-JECHBYEQSA-N	384.340	1.953	10	1	GDCF	
CCN1C[C@@H](C(=O)O)C(=O)c2c(O)c3c(c(O)c21)C(=O)c1ccccc1C3=O	40639396	HOQNQWYRLHEQKP-SNVBAGLBSA-N	381.340	1.597	10	1	GDCF	
C[C@H]1N=N[C@H](c2ccc(S(=O)(=O)N[C@H]3SC(=S)NC3=O)cc2)S1	40712322	ZXILJSFDVXHSSD-CYUDJLOBSA-N	388.521	1.983	10	1	GDCF	
COc1ccc(N2CCN(c3nc4ccccc4n(CC(=O)O)c3=O)CC2)cc1	169342607	OLHFLELVAAETDL-UHFFFAOYSA-N	394.431	1.816	10	1	GDCF	
Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c1CCN2c1cccnc1	118765592	BMWCRBOIKFWCIP-UHFFFAOYSA-N	390.451	1.750	10	1	GDCF	
COc1ccc([C@H](O)[C@@H]2COC(=O)[C@H]2[C@@H](O)c2ccc(O)c(O)c2)cc1OC	2356552975	JYTDPIBWFNHIAD-WSFKTYETSA-N	390.388	1.671	10	1	GDCF	
Cc1ccc(S(=O)(=O)NCC[C@@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1	27717504	SMDUUUZQDPCUOE-AUUYWEPGSA-N	394.493	1.786	10	1	GDCF	
COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCCN)cc(OC)c1C2=O	96932563	KPAUOGSCEHZRHL-UHFFFAOYSA-N	384.432	1.926	10	1	GDCF	
O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c21	587970662	MGOYUFPEBFCETN-BTTYYORXSA-N	376.324	1.837	10	1	GDCF	
C[C@@H]1N=N[C@@H](c2ccc(S(=O)(=O)N[C@H]3SC(=S)NC3=O)cc2)S1	40712325	ZXILJSFDVXHSSD-PFZYVWIYSA-N	388.521	1.983	10	1	GDCF	
CN[C@H]1C=CCOc2cc3c(c(O)c21)C(=O)c1c(cc(OC)c(O)c1CO)C3=O	2356371752	PLBZUPDLWADFLF-LBPRGKRZSA-N	397.383	1.583	10	1	GDCF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(O)c1O	29333534	UCILNJOMIKDJGF-QXNHNSEWSA-N	386.356	1.803	10	1	GDCF	
Nc1nc(Cl)c(/N=N/c2ccc(F)cc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	73157871	JVCOCCFABVNDHV-BMYFNXERSA-N	396.810	1.781	10	1	GDCF	
O=C(/C=C/c1ccc(O)c(O)c1)NCCOC(=O)/C=C/c1ccc(O)c(O)c1	1861209	PXWVIUUGOMOJMR-FCXRPNKRSA-N	385.372	1.895	10	1	GDCF	
CCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2[C@@H]1c1ccccc1O	1772630134	GEPSQMOLZUCAAB-MRXNPFEDSA-N	379.372	1.162	10	1	GDCF	
Cc1cc2c(cc1O)[C@](CNC(C)C)(c1ccc(O)c(O)c1)N[C@H](C(=O)O)C2	963492692	SSDGTZBSJBLGGG-KKSFZXQISA-N	386.448	1.952	10	1	GDCF	
CCO[C@@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br	5832354	PEXTUNYSUGCNRK-VAGROGTHSA-N	392.210	1.681	10	1	GDCF	
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OS(=O)(=O)O)c(O)c(O)c12	14644760	NXLRQSLPUJULGX-UHFFFAOYSA-N	382.302	1.464	10	1	GDCF	biogenic
CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ncsc1C2=O	1650461	JMDAJKDMUPMFLN-UHFFFAOYSA-N	387.509	1.866	10	1	GDCF	
CN1C(=O)/C(=C/Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)NC1=S	1772612104	NGKJLHSRVWGXJC-OQLLNIDSSA-N	391.408	1.631	10	1	GDCF	
COC(=O)[C@@H]1[C@@H](c2ccc(O)c(O)c2)[C@H](c2ccc(O)c(O)c2)[C@H]1C(=O)OC	238775311	LCTBUCCWOZNIKE-WNRNVDISSA-N	388.372	1.968	10	1	GDCF	
O=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1	36380545	SLBIHXLILBQHPT-XLNRJJMWSA-N	390.316	1.287	10	1	GDCF	
O=C(O)[C@H]1N[C@H](c2cc(Cl)ccc2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	4598006	SNWVRDJKEPSFRW-FPCVCCKLSA-N	386.791	1.949	10	1	GDCF	
CN(C)c1ccc(CN2CCN(c3n[nH]c(N)n3)CC2)cc1Br	27647400	SENVAEXJOFPRDG-UHFFFAOYSA-N	380.294	1.538	10	1	GDCF	
COc1cccc2c1C(=O)c1c(OC)cc(CN(CCO)CCO)cc1C2=O	29338625	SPPHVDYUQKALQY-UHFFFAOYSA-N	385.416	1.266	10	1	GDCF	
N[C@H]1CCN(C(=O)c2cc3c(O)c4c(c(O)c3o2)C(=O)c2ccccc2C4=O)C1	1857620502	GCKOLCXRQOKDBR-VIFPVBQESA-N	392.367	1.793	10	1	GDCF	
CCO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br	3807956	PEXTUNYSUGCNRK-GFIAMVSTSA-N	392.210	1.681	10	1	GDCF	
O=C(O)[C@@H]1SCCN1S(=O)(=O)c1ccc(/N=N\N2CCOCC2)cc1	169299589	LUFWANKMKMLTFJ-PVEMMZBWSA-N	386.455	1.166	10	1	GDCF	
CN(C)CCNc1nnc(NCCN(C)C)c2c1C(=O)c1ccccc1C2=O	599205	OTVNDYNVDGMDMZ-UHFFFAOYSA-N	382.468	1.199	10	1	GDCF	
CN(C)CCNc1ccc2c3c(nn2CCNCCO)-c2ccccc2C(=O)c13	28758541	UWMNSIJNSSDOCK-UHFFFAOYSA-N	393.491	1.803	10	1	GDCF	
O=S(=O)(O)OCCc1cc(O)c(O)c(Br)c1Br	13450174	IVDRMONUQOVGSF-UHFFFAOYSA-N	392.021	1.985	10	1	GDCF	biogenic
CN(C)CCNC(=O)c1cccc2c(N)c3cccc(S(C)(=O)=O)c3nc12	5957849	BRQSDCPNGXAKNF-UHFFFAOYSA-N	386.477	1.665	10	1	GDCF	
O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN3CCNCC3)c1c2O	148259560	DRIASCFKRDZKIX-UHFFFAOYSA-N	377.400	1.760	10	1	GDCF	
CC[C@@H]1C[C@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1c(O)ccc(O)c1C3=O	14686614	KWUILDUBUNHRBD-FSVYGMKVSA-N	386.356	1.781	10	1	GDCF	biogenic
C[C@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)S(C)(=O)=O	95662600	AYSWFRSFYLMGNA-SUMWQHHRSA-N	383.514	1.042	10	1	GDCF	
O=C(NCCCC[C@H](CO)NC(=O)c1cccc(O)c1O)c1ccccc1F	2356819082	DYUSSKYFPGFOHB-CYBMUJFWSA-N	390.411	1.928	10	1	GDCF	
Cc1ccc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c3nnnn3c2c1	653917176	JNEBPZQTLJODNR-SDQBBNPISA-N	385.430	1.872	10	1	GDCF	
CC(=O)C[C@@]1(c2ccccc2O)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963211047	ADJAVQVMTZGWGL-CKJXQJPGSA-N	394.431	1.096	10	1	GDCF	
COC(=O)[C@H](O)Cc1ccc2c(c1)O[C@H]([C@H](OC)c1ccc(O)c(O)c1)O2	1857649236	QETDTRMGCZXXOA-LSBZLQRGSA-N	376.361	1.659	10	1	GDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)OCCCCCO)O2)c(=O)[nH]c1=O	38145236	YXHFTLLFGHXAQZ-AVGNSLFASA-N	397.388	1.127	10	1	GDCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)C(F)(F)F)O2)c(=O)[nH]c1=O	29247093	JFKCXFWPZSYHHT-BWZBUEFSSA-N	399.222	1.533	10	1	GDCF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1	587747292	PLFANEWMJIFKKY-ZBVHDKTDSA-N	385.237	1.810	10	1	GDCF	
Cc1ccc(S(=O)(=O)NCC(=O)Nc2nc3cc(O)c(O)cc3s2)cc1	1857556902	SGUZQPCWMPFLFO-UHFFFAOYSA-N	393.446	1.933	10	1	GDCF	
Cc1ccc(S(=O)(=O)NCC[C@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1	27717511	SMDUUUZQDPCUOE-LIRRHRJNSA-N	394.493	1.786	10	1	GDCF	
CCO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br	38155306	PEXTUNYSUGCNRK-NHOHUNLWSA-N	392.210	1.681	10	1	GDCF	
COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4[nH]c(=O)oc4c3)CC2)cc1	201153044	WXSVTYJVIMSXCL-UHFFFAOYSA-N	396.403	1.417	10	1	GDCF	
CC(C)CN1C(=O)C(C(=O)c2ccc(O)c(O)c2)C(=O)N(CC(C)C)C1=O	299859468	HYTPNWNJANJLIL-UHFFFAOYSA-N	376.409	2.000	10	1	GDCF	
CC=C1[C@@H](O)OC=C(C(=O)OC)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1	2356650353	BIWKXNFEOZXNLX-DJJJIMSYSA-N	378.377	1.542	10	1	GDCF	
Cc1cc(=O)oc2cc3occ(/C=C4/C(=O)NC(=S)N=C4O)c(=O)c3cc12	73140497	XFLSPZWMGBJYNY-UHFFFAOYSA-N	382.353	1.962	10	1	GDCF	
Cc1cccc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c3nnnn3c12	653917162	FHGHIYXUWYKDMD-WDZFZDKYSA-N	385.430	1.872	10	1	GDCF	
COC(=O)C(=C1OC(=O)C(c2ccc(O)c(O)c2)=C1O)c1ccc(O)c(O)c1	2356585396	ORDDQTDQYILTEP-UHFFFAOYSA-N	386.312	1.919	10	1	GDCF	
N[C@H]1CCN(C(=O)c2coc3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)C1	1857645495	HECFNGGMVTZBKE-VIFPVBQESA-N	392.367	1.793	10	1	GDCF	
CC1(C)OC(=O)[C@@]2(C=C[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](O)C2)O1	45357740	PJKJECMFGNRJDF-XKRHLUPQSA-N	376.361	1.392	10	1	GDCF	
CCCOCCn1c(=O)c(NCCO)nc2ncc(-c3ccc(OC)nc3)cc21	45246006	MKUXZEJAFDMNDG-UHFFFAOYSA-N	399.451	1.693	10	1	GDCF	
COc1cc(N2CC[C@@H]3c4c(N)nc(N)nc4NC[C@H]3C2)cc(OC)c1OC	13762713	DUKSWTDASFETGZ-JQWIXIFHSA-N	386.456	1.702	10	1	GDCF	
COc1cc(CNC(=O)c2ccc3ccc(C(=O)O)c(O)c3n2)cc(O)c1O	26497841	BAPWUHDXKLLFSQ-UHFFFAOYSA-N	384.344	1.988	10	1	GDCF	
O=C(O)C(=Cc1ccc(O)c(O)c1)[C@H](c1ccc(O)c(O)c1)[C@H](O)C(=O)O	2356564879	GRVCQHNOZLCUEA-HOTGVXAUSA-N	376.317	1.206	10	1	GDCF	
O=C(CSc1nccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12	29568984	MECWHJJHXOMQFI-GMSGAONNSA-N	391.883	1.170	10	1	GDCF	
C[C@]12Cc3cc(O)c4c(c3[C@@H]1C=C[C@H](O)[C@H]2O)C(=O)c1c(O)ccc(O)c1C4=O	2356695020	QDRZJOVCBOSRTN-GEQCFXMTSA-N	394.379	1.516	10	1	GDCF	
CCCCOC(=O)[C@H](O)Cc1cc(O)c(O)cc1C(=O)c1ccc(O)c(O)c1	238787330	JBJCRACPVZGOEF-GOSISDBHSA-N	390.388	1.987	10	1	GDCF	
COc1cc([C@@H]2c3c(cc(OC)c(O)c3O)C[C@@H](CO)[C@@H]2CO)ccc1O	2356536035	DVMSCLKIGOIJLC-DCGLDWPTSA-N	376.405	1.726	10	1	GDCF	
CC(=O)NCCc1ccc2c(c1)O[C@H](NC(C)=O)[C@@H](c1ccc(O)c(O)c1)O2	13351368	VUANWDRZYTXGPI-UXHICEINSA-N	386.404	1.751	10	1	GDCF	biogenic
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)C(F)F)O2)c(=O)[nH]c1=O	29250874	KVSKFTCBBSRLRX-BWZBUEFSSA-N	381.232	1.236	10	1	GDCF	
N[C@@H]1CCN(C(=O)c2coc3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)C1	1857766872	HECFNGGMVTZBKE-SECBINFHSA-N	392.367	1.793	10	1	GDCF	
O=c1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OS(=O)(=O)O)c(O)c1-2	169721834	YILPUQGTNJTTPE-UHFFFAOYSA-N	382.302	1.416	10	1	GDCF	
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)cn1	95594488	PBSUJLIVRNZIEB-UHFFFAOYSA-N	376.424	1.442	10	1	GDCF	
COC(=O)Cn1c(O)c(N=NC(=O)CNC(=O)c2ccncc2)c2ccccc21	253977895	UHWXWHBKPKDQCQ-UHFFFAOYSA-N	395.375	1.955	10	1	GDCF	
COc1cc(N2CC[C@H]3c4c(N)nc(N)nc4NC[C@@H]3C2)cc(OC)c1OC	34801953	DUKSWTDASFETGZ-ZYHUDNBSSA-N	386.456	1.702	10	1	GDCF	
CN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@H](CNCc3ccccc3O)O2)no1	2356297998	KIKOXUCWHLCMOJ-VDGAXYAQSA-N	375.469	1.683	10	1	GDCF	
C=COC(=O)N1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	43066756	HBRFAHFFALBPBY-HKWRFOASSA-N	396.316	1.962	10	1	GDCF	
OC[C@H](O)CN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccc(O)cc2)C1	27856946	ZBWVZIOVYQUUOR-CZUORRHYSA-N	379.840	1.800	10	1	GDCF	
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccc(O)c(O)c1	28875187	PKRPUEQFLSZENZ-CYBMUJFWSA-N	375.377	1.342	10	1	GDCF	
O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@@H]1c1ccccc1O	73138104	FWLWSKHGXCLNJD-LJQANCHMSA-N	397.412	1.294	10	1	GDCF	
C[C@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@@H](N)[C@@H]1O	84634377	FGKGGXAKBOJDGK-JXUZQZQASA-N	399.399	1.213	10	1	GDCF	
CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2cnccn2)C1	4209444	WTQVRNWLNCDFKY-IEBWSBKVSA-N	397.479	1.775	10	1	GDCF	
O=C(O)/C(=C/c1ccc(O)c(O)c1)[C@H](c1ccc(O)c(O)c1)[C@H](O)C(=O)O	213249601	GRVCQHNOZLCUEA-KVQZDWTESA-N	376.317	1.206	10	1	GDCF	
O=C(O)CNCCNCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	587229585	ZFWBEBLZOQFMCY-UHFFFAOYSA-N	378.388	1.102	10	1	GDCF	
CC(=O)NCCc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](NC(C)=O)O2	13346510	MXCCEJSRHCXZMV-UXHICEINSA-N	386.404	1.751	10	1	GDCF	biogenic,in-vitro
C[C@@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)S(C)(=O)=O	95664028	AYSWFRSFYLMGNA-DYVFJYSZSA-N	383.514	1.042	10	1	GDCF	
CC(=O)Cc1cc2c(c(O)c1O)O[C@@]1(C)Cc3ccc(O)c(O)c(=O)c3[C@H]2O1	2356450865	LKOKSEHVKQBTGK-ICSRJNTNSA-N	386.356	1.771	10	1	GDCF	
O=C(N[C@H](CO)CCCCNC(=O)c1cccc(O)c1O)c1ccccc1F	2356858294	SYLPCECHJCHTFJ-ZDUSSCGKSA-N	390.411	1.928	10	1	GDCF	
COC(=O)[C@@H](NCCN[C@H](C(=O)OC)c1ccccc1O)c1ccccc1O	19368708	USRBZNLQBVIVDK-ROUUACIJSA-N	388.420	1.405	10	1	GDCF	
O=C(O)C(=Cc1ccc(O)c(O)c1)[C@H](c1ccc(O)c(O)c1)[C@@H](O)C(=O)O	2356564881	GRVCQHNOZLCUEA-JKSUJKDBSA-N	376.317	1.206	10	1	GDCF	
Cc1cc2c(c3c1CC=C([C@@](O)(CO)[C@@H]1CO1)O3)C(=O)c1c(O)cccc1C2=O	14442084	NPPHVVALVZAFOV-AOMKIAJQSA-N	394.379	1.417	10	1	GDCF	biogenic
COc1cc(O)c2c(c1)C(=O)c1cc(C)c(OS(=O)(=O)O)c(O)c1C2=O	148005434	FMLGIVPYYOHBBX-UHFFFAOYSA-N	380.330	1.372	10	1	GDCF	
CN(C)c1ccc([C@H]2NC(=O)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1	95580732	UHVCNQQMLSWHBV-VXGBXAGGSA-N	386.393	1.552	10	1	GDCF	
COC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)c2ccncc2)c2ccccc21	95545671	UHWXWHBKPKDQCQ-GHVJWSGMSA-N	395.375	1.955	10	1	GDCF	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(O)c(OC)c1	98085752	AJXBUJJCNMFVCM-GPAKFWEMSA-N	387.388	1.726	10	1	GDCF	
O=C[n+]1cccn1-c1cc2c(cc1Cl)N[C@@H](C(=O)O)n1nc(C(=O)O)cc1-2	27327864	BDOJVWYJWABRTK-CQSZACIVSA-O	388.747	1.027	10	1	GDCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](COC(=O)OCCCCCO)O2)c(=O)[nH]c1=O	38145238	YXHFTLLFGHXAQZ-AGIUHOORSA-N	397.388	1.127	10	1	GDCF	
C[C@]12Cc3cc(O)c4c(c3[C@@H]1C=C[C@H](O)[C@@H]2O)C(=O)c1c(O)ccc(O)c1C4=O	2356695021	QDRZJOVCBOSRTN-LISBEBKWSA-N	394.379	1.516	10	1	GDCF	
O=C(O)CC[C@@H](NC(=O)c1cccc(/C=C2\SC(=S)NC2=O)c1)C(=O)O	72181415	SCUUCAIGDKOBHG-PAKSIRSJSA-N	394.430	1.223	10	1	GDCF	
C[C@]12Cc3cc(O)c4c(c3[C@@H]1C=C[C@@H](O)[C@H]2O)C(=O)c1c(O)ccc(O)c1C4=O	2356695023	QDRZJOVCBOSRTN-QBZPEGDWSA-N	394.379	1.516	10	1	GDCF	
Cc1nnc(S(=O)(=O)c2ccc(N=Nc3c(N)nc(N)nc3N)cc2)s1	263609199	UUGWDUKHKVTUGI-UHFFFAOYSA-N	391.442	1.631	10	1	GDCF	
CC(=O)C[C@]1(O)Cc2cc3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O	2356323957	GIGPEJZJXUVRPI-QKKBWIMNSA-N	382.368	1.563	10	1	GDCF	
O=C1c2ccncc2C(=O)c2c(NCCN3CC3)ccc(NCCN3CC3)c21	27901495	MGQDLCNNHQRZBE-UHFFFAOYSA-N	377.448	1.312	10	1	GDCF	
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(OS(=O)(=O)O)c(O)c12	14644758	DIPGBWHTGQREOJ-UHFFFAOYSA-N	382.302	1.464	10	1	GDCF	biogenic
COc1ccc(/N=N/c2c(C)nc3sc(S(N)(=O)=O)nn3c2=O)cc1	72180574	YNQJYBREEBPFNQ-WUKNDPDISA-N	380.411	1.531	10	1	GDCF	
CN1C[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O	1772588556	CXUDKZUEAYAFSI-HZPDHXFCSA-N	378.359	1.695	10	1	GDCF	
Cc1c(O)c(O)c(O)c2c1CO[C@H]2[C@H]1O[C@H](O)c2c(C)c(O)c(O)c(O)c21	84635047	VJXHTAZAWHMKML-SQNIBIBYSA-N	378.333	1.871	10	1	GDCF	
O=C(O)[C@H]1N[C@@H](c2cc(Cl)ccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	34855183	SNWVRDJKEPSFRW-FZKCQIBNSA-N	386.791	1.949	10	1	GDCF	
CCO[C@@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br	38155303	PEXTUNYSUGCNRK-COGRHJPHSA-N	392.210	1.681	10	1	GDCF	
O=C(c1ccccc1)N1C[C@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1	2356289413	VJLFBTXWOTWXCS-FQEVSTJZSA-N	393.487	1.803	10	1	GDCF	
COc1cc([C@H]2Oc3cc(C=CCO)cc(OC)c3O[C@H]2CO)cc(O)c1O	2356472715	GJTCFMOIDDENBS-PKOBYXMFSA-N	390.388	1.994	10	1	GDCF	
COC(=O)[C@@H]1c2cc3c(c(O)c2CC[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O	13374316	JYCCDRRKNCZUQA-HRAATJIYSA-N	382.368	1.827	10	1	GDCF	biogenic
CN(C)CCNC(=O)c1c2c(n3ccccc13)C(=O)c1cccc(O)c1C2=O	1857769187	RHHYXVQYKVQSKB-UHFFFAOYSA-N	377.400	1.712	10	1	GDCF	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1CO)C(=O)O	85510844	WIOXNXMVIQPZIL-BAXHPOPBSA-N	390.344	1.254	10	1	GDCF	biogenic,in-vitro
COC(=O)C[C@]1(c2ccc(OC)cc2O)N[C@H](C(=O)O)Cc2cc(F)ccc21	962924559	SZLUVYMJRXVMEG-JXFKEZNVSA-N	389.379	1.946	10	1	GDCF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3cc(O)c(O)c(Cl)c3)N2C(=O)[C@@H]2CCCN12	963209785	XORFDWPIGYNVID-SLEUVZQESA-N	388.811	1.322	10	1	GDCF	
COc1ccc(CN2CN(CC(=O)O)c3ccc(OC)cc3S2(=O)=O)cc1	653851660	SVQGZOWKGKASQE-UHFFFAOYSA-N	392.433	1.757	10	1	GDCF	
CCN(CC)CC(=O)Nc1ccc(O)c2c1C(=O)c1c(O)ccc(O)c1C2=O	27743799	ZPRHIMLNBJRZGV-UHFFFAOYSA-N	384.388	1.859	10	1	GDCF	
N[C@@H](CCC(=O)O)C(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O	28712742	MILBQAWLQHNNQL-NSHDSACASA-N	399.355	1.969	10	1	GDCF	
Oc1ccc(CN2CC3(CN(Cc4ccccc4)C[C@H]4COCCN43)C2)cc1O	2356289796	ZRTMYJQXCLLCAL-FQEVSTJZSA-N	395.503	1.869	10	1	GDCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)C3=CN(C)C=CC3)O2)c(=O)[nH]c1=O	105473540	XUUPZVLCORYPPM-MGPQQGTHSA-N	388.384	1.088	10	1	GDCF	
COc1ccc(N2CCN(c3nc(-c4ccncn4)cc(=O)n3C)[C@H](C)C2)cc1	114416626	QCXVUWZBKUVOCY-OAHLLOKOSA-N	392.463	1.961	10	1	GDCF	
CN1C[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O	1772588557	CXUDKZUEAYAFSI-JKSUJKDBSA-N	378.359	1.695	10	1	GDCF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1	587747289	PLFANEWMJIFKKY-AFEMSUNCSA-N	385.237	1.810	10	1	GDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)C3=CN(C)C=CC3)O2)c(=O)[nH]c1=O	5809575	XUUPZVLCORYPPM-MELADBBJSA-N	388.384	1.088	10	1	GDCF	
CC1=NC(NN)=N[C@@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	169723152	ANGLIRBRVUCNTD-HOTGVXAUSA-N	398.379	1.596	10	1	GDCF	
O=c1cc(-c2ccc(O)c(O)c2)oc2c(OS(=O)(=O)O)c(O)cc(O)c12	14645232	SYGUZSOHOKBHEG-UHFFFAOYSA-N	382.302	1.464	10	1	GDCF	endogenous,in-man
CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1c(O)ccc(O)c1C3=O	14686606	NRVVIGXQFAVEQQ-WOJBJXKFSA-N	386.356	1.405	10	1	GDCF	biogenic
O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c21	587970667	MGOYUFPEBFCETN-ZSOGYDGISA-N	376.324	1.837	10	1	GDCF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(O)c1O	6483598	UCILNJOMIKDJGF-HQKIHSOMSA-N	386.356	1.803	10	1	GDCF	
CN(C)c1ccc([C@H]2NC(=O)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1	95580734	UHVCNQQMLSWHBV-NWDGAFQWSA-N	386.393	1.552	10	1	GDCF	
C[C@@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)S(C)(=O)=O	95660922	AYSWFRSFYLMGNA-CXAGYDPISA-N	383.514	1.042	10	1	GDCF	
C[C@]1(Br)C(=O)N=C(O)N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)[C@@H]1N=[N+]=[N-]	5823887	IMNYUQITPPIELN-RMUKFBLJSA-N	389.170	1.319	10	1	GDCF	
O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)C(=O)[C@H](C(=O)O)CN3C1CC1	40465101	RNFJOMKGAWRBTN-LLVKDONJSA-N	393.351	1.739	10	1	GDCF	
O=S(=O)(O)O/C=C/c1ccc2c(c1)O[C@@H]([C@H](O)c1ccc(O)c(O)c1)O2	40395119	GXUILVXMRFBJDB-QDNWOOLPSA-N	382.346	1.719	10	1	GDCF	
Cc1nnc(SCc2cc(=O)c(O)co2)n1NCc1ccc(O)cc1O	1772612768	AKSBXYZQUXYZBG-UHFFFAOYSA-N	376.394	1.693	10	1	GDCF	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H](O)[C@@](C)(O)C[C@H]3O	15215807	HHLCOPJFKYGIFD-BMFKHSARSA-N	386.356	1.103	10	1	GDCF	biogenic
C[C@H]1N=N[C@@H](c2ccc(S(=O)(=O)N[C@@H]3SC(=S)NC3=O)cc2)S1	13532973	ZXILJSFDVXHSSD-MQOMDTIOSA-N	388.521	1.983	10	1	GDCF	
COc1ccc(N2CCN(CCNC(=O)c3c(C)cc(=O)oc3C)CC2)cc1	59854116	ZYBMXPMMYFDVKJ-UHFFFAOYSA-N	385.464	1.817	10	3	GDCF	
NCCCNc1ccc(NCCCN)c2c1C(=O)c1c(O)ccc(O)c1C2=O	5117114	BDYRCLTVDLUGLN-UHFFFAOYSA-N	384.436	1.395	10	1	GDCF	
CC(=O)NCCc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](NC(C)=O)O2	13346502	MXCCEJSRHCXZMV-WOJBJXKFSA-N	386.404	1.751	10	1	GDCF	biogenic
C[C@]1(Br)C(=O)N=C(O)N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)[C@@H]1N=[N+]=[N-]	17214515	IMNYUQITPPIELN-VVZZIWFOSA-N	389.170	1.319	10	1	GDCF	
CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCO)CCO)c1	18083292	KAJGUEOBWUQLJS-GHVJWSGMSA-N	379.852	1.809	10	1	GDCF	
O=C(NCCN1CCCC1)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O	65239755	HJKIYPSIVJCCOB-UHFFFAOYSA-N	379.457	1.637	10	1	GDCF	
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	13553525	GRDFSPRGOGMOMP-LHRNQBEKSA-N	387.388	1.765	10	1	GDCF	
COc1ccc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)cc1	28889015	KFYJNEZPHUKBFQ-WMZOPIPTSA-N	376.526	1.081	10	1	GDCF	
CC(=O)C[C@@]1(O)Cc2cc3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O	2356323958	GIGPEJZJXUVRPI-SPLOXXLWSA-N	382.368	1.563	10	1	GDCF	
Nc1nc(N)c2nc(-c3ccc(O)c(O)c3)c(-c3ccc(O)c(O)c3)nc2n1	28711041	UALXDORCKXAHJH-UHFFFAOYSA-N	378.348	1.741	10	1	GDCF	
CCNCCNc1ccc(NCCNCC)c2c1C(=O)c1ccncc1C2=O	27899669	GYQFHRNFFMPTTE-UHFFFAOYSA-N	381.480	1.900	10	1	GDCF	
CC[C@]1(O)C[C@H](O)c2cc3c(c(O)c2[C@H]1O)C(=O)c1c(O)ccc(O)c1C3=O	2356544542	TWFQRMYYLLRFKE-LDZBWSAGSA-N	386.356	1.190	10	1	GDCF	
CSCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	103004961	IJYFMNFZBZDEML-QCUYGVNKSA-N	392.477	1.623	10	1	GDCF	
O=C1c2cc3c(cc2-c2c1c1ccc(F)cc1c(=O)n2C[C@H](O)CO)OCO3	653782501	PHYLHBIZIHMDBO-JTQLQIEISA-N	383.331	1.434	10	1	GDCF	
O=Cc1ccc(N2CCN([S@](=O)(O)=C3C=CC4=NC(=O)CC4=C3)CC2)cc1	888075863	DGZVYCAWKMRMCV-UHFFFAOYSA-N	385.445	1.333	10	1	GDCF	
COC(=O)C1=CO[C@H](C)[C@@H](CO)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1	142684070	CLLCNAVPQFJGSL-KWCYVHTRSA-N	380.393	1.274	10	1	GDCF	
OCCS[C@H]1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O	95911241	OXGDROUGXCPVBP-ZACQAIPSSA-N	382.390	1.476	10	1	GDCF	biogenic,in-vitro
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CN3C(=O)c4ccccc4C3=O)O2)c(=O)[nH]c1=O	26486840	RGMKGDJNRIMSJB-MJBXVCDLSA-N	396.363	1.108	10	1	GDCF	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(O)cc2O)N=C(NN)N1	49045302	OGASXTFKHUDJSL-MRXNPFEDSA-N	398.379	1.382	10	1	GDCF	
O=C(N[C@H](CO)CCCCNC(=O)c1cccc(O)c1O)c1ccccc1O	2356822207	FTCHAQDTVPWLPI-ZDUSSCGKSA-N	388.420	1.494	10	1	GDCF	
CC1=NC(NN)=N[C@@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	169723150	ANGLIRBRVUCNTD-CVEARBPZSA-N	398.379	1.596	10	1	GDCF	
C[C@@H]1N=N[C@H](c2ccc(S(=O)(=O)N[C@@H]3SC(=S)NC3=O)cc2)S1	13532968	ZXILJSFDVXHSSD-LIEZGIJOSA-N	388.521	1.983	10	1	GDCF	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H](O)[C@](C)(O)C[C@H]3O	15215810	HHLCOPJFKYGIFD-RFZPYJOHSA-N	386.356	1.103	10	1	GDCF	biogenic
Cc1ccc(S(=O)(=O)NC(=O)N[C@H](Cc2ccc(O)c(O)c2)C(=O)O)cc1	1863775	IKSMLHMJHFMLOT-CYBMUJFWSA-N	394.405	1.090	10	1	GDCF	
CC1=C2C=C3CCCN4CCCC(=C2OC(O)=C1C=C1C(=O)NC(=O)NC1=O)[C@@H]34	2356850523	PQUJYGYJHFGIPR-MRXNPFEDSA-N	395.415	1.847	10	1	GDCF	
CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccncc3)O[C@H](CO)[C@H]1O2	95901500	ISIKKEOWKJPDMG-ZLLBNUPZSA-N	397.475	1.849	10	1	GDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CN3C(=O)c4ccccc4C3=O)O2)c(=O)[nH]c1=O	40685509	RGMKGDJNRIMSJB-IHRRRGAJSA-N	396.363	1.108	10	1	GDCF	
[N-]=[N+]=N[C@H]1C[C@H](n2cnc3nc(N)nc(OCc4ccccc4)c32)O[C@@H]1CO	96933211	GHUDHVFCEISNPM-YNEHKIRRSA-N	382.384	1.946	10	1	GDCF	
O=S(=O)(O)OC=Cc1ccc2c(c1)O[C@H]([C@@H](O)c1ccc(O)c(O)c1)O2	2356499600	GXUILVXMRFBJDB-JKSUJKDBSA-N	382.346	1.719	10	1	GDCF	
CCO[C@@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br	38155304	PEXTUNYSUGCNRK-WCLFWTKRSA-N	392.210	1.681	10	1	GDCF	
CC=C1[C@H](O)OC=C(C(=O)OC)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1	2356650352	BIWKXNFEOZXNLX-BFUOFWGJSA-N	378.377	1.542	10	1	GDCF	
COc1cc([C@H]2c3c(cc(OC)c(O)c3O)C[C@@H](CO)[C@@H]2CO)ccc1O	238764975	DVMSCLKIGOIJLC-GDZNZVCISA-N	376.405	1.726	10	1	GDCF	
COC(=O)Cn1c(O)c(/N=N\C(=O)CNC(=O)c2ccncc2)c2ccccc21	95545670	UHWXWHBKPKDQCQ-FCQUAONHSA-N	395.375	1.955	10	1	GDCF	
O=S(=O)(O)O/C=C/c1ccc2c(c1)O[C@@H]([C@@H](O)c1ccc(O)c(O)c1)O2	40395121	GXUILVXMRFBJDB-DKLOGILVSA-N	382.346	1.719	10	1	GDCF	
CN1C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O	1772594214	OJSWZSFTMYFVQV-HOTGVXAUSA-N	378.359	1.695	10	1	GDCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCCCO)O2)c(=O)[nH]c1=O	26824512	YXHFTLLFGHXAQZ-JHJVBQTASA-N	397.388	1.127	10	1	GDCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CN3C(=O)c4ccccc4C3=O)O2)c(=O)[nH]c1=O	40685515	RGMKGDJNRIMSJB-RDBSUJKOSA-N	396.363	1.108	10	1	GDCF	
NC[C@H](CCCCNC(=O)c1ccccc1O)NC(=O)c1cccc(O)c1O	1857575042	HJKTUTBIUUIOGM-ZDUSSCGKSA-N	387.436	1.461	10	1	GDCF	
C[C@@H](O)CCC[C@@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	6036401	GGNDESPZSKTNHV-PRHODGIISA-N	388.372	1.869	10	1	GDCF	biogenic
C[C@@H]1C(=O)NN=C2COc3cc(C(F)(F)F)c(N(C)C4(C)CN(C)C4)cc3N21	299834350	LFKQXDRWWTVIRU-SNVBAGLBSA-N	397.401	1.876	10	1	GDCF	
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(O)c(OC)c1	28875260	AJXBUJJCNMFVCM-LHRNQBEKSA-N	387.388	1.726	10	1	GDCF	
CC(=O)NCCc1ccc2c(c1)O[C@@H](NC(C)=O)[C@H](c1ccc(O)c(O)c1)O2	13351364	VUANWDRZYTXGPI-VQTJNVASSA-N	386.404	1.751	10	1	GDCF	biogenic
[N-]=[N+]=NC[C@H]1C/C(=C2\O[C@@H]3CC(=O)N3[C@@H]2C(=O)OCc2ccccc2)C(=O)O1	1772622654	OQJRHYHETOWZLM-WOJJMYDCSA-N	384.348	1.567	10	1	GDCF	
COc1cc(C)cc2c1C(=O)c1c(O)cc(CN(CCO)CCO)cc1C2=O	26725382	RHVMILQERJSSKD-UHFFFAOYSA-N	385.416	1.271	10	1	GDCF	
CCC[C@H]1O[C@H](CC(N)=O)C[C@]23O[C@]12C(=O)c1c(O)cc(OC)cc1C3=O	299822809	BVHMHHVRJIFURL-YFTNOKGMSA-N	375.377	1.121	10	1	GDCF	
COc1cc([C@@H]2Oc3cc(/C=C/CO)cc(OC)c3O[C@@H]2CO)cc(O)c1O	13462093	GJTCFMOIDDENBS-HYIIBOEBSA-N	390.388	1.994	10	1	GDCF	biogenic,in-vitro
O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN[C@H]3CCNC3)c1c2O	199840319	VJZJKGDWWTVTPG-NSHDSACASA-N	377.400	1.806	10	1	GDCF	
C[C@@]1(O)CC[C@@H](c2c(O)cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)CO1	144030741	MKIQOKFAFBXAKE-SQFXPLBJSA-N	386.356	1.887	10	1	GDCF	
NCC[C@H]1CN([C@@H]2N=C3c4c(O)cccc4C(=O)c4cccc(c43)O2)CCO1	169300813	BEEMSCFIHUUMEC-QKVFXAPYSA-N	379.416	1.500	10	1	GDCF	
Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2cnn(C)c2C4=NCC3)cc1	13687155	NKZARHNKWVBABN-UHFFFAOYSA-N	380.429	1.705	10	1	GDCF	
Cc1nnc(NS(=O)(=O)c2ccc([C@@H]3SC(=S)NC3=O)cc2)s1	13761316	KRPNZNSJPQZLEQ-VIFPVBQESA-N	386.505	1.836	10	1	GDCF	
COc1ccc([C@H]2Oc3cc(OC)c(O)c(O)c3C(=O)[C@@H]2OC)c(O)c1O	69482253	KBYNNCARPAANNO-MSOLQXFVSA-N	378.333	1.858	10	1	GDCF	biogenic,in-vitro
C[C@@H]1C(=O)NN=C2COc3cc(C(F)(F)F)c(N(C)C4(C)CNC4)cc3N21	145812786	JBMHZCFLOFGOKL-SECBINFHSA-N	383.374	1.534	10	1	GDCF	
C[C@@H](Nc1c2ccccc2nc2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)O	4177382	ZGGVWBGDDZLTBE-BDJLRTHQSA-N	380.404	1.633	10	1	GDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCCCO)O2)c(=O)[nH]c1=O	26824522	YXHFTLLFGHXAQZ-YNEHKIRRSA-N	397.388	1.127	10	1	GDCF	
Cc1c(O)c(O)c(O)c2c1CO[C@@H]2[C@@H]1O[C@H](O)c2c(C)c(O)c(O)c(O)c21	2356648959	VJXHTAZAWHMKML-KSZLIROESA-N	378.333	1.871	10	1	GDCF	
Cc1c2c(cn1-c1ccccc1C(N)=O)C(=O)c1cc(O)c(O)c(O)c1C2=O	2356540519	AHHRHPVDJMCSOB-UHFFFAOYSA-N	378.340	1.777	10	1	GDCF	
NS(=O)(=O)c1ccc(/N=N/C2=c3cc(Br)ccc3=NC2=O)cc1	20149018	BWTHJLODYBOEIY-VHEBQXMUSA-N	393.222	1.148	10	1	GDCF	in-vivo
COc1ccc(N2CCN(CCn3c(=O)[nH]c4cscc4c3=O)CC2)cc1	29479833	DPYAJISIBJIKCO-UHFFFAOYSA-N	386.477	1.582	10	1	GDCF	
CC1=NC(NN)=N[C@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	169723151	ANGLIRBRVUCNTD-HZPDHXFCSA-N	398.379	1.596	10	1	GDCF	
CS(=O)(=O)Nc1ccc(-c2cc(/C=C3\SC(N)=NC3=O)c[nH]c2=O)cc1	100536402	CAGBKPAOQSJGEV-QPEQYQDCSA-N	390.446	1.342	10	3	GDCF	
COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@@H]2C[C@@H](C=CC(=O)O)[C@@H](CO)CN12	2356420990	UZXFJCWMJLYOCH-QZCPTFHJSA-N	398.459	1.888	10	1	GDCF	
COc1cc2c3c(n(CCN)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	27651924	MPCBEXVJHXDITH-UHFFFAOYSA-N	394.383	1.918	10	1	GDCF	
C[C@H]1N=N[C@@H](c2ccc(S(=O)(=O)N[C@H]3SC(=S)NC3=O)cc2)S1	40712326	ZXILJSFDVXHSSD-FZYJTZEISA-N	388.521	1.983	10	1	GDCF	
[N-]=[N+]=N[C@H]1[C@@H](CF)O[C@@H](n2cnc3c(N)nc(OC4CCCC4)nc32)[C@@H]1O	72142774	QHDMVWJAYIEMPY-SZRLZVLASA-N	378.368	1.637	10	1	GDCF	
Nc1nc(Cl)c(/N=N/c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	73223031	LSSITMMWVNDESC-JQAVSKHXSA-N	378.820	1.642	10	1	GDCF	
Nc1nonc1N=Nc1nonc1N=Nc1nonc1N=Nc1nonc1N	621431315	AWOYHBPHGDIPCW-UHFFFAOYSA-N	388.228	1.629	10	1	GDCF	
Cc1c(O)c(O)c(O)c2c1CO[C@]1(OCc3c(C)c(O)c(O)c(O)c31)C2=O	2356740831	NRYXVYOFLNWMAZ-GOSISDBHSA-N	376.317	1.633	10	1	GDCF	
CN1C[C@@H](CNS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21	40867112	IEVQSJGJLKPGSL-MZMPZRCHSA-N	376.526	1.534	10	1	GDCF	in-vivo
O=S(=O)(O)O[C@H]1Cc2cc(O)cc(O)c2O[C@H]1c1cc(O)c(O)c(O)c1	85588710	PFNBTZIECYHRTC-WFASDCNBSA-N	386.334	1.079	10	1	GDCF	endogenous,in-man
COc1cc(-n2n[n+](C)c3c2C(=O)c2ccccc2C3=O)cc(OC)c1OC	169310479	SVTCQMIZKBLJFK-UHFFFAOYSA-N	380.380	1.498	10	1	GDCF	
O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3cc(O)c(O)c(Cl)c3)N2C(=O)[C@@H]2CCCN12	963209783	XORFDWPIGYNVID-HUBLWGQQSA-N	388.811	1.322	10	1	GDCF	
CN1C[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O	1772588555	CXUDKZUEAYAFSI-HOTGVXAUSA-N	378.359	1.695	10	1	GDCF	
Cn1c(O)c(C2=NNC(=O)C2=C2C(=O)Nc3ccccc32)c(=O)c2ccccc21	2356859294	STAJUDWKVSQTCT-UHFFFAOYSA-N	386.367	1.484	10	1	GDCF	
CNC(=O)c1cc([C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)ccc1O	26989866	MRDLOHXKKOGJSY-HXUWFJFHSA-N	385.464	1.616	10	1	GDCF	
Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2c(cnn2C)C4=NCC3)cc1	13687120	CKOLBFNMYHDOKL-UHFFFAOYSA-N	380.429	1.705	10	1	GDCF	
O=C1c2ccccc2C(=O)c2c1c(O)c1occ(C(=O)N[C@H]3CCNC3)c1c2O	1857762043	YXZIRWCQMPRHNI-VIFPVBQESA-N	392.367	1.711	10	1	GDCF	
CC1=C2C=C3CCCN4CCCC(=C2OC(O)=C1C=C1C(=O)NC(=O)NC1=O)[C@H]34	2356850522	PQUJYGYJHFGIPR-INIZCTEOSA-N	395.415	1.847	10	1	GDCF	
O=C(/C=C/c1ccc(O)c(O)c1)NCCCNC(=O)/C=C/c1ccc(O)c(O)c1	28530367	WRSIYIWYCULGFM-KBXRYBNXSA-N	398.415	1.858	10	1	GDCF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(O)c1O	6483597	UCILNJOMIKDJGF-MJQACMKBSA-N	386.356	1.803	10	1	GDCF	
O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN[C@@H]3CCNC3)c1c2O	199829521	VJZJKGDWWTVTPG-LLVKDONJSA-N	377.400	1.806	10	1	GDCF	
CN(C)CCNc1ccc2c3c(nn2CCO)-c2c(O)ccc(O)c2C(=O)c13	28757893	MWEVHINBFPDFJY-UHFFFAOYSA-N	382.420	1.625	10	1	GDCF	
CCO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br	5832332	PEXTUNYSUGCNRK-LNIGCWLISA-N	392.210	1.681	10	1	GDCF	
NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN)cc1C2=O	29059988	CAKAFBCKHAQHAF-UHFFFAOYSA-N	380.404	1.037	10	1	GDCF	
O=S(=O)(O)O/C=C/c1ccc2c(c1)O[C@H]([C@@H](O)c1ccc(O)c(O)c1)O2	40395120	GXUILVXMRFBJDB-DZEZYYDTSA-N	382.346	1.719	10	1	GDCF	
CCOC(=O)CNC(=O)N1Cc2cc(N3CCCCC3)ccc2-n2nncc2C1	95568165	MBMFOXGJJHEPTG-UHFFFAOYSA-N	398.467	1.846	10	3	GDCF	
COc1ccccc1N1C(=O)[C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@H]2C1=O	1772642053	PEYAQGQDGWLEHL-RHSMWYFYSA-N	390.395	1.564	10	1	GDCF	
CCOC(=O)N1CCN(c2c(NCc3ccc(N(C)C)cc3)c(=O)c2=O)CC1	101536266	AUCQCGMQSDWPMT-UHFFFAOYSA-N	386.452	1.239	10	3	GDCF	
CC(=O)OCO/N=[N+](\[O-])N1CCC[C@H]1COC(=O)c1ccccc1OC(C)=O	40395699	ANVXVUURHCLAID-DPHDRGAJSA-N	395.368	1.563	10	1	GDCF	
CN(C)CCn1nc2c3c(c(NCCN)ccc31)C(=O)c1c(O)ccc(O)c1-2	28757558	QWGAFJDOZWZUOR-UHFFFAOYSA-N	381.436	1.591	10	1	GDCF	
C=C1C(=O)OC2=C1C[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@@H]2O5	100665356	QTMBORSBMGILGD-HZUHNNHMSA-N	393.439	1.933	10	1	GDCF	
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc(N)cc4)CC3)cc12	13743216	ZACFZWUHIVILBS-UHFFFAOYSA-N	393.491	1.979	10	1	GDCF	
C[C@@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@@H](N)[C@H]1O	84602757	FGKGGXAKBOJDGK-UGDBAASPSA-N	399.399	1.213	10	1	GDCF	
NCC[C@@H]1CN([C@H]2N=C3c4c(O)cccc4C(=O)c4cccc(c43)O2)CCO1	96937624	BEEMSCFIHUUMEC-XUSGNXJCSA-N	379.416	1.500	10	1	GDCF	
O=C(O)/C(=C\c1ccc(O)c(O)c1)[C@@H](c1ccc(O)c(O)c1)[C@H](O)C(=O)O	103258682	GRVCQHNOZLCUEA-VDRJNSHASA-N	376.317	1.206	10	1	GDCF	
C[C@H]1N=N[C@H](c2ccc(S(=O)(=O)N[C@@H]3SC(=S)NC3=O)cc2)S1	13532964	ZXILJSFDVXHSSD-NRZXQICZSA-N	388.521	1.983	10	1	GDCF	
[N-]=[N+]=NC[C@@H]1C/C(=C2\O[C@@H]3CC(=O)N3[C@@H]2C(=O)OCc2ccccc2)C(=O)O1	1772622652	OQJRHYHETOWZLM-JJLKKSQTSA-N	384.348	1.567	10	1	GDCF	
O=C(N[C@H]1CCNC1)c1cc2c(O)c3c(c(O)c2o1)C(=O)c1ccccc1C3=O	1857607384	DKAYLJYDVHDZJS-VIFPVBQESA-N	392.367	1.711	10	1	GDCF	
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)c(O)cc3nc2-1	17175539	NZBWDXQHPPLZOH-HXUWFJFHSA-N	380.356	1.491	10	1	GDCF	
CN(C)CCCn1nc2c3c(c(NCCN)ccc31)C(=O)c1c(O)ccc(O)c1-2	28758728	JJMIJSCXVWXQIK-UHFFFAOYSA-N	395.463	1.981	10	1	GDCF	
O=S(=O)(O)O/C=C/c1ccc2c(c1)O[C@H]([C@H](O)c1ccc(O)c(O)c1)O2	40395118	GXUILVXMRFBJDB-DOOVEFGSSA-N	382.346	1.719	10	1	GDCF	
O=C(O)[C@H]1SCCN1S(=O)(=O)c1ccc(/N=N\N2CCOCC2)cc1	101461266	LUFWANKMKMLTFJ-JFVSRZABSA-N	386.455	1.166	10	1	GDCF	
O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(Cl)c2nonc12	114628179	LRHKSZDDRZAJAO-UHFFFAOYSA-N	377.773	1.857	10	1	GDCF	
COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@@H]2C[C@H](C=CC(=O)O)[C@H](CO)CN12	2356420989	UZXFJCWMJLYOCH-LSOMNZGLSA-N	398.459	1.888	10	1	GDCF	
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CC/N=N/c1ccccc1	169689069	XHRLCRVMZZSCAR-KNTRCKAVSA-N	377.202	1.970	10	1	GDCF	
CCO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br	38155307	PEXTUNYSUGCNRK-RWTAZIOVSA-N	392.210	1.681	10	1	GDCF	
COc1cc([C@@H]2Oc3cc(C=CCO)cc(OC)c3O[C@@H]2CO)cc(O)c1O	2356472714	GJTCFMOIDDENBS-MJGOQNOKSA-N	390.388	1.994	10	1	GDCF	
CN1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1=O	1772589048	VFQSARNDWMPKFG-OQLLNIDSSA-N	375.340	1.466	10	1	GDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CN3C(=O)c4ccccc4C3=O)O2)c(=O)[nH]c1=O	26486844	RGMKGDJNRIMSJB-BFHYXJOUSA-N	396.363	1.108	10	1	GDCF	
CCCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	13831452	DDMQMEHUBDWPBT-HKWRFOASSA-N	398.332	1.839	10	1	GDCF	
CN1C[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O	1772588554	CXUDKZUEAYAFSI-CVEARBPZSA-N	378.359	1.695	10	1	GDCF	
CN1C(=O)/C(=C/Nc2cccc3c2C(=O)c2ccccc2C3=O)C(=O)NC1=S	1772655181	LFLJQZXIGPMBKG-UKTHLTGXSA-N	391.408	1.631	10	1	GDCF	
O=C(OCCCOC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1	167830827	UFLYAELWCJRABW-UHFFFAOYSA-N	380.305	1.324	10	1	GDCF	
O=C(N[C@@H]1CCNC1)c1cc2c(O)c3c(c(O)c2o1)C(=O)c1ccccc1C3=O	1857586416	DKAYLJYDVHDZJS-SECBINFHSA-N	392.367	1.711	10	1	GDCF	
CCOC(=O)Cc1c2c3c(cc(O)c(O)c3oc1=O)C(=O)O[C@H]2C(=O)OCC	14655793	ZSGXCHNAYOOIFO-OAHLLOKOSA-N	392.316	1.084	10	1	GDCF	biogenic
CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O	1857567791	VFBUHDWSAHILTP-UHFFFAOYSA-N	392.419	1.404	10	1	GDCF	
COc1ccc([C@@H]2Oc3cc(OC)c(O)c(O)c3C(=O)[C@@H]2OC)c(O)c1O	2356329680	KBYNNCARPAANNO-ROUUACIJSA-N	378.333	1.858	10	1	GDCF	
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2cccnc2)cn1	66075363	WZVLQVVHYKFKAZ-UHFFFAOYSA-N	376.424	1.442	10	1	GDCF	in-vitro
Cc1nnc(NS(=O)(=O)c2ccc([C@H]3SC(=S)NC3=O)cc2)s1	13761317	KRPNZNSJPQZLEQ-SECBINFHSA-N	386.505	1.836	10	1	GDCF	
[N-]=[N+]=NC[C@H]1O[C@@H](n2cc(Br)c3c(Cl)ncnc32)[C@H](O)[C@@H]1O	13809453	FWELCOVBAZVDFP-IOSLPCCCSA-N	389.597	1.777	10	1	GDCF	
Cc1c(O)ccc2c1[C@@](C)(c1ccc(N3CCOCC3)c(N)c1)N[C@H](C(=O)O)C2	963522575	FNDPMRZAUZOONJ-HTAPYJJXSA-N	397.475	1.982	10	1	GDCF	
Cc1ccc(/N=N/c2c(Cl)nc(N)nc2N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1	68198503	OGPOISRWZQKGOU-RJNZRPNOSA-N	392.847	1.951	10	1	GDCF	
COc1ccc2c(c1)[C@@H](/C=C1\C(=O)Nc3ccc(S(N)(=O)=O)cc31)CN2C	40394933	UTQKOEQSWZUVKW-FQKZPNAISA-N	385.445	1.912	10	1	GDCF	
O=C(N[C@@H](CO)CCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1	2356333222	OUQJUFKBCBSNPA-CQSZACIVSA-N	388.420	1.494	10	1	GDCF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1	587747290	PLFANEWMJIFKKY-IIRLODAESA-N	385.237	1.810	10	1	GDCF	
CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2cnccn2)C1	4209447	WTQVRNWLNCDFKY-PKOBYXMFSA-N	397.479	1.775	10	1	GDCF	
O=S(=O)(O)OC=Cc1ccc2c(c1)O[C@@H]([C@@H](O)c1ccc(O)c(O)c1)O2	2356499597	GXUILVXMRFBJDB-HOTGVXAUSA-N	382.346	1.719	10	1	GDCF	
[N-]=[N+]=NC[C@H]1C/C(=C2\O[C@@H]3CC(=O)N3[C@H]2C(=O)OCc2ccccc2)C(=O)O1	1772622651	OQJRHYHETOWZLM-GHWOIFOTSA-N	384.348	1.567	10	1	GDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCCCO)O2)c(=O)[nH]c1=O	26824517	YXHFTLLFGHXAQZ-XQQFMLRXSA-N	397.388	1.127	10	1	GDCF	
COC(=O)[C@@H](NCCN[C@@H](C(=O)OC)c1ccccc1O)c1ccccc1O	19368705	USRBZNLQBVIVDK-HDICACEKSA-N	388.420	1.405	10	1	GDCF	
CN(C)c1ccc(OCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1	218908360	BHOAFOUTWVNKQO-HXUWFJFHSA-N	383.492	1.667	10	1	GDCF	
COc1cc([C@H]2c3c(cc(O)c(O)c3OC)C[C@@H](CO)[C@@H]2CO)ccc1O	96938757	ZTGOHMMUSJJTBS-GDZNZVCISA-N	376.405	1.726	10	1	GDCF	
COC(=O)[C@H](NCCN[C@@H](C(=O)OC)c1ccccc1O)c1ccccc1O	19368710	USRBZNLQBVIVDK-QZTJIDSGSA-N	388.420	1.405	10	1	GDCF	
C[C@]12Cc3cc(O)c4c(c3[C@@H]1C=C[C@@H](O)[C@H]2O)C(=O)c1cccc(O)c1C4=O	2356702598	LTUULXMCGVJSAA-XWXZCSEUSA-N	378.380	1.811	10	1	GDCF	
CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	96928431	XCPHDYIAWKXLIH-XOVSCCBYSA-N	394.424	1.985	10	1	GDCF	
O=C(O)C(=Cc1ccc(O)c(O)c1)[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C(=O)O	2356564880	GRVCQHNOZLCUEA-HZPDHXFCSA-N	376.317	1.206	10	1	GDCF	
COc1c(OS(=O)(=O)O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O	14760563	NOCHZYLEPAPRNC-UHFFFAOYSA-N	396.329	1.767	10	1	GDCF	biogenic
CCOC(=O)N1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	13831464	CBRJDKTVZPKXFR-HKWRFOASSA-N	398.332	1.839	10	1	GDCF	
C[C@@]1(Br)C(=O)N=C(O)N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)[C@H]1N=[N+]=[N-]	17214522	IMNYUQITPPIELN-UTAYWCBXSA-N	389.170	1.319	10	1	GDCF	
COc1ccc(N2CCN(C(=O)Cn3nnc(-c4ccccc4N)n3)CC2)cc1	1325300	KBMZEMFXGFQYSX-UHFFFAOYSA-N	393.451	1.280	10	3	GDCF	
C[C@]1(Br)C(O)=NC(=O)N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)[C@H]1N=[N+]=[N-]	17214520	IMNYUQITPPIELN-WIWHXQPGSA-N	389.170	1.955	10	1	GDCF	
COc1c(-c2ccc(O)cc2)oc2cc(OS(=O)(=O)O)c(O)c(O)c2c1=O	14644900	KDVOBVBPKCRDQE-UHFFFAOYSA-N	396.329	1.767	10	1	GDCF	biogenic
O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(O)c(O)c1	36227524	VHGHCHCIUSJPGL-UHFFFAOYSA-N	394.424	1.426	10	3	GDCF	
COc1cc(C[C@@]2(O)C(=O)OC[C@H]2Cc2ccc3c(c2)OCO3)cc(O)c1O	14437815	GENGJDIMWQYHFT-XCLFUZPHSA-N	388.372	1.524	10	1	GDCF	biogenic
COc1ccc(C[C@]2(O)CO[C@@H](c3ccc(O)c(O)c3)[C@H]2CO)cc1OC	238741939	XQJUJTWUBOZRIA-UAOJZALGSA-N	376.405	1.769	10	1	GDCF	
COc1cc([C@@H]2Oc3cc(C=CCO)cc(OC)c3O[C@H]2CO)cc(O)c1O	2356472712	GJTCFMOIDDENBS-HKUYNNGSSA-N	390.388	1.994	10	1	GDCF	
COc1ccccc1N1C(=O)[C@H]2[C@H](CN(C)C23C(=O)c2ccccc2C3=O)C1=O	1772642054	PEYAQGQDGWLEHL-WMLDXEAASA-N	390.395	1.564	10	1	GDCF	
C[C@]1(Br)C(=O)N=C(O)N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)[C@@H]1N=[N+]=[N-]	27429151	IMNYUQITPPIELN-JZISLWQYSA-N	389.170	1.319	10	1	GDCF	
O=C1c2ccsc2C(=O)c2c(NCCN3CC3)ccc(NCCN3CC3)c21	26577243	CPLSCFCSEPZLBL-UHFFFAOYSA-N	382.489	1.979	10	1	GDCF	
COc1ccc2c(c1)[C@H](/C=C1\C(=O)Nc3ccc(S(N)(=O)=O)cc31)CN2C	40394934	UTQKOEQSWZUVKW-CRZGJZTJSA-N	385.445	1.912	10	1	GDCF	
[N-]=[N+]=C[C@@]1(CC[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587578716	XBLYRCGHGHHTPK-IOHHAYIISA-N	383.360	1.585	10	1	GDCF	
O=C(NCCN1CCOCC1)c1cc(NCc2cc(O)ccc2O)ccc1O	13861844	YJIVRSMVMSDVHJ-UHFFFAOYSA-N	387.436	1.478	10	1	GDCF	
COc1cc([C@H]2Oc3cc(C=CCO)cc(OC)c3O[C@@H]2CO)cc(O)c1O	2356472713	GJTCFMOIDDENBS-IEBWSBKVSA-N	390.388	1.994	10	1	GDCF	
CC[C@]1(Br)C(O)=NC(=O)N([C@@H]2C[C@@H](O)[C@@H](CO)O2)[C@@H]1N=[N+]=[N-]	17214640	XOCGUOPQZHTKCR-JRBRYBSUSA-N	378.183	1.027	10	1	GDCF	
CC(=O)C[C@@]1(O)Cc2cc3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O	2356323956	GIGPEJZJXUVRPI-LHSJRXKWSA-N	382.368	1.563	10	1	GDCF	
Cc1cc(N)c(O)c([C@]2(C)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1	963215559	BEKSIHBOBPZHSO-AUSJPIAWSA-N	381.436	1.027	10	1	GDCF	
O=C(NCCCC[C@@H]1CN=C(c2cccc(O)c2O)N1)c1cccc(O)c1O	2356324617	SFLDBSNOISLFEG-GFCCVEGCSA-N	385.420	1.828	10	1	GDCF	
Cc1c(O)c(O)c(O)c2c1CO[C@H]2[C@H]1O[C@@H](O)c2c(C)c(O)c(O)c(O)c21	84635045	VJXHTAZAWHMKML-FGTMMUONSA-N	378.333	1.871	10	1	GDCF	
COc1ccc(C[C@]2(O)CO[C@H](c3ccc(O)c(O)c3)[C@H]2CO)cc1OC	2356393049	XQJUJTWUBOZRIA-XMCHAPAWSA-N	376.405	1.769	10	1	GDCF	
CN1CCN(NC(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1	198923614	SHWWLFGNZIRLQZ-UVTDQMKNSA-N	394.497	1.306	10	1	GDCF	
O=C(Cc1ccc(O)c(O)c1)NCCCCNC(=O)Cc1ccc(O)c(O)c1	95597558	BXOAGMYKQSVMPC-UHFFFAOYSA-N	388.420	1.307	10	1	GDCF	
Nc1ccc(CCC(=O)Nc2ccc(CCC(=O)N3C[C@H](O)[C@@H](O)C3)cc2)cc1	1772570995	UJLXDAUBYCOORW-PMACEKPBSA-N	397.475	1.337	10	1	GDCF	
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)NCc1ccc(O)c(O)c1	13553526	LXUWTRYNMMUYGZ-GFCCVEGCSA-N	376.365	1.093	10	1	GDCF	
C[C@@H](O)CC[C@@H](CO)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	2356796702	NLKGBAPOCWPDFC-BDAKNGLRSA-N	388.372	1.521	10	1	GDCF	
NC(=O)NCCC[C@H](N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	587260378	VAJWDLSFJLGDHV-ZDUSSCGKSA-N	377.404	1.787	10	1	GDCF	
CCC(=O)c1c(CC(=O)OC)c(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O	13480500	LGGQRLLRNJDSFM-UHFFFAOYSA-N	384.340	1.887	10	1	GDCF	biogenic
O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCCCC2)cc(O)c1O	72108109	YEZXHUHEKFJYFT-UHFFFAOYSA-N	380.422	1.795	10	1	GDCF	
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@H](O)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O	4654745	WCKNDRCJQZCZLO-PTPDTQQLSA-N	398.367	1.318	10	1	GDCF	biogenic
NC1=N[C@H]2[C@H](/N=N/c3ccc(Br)cc3)C(N)=NN2c2n[nH]c(N)c21	205259484	XFESENCNLKPNLM-QYHSHVLOSA-N	389.221	1.044	10	1	GDCF	
CC=C1[C@@H](O)OC=C(C(=O)OC)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1	2356650355	BIWKXNFEOZXNLX-YJYMSZOUSA-N	378.377	1.542	10	1	GDCF	
COC(=O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1Cc1ccc(N2CCN(C)CC2)cc1	8690103	KZAWBAONFXVOLN-NRDMVMEKSA-N	387.524	1.715	10	3	GDCF	
CCCn1c(=O)c2[nH]c([C@H]3CCC(=O)C3)nc2n(CCc2ccc(N)cc2)c1=O	13832610	SYUQQQFRDCSCCA-AWEZNQCLSA-N	395.463	1.958	10	1	GDCF	
N[C@@H]1CCN(C(=O)c2cc3c(O)c4c(c(O)c3o2)C(=O)c2ccccc2C4=O)C1	1857618005	GCKOLCXRQOKDBR-SECBINFHSA-N	392.367	1.793	10	1	GDCF	
COc1cc(C[C@]2(O)C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(O)c1O	14437810	GENGJDIMWQYHFT-RNODOKPDSA-N	388.372	1.524	10	1	GDCF	biogenic
COc1cc(N(C)C[C@@H]2CCC3=C(C2)C(N)=N[C@H](N)N3)cc(OC)c1OC	38377674	JJWPLCQODKLEHY-NSPYISDASA-N	375.473	1.406	10	1	GDCF	in-vitro
CN(C)c1ccc(CNC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)cc1	7096821	FMMWGKQJWDBONR-UHFFFAOYSA-N	395.415	1.142	10	1	GDCF	biogenic
CCO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br	27432258	PEXTUNYSUGCNRK-RCYRUSIOSA-N	392.210	1.681	10	1	GDCF	
COc1cc([C@@H]2c3cc(O)c(O)cc3[C@H](O)[C@H]3COC(=O)[C@H]23)cc(OC)c1O	6483604	SMPCOLOECPREKW-MJQACMKBSA-N	388.372	1.789	10	1	GDCF	biogenic
Cc1ccc(-c2csc(NS(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)n2)cc1	2469691	BXKBGSWRKHWGCU-UHFFFAOYSA-N	378.435	1.604	10	1	GDCF	
Cc1ccc(S(=O)(=O)NCC[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1	27717498	SMDUUUZQDPCUOE-IFXJQAMLSA-N	394.493	1.786	10	1	GDCF	
COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(O)c1O	14437811	GENGJDIMWQYHFT-RBZFPXEDSA-N	388.372	1.524	10	1	GDCF	biogenic
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@]1(C)O)C(=O)c1ccccc1C3=O	2356700887	KUXNFBVWRRWWGT-PCMMCCAGSA-N	382.368	1.612	10	1	GDCF	
COc1cc(OC)c2c(c1)C(=O)c1cc(O)c([C@@H](CO)CCO)c(O)c1C2=O	238764698	QAOFEISHCMZANP-SECBINFHSA-N	388.372	1.349	10	1	GDCF	
COc1ccc(C[C@]2(O)[C@@H](O)[C@H]2COC(=O)c2ccc(O)c(O)c2)cc1OC	33833784	YFTZOOKESGCQMT-ORPRQENYSA-N	390.388	1.236	10	1	GDCF	biogenic
CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccn3)O[C@@H](CO)[C@@H]1O2	95901788	PSRJUTPUZRNONK-JXYHXMIBSA-N	397.475	1.849	10	1	GDCF	
CC[C@]1(O)C[C@@H](O)c2cc3c(c(O)c2[C@H]1O)C(=O)c1c(O)ccc(O)c1C3=O	2356544541	TWFQRMYYLLRFKE-LAOHPYGUSA-N	386.356	1.190	10	1	GDCF	
O=c1cc(-c2cc(O)c(O)c(OS(=O)(=O)O)c2)oc2cc(O)cc(O)c12	14644642	ALWPMYZSGIZWBM-UHFFFAOYSA-N	382.302	1.464	10	1	GDCF	biogenic
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1	587747291	PLFANEWMJIFKKY-MIUALZABSA-N	385.237	1.810	10	1	GDCF	
COc1ccc(N2CCN(C(=O)CSc3nnc4ncccn34)CC2)cc1	1365396	FJLQFZNRIJFZRW-UHFFFAOYSA-N	384.465	1.574	10	3	GDCF	
Cc1cc(N)c(O)c([C@@]2(C)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1	963215561	BEKSIHBOBPZHSO-AVYPCKFXSA-N	381.436	1.027	10	1	GDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)C(F)(F)F)O2)c(=O)[nH]c1=O	29247100	JFKCXFWPZSYHHT-RNJXMRFFSA-N	399.222	1.533	10	1	GDCF	
CN(C)CCn1nc2c3c(c(NCCCN)ccc31)C(=O)c1c(O)ccc(O)c1-2	28757557	HOEKVXGWYLEHLV-UHFFFAOYSA-N	395.463	1.981	10	1	GDCF	
CN1CCN(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1	1857752664	YAVDKEABMNGZBX-KAMYIIQDSA-N	376.507	1.166	10	1	GDCF	
COC(=O)C1=CO[C@H](C)[C@@H](CO)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1	2356514292	CLLCNAVPQFJGSL-MRVWCRGKSA-N	380.393	1.274	10	1	GDCF	
C[C@]12Cc3cc(O)c4c(c3[C@@H]1C=C[C@@H](O)[C@@H]2O)C(=O)c1c(O)ccc(O)c1C4=O	2356695022	QDRZJOVCBOSRTN-NMQBTAKKSA-N	394.379	1.516	10	1	GDCF	
CN(C)Cc1cc(C[C@@H]2CC[C@@H](O)[C@@H](CNCc3ccccc3O)O2)no1	2356297997	KIKOXUCWHLCMOJ-PWIZWCRZSA-N	375.469	1.683	10	1	GDCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)C(F)F)O2)c(=O)[nH]c1=O	29250866	KVSKFTCBBSRLRX-PRJMDXOYSA-N	381.232	1.236	10	1	GDCF	
CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1c(O)ccc(O)c1C3=O	14686602	NRVVIGXQFAVEQQ-VQTJNVASSA-N	386.356	1.405	10	1	GDCF	biogenic
CC(C)(C)OC(=O)N1CCN(c2ccc(O[C@H]3CCC(=O)NC3=O)cc2)CC1	1857598758	DTIVTHOMUDEPOH-INIZCTEOSA-N	389.452	1.928	10	1	GDCF	
CC(=O)NCCc1ccc2c(c1)O[C@H](NC(C)=O)[C@H](c1ccc(O)c(O)c1)O2	13351360	VUANWDRZYTXGPI-PMACEKPBSA-N	386.404	1.751	10	1	GDCF	biogenic
C[C@]12Cc3cc(O)c4c(c3[C@@H]1C=C[C@H](O)[C@@H]2O)C(=O)c1cccc(O)c1C4=O	2356702596	LTUULXMCGVJSAA-NYBTYATNSA-N	378.380	1.811	10	1	GDCF	
COc1ccc(N2C(=O)[C@@H]3CN(C)C4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	1772626601	KDAWBOVUSUFITH-IAGOWNOFSA-N	390.395	1.564	10	1	GDCF	
CN(C)CCCNC(=O)Cc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	5664888	NQAATGKBABGLRD-UHFFFAOYSA-N	382.416	1.484	10	1	GDCF	
COc1ccc(C[C@@]2(O)[C@@H](O)[C@H]2COC(=O)c2ccc(O)c(O)c2)cc1OC	33833783	YFTZOOKESGCQMT-MJWYBRSISA-N	390.388	1.236	10	1	GDCF	biogenic,in-vitro
COc1cc([C@@H]2c3cc(O)c(O)cc3[C@@H](O)[C@H]3COC(=O)[C@H]23)cc(OC)c1O	6483605	SMPCOLOECPREKW-HQKIHSOMSA-N	388.372	1.789	10	1	GDCF	
CC(=O)CC[C@@H]1c2c(O)cc3c(c2O[C@@H]1O)C(=O)c1c(O)cc(O)cc1C3=O	14513118	CQHLQVWKORQOPA-YBYGRFCBSA-N	384.340	1.742	10	1	GDCF	biogenic
CS(=O)(=O)Nc1ccc(O)c(-c2nc3nc(Br)c[nH]c-3n2)c1	586948442	GOGZPOZPMLMCRH-UHFFFAOYSA-N	384.215	1.811	10	1	GDCF	
Cc1ccc2c(c1)cc(/C=C1\SC(=S)N(CC(=O)O)C1=O)c1nnnn12	653918486	UOUILVRXRWHGLU-SDQBBNPISA-N	385.430	1.872	10	1	GDCF	
Cn1c2ccccc2c2ccc(C[C@@H](NCP(=O)(O)O)c3nnn[nH]3)cc21	13805004	CVLPLAHWGXBTKP-CQSZACIVSA-N	386.352	1.853	10	1	GDCF	
Cc1ccc(S(=O)(=O)NCC[C@@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1	27717518	SMDUUUZQDPCUOE-KUHUBIRLSA-N	394.493	1.786	10	1	GDCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(CCCBr)c1=O	40662343	GVYNLPHKOWHHJO-VWYCJHECSA-N	388.222	1.062	10	1	GDCF	
CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccccn3)O[C@@H](CO)[C@H]1O2	95901787	PSRJUTPUZRNONK-UPSSIMKTSA-N	397.475	1.849	10	1	GDCF	
COc1ccc(N2C(=O)[C@H]3[C@H](CN(C)C34C(=O)c3ccccc3C4=O)C2=O)cc1	1772626600	KDAWBOVUSUFITH-DLBZAZTESA-N	390.395	1.564	10	1	GDCF	
COc1cc([C@@H]2c3cc(O)c(O)cc3[C@H](O)[C@@H]3COC(=O)[C@H]32)cc(OC)c1O	2356413228	SMPCOLOECPREKW-WAFHWIMBSA-N	388.372	1.789	10	1	GDCF	
O=C(O)C1=Cc2cc(O)c(O)cc2[C@H](c2ccc(C(=O)O)oc2=O)[C@H]1C(=O)O	85951021	ONWLJVMEYSBRMO-KBPBESRZSA-N	388.284	1.064	10	1	GDCF	
O=[N+]([O-])c1cc(-c2nc(N3CCN(c4ccccn4)CC3)no2)cc(O)c1O	49112605	KZKLYLJTQOCBJA-UHFFFAOYSA-N	384.352	1.778	10	1	GDCF	
COc1cc([C@@H]2c3c(cc(OC)c(O)c3O)C[C@H](CO)[C@H]2CO)ccc1O	2356536039	DVMSCLKIGOIJLC-XNJGSVPQSA-N	376.405	1.726	10	1	GDCF	
C[C@H](Nc1c2ccccc2nc2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)O	4177379	ZGGVWBGDDZLTBE-ZBEGNZNMSA-N	380.404	1.633	10	1	GDCF	
O=c1cc(-c2ccccc2)oc2c(CN3CCN(CCO)CC3)c(O)cc(O)c12	72124900	YRLIHNHQTXWCSO-UHFFFAOYSA-N	396.443	1.981	10	1	GDCF	
CC[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(OS(=O)(=O)O)cc(O)c1C2=O	14819802	BUJUHCLMDOGSHO-LLVKDONJSA-N	394.357	1.498	10	1	GDCF	biogenic
O=C(O)[C@H]1N[C@@H](c2cc(Cl)ccc2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	4598004	SNWVRDJKEPSFRW-WCVJEAGWSA-N	386.791	1.949	10	1	GDCF	
CC(=O)NC[C@H]1CN(c2ccc([C@@H]3Cc4cc(O)c(O)cc4CN3)cc2)C(=O)O1	28568989	YJQZTPBPVICOJQ-ROUUACIJSA-N	397.431	1.946	10	1	GDCF	
O=C1c2cccc(O)c2C(=O)c2c(O)cc(C(=O)N3CCC(CO)CC3)cc21	1772597738	IHEWGULMMYHLSK-UHFFFAOYSA-N	381.384	1.718	10	1	GDCF	
COC(=O)[C@H]1[C@@H](c2ccc(O)c(O)c2)[C@@H](c2ccc(O)c(O)c2)[C@H]1C(=O)OC	2356736728	LCTBUCCWOZNIKE-USTZCAOPSA-N	388.372	1.968	10	1	GDCF	
CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(N4CCOCC4)cc3)c2n1	95594292	COMQXCCFYDDEER-UHFFFAOYSA-N	397.483	1.799	10	1	GDCF	
O=C1NC(=S)N=C(O)/C1=C\NNC(=S)Nc1ccc(C(F)(F)F)cc1	96930165	NOURKCSQRDBPPM-UHFFFAOYSA-N	389.384	1.752	10	1	GDCF	
NCCOCCOCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	587246058	JTOXNKYKMDIBLC-UHFFFAOYSA-N	379.416	1.873	10	1	GDCF	
COc1ccc([C@@H]2Oc3cc(OC)c(O)c(O)c3C(=O)[C@H]2OC)c(O)c1O	2356329681	KBYNNCARPAANNO-ZWKOTPCHSA-N	378.333	1.858	10	1	GDCF	
CC(=O)COC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1	238758725	FXYOLLBKDGAELZ-UHFFFAOYSA-N	378.289	1.180	10	1	GDCF	
Cc1cc2c(c3c1CC=C([C@](O)(CO)[C@@H]1CO1)O3)C(=O)c1c(O)cccc1C2=O	14442086	NPPHVVALVZAFOV-KSFYIVLOSA-N	394.379	1.417	10	1	GDCF	biogenic
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OS(=O)(=O)O)c(O)c(O)c12	14644879	SZZGJGZIOOVNSK-UHFFFAOYSA-N	382.302	1.464	10	1	GDCF	biogenic
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@H](O)C[C@]1(C)O)C(=O)c1ccccc1C3=O	2356700888	KUXNFBVWRRWWGT-QTPGKHNVSA-N	382.368	1.612	10	1	GDCF	
CN(C)c1ccc(Cn2c3ccccc3n3c(=O)c(=O)n(CC(=O)O)nc23)cc1	49111867	IESARKBXKZMSEB-UHFFFAOYSA-N	393.403	1.010	10	1	GDCF	
CN(C)c1ccc(/C=C/C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)cc1	5499009	CYINKGFPLPYVQV-JUKWXOASSA-N	389.477	1.398	10	1	GDCF	
C=C1C(=O)OC2=C1C[C@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@@H]2O5	169324772	QTMBORSBMGILGD-AVPCASRZSA-N	393.439	1.933	10	1	GDCF	
CN1C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O	1772594216	OJSWZSFTMYFVQV-JKSUJKDBSA-N	378.359	1.695	10	1	GDCF	
CNCCNc1ccc(NCCNC)c2c1C(=O)c1c(O)ccc(O)c1C2=O	5115473	MNVGYAUOXACCPD-UHFFFAOYSA-N	384.436	1.136	10	1	GDCF	
COc1cc(N2CC[C@H]3c4c(N)nc(N)nc4NC[C@H]3C2)cc(OC)c1OC	13762712	DUKSWTDASFETGZ-CMPLNLGQSA-N	386.456	1.702	10	1	GDCF	
C[C@H](Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)OS(=O)(=O)O	148939427	IUIHVMPMIYIDLY-SSDOTTSWSA-N	394.357	1.329	10	1	GDCF	
C=C1C(=O)OC2=C1C[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5	100665358	QTMBORSBMGILGD-CISPJPAASA-N	393.439	1.933	10	1	GDCF	
CSCC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	169295587	IJYFMNFZBZDEML-CUYVQJCZSA-N	392.477	1.623	10	1	GDCF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccccc3O)[C@H]12	95581392	CPBGWKQZYUOEFS-UWVGGRQHSA-N	375.391	1.357	10	1	GDCF	
C[C@@]1(Br)C(=O)N=C(O)N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)[C@H]1N=[N+]=[N-]	27429164	IMNYUQITPPIELN-BLICNDNGSA-N	389.170	1.319	10	1	GDCF	
C[C@]1(Br)C(=O)NC(=O)N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)[C@@H]1N=[N+]=[N-]	254131982	IMNYUQITPPIELN-NDMSHEEUSA-N	389.170	1.114	10	1	GDCF	
CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCCNC(C)=O	8300207	IRNAAFLLLKKRAJ-IRXDYDNUSA-N	391.512	1.891	10	1	GDCF	biogenic
COc1cc(-c2cc(=O)c3c(O)c(O)c(OS(=O)(=O)O)cc3o2)ccc1O	14760696	CWSOZWHESKRJLP-UHFFFAOYSA-N	396.329	1.767	10	1	GDCF	biogenic
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCCCO)O2)c(=O)[nH]c1=O	26824508	YXHFTLLFGHXAQZ-UPJWGTAASA-N	397.388	1.127	10	1	GDCF	
C[C@H](O)CCC[C@@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	6020598	GGNDESPZSKTNHV-QPUJVOFHSA-N	388.372	1.869	10	1	GDCF	biogenic
COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc1ccc(N2CCN(C)CC2)cc1	8679901	KZAWBAONFXVOLN-PMXSJFBMSA-N	387.524	1.715	10	3	GDCF	
CC=C1CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@H]2C[C@@]2(c4cc(OC)ccc4N(C)[C@@H]32)[C@H]1O	2356614631	BHMFSCOVSFQYAV-DBLLXSMZSA-N	396.487	1.708	10	1	GDCF