smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccc2c3c(cc(-c4cccc(O)c4O)nc13)-c1ccccc1C2=O	587102249	UIIYTAPGCNXZSP-UHFFFAOYSA-N	353.377	4.833	10	1	FJCF	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	101648936	DNBJCVYANBEAGR-IGCXYCKISA-N	370.792	4.773	10	1	FJCF	
CC(C)(N=[N+]=[N-])[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587339397	TZWGGXZSUHCKKB-VQIMIIECSA-N	355.369	4.738	10	1	FJCF	
[N-]=[N+]=NCCCCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	587259225	BAJUYMBTDBDNJK-UHFFFAOYSA-N	373.416	4.752	10	1	FJCF	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CC2CC2)c2ccccc12	653919239	CVLNNMICELDTNB-FYJGNVAPSA-N	355.441	4.857	10	1	FJCF	
O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)c1ccc(Br)cc1	617960134	ANCCJRWKBSFXGK-UHFFFAOYSA-N	362.158	4.699	10	1	FJCF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cl)c2O)N1	587694676	PYAXULSLLFGQKH-VXJOIVPMSA-N	370.649	4.571	10	1	FJCF	
COc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Cl)ccc3O)C2)cc1	4729371	GDANHHYAQPQEOV-AZUAARDMSA-N	358.869	4.560	10	1	FJCF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2O)N1	587698470	QIRZTTVKOCRDPW-VPTHRUTESA-N	370.649	4.571	10	1	FJCF	
COc1cc(C)c(-c2ccc(O)c3c2C[C@@H](C)N[C@H]3C)c2cccc(O)c12	6484427	NALOMJPIDNQZKW-KGLIPLIRSA-N	363.457	4.830	10	1	FJCF	biogenic
O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccccc2Cl)[nH]n1	100703035	YQHGXQWZBIGJTM-WCWDXBQESA-N	365.780	4.841	10	1	FJCF	
Cc1cc(C2=NN(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)ccc1O	103283064	BDPSDLDCBLWPFT-NRFANRHFSA-N	373.412	4.965	10	1	FJCF	
Cc1ccc(Nc2nc(-c3cc(O)c(O)c(O)c3)nc3ccccc23)c(C)c1	58592414	MDJTWXQTWAMHBY-UHFFFAOYSA-N	373.412	4.774	10	1	FJCF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2O)N1	587704120	SICIDBMECWYVAM-BCTVWOGZSA-N	370.649	4.571	10	1	FJCF	
COc1cc(C)c(-c2ccc3c(c2O)[C@H](C)N[C@H](C)C3)c2cccc(O)c12	15121558	PBUONONRMDRRLQ-KGLIPLIRSA-N	363.457	4.830	10	1	FJCF	biogenic
COc1cc2c(/C=C3/C(=O)Nc4ccccc43)c(Cl)n(C)c2cc1C	28655903	NXLTYOPTPSNPPB-OQLLNIDSSA-N	352.821	4.641	10	1	FJCF	
Oc1ccccc1[C@H]1CC(c2cccs2)=N[C@@H](c2ccc(F)cc2)N1	20763503	FLFYYHXWDWKXRS-UZLBHIALSA-N	352.434	4.815	10	1	FJCF	
CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc12	2494885	ADVCIZOEAUOFCD-UHFFFAOYSA-N	367.445	4.750	10	1	FJCF	
O=C(O)c1ccc(/N=N\c2c(O)[nH]c3ccc(Br)cc23)cc1	13120297	RUFMFHAMRBSSDI-HNENSFHCSA-N	360.167	4.750	10	1	FJCF	
NCC(CN)CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26752275	TVCGWPPDVTTWRW-UHFFFAOYSA-N	370.500	4.598	10	1	FJCF	
Cc1cc(O)c(O)c(Cc2ccc([C@@](C)(O)CCCC(C)C)c(O)c2)c1	2356788915	CQOPYNXJCNLSMM-QFIPXVFZSA-N	358.478	4.736	10	1	FJCF	
Cc1cccc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1	587390937	SOBIWWBAPUNJKQ-QFIPXVFZSA-N	360.457	5.000	10	1	FJCF	
COc1ccc2c(c1)c(CCN)c(C)n2Cc1ccc(Cl)c(Cl)c1	653786031	XSQUWDQBYRDSLI-UHFFFAOYSA-N	363.288	4.815	10	1	FJCF	
COc1ccc(-n2cc(-c3ccco3)c3c2C(=O)c2ccccc2C3=O)cc1	1857760800	QOUDNWKIMIIMNG-UHFFFAOYSA-N	369.376	4.521	10	1	FJCF	
CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1/N=N\C(=O)c1ccccc1	13110958	CTNQJSCSMAOUCZ-IZHYLOQSSA-N	372.428	4.974	10	1	FJCF	
COc1cc(C)cc2c(-c3ccc4c(c3O)[C@H](C)N[C@@H](C)C4)ccc(O)c12	15121577	ZTVGDICRDKHNSL-KBPBESRZSA-N	363.457	4.830	10	1	FJCF	biogenic
COc1cc(C)cc2c(-c3ccc(O)c4c3C[C@@H](C)N[C@H]4C)ccc(O)c12	2356708420	PETBTVKZGRITLO-KGLIPLIRSA-N	363.457	4.830	10	1	FJCF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2O)N1	587704123	SICIDBMECWYVAM-ZKANADHPSA-N	370.649	4.571	10	1	FJCF	
C[C@@H](Oc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)C(=O)O	26941017	VJMLHHBJIAIQLB-CQSZACIVSA-N	358.397	4.984	10	1	FJCF	
CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1Cc1cc(O)c(O)c(C=O)c1O	140292865	SKKQYRZGBKHKPE-SGXKBVARSA-N	358.478	4.957	10	1	FJCF	
Oc1ccc2ccccc2c1[C@@H](c1cccs1)n1nnc2ccccc21	653711546	RDCAZFQPXOYKIB-OAQYLSRUSA-N	357.438	4.989	10	1	FJCF	
O=C(c1ccccc1NCc1ccc2[nH]ncc2c1)c1c[nH]c2ccccc12	40401925	KBOVRIYNPJDICO-UHFFFAOYSA-N	366.424	4.887	10	1	FJCF	
CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@@H](C(C)C)N2)c1O	4729264	ZWMJBHVHXABDMU-SIKLNZKXSA-N	352.478	4.605	10	1	FJCF	
CSc1cccc(-n2c(C)cc(-c3csc(CC(N)=S)n3)c2C)c1	587924309	QZUWNZAIADBRIZ-UHFFFAOYSA-N	373.572	4.768	10	1	FJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C)c3[nH]1)[C@@H]1CC=C[C@@H]21	587275593	DWDADBFDMCRKIH-SXGZJXTBSA-N	360.417	4.914	10	1	FJCF	
O=C(OCCCCCCCCc1ccccc1)c1cc(O)c(O)c(O)c1	13513675	QDNJMKNAVWYFAH-UHFFFAOYSA-N	358.434	4.544	10	1	FJCF	
NC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2oc3ccccc3c12	72175529	GAAYFQCPLOOMKH-LJQANCHMSA-N	366.804	4.703	10	1	FJCF	
Cc1ccc(N=Nc2c(C)[nH]n(-c3ccccc3)c2=O)cc1Br	299849290	FIOXXJHQUXTNTR-UHFFFAOYSA-N	371.238	4.960	10	1	FJCF	
Oc1c([C@@H](Nc2ccccn2)c2ccc(F)cc2F)ccc2cccnc12	202336798	SHNFUCKZPNTQET-FQEVSTJZSA-N	363.367	4.815	10	1	FJCF	
COc1c(F)ccc(F)c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	587133417	WAGBIPLKUSVUDS-UHFFFAOYSA-N	367.355	4.891	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(-c4cc(F)cc([N+](=O)[O-])c4)[nH]c3c2)cc1	587160522	UXXBKKOINQWZKI-UHFFFAOYSA-N	364.336	4.652	10	1	FJCF	
COc1cccc(C/N=N/c2ncnc3c2[nH]c2ccc(C)cc23)c1OC	169688617	UMQPUSPEIYWAEX-WJTDDFOZSA-N	361.405	4.721	10	1	FJCF	
COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccccc4C)c1C)[C@@H](C2)C3=O	587432650	YDUWRHNMZDOARV-YADARESESA-N	373.452	4.900	10	1	FJCF	
COc1cc(C)cc2ccc(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)C4)c(O)c12	5849399	UOMMAZXPQFOUSU-ZIAGYGMSSA-N	363.457	4.830	10	1	FJCF	biogenic,in-vitro
O=C1c2ccccc2C(=O)c2c1cc(Sc1ccccc1)c1nsnc21	27530844	GMADXSLRWIFEEL-UHFFFAOYSA-N	374.446	4.618	10	1	FJCF	
Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccco2)C1	40866109	SLPNKONWQMCAOD-QGZVFWFLSA-N	363.442	4.533	10	1	FJCF	
COc1cccc(CNc2ccccc2C(=O)c2ccc(Cl)cc2)c1O	1857756403	UXISMXLVONARKO-UHFFFAOYSA-N	367.832	4.897	10	1	FJCF	
CCCCN[C@@H](c1ccccc1O)[C@H](NCCCC)c1ccccc1O	27896688	NFHRPZIDRGLOPP-SZPZYZBQSA-N	356.510	4.660	10	1	FJCF	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(Br)c(C)c1	73296134	DUABPBDFSQYQAF-ZBBYCGENSA-N	371.238	4.633	10	1	FJCF	
Cc1ccc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1	587391311	UWLUDZLNSPVDBC-JOCHJYFZSA-N	360.457	5.000	10	1	FJCF	
O=C1CCCN1[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc12	1772651777	YBFGCQVDGZDAOC-NRFANRHFSA-N	351.833	4.911	10	1	FJCF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2O)N1	587704793	VQZJEIAEHDUZIV-BCTVWOGZSA-N	370.649	4.571	10	1	FJCF	
COc1ccc(N(Cc2ccc(C)cc2)Cc2ccc(OC)c(O)c2)cc1	103278859	SGSKFSTWXGNQCZ-UHFFFAOYSA-N	363.457	4.925	10	1	FJCF	
CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc(Cl)cc(Cl)c1O	95561659	WYRDVJBRKLNIFY-INIZCTEOSA-N	367.207	4.536	10	1	FJCF	
Cn1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C(F)(F)F)c1	587115640	TXPQGRSJOMVXHM-UHFFFAOYSA-N	372.350	4.962	10	1	FJCF	
C[C@@H]1CC(=O)c2c3c(n(CCc4ccccc4)c2C1)-c1ccccc1C3=O	113431014	ZVASCVRKMXOAJR-HNNXBMFYSA-N	355.437	4.707	10	1	FJCF	
COC(=O)c1cc(O)c(O)c2c1[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@H]1C2	13437249	FFBLMLRQAKGTJN-IEGYKGNPSA-N	372.505	4.941	10	1	FJCF	biogenic
CN(C)c1ccc(-c2cc3cc(I)ccc3[nH]2)cc1	53296877	SSEFXRFRRGQZCA-UHFFFAOYSA-N	362.214	4.506	10	1	FJCF	
Cc1cccc2c(Nc3ccc(OCC(=O)O)cc3)c3ccccc3nc12	169322377	ATZYCGVPOQBQCM-UHFFFAOYSA-N	358.397	4.903	10	1	FJCF	
COc1cccc2cc3c(nc12)[C@](C)(c1cc2ccccc2cc1O)NCC3	963034067	LKOMAPMJOBPNAL-DEOSSOPVSA-N	370.452	4.511	10	1	FJCF	
COc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	4729375	GDANHHYAQPQEOV-UYAOXDASSA-N	358.869	4.560	10	1	FJCF	
CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3)C2)cc1	96172828	DRLLCHMQGIJADE-MRXNPFEDSA-N	365.473	4.578	10	1	FJCF	
COc1cc2c(/C=C3/C(=O)N(C)c4ccccc43)c(Cl)[nH]c2cc1C	1864220	VEPNCWKOLANJBP-OQLLNIDSSA-N	352.821	4.655	10	1	FJCF	
Nc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1	36271628	VTGWHEQVLMWYAW-ZEQRLZLVSA-N	372.512	4.738	10	1	FJCF	
Cc1ccc2ccc([C@@H](Nc3cccnc3)c3ccccc3F)c(O)c2n1	1772611636	LDBIBVKWCXIKRB-NRFANRHFSA-N	359.404	4.984	10	1	FJCF	
COc1cc(C)cc2c(-c3ccc(O)c4c3C[C@H](C)N[C@@H]4C)ccc(O)c12	2356708421	PETBTVKZGRITLO-UONOGXRCSA-N	363.457	4.830	10	1	FJCF	
Cn1cccc1CN1CCc2sccc2[C@]1(C)c1cccc(Cl)c1O	962398945	OJUZGMCCVLYXTI-HXUWFJFHSA-N	372.921	4.767	10	1	FJCF	
Oc1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=S)Nc1ccccc1	6423135	QGAFXISBHOBDAE-FQEVSTJZSA-N	373.481	4.940	10	1	FJCF	
O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2ccccc2Cl)[nH]n1	617989187	YQHGXQWZBIGJTM-UHFFFAOYSA-N	365.780	4.841	10	1	FJCF	
OCc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1	587077900	BUTCSDGLFDTRJZ-KSMMKXTCSA-N	351.837	4.535	10	1	FJCF	
COc1cc2c(cc1C)NC(=O)/C2=C/c1c(Cl)n(C)c2ccccc12	5596551	YQMSWYTVZQBFDJ-OQLLNIDSSA-N	352.821	4.641	10	1	FJCF	
O=C(NCc1ccc(N2CCCCC2)cc1)Nc1cccc2cnccc12	14973415	YTCMLQFVGGJIGZ-UHFFFAOYSA-N	360.461	4.547	10	1	FJCF	
CC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1	26953237	IKPUIEPKAQVINR-UHFFFAOYSA-N	357.413	4.582	10	1	FJCF	
COc1cccc2cc(C)c(-c3ccc4c(c3O)[C@H](C)N[C@H](C)C4)c(O)c12	15121586	BLXBQYFTXJFAFN-KGLIPLIRSA-N	363.457	4.830	10	1	FJCF	biogenic
CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1/N=N/C(=O)c1ccccc1	101842412	CTNQJSCSMAOUCZ-OCOZRVBESA-N	372.428	4.974	10	1	FJCF	
CN(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1	142691594	UEYZFAHSORUDCD-JWGURIENSA-N	354.453	4.840	10	1	FJCF	
O=C(Oc1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1	96937652	UJKGEFXFFCFHGA-FQEVSTJZSA-N	358.397	4.742	10	1	FJCF	
COc1ccc(/C=C2\SC(c3ccc(Br)cc3)=NC2=O)cc1	84651918	GYVUTWJLZBIQKO-GDNBJRDFSA-N	374.259	4.519	10	1	FJCF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2O)N1	587698469	QIRZTTVKOCRDPW-PWJLMRLQSA-N	370.649	4.571	10	1	FJCF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2O)N1	587696702	LWVGEMMYRSHNJJ-ZKANADHPSA-N	370.649	4.571	10	1	FJCF	
Cc1cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C	587820971	GEYBCGUEPBMNIY-BBATYDOGSA-N	364.258	4.534	10	1	FJCF	
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NNc3ccccc3)c2c1	5581258	WGFIQRJRSMXFIZ-UHFFFAOYSA-N	360.373	4.744	10	1	FJCF	
O=C(Cc1cccs1)/N=N\c1c(O)[nH]c2ccc(Br)cc12	102663516	YGYNYYFRFIDTLV-ZCXUNETKSA-N	364.224	4.551	10	1	FJCF	
CN1C(=O)/C(=C/c2nc(-c3ccccc3F)n3ccccc23)c2ccccc21	72109890	ZKJXLEQQCWSIIK-SAPNQHFASA-N	369.399	4.657	10	1	FJCF	
O=C(O)c1cc(N=Nc2c(O)[nH]c3ccc([N+](=O)[O-])cc23)ccc1Cl	253979575	ZENDWTIXHYRPST-UHFFFAOYSA-N	360.713	4.549	10	1	FJCF	
Oc1ccc2ncccc2c1[C@@H]1NCCc2cccc(-c3ccccc3)c21	962659178	FVLQZVGHOSYEFV-XMMPIXPASA-N	352.437	4.843	10	1	FJCF	
COc1ccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(F)c1	587148431	HJCFKHUQOOYWGL-UHFFFAOYSA-N	363.392	4.676	10	1	FJCF	
O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccc(Cl)s2)[nH]n1	103961976	MZFSEGYAHWBIHV-QURGRASLSA-N	371.809	4.903	10	1	FJCF	
NCCc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1	26941050	IEPZPHDYHPBFCT-UHFFFAOYSA-N	358.401	4.541	10	1	FJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccccc3C)c1C)O2	587391785	YXJIDFTYIIDJIE-JOCHJYFZSA-N	360.457	5.000	10	1	FJCF	
O=C(O)[C@@H]1Nc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2[C@@H]2C=CC[C@H]12	587212547	SQWGTMPFDJJPOL-SAHWJRBASA-N	368.436	4.539	10	1	FJCF	
Oc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccco3)C2)cc1	45339450	VXSMJDNZJRHNMY-GOSISDBHSA-N	363.442	4.533	10	1	FJCF	
COc1cc2c(/C=C3/C(=O)N(C)c4ccccc43)c(Cl)n(C)c2cc1C	58568921	ZJPOGUVCETZWAY-MHWRWJLKSA-N	366.848	4.666	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(-c4ccccc4/C=C/C(=O)O)[nH]c3c2)cc1	586878283	CAJXBJBFCBNLDX-LFYBBSHMSA-N	371.396	4.702	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(-c4ccc(Cl)nc4F)[nH]c3c2)cc1	587177609	QDSCMKDIZICPHP-UHFFFAOYSA-N	354.772	4.792	10	1	FJCF	
Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12	27570026	CAHUZYYLADXTHI-UHFFFAOYSA-N	362.473	4.643	10	3	FJCF	
CCc1ccc(CC)n1-c1cc(C(=O)OC)c(Br)cc1Cl	587937120	OMESKZSSGFIYOZ-UHFFFAOYSA-N	370.674	4.805	10	1	FJCF	
CCCc1c(O)ccc2c1O[C@](C)(CSc1ncc(C)s1)CC2=O	587495166	NQCLXGMPOCNJAC-SFHVURJKSA-N	363.504	4.626	10	1	FJCF	
COc1cc2c(/C=C3/C(=O)Nc4ccc(F)cc43)c(Cl)n(C)c2cc1C	28655912	NZOFFEYNWIPCFH-OVCLIPMQSA-N	370.811	4.781	10	1	FJCF	
Cc1cc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)c(O)c2c1CCC2	963119691	HIHCUNIHEPVZSK-FQEVSTJZSA-N	362.300	4.905	10	1	FJCF	
O=C1CCCN1[C@H](c1ccccc1Cl)c1c(O)ccc2ccccc12	1772651778	YBFGCQVDGZDAOC-OAQYLSRUSA-N	351.833	4.911	10	1	FJCF	
Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1cccc(Cl)c1O	962398944	OJUZGMCCVLYXTI-FQEVSTJZSA-N	372.921	4.767	10	1	FJCF	
NCCNCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26752417	UXKBPTLTJXPMBJ-UHFFFAOYSA-N	370.500	4.613	10	1	FJCF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2O)N1	587698472	QIRZTTVKOCRDPW-ZKANADHPSA-N	370.649	4.571	10	1	FJCF	
CC(C)(C)n1cc(-c2ccc(Oc3ccc(N)cc3)cc2)c2c(N)ncnc21	26276840	QJSJCFHSACXKCC-UHFFFAOYSA-N	373.460	4.810	10	1	FJCF	
Cc1ccc(-c2nc3c(NCc4ccc(N(C)C)cc4)nccc3[nH]2)cc1	82084101	FSXKMSSETOEYEJ-UHFFFAOYSA-N	357.461	4.611	10	1	FJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(F)c3[nH]1)[C@H]1CC=C[C@@H]21	587276329	KPFUAIAAHZZMFS-VBHSOAQHSA-N	364.380	4.745	10	1	FJCF	
COc1cccc2cc3c(nc12)[C@@](C)(c1cc2ccccc2cc1O)NCC3	963034070	LKOMAPMJOBPNAL-XMMPIXPASA-N	370.452	4.511	10	1	FJCF	
CCOC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3	756760	UFQZISSKZCGRDZ-UHFFFAOYSA-N	358.488	4.663	10	1	FJCF	
COc1ccc2[nH]c(Cl)c(/C=C3/C(=O)Nc4cc(C)c(OC)cc43)c2c1	6019197	FBUJSIPNYSGTNE-OVCLIPMQSA-N	368.820	4.640	10	1	FJCF	
CC1=C/C(=C2\C(=O)N(c3ccccc3)N=C2C)OC(=O)N1c1ccc(C)cc1	29060973	FMLLIDIVMXLEHB-FMQUCBEESA-N	373.412	4.532	10	1	FJCF	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(Br)c(C)c1	102948812	DUABPBDFSQYQAF-QBNCKDSPSA-N	371.238	4.633	10	1	FJCF	
C[C@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]12Cc1cc(O)c(O)c(C=O)c1O2	238758363	XLFVUGGPQIMDHU-UFOSLMCYSA-N	358.478	4.847	10	1	FJCF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2O)N1	587698467	QIRZTTVKOCRDPW-BCTVWOGZSA-N	370.649	4.571	10	1	FJCF	
COc1cc2c(cc1OC)C[C@@H](N=[N+]=[N-])c1cc(OC)c(OC)cc1/C=C/2	104762541	ORIWKZIIDDFSKY-SQRWCISFSA-N	367.405	4.799	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(C45CCC(CO)(CC4)CC5)[nH]c3c2)cc1	586895644	RGYOJKSTWNKUPN-UHFFFAOYSA-N	363.461	4.522	10	1	FJCF	
Oc1cc2c(cc1O)[C@@H]1c3cc(C4CCCCC4)sc3CN[C@H]1CC2	13762034	AWCWQIFJWRNJCA-HRAATJIYSA-N	355.503	4.757	10	1	FJCF	
O=[N+]([O-])c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1	587081086	RLCALTCTFNOOPK-JCGVRSQUSA-N	366.808	4.951	10	1	FJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(F)cc3)c1C)O2	587385797	VEPIEEHTJZVAON-NRFANRHFSA-N	364.420	4.830	10	1	FJCF	
COc1cccc(-n2cnc3cc(NCc4ccccc4OC)ccc32)c1	200654467	IBMUACMRSIQPLR-UHFFFAOYSA-N	359.429	4.655	10	1	FJCF	
Cc1cc(Br)cc2c(/N=N/C(=O)c3ccc(O)cc3)c(O)[nH]c12	103973529	UDXHHJCJLANCTG-FMQUCBEESA-N	374.194	4.574	10	1	FJCF	
COC(=O)CCCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587922905	YOLFRWPXRIDBEP-UHFFFAOYSA-N	372.465	4.852	10	1	FJCF	
Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1	587276021	HYPPUZMVJUJEOX-AUSJPIAWSA-N	360.417	4.914	10	1	FJCF	
CN(C)c1ccc(-c2cc3cc([125I])ccc3[nH]2)cc1	102083606	SSEFXRFRRGQZCA-QZIRHQCUSA-N	360.215	4.506	10	1	FJCF	
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	4131790	GHLCBQZUTBKNAD-MPGHIAIKSA-N	370.246	4.974	10	1	FJCF	
COc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1	96910223	OCJKEFFQAUMPTO-UHFFFAOYSA-N	358.485	4.684	10	1	FJCF	
CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)[nH]n2)cc1	653729328	PQUAJOCKEQCRGV-YDWXAUTNSA-N	358.489	4.883	10	1	FJCF	
Cc1ccc2oc(=O)c3c(oc4ccc(O)c(CN5CCCCC5)c43)c2c1	1772587925	DCDYMQNMYFUCPD-UHFFFAOYSA-N	363.413	4.692	10	1	FJCF	
O=C(COc1ccc(Cl)cc1Cl)N=Nc1c(O)[nH]c2ccccc12	617960102	IPYZIYVCXJTAPW-UHFFFAOYSA-N	364.188	4.870	10	1	FJCF	
C[C@@H](/N=N/c1ccc(Cl)c(C(=O)O)c1)c1ccc(N2CCOCC2)cc1	169691412	MJAUXWPFZBXVOC-VIQONRLZSA-N	373.840	4.720	10	1	FJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C)c3[nH]1)[C@H]1CC=C[C@H]21	587275587	DWDADBFDMCRKIH-AVYPCKFXSA-N	360.417	4.914	10	1	FJCF	
Cc1ccc2oc(/C=C/C=C3\Sc4ccc(F)cc4N3C)[n+](C)c2c1	169323907	FNKCSEAKELBRPB-UHFFFAOYSA-N	353.442	4.802	10	1	FJCF	
Cc1ccc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O	587822751	QVRBODFHRVANMY-PIGZYNQJSA-N	364.258	4.534	10	1	FJCF	
Cc1cc(Cl)cc([C@@H]2c3cccc(Br)c3CCN2C)c1O	963281621	TVJGJSSCAJKLSV-INIZCTEOSA-N	366.686	4.694	10	1	FJCF	
CCCCC[C@@H](NC)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12	84652607	NUPCRABGLYUOME-OAHLLOKOSA-N	367.445	4.712	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)cc1	586901025	GBXCEYAGZNIMPU-WIYYLYMNSA-N	357.413	4.506	10	1	FJCF	
COc1cc2c(cc1OC)[C@](C)(c1cc(C(C)C)ccc1O)N(C)[C@H](C)C2	962641210	ZLQYVKPYTZPDFI-IQMFZBJNSA-N	369.505	4.673	10	1	FJCF	
COc1cc(C)cc2c(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)C4)ccc(O)c12	15121578	ZTVGDICRDKHNSL-ZIAGYGMSSA-N	363.457	4.830	10	1	FJCF	biogenic
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)cc3[nH]1)[C@@H]1CC=C[C@H]21	587277242	RGMVJOINRGXYRY-KSMMKXTCSA-N	364.380	4.745	10	1	FJCF	
O=C(O)c1ccc(-c2ccc(C/N=N/c3ccc([N+](=O)[O-])cc3)o2)cc1	169689159	YLGUOXUMIOEZSP-FMQUCBEESA-N	351.318	4.837	10	1	FJCF	
O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cccs1	617960062	MRRGUVTUXMTGDV-UHFFFAOYSA-N	350.197	4.622	10	1	FJCF	
COc1cc(C)cc2c(-c3ccc4c(c3O)[C@H](C)N[C@H](C)C4)ccc(O)c12	15121576	ZTVGDICRDKHNSL-KGLIPLIRSA-N	363.457	4.830	10	1	FJCF	biogenic
C[C@]1(c2c(O)ccc3cc(O)ccc23)c2ccc(F)cc2C[C@@H]2CCCN21	963112190	WZNDFFFCRCXYLF-GAJHUEQPSA-N	363.432	4.674	10	1	FJCF	
CC(=O)C[C@H](C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3)C2)cc1	96172827	DRLLCHMQGIJADE-INIZCTEOSA-N	365.473	4.578	10	1	FJCF	
Cc1ccc2c3c(cc(-c4ccc(O)c(O)c4)nc13)-c1ccccc1C2=O	587100513	BDDFLKYBEABEIG-UHFFFAOYSA-N	353.377	4.833	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(-c4cc(F)cc(F)c4O)[nH]c3c2)cc1	587133877	GFOCHESWCPWRNZ-UHFFFAOYSA-N	353.328	4.588	10	1	FJCF	
Cc1cc(-c2csc(C3CCNCC3)n2)c(C)n1-c1ccccc1F	587921990	GGSPBGNUCJHMLI-UHFFFAOYSA-N	355.482	4.824	10	1	FJCF	
COc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Cl)ccc3O)C2)cc1	4729370	GDANHHYAQPQEOV-ICSRJNTNSA-N	358.869	4.560	10	1	FJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)cc3[nH]1)[C@@H]1CC=C[C@@H]21	587277243	RGMVJOINRGXYRY-LPMFXHHGSA-N	364.380	4.745	10	1	FJCF	
Oc1ccc2oc3c4ccc(F)cc4nc(O)c3c2c1CN1CCCCC1	2382243124	MARYLOXRKUQAPC-UHFFFAOYSA-N	366.392	4.670	10	1	FJCF	
Cc1ccc(C)n1-c1ccc(-c2ccc(/C=C/C(=O)O)cc2)c(C(=O)O)c1	45393596	LAEBYYZZAGMFCM-KPKJPENVSA-N	361.397	4.557	10	1	FJCF	
COc1cc([C@@H]2c3cccc(N)c3N[C@H](c3ccccc3)[C@H]2C)ccc1O	96913166	YNKPXBYKHSVHEM-CUJSYCCXSA-N	360.457	4.918	10	1	FJCF	
[N-]=[N+]=NCc1ccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)cc1	169322394	SWJNOGQRFKMORZ-UHFFFAOYSA-N	359.389	4.647	10	1	FJCF	
O=C(O)[C@H]1Nc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2[C@H]2C=CC[C@@H]12	587212545	SQWGTMPFDJJPOL-MFEFFIJZSA-N	368.436	4.539	10	1	FJCF	
CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@H](C(C)C)N2)c1O	4729261	ZWMJBHVHXABDMU-UGKGYDQZSA-N	352.478	4.605	10	1	FJCF	
CCCCOc1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3	3204216	OTTGWRLXSPOWBW-UHFFFAOYSA-N	372.218	4.981	10	1	FJCF	
Cc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)[nH]n2)s1	103961946	WOVJPZLNAMFTRY-QURGRASLSA-N	351.391	4.558	10	1	FJCF	
Cc1ccc(/N=N/c2cc(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1	197888225	WPHINPCHYVNTBW-FMQUCBEESA-N	370.386	4.509	10	1	FJCF	
Cc1cc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)c(O)c2c1CCC2	963119693	HIHCUNIHEPVZSK-HXUWFJFHSA-N	362.300	4.905	10	1	FJCF	
O=C(O)c1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12	587078657	YNWVZLRKYJMPCD-IUUKEHGRSA-N	365.820	4.741	10	1	FJCF	
CC(C)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O	29135661	BPCUAEBLJFPRKL-UHFFFAOYSA-N	364.397	4.950	10	1	FJCF	
Cc1c(F)ccc2c1[C@@H](c1c(C)n(C)c3ccc(OC(C)C)cc13)NCC2	962092154	LVDIDPRIKNLGBU-QHCPKHFHSA-N	366.480	4.957	10	1	FJCF	
Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccc(N)cc1	28640555	FFKYDQSCDUWEEE-UHFFFAOYSA-N	373.283	4.685	10	1	FJCF	
COc1ccc2c(c1)/C(=C\c1c(Cl)[nH]c3cc(C)c(OC)cc13)C(=O)N2	1864217	JARQRNKMCPAXLT-OVCLIPMQSA-N	368.820	4.640	10	1	FJCF	
Oc1ccc2nc(-c3cccc(F)c3F)[nH]c2c1CNCc1cccs1	84604832	ZWEBWLOUGLXDPI-UHFFFAOYSA-N	371.412	4.565	10	1	FJCF	
CCCCCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2	13762010	RPOAEKBVMRYCPD-PXNSSMCTSA-N	357.519	4.832	10	1	FJCF	
COc1cccc2c(NCc3nc4ccccc4[nH]3)c3ccccc3nc12	212325123	GHHUGVLTXXFULJ-UHFFFAOYSA-N	354.413	4.885	10	1	FJCF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cccc2Cl)N1	587692318	KELUTGPBHCSCBX-ZKANADHPSA-N	370.649	4.571	10	1	FJCF	
CCOC(=O)Cc1csc(/N=N/Cc2ccc(C(F)(F)F)cc2)n1	169693785	SPQCJBGNNJMTOT-XUTLUUPISA-N	357.357	4.551	10	1	FJCF	
CC(C)C[C@]1(CCO)C[C@H](CN=[N+]=[N-])ON1Cc1ccc2ccccc2c1	49020429	ZYFUGIKJSBBBQC-NHCUHLMSSA-N	368.481	4.823	10	1	FJCF	
O=C(O)c1cc(/N=N\c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)ccc1Cl	13122374	ZENDWTIXHYRPST-HNENSFHCSA-N	360.713	4.549	10	1	FJCF	
O=C1CCCc2c1c1c(n2CCCc2ccccc2)-c2ccccc2C1=O	73296000	JCCWMVJVFGZDBV-UHFFFAOYSA-N	355.437	4.851	10	1	FJCF	
CS(=O)(=O)Nc1cccc(Nc2c3ccccc3nc3ccccc23)c1	5138694	FMTRURHFZFQCAU-UHFFFAOYSA-N	363.442	4.503	10	1	FJCF	
Oc1ccc2ccccc2c1[C@H](c1cccs1)n1nnc2ccccc21	653711540	RDCAZFQPXOYKIB-NRFANRHFSA-N	357.438	4.989	10	1	FJCF	
Cc1ccc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O	587822749	QVRBODFHRVANMY-DIFFPNOSSA-N	364.258	4.534	10	1	FJCF	
C[C@@H]1CCCN(Cc2c(O)ccc3oc4c5ccccc5oc(=O)c4c23)C1	1857603865	XYSWUWMAPXGESX-CYBMUJFWSA-N	363.413	4.630	10	1	FJCF	
CCN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	42989613	LXMBBFMKKSPIBR-HXUWFJFHSA-N	373.452	4.613	10	1	FJCF	in-vitro
COc1ccc2c(c1)[C@]1(CC(=O)CC[C@@H]1CCCN=[N+]=[N-])N(C(C)C)CC2	962096854	ZZLWFFYIXFIXPR-LAUBAEHRSA-N	370.497	4.617	10	1	FJCF	
COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(C)cc4)c1C)[C@@H](C2)C3=O	587429707	CMQHOWAAVYVRPY-GBXCKJPGSA-N	373.452	4.900	10	1	FJCF	
[O-]/[N+](c1ccc(Br)cc1)=[N+](/[O-])c1ccc(Br)cc1	169391157	SJDLUMBUMZLHMX-FOCLMDBBSA-N	372.016	4.648	10	1	FJCF	
Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1	587276022	HYPPUZMVJUJEOX-BXTJHSDWSA-N	360.417	4.914	10	1	FJCF	
COc1c(CC=C(C)C)c(O)cc2c1-c1oc3cc(O)c(O)cc3c1CO2	238768269	TWMGHANAODNTIV-UHFFFAOYSA-N	368.385	4.626	10	1	FJCF	
Cc1ccc2[nH]c(O)c(N=NC(=O)c3ccc(O)cc3)c2c1Br	617960143	GHSSFEPDLOMUIK-UHFFFAOYSA-N	374.194	4.574	10	1	FJCF	
Oc1ccccc1[C@@H]1CC(c2cccs2)=N[C@H](c2ccc(F)cc2)N1	20763508	FLFYYHXWDWKXRS-OXJNMPFZSA-N	352.434	4.815	10	1	FJCF	
C[C@H](/N=N/c1ccc(Cl)c(C(=O)O)c1)c1ccc(N2CCOCC2)cc1	169691413	MJAUXWPFZBXVOC-NVMIEIDBSA-N	373.840	4.720	10	1	FJCF	
COc1cc(C)c(-c2ccc3c(c2O)[C@H](C)N[C@@H](C)C3)c2cccc(O)c12	15121559	PBUONONRMDRRLQ-KBPBESRZSA-N	363.457	4.830	10	1	FJCF	biogenic
Cc1cccc(CN(Cc2ccc(O)cc2)C(=O)Nc2ccccc2)c1O	45339179	ADGFMMGNBWOIFL-UHFFFAOYSA-N	362.429	4.641	10	1	FJCF	
CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@@H](C(C)C)N2)c1O	4729265	ZWMJBHVHXABDMU-DENIHFKCSA-N	352.478	4.605	10	1	FJCF	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	169683002	DNBJCVYANBEAGR-XNJGSVPQSA-N	370.792	4.773	10	1	FJCF	
CN(C)CCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12	28755379	VMTKDJIJNBIEEJ-UHFFFAOYSA-N	366.465	4.830	10	1	FJCF	
CC(=O)Nc1ccc2c(Nc3ccc(C(=O)O)cc3)c3ccccc3nc2c1	26845625	AXXZQOBZAIIOTG-UHFFFAOYSA-N	371.396	4.788	10	1	FJCF	
Cc1cc2c(n1-c1cccc(-c3cccc(C(=O)O)n3)c1)CC(C)(C)CC2=O	587937055	GVDBMRYQMREWIT-UHFFFAOYSA-N	374.440	4.701	10	1	FJCF	
Cc1c(F)ccc2c1[C@H](c1c(C)n(C)c3ccc(OC(C)C)cc13)NCC2	962092151	LVDIDPRIKNLGBU-HSZRJFAPSA-N	366.480	4.957	10	1	FJCF	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)/C=C/c1cc(O)c(O)c(Cl)c1)C2	299833976	SJCXFZWGGNCCPI-KWJJZWPZSA-N	350.842	4.522	10	1	FJCF	
COc1cc(CCC(N)=O)ccc1Nc1c2ccccc2nc2ccccc12	5141163	KAEUFODLJIKBQI-UHFFFAOYSA-N	371.440	4.558	10	1	FJCF	
CCC(=O)N[C@H](c1ccc(C)s1)c1cc(Cl)c2cccnc2c1O	38141985	WLBWBBLRMIYHBP-INIZCTEOSA-N	360.866	4.579	10	1	FJCF	
CN1/C(=C/C=C/c2sc3ccccc3[n+]2C)Sc2ccc(F)cc21	169323918	FOTGCPUEJLQVRX-UHFFFAOYSA-N	355.483	4.962	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@@H]4Cc5cc(F)ccc5O4)[nH]c3c2)cc1	587173832	JYPMENGRTJVDIC-FQEVSTJZSA-N	361.376	4.753	10	1	FJCF	
COc1cc(C)cc2c(-c3ccc(O)c4c3C[C@@H](C)N[C@@H]4C)ccc(O)c12	95485881	PETBTVKZGRITLO-ZIAGYGMSSA-N	363.457	4.830	10	1	FJCF	biogenic,in-vitro
Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc4cn[nH]c4cc3[nH]1)N2	587081459	WYBDBUVBFOYIEF-QUJCMNEKSA-N	361.836	4.919	10	1	FJCF	
Cc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1	587391312	UWLUDZLNSPVDBC-QFIPXVFZSA-N	360.457	5.000	10	1	FJCF	
C[C@@]1(c2cc(F)cc(F)c2O)NCCc2cccc(-c3ccccc3)c21	962666591	NCXQNXRCDWFVOD-QFIPXVFZSA-N	351.396	4.747	10	1	FJCF	
Cc1cccc2c3c(n(CCCOc4ccc(Cl)cc4)c12)CNCC3	1857535293	KITYPAFUBRMMCV-UHFFFAOYSA-N	354.881	4.718	10	1	FJCF	
Brc1ccccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1	103189381	ZRWJAFJBNFRVNH-UHFFFAOYSA-N	366.218	4.957	10	1	FJCF	
O=C(c1ccccc1)c1c(-c2ccccc2)nnc2c1C(=O)c1ccccc1-2	13743543	KPMDWNXUFXMQPN-UHFFFAOYSA-N	362.388	4.586	10	1	FJCF	
COc1cc2c(O)c(-c3ccc4c(c3O)[C@H](C)N[C@@H](C)C4)ccc2cc1C	2356708693	YUXLLXSPQDDOEE-KBPBESRZSA-N	363.457	4.830	10	1	FJCF	
Cc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C	587822834	RKEUMHVDBGMGNJ-ZMZPIMSZSA-N	364.258	4.534	10	1	FJCF	
O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cccs1	103960810	MRRGUVTUXMTGDV-WUKNDPDISA-N	350.197	4.622	10	1	FJCF	
CCC(=O)N[C@@H](c1cccc(C)c1)c1cc(Cl)c2cccnc2c1O	36380520	HEYSFCDILHYPPF-SFHVURJKSA-N	354.837	4.518	10	1	FJCF	
COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(N)n3)c2c1	72140977	FCVGXFKJUMWYAK-UHFFFAOYSA-N	350.809	4.771	10	1	FJCF	
Cc1cc(-c2csc(-c3cnn(C)c3)n2)c(C)n1-c1ccccc1F	587922057	IJPHLENOTNKOBE-UHFFFAOYSA-N	352.438	4.757	10	1	FJCF	
CCN(CC)CCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12	13554544	FZCGXILNOXYREX-UHFFFAOYSA-N	357.885	4.804	10	1	FJCF	
COc1ccc2nc3ccccc3c(NCc3nc4ccccc4[nH]3)c2c1	212434811	OGVBTSCHWDLTPZ-UHFFFAOYSA-N	354.413	4.885	10	1	FJCF	
C[C@@]1(c2c(O)ccc3cc(O)ccc23)c2ccc(F)cc2C[C@H]2CCCN21	963112203	WZNDFFFCRCXYLF-HXOBKFHXSA-N	363.432	4.674	10	1	FJCF	
CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)CC)cc3)C2)cc1	96173000	YOWQUNGQBCQVOI-QGZVFWFLSA-N	367.489	4.826	10	1	FJCF	
Cc1cc2c(n1-c1cc(F)c(Br)cc1F)CC(C)(C)CC2=O	389501830	WOYLNVHDPMCQEJ-UHFFFAOYSA-N	368.221	4.982	10	1	FJCF	
CN(C)c1ccc(CN2CCC(N[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1	40892029	YIPNKKSJZLSJCZ-CKUXNOBLSA-N	369.597	4.521	10	1	FJCF	
O=C(O)CCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26941004	MACGUSJOINIBOU-UHFFFAOYSA-N	358.397	4.985	10	1	FJCF	
CN(C)c1ccc([C@H]2CC(c3ccccc3O)=NN2c2ccccc2)cc1	28528004	CMONTZKUDVIFBZ-JOCHJYFZSA-N	357.457	4.814	10	1	FJCF	
CC(C)=C1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O	653766980	UZSGDLOCSQUVOB-UHFFFAOYSA-N	361.228	4.625	10	1	FJCF	
COc1cc(CC(=O)O)ccc1Nc1c2ccccc2nc2ccccc12	31440082	BKOAXYHGYGRDPS-UHFFFAOYSA-N	358.397	4.767	10	1	FJCF	
Nc1ccc(NC2=C[C@]3(CCC2)c2c(F)cccc2C[C@H]2CCCN23)cc1	963097893	NWWLBEJGXNQJNG-NFBKMPQASA-N	363.480	4.804	10	1	FJCF	
COc1ccc([C@@H](NC(C)=O)c2c(O)ccc3oc4ccccc4c23)cc1	72175145	PNMXKXNZQZNBIK-JOCHJYFZSA-N	361.397	4.526	10	1	FJCF	
COc1ccc([C@H]2Sc3ccccc3-n3c(CN(C)C)ccc32)cc1	13651945	TYMAXGQYKWRKGX-OAQYLSRUSA-N	350.487	4.743	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(/C=C\C(=O)Nc4ccccc4)[nH]c3c2)cc1	587244523	OHCKJPSDJQUMSC-SEYXRHQNSA-N	370.412	4.589	10	1	FJCF	
O=C1c2ccccc2C(=O)c2c(OCCCCOc3ccccc3)cccc21	43011819	AFTVQTYGEBYKQH-UHFFFAOYSA-N	372.420	4.700	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c3c2)cc1	587969959	WFDKZTMVBHNRIB-ZAOXYVIJSA-N	373.456	4.584	10	1	FJCF	
O=C1c2ccccc2-c2cc(CCc3ccc(O)c(O)c3)nc3cccc1c23	587207658	UTAQVNOOACDYMG-UHFFFAOYSA-N	367.404	4.643	10	1	FJCF	
O=c1c(Cl)c(/N=N/Cc2ccc(Cl)cc2)cnn1-c1ccccc1	169688551	IOTZMJOQYQYLCP-LSDHQDQOSA-N	359.216	4.823	10	1	FJCF	
CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccc1)=C2c1ccccc1	96934694	UTSSIOBVCWUDCP-DHLKQENFSA-N	366.416	4.692	10	1	FJCF	
CC(=O)N1N=C(c2c(O)ccc3ccccc23)C[C@H]1c1ccc(Cl)cc1	5838537	QPODRDQMOHSPOG-IBGZPJMESA-N	364.832	4.896	10	1	FJCF	
CCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)nc2)cc1	95585062	RAUKTMKCVQXPNQ-UHFFFAOYSA-N	358.445	4.604	10	1	FJCF	
CN(C)c1ccc(Cn2c(-c3ccc(N(C)C)cc3)nc3ccccc32)cc1	73163355	DLXJQBILHMREAC-UHFFFAOYSA-N	370.500	4.884	10	1	FJCF	
Cc1cc(Cl)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(F)cc12	103973919	LIQQRQPWWKYAOD-QURGRASLSA-N	361.760	4.664	10	1	FJCF	
Oc1ccc2ccccc2c1[C@@H](c1ccc(Cl)cc1)N1CCC(O)CC1	72179775	RLIBSDHDRSOQGY-JOCHJYFZSA-N	367.876	4.745	10	1	FJCF	
COc1cc(/C=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc(O)c1O	587785970	QOBLTFULZWDCIV-JXMROGBWSA-N	374.396	4.945	10	1	FJCF	
CSCC[C@H]1Oc2ccccc2[C@H]2CC(c3cc(Cl)ccc3O)=NN12	20070780	BXPKRSIDBSXNNO-VQIMIIECSA-N	374.893	4.668	10	1	FJCF	
C=CC(=O)Nc1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1	587243333	BPVGGKCPYCGNQQ-UHFFFAOYSA-N	370.412	4.729	10	1	FJCF	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	4859591	DNBJCVYANBEAGR-AHIWAGSCSA-N	370.792	4.773	10	1	FJCF	
CC(C)c1ccc([C@@]2(c3ccc(O)c(O)c3)OC(=O)c3ccccc32)cc1	103191023	PIZIIMOLJBZNSQ-QHCPKHFHSA-N	360.409	4.684	10	1	FJCF	
Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1	587276024	HYPPUZMVJUJEOX-STXHMFSFSA-N	360.417	4.914	10	1	FJCF	
CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3cc(Cl)ccc3O)=NN12	20070777	BXPKRSIDBSXNNO-APWZRJJASA-N	374.893	4.668	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@@](F)(Cl)C(F)(F)F)[nH]c3c2)cc1	587090134	MDFYLPHRWCDLOG-AWEZNQCLSA-N	359.710	4.861	10	1	FJCF	
CN(CCN1CCCC1)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1	39239947	RLTNLABZOQWBMP-UHFFFAOYSA-N	354.538	4.566	10	1	FJCF	
COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc(C)c4)c1C)[C@@H](C2)C3=O	587430956	LGUNEKAUAARMHL-RDPSFJRHSA-N	373.452	4.900	10	1	FJCF	
Nc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1	35821094	VTGWHEQVLMWYAW-DNQXCXABSA-N	372.512	4.738	10	1	FJCF	
COc1cccc2c(NNc3ccccc3)c3ccc([N+](=O)[O-])cc3nc12	5842964	BEQAYMHXRFQWNN-UHFFFAOYSA-N	360.373	4.744	10	1	FJCF	
C[C@H]1CC(=O)c2c3c(n(CCc4ccccc4)c2C1)-c1ccccc1C3=O	113431011	ZVASCVRKMXOAJR-OAHLLOKOSA-N	355.437	4.707	10	1	FJCF	
COc1ccc2nc3cc(Cl)ccc3c(Nc3cccnc3N)c2c1	72107424	XDXNUJDPWSCMNW-UHFFFAOYSA-N	350.809	4.771	10	1	FJCF	
COc1cccc(-c2ccc(C(=O)N(C)Cc3ccccc3O)s2)c1F	299838994	WTRLDWCJSFEJMR-UHFFFAOYSA-N	371.433	4.541	10	1	FJCF	
CCCc1c(O)ccc2c1O[C@@](C)(CSc1ncc(C)s1)CC2=O	587495147	NQCLXGMPOCNJAC-GOSISDBHSA-N	363.504	4.626	10	1	FJCF	
O=C(O)c1cccc2c(-c3ccc(F)cc3)c(-c3ccc(O)cc3O)[nH]c12	587638414	PEODRQIJZLLCQR-UHFFFAOYSA-N	363.344	4.750	10	1	FJCF	
Cc1cccc(-c2nc3c(NCc4ccc(N(C)C)cc4)nccc3[nH]2)c1	74386746	PWFWSCIGLGXHJM-UHFFFAOYSA-N	357.461	4.611	10	1	FJCF	
CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc(Cl)cc(Cl)c1O	95561660	WYRDVJBRKLNIFY-MRXNPFEDSA-N	367.207	4.536	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(-c4ccc(O)cc4Cl)[nH]c3c2)cc1	587053998	KARBVZISPQHMTB-UHFFFAOYSA-N	351.793	4.963	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@H]4C[C@H](O)c5ccccc54)[nH]c3c2)cc1	586901024	GBXCEYAGZNIMPU-RXVVDRJESA-N	357.413	4.506	10	1	FJCF	
CCc1ccc(CC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C	587943659	MLLJMTJLZAMJGE-UHFFFAOYSA-N	355.207	4.720	10	1	FJCF	
COc1cc(C)cc2ccc(-c3ccc4c(c3O)[C@H](C)N[C@H](C)C4)c(O)c12	6484940	UOMMAZXPQFOUSU-KGLIPLIRSA-N	363.457	4.830	10	1	FJCF	biogenic,in-vitro
O=C(C(=O)c1ccccc1C(=O)N1CCCCC1)c1ccc2ccccc2c1	40564165	WLBBQKOHAUWQMZ-UHFFFAOYSA-N	371.436	4.532	10	1	FJCF	
CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc(Cl)cc(Cl)c1O	95558272	PJGNVCGFXYWQGX-QGZVFWFLSA-N	363.244	4.705	10	1	FJCF	
Cc1c(-c2ccc(-n3cccc3)cc2F)[nH]c2cc(F)cc(F)c2c1=O	1772632794	JCTYMLCWXJSTGP-UHFFFAOYSA-N	354.331	4.712	10	1	FJCF	
CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)cc1	96172847	ZLFRXUBAGNTANS-QGZVFWFLSA-N	367.489	4.826	10	1	FJCF	
Oc1c([C@@H](Nc2cccnc2)c2ccc(F)cc2F)ccc2cccnc12	1772615753	WITTVNGJBVWZJQ-FQEVSTJZSA-N	363.367	4.815	10	1	FJCF	
CN(C)c1ccc([C@@H]2CC(c3ccccc3O)=NN2c2ccccc2)cc1	28528002	CMONTZKUDVIFBZ-QFIPXVFZSA-N	357.457	4.814	10	1	FJCF	
COc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	4729373	GDANHHYAQPQEOV-QUCCMNQESA-N	358.869	4.560	10	1	FJCF	
C[C@@H](CCc1ccc2c(c1)c(N)c1ccc(N)cc1[n+]2[O-])CC(C)(C)C	5463169	ODIOSANOAXDMJQ-AWEZNQCLSA-N	351.494	4.796	10	1	FJCF	
O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1ccccc1Cl	72138256	MCYNNXDINLXYPC-VAWYXSNFSA-N	373.843	4.664	10	1	FJCF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)cc1C)CC2=O	587474832	KJIPKVJQIWVFPX-JOCHJYFZSA-N	365.473	4.960	10	1	FJCF	
CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1Cc1cc(O)c(O)c(C=O)c1O	2356391176	SKKQYRZGBKHKPE-CECAUBDESA-N	358.478	4.957	10	1	FJCF	
COC(=O)Nc1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1	587243223	GMWAYDABEOHIIH-UHFFFAOYSA-N	374.400	4.783	10	1	FJCF	
Cc1c(F)ccc2c1[C@@H](c1ccc(C)n1-c1ccc(Cl)cn1)NCC2	962090324	IHRQGGRBZVBLRG-HXUWFJFHSA-N	355.844	4.517	10	1	FJCF	
O=C(O)c1ccc2ccc([C@@H](Nc3ccccc3)c3ccccc3)c(O)c2n1	653783800	XJBATKDCBLDGFW-FQEVSTJZSA-N	370.408	4.840	10	1	FJCF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cccc2Cl)N1	587692312	KELUTGPBHCSCBX-BCTVWOGZSA-N	370.649	4.571	10	1	FJCF	
Oc1ccccc1Cn1cncc1-c1cc2cc(Br)ccc2[nH]1	1857745166	OGEAFRJSWWFKAT-UHFFFAOYSA-N	368.234	4.548	10	1	FJCF	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(Br)cc1C	102941297	GSDKTCSKXQROLH-QBNCKDSPSA-N	371.238	4.633	10	1	FJCF	
CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3cc[nH]n3)c2C1	13472683	LBVOFGFYNPOQHT-UHFFFAOYSA-N	361.517	4.901	10	1	FJCF	
Cc1cc(C)c([C@@H]2c3ccsc3CCN2Cc2cccnc2)c(O)c1	962989543	ABGBXJUMKZJSPZ-NRFANRHFSA-N	350.487	4.613	10	1	FJCF	
Cc1cc(Cl)ccc1OCC(=O)N=Nc1c(O)[nH]c2ccc(F)cc12	617960320	LIQQRQPWWKYAOD-UHFFFAOYSA-N	361.760	4.664	10	1	FJCF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cccc2Cl)N1	587695249	QPHIJHNYOSPSPU-BCTVWOGZSA-N	370.649	4.571	10	1	FJCF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2O)N1	587704795	VQZJEIAEHDUZIV-VPTHRUTESA-N	370.649	4.571	10	1	FJCF	
O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCN3CCCCC3)c12	5956282	ODBDDMPHYJOJFM-UHFFFAOYSA-N	364.449	4.584	10	1	FJCF	
COc1cc2c(O)c(-c3ccc4c(c3O)[C@@H](C)N[C@@H](C)C4)ccc2cc1C	2356708695	YUXLLXSPQDDOEE-UONOGXRCSA-N	363.457	4.830	10	1	FJCF	
C/N=N/Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1	13527469	MJYHECTVHQNNJE-UHFFFAOYSA-N	357.215	4.545	10	1	FJCF	
COc1cc(C)c(-c2ccc(O)c3c2C[C@H](C)N[C@H]3C)c2cccc(O)c12	15121585	NALOMJPIDNQZKW-KBPBESRZSA-N	363.457	4.830	10	1	FJCF	biogenic
CSCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3cc(Cl)ccc3O)=NN12	6721642	BXPKRSIDBSXNNO-LPHOPBHVSA-N	374.893	4.668	10	1	FJCF	
CCCOc1ccc(/C=C2\SC(c3ccc(OC)cc3)=NC2=O)cc1	84757853	CHKNMFFGUVTJPC-AQTBWJFISA-N	353.443	4.545	10	1	FJCF	
COc1ccc2c(c1)[C@]1(CC=C(C)C)CCN(C)[C@H]1N2Cc1ccccc1	195330285	JPVMUILNRYSVCX-ZEQRLZLVSA-N	362.517	4.971	10	1	FJCF	
Nc1ccc(Oc2ccc3[nH]c(-c4ccc5oc(=O)ccc5c4)nc3c2)cc1	586918196	LPMDWLLFBQOMLD-UHFFFAOYSA-N	369.380	4.711	10	1	FJCF	
CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)c2ccccc12	12508946	SBERNLZHGUBTKR-UHFFFAOYSA-N	355.419	4.568	10	3	FJCF	
[N-]=[N+]=NCCCCCCc1nc2c(Cl)c(Br)cnc2[nH]1	587259656	HCUIQMHWTBZFSD-UHFFFAOYSA-N	357.643	4.787	10	1	FJCF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cccc2Cl)N1	587695250	QPHIJHNYOSPSPU-PWJLMRLQSA-N	370.649	4.571	10	1	FJCF	
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	4131783	GHLCBQZUTBKNAD-DAYGRLMNSA-N	370.246	4.974	10	1	FJCF	
CN1C(=O)/C(=C/c2nc(-c3cccc(F)c3)n3ccccc23)c2ccccc21	72109734	XZYKLBUMCINXJA-NBVRZTHBSA-N	369.399	4.657	10	1	FJCF	
CC1=Nc2c(ccc3c2C(=O)c2ccccc2C3=O)N[C@H](c2ccncc2)C1	5499096	SSPKLSZDKQGWSO-IBGZPJMESA-N	367.408	4.506	10	1	FJCF	
CCCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1	96273313	OAVBFNPMFUTTAH-UHFFFAOYSA-N	370.401	4.536	10	1	FJCF	
O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cc4c(s3)CCC4)nc21	587037176	SWOVXARZGSFJGC-UHFFFAOYSA-N	370.433	4.556	10	1	FJCF	
Cc1cc(C)c([C@H]2c3ccsc3CCN2Cc2cccnc2)c(O)c1	962989565	ABGBXJUMKZJSPZ-OAQYLSRUSA-N	350.487	4.613	10	1	FJCF	
CN1C(=O)/C(=C/c2cc(/N=N\c3ccccc3)ccc2O)SC1=S	102695161	QVELRKGNIMJGHK-QNNPSDNZSA-N	355.444	4.639	10	1	FJCF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cccc2Cl)N1	587695251	QPHIJHNYOSPSPU-VPTHRUTESA-N	370.649	4.571	10	1	FJCF	
CN1C(=O)/C(=C/c2nc(-c3ccccc3)n3ccccc23)c2ccccc21	72107259	LMFUZZBFLFEJFI-OBGWFSINSA-N	351.409	4.518	10	1	FJCF	
O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3ccsc3)[nH]c21	587026704	WVMHTCFGKKKROG-YVMONPNESA-N	356.406	4.570	10	1	FJCF	
CC(C)C[C@@H]1c2cc(O)c(O)cc2C=C2c3ccc(O)c(O)c3C=C[C@@H]21	2356618615	BHKKOZZKVAWHHS-PBHICJAKSA-N	350.414	4.836	10	1	FJCF	
COc1ccc2c(c1)oc(=O)c1c3cc(O)c(O)c(CC=C(C)C)c3oc21	43072655	OCSVLSKWXCFMKU-UHFFFAOYSA-N	366.369	4.621	10	1	FJCF	biogenic
CN(C)C1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1	13734164	BGTQMUMIKLPHHV-PTNGSMBKSA-N	360.523	4.519	10	1	FJCF	
CN(C)/N=N/c1ccc2ncnc(Nc3cccc(Br)c3)c2c1	13527489	BJHHCOYBAMQCLB-QURGRASLSA-N	371.242	4.696	10	1	FJCF	
COc1ccc([C@H]2Nc3ccc(C(C)=O)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-]	58487304	FMQCSUOOUCKXTD-CKJXQJPGSA-N	364.401	4.633	10	1	FJCF	
O=C(O)c1cc(-n2c(-c3ccc(F)cc3)cc3c2CCCC3)ccc1O	39194366	PCKQZZPQKJJREL-UHFFFAOYSA-N	351.377	4.566	10	1	FJCF	
CC(C)C[C@H]1c2cc(O)c(O)cc2C=C2c3ccc(O)c(O)c3C=C[C@@H]21	2356618616	BHKKOZZKVAWHHS-RHSMWYFYSA-N	350.414	4.836	10	1	FJCF	
COc1cccc2c(-c3ccc4c(c3O)[C@H](C)N[C@H](C)C4)ccc(OC)c12	2356725132	JLCSNVCXHOXIJC-KGLIPLIRSA-N	363.457	4.825	10	1	FJCF	
CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(N)c(N)cc4[nH]3)cc2)cc1	587196080	QFAQSCIFRXOQEM-UHFFFAOYSA-N	371.448	4.876	10	1	FJCF	
Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N)cc3)cc12	114710243	UUTFDZADCKQEPF-UHFFFAOYSA-N	354.479	4.746	10	1	FJCF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2O)N1	587696700	LWVGEMMYRSHNJJ-VPTHRUTESA-N	370.649	4.571	10	1	FJCF	
CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccc1)=C2c1ccccc1	96934693	UTSSIOBVCWUDCP-WIOPSUGQSA-N	366.416	4.692	10	1	FJCF	
Oc1c([C@H](Nc2ncccn2)c2ccccc2)cc(Cl)c2cccnc12	1772655375	VZSDUOWBVDUKPZ-QGZVFWFLSA-N	362.820	4.585	10	1	FJCF	
CN(C)c1ccc(/C=C/c2ccc(OCC3COC(C)(C)OC3)cc2)cc1	13673432	DAPCVMUQFKTPRT-AATRIKPKSA-N	367.489	4.701	10	1	FJCF	
C[C@@H](Sc1ncccn1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	586963136	DWDGGNREUYHUOE-GFCCVEGCSA-N	363.446	4.581	10	1	FJCF	
COc1ccccc1CCNCc1cc(-c2ccc(F)cc2)ccc1O	45368730	SYCUGHSMRFDEPF-UHFFFAOYSA-N	351.421	4.539	10	1	FJCF	
Cc1c(F)cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1F	587133435	XATRAIBRGVNTFB-UHFFFAOYSA-N	374.346	4.592	10	1	FJCF	
CC(C)=CC(C)(C)c1c(C)cc(O)c2c(=O)c3cc(O)c(O)cc3oc12	40576279	BFCORSRKGHOBIS-UHFFFAOYSA-N	354.402	4.615	10	1	FJCF	biogenic
Nc1ccc(Oc2ccc3nc(/C=C\c4ccccc4C(=O)O)[nH]c3c2)cc1	586878869	HYAWVVCCKQPFFA-XGICHPGQSA-N	371.396	4.806	10	1	FJCF	
COc1cc2c(cc1OC)C[C@H](N=[N+]=[N-])c1cc(OC)c(OC)cc1C=C2	5850352	ORIWKZIIDDFSKY-INIZCTEOSA-N	367.405	4.799	10	1	FJCF	
CC(C)(N=[N+]=[N-])[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587339393	TZWGGXZSUHCKKB-LPHOPBHVSA-N	355.369	4.738	10	1	FJCF	
CS(=O)(=O)Nc1ccc2c(Nc3ccccc3)c3ccccc3nc2c1	100867436	QLTOWFGTZAMCEB-UHFFFAOYSA-N	363.442	4.503	10	1	FJCF	
O=C1N=C(O)S/C1=C\c1ccc(OC[C@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1	261125666	KEBLMCRLTPTWEZ-YRMIVSEJSA-N	363.866	4.683	10	1	FJCF	
Cc1ccc(CCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1N	587250953	UONQREASFMAPLS-UHFFFAOYSA-N	358.445	4.613	10	1	FJCF	
C[C@H](CCc1ccc2c(c1)c(N)c1ccc(N)cc1[n+]2[O-])CC(C)(C)C	17130454	ODIOSANOAXDMJQ-CQSZACIVSA-N	351.494	4.796	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@@H](O)c4ccccc4Cl)[nH]c3c2)cc1	587059300	NZYXJVUUHVWBHH-IBGZPJMESA-N	365.820	4.673	10	1	FJCF	
c1ccc(C[n+]2ccc(Cn3c4c(c5ccccc53)CCCC4)cc2)cc1	1857536427	QRWFQQPTPROUFS-UHFFFAOYSA-N	353.489	4.904	10	1	FJCF	
Cc1nc(C)c(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)s1	587012663	QTVWKNNQFDWIQO-UHFFFAOYSA-N	350.447	4.602	10	1	FJCF	
[N-]=[N+]=NCCCCCCc1nc2c(Br)cnc(Cl)c2[nH]1	587260275	PPBKDFVTAGMVGQ-UHFFFAOYSA-N	357.643	4.787	10	1	FJCF	
O=C(O)[C@@H]1Nc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2[C@@H]2C=CC[C@@H]12	587212549	SQWGTMPFDJJPOL-SEPYTNNBSA-N	368.436	4.539	10	1	FJCF	
[N-]=[N+]=N[C@@]1(c2ccccc2)C(=O)c2cccc3c4ccccc4n(c23)C1=O	73276903	FXUGFEPYHIYZAS-NRFANRHFSA-N	352.353	4.837	10	1	FJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cccc(F)c3)c1C)O2	587384379	LAEKLXRFNYPCNO-OAQYLSRUSA-N	364.420	4.830	10	1	FJCF	
Cc1cccc(CCc2cccc(/C=C/c3c(O)c(O)cc(O)c3O)c2)c1	169685527	UQNROPGQMRVCCD-ZHACJKMWSA-N	362.425	4.773	10	1	FJCF	
COc1ccc(NC(=S)NNc2c3ccccc3nc3ccccc23)cc1	38267574	PZQXACSMXZECIU-UHFFFAOYSA-N	374.469	4.710	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)cc1	586884422	HVIILFNAABTGDQ-QLFBSQMISA-N	359.429	4.576	10	1	FJCF	
O=C1C(=O)[C@H]([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21	100380580	UYFLKEIEOREOFC-FRIZHTMISA-N	366.844	4.878	10	1	FJCF	
O=C(N=Nc1c(O)[nH]c2c(Cl)cc(Cl)cc12)c1ccccc1O	617995266	UKONEOUGLCGSMG-UHFFFAOYSA-N	350.161	4.810	10	1	FJCF	
CCOc1ccc2nc3cc(NCc4ccccc4OC)ccc3c(N)c2c1	39559691	MGRNSDYIGWHIFR-UHFFFAOYSA-N	373.456	4.990	10	1	FJCF	
O=C(O)[C@@H]1Nc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2[C@H]2C=CC[C@H]21	587212552	SQWGTMPFDJJPOL-YGKZAACZSA-N	368.436	4.539	10	1	FJCF	
Cc1cc(Br)c2[nH]c(O)c(N=NC(=O)c3ccc(O)cc3)c2c1	617960140	DZQQTHGJCPWJNC-UHFFFAOYSA-N	374.194	4.574	10	1	FJCF	
CC1=Nc2c(ccc3c2C(=O)c2ccccc2C3=O)N[C@@H](c2ccncc2)C1	5499101	SSPKLSZDKQGWSO-LJQANCHMSA-N	367.408	4.506	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(/C=C4/OC(=O)c5ccccc54)[nH]c3c2)cc1	586906563	NZOZGALEGZGMCK-UDWIEESQSA-N	369.380	4.606	10	1	FJCF	
CSCC[C@H]1Oc2ccccc2[C@@H]2CC(c3cc(Cl)ccc3O)=NN21	6721641	BXPKRSIDBSXNNO-QFBILLFUSA-N	374.893	4.668	10	1	FJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(F)c3[nH]1)[C@@H]1CC=C[C@H]21	587276324	KPFUAIAAHZZMFS-JCGVRSQUSA-N	364.380	4.745	10	1	FJCF	
O=C(O)c1ccc2ccc([C@H](Nc3ccccc3)c3ccccc3)c(O)c2n1	653783801	XJBATKDCBLDGFW-HXUWFJFHSA-N	370.408	4.840	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(C4(c5ccccc5O)CC4)[nH]c3c2)cc1	586897252	WTIXZQNRPDABRH-UHFFFAOYSA-N	357.413	4.723	10	1	FJCF	
O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(Cl)cc3)nc21	587068973	HBBPVQVNWCIRBQ-UHFFFAOYSA-N	358.784	4.659	10	1	FJCF	
CC(=O)Nc1c(C)cc(C)c2c1C(=O)C(=O)c1c(-c3ccc(C)cc3)coc1-2	45298864	FRVIQQXQOXSHOL-UHFFFAOYSA-N	373.408	4.876	10	1	FJCF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2O)N1	587704794	VQZJEIAEHDUZIV-PWJLMRLQSA-N	370.649	4.571	10	1	FJCF	
CCCCN[C@H](c1ccccc1O)[C@H](NCCCC)c1ccccc1O	27896699	NFHRPZIDRGLOPP-FGZHOGPDSA-N	356.510	4.660	10	1	FJCF	
Nc1c2ccccc2nc2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cccc12	29545054	BDUFLWJAOHURBE-UHFFFAOYSA-N	371.484	4.669	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(/C=C/C(=O)Nc4ccccc4)[nH]c3c2)cc1	587244522	OHCKJPSDJQUMSC-OUKQBFOZSA-N	370.412	4.589	10	1	FJCF	
CS(=O)(=O)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	28240869	XVFVIGNWEOCWLF-UHFFFAOYSA-N	362.454	4.676	10	1	FJCF	
CC(=O)Nc1sc(/N=N/Cc2ccc(O)cc2)nc1-c1cccs1	169688597	OCJFGOVNFKZZCK-LVZFUZTISA-N	358.448	4.820	10	1	FJCF	
c1ccc(C2CCN(CCCn3c4c(c5ccccc53)CCNC4)CC2)cc1	1857612815	ULTAFRZUICKQFS-UHFFFAOYSA-N	373.544	4.557	10	1	FJCF	
CN(C)c1ccc(/C=C2\C(=O)Nc3ccc(C(=O)c4cccs4)cc32)cc1	13538907	GOPIQWAPDSIQCF-PDGQHHTCSA-N	374.465	4.538	10	1	FJCF	
CSc1ccc(-c2ccc([C@@H]3NCCc4c(C)ccnc43)c(O)c2)cc1	963068113	BNKKBVMJXMZCBS-QFIPXVFZSA-N	362.498	4.720	10	1	FJCF	
CC(C)C[C@@H]1c2cc(O)c(O)cc2C=C2c3ccc(O)c(O)c3C=C[C@H]21	2356618617	BHKKOZZKVAWHHS-YOEHRIQHSA-N	350.414	4.836	10	1	FJCF	
O=c1c2cc(Cl)ccc2nc(/C=C/c2cccnc2)n1Cc1ccccc1	72104236	BLJSHJHZVKHXKZ-DHZHZOJOSA-N	373.843	4.664	10	1	FJCF	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(Br)cc1C	73274593	GSDKTCSKXQROLH-ZBBYCGENSA-N	371.238	4.633	10	1	FJCF	
COc1ccc2c(c1)[C@@]1(CC=C(C)C)CCN(C)[C@H]1N2Cc1ccccc1	58522981	JPVMUILNRYSVCX-BJKOFHAPSA-N	362.517	4.971	10	1	FJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C)c3[nH]1)[C@H]1CC=C[C@@H]21	587275591	DWDADBFDMCRKIH-SIFCLUCFSA-N	360.417	4.914	10	1	FJCF	
Oc1cc2c(c(Cl)c1O)CCN(Cc1ccco1)C[C@@H]2c1ccccc1	27106629	YFEJMFMEGZGMFB-GOSISDBHSA-N	369.848	4.534	10	1	FJCF	
O=C(C(=O)c1cccc2ccccc12)c1ccccc1C(=O)N1CCCCC1	40564984	KJZVUVKUIDDULB-UHFFFAOYSA-N	371.436	4.532	10	1	FJCF	
CC1(C)CC(=O)c2c3c(n(Cc4ccccc4)c2C1)-c1ccccc1C3=O	5963732	VEWAKNUODVQOLW-UHFFFAOYSA-N	355.437	4.903	10	1	FJCF	
N[P@@](=O)(O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	53260363	JYPSIKJKPGPJCC-UHFFFAOYSA-N	364.345	4.603	10	1	FJCF	
COc1cc(C)cc2c(-c3ccc4c(c3O)[C@@H](C)N[C@@H](C)C4)ccc(O)c12	15121579	ZTVGDICRDKHNSL-UONOGXRCSA-N	363.457	4.830	10	1	FJCF	biogenic
O=C(O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1	587077952	COBCEZWPLBFWSL-JCGVRSQUSA-N	365.820	4.741	10	1	FJCF	
O=C(COc1ccc(Cl)cc1Cl)/N=N/c1c(O)[nH]c2ccccc12	103966610	IPYZIYVCXJTAPW-QZQOTICOSA-N	364.188	4.870	10	1	FJCF	
CSc1ccc(-c2ccc([C@H]3NCCc4c(C)ccnc43)c(O)c2)cc1	963068109	BNKKBVMJXMZCBS-JOCHJYFZSA-N	362.498	4.720	10	1	FJCF	
Oc1ccc(Cc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1	40393124	URGVOFUIURHTMA-UHFFFAOYSA-N	352.865	4.780	10	1	FJCF	
CC(C)C[C@@H]1c2cc(O)c(O)cc2C=C2c3ccc(O)c(O)c3CC[C@H]21	2356775513	NZIOMKXXWIPSEI-YOEHRIQHSA-N	352.430	4.755	10	1	FJCF	
CC(C)CCNc1ccc(C(=O)c2ccccc2)c2c1OCC(C)(C)N2	27560302	PNOSAKQVXAVQGN-UHFFFAOYSA-N	352.478	4.959	10	1	FJCF	
Cc1cnc(SC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1	587535104	IGWQLYMONYFMOQ-IBGZPJMESA-N	359.516	4.847	10	1	FJCF	
CSc1cccc(-n2c(C)cc(-c3csc(CCCO)n3)c2C)c1	587924347	TWYHIVGHEFMNEN-UHFFFAOYSA-N	358.532	4.864	10	1	FJCF	
CC1(C)CCC(C)(C)c2cc(C(=O)C(=O)c3ccc(C(=O)O)cc3)ccc21	34352589	QEXFNVCSTDBYQY-UHFFFAOYSA-N	364.441	4.799	10	1	FJCF	
Nc1ccc(NC2=C[C@@]3(CCC2)c2c(F)cccc2C[C@H]2CCCN23)cc1	963097897	NWWLBEJGXNQJNG-OFNKIYASSA-N	363.480	4.804	10	1	FJCF	
COc1ccc([C@@H]2Sc3ccccc3-n3c(CN(C)C)ccc32)cc1	13651944	TYMAXGQYKWRKGX-NRFANRHFSA-N	350.487	4.743	10	1	FJCF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cccc2Cl)N1	587692314	KELUTGPBHCSCBX-PWJLMRLQSA-N	370.649	4.571	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(/C=C4\OC(=O)c5ccccc54)[nH]c3c2)cc1	586906562	NZOZGALEGZGMCK-NDENLUEZSA-N	369.380	4.606	10	1	FJCF	
CC(=O)Nc1c(C)cc(C)c2c1C(=O)C(=O)c1c(-c3ccccc3)coc1-2	45301301	PBDAQSOVFKIEHJ-UHFFFAOYSA-N	359.381	4.568	10	1	FJCF	
Oc1ccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)c(O)c1	71329255	KPECJCADQDRWRA-FQEVSTJZSA-N	354.409	4.843	10	1	FJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(F)cc3)c1C)O2	587385799	VEPIEEHTJZVAON-OAQYLSRUSA-N	364.420	4.830	10	1	FJCF	
COc1ccc([C@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]23)cc1[N+](=O)[O-]	2488536	FMQCSUOOUCKXTD-WHSLLNHNSA-N	364.401	4.633	10	1	FJCF	
Oc1ccc2n[nH]cc2c1[C@H](c1ccc(-n2cccc2)cc1)N1CCCCC1	2382241621	PAHBHSSGDXHQNY-QHCPKHFHSA-N	372.472	4.635	10	1	FJCF	
COc1cc(Cl)cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c1O	963108344	NRQUCMVQTQBVTH-HNNXBMFYSA-N	358.652	4.596	10	1	FJCF	
O=C(Oc1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1	96937653	UJKGEFXFFCFHGA-HXUWFJFHSA-N	358.397	4.742	10	1	FJCF	
COc1ccc2c(NCc3nc4ccccc4[nH]3)c3ccccc3nc2c1	212324910	AAHXLSXDMVEUQW-UHFFFAOYSA-N	354.413	4.885	10	1	FJCF	
CC(C)(N=[N+]=[N-])[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587339395	TZWGGXZSUHCKKB-QFBILLFUSA-N	355.369	4.738	10	1	FJCF	
Oc1c(OC(F)(F)F)cccc1[C@H]1c2c(F)cccc2C[C@H]2CCCN12	963096369	NEVKBFAGKCKKBJ-PXAZEXFGSA-N	367.342	4.540	10	1	FJCF	
[O-]/[N+](=N/c1ncc(-c2ccccc2)cn1)c1ncc(-c2ccccc2)cn1	5922263	CPYUHZWAXRNZNN-OCEACIFDSA-N	354.373	4.526	10	1	FJCF	
O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1cccc(Cl)c1	72120622	SSNAGGUGTVQNJJ-ZHACJKMWSA-N	373.843	4.664	10	1	FJCF	
C[C@]1(c2cc(F)cc(F)c2O)NCCc2cccc(-c3ccccc3)c21	962666583	NCXQNXRCDWFVOD-JOCHJYFZSA-N	351.396	4.747	10	1	FJCF	
NCCCc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1	26849803	UGMDWIMRDCNFLX-UHFFFAOYSA-N	372.428	4.931	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(-c4ccccc4/C=C\C(=O)O)[nH]c3c2)cc1	586878286	CAJXBJBFCBNLDX-XGICHPGQSA-N	371.396	4.702	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(CCc4cccc([N+](=O)[O-])c4)[nH]c3c2)cc1	587270957	XZBUSVGAMBKOPH-UHFFFAOYSA-N	374.400	4.631	10	1	FJCF	
COc1cc(C/N=N\c2ncnc3sc4c(c23)CCCC4)ccc1O	169728055	STFFILSSNNGGPS-DQRAZIAOSA-N	354.435	4.568	10	1	FJCF	
Cc1cc(C)c(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	587822615	PSPQMKJNGZCXAF-APPDUMDISA-N	364.258	4.534	10	1	FJCF	
C[C@H](Sc1ncccn1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	586963139	DWDGGNREUYHUOE-LBPRGKRZSA-N	363.446	4.581	10	1	FJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)cc3[nH]1)[C@H]1CC=C[C@@H]21	587277245	RGMVJOINRGXYRY-TYILLQQXSA-N	364.380	4.745	10	1	FJCF	
CCN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3	42989611	LXMBBFMKKSPIBR-FQEVSTJZSA-N	373.452	4.613	10	1	FJCF	in-vitro
O=C(CSc1nc2ccccc2s1)N=Nc1c(O)[nH]c2ccccc12	617960058	LLNWQLNHDLNMLG-UHFFFAOYSA-N	368.443	4.886	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)cc1	586901021	GBXCEYAGZNIMPU-GHTZIAJQSA-N	357.413	4.506	10	1	FJCF	
Oc1c([C@H](Nc2cccnc2)c2ccc(F)cc2F)ccc2cccnc12	1772615754	WITTVNGJBVWZJQ-HXUWFJFHSA-N	363.367	4.815	10	1	FJCF	
CCSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O	84669852	FBDCTYOJYCGNDI-UHFFFAOYSA-N	365.501	4.520	10	1	FJCF	
CN(C)c1ccc(/C=C/C=C2\C(=O)N(c3ccncc3)c3ccccc32)cc1	474610046	ZMZFHZQOXOWMCL-DZFOXCHBSA-N	367.452	4.923	10	1	FJCF	
COc1ccc2ccc(O)c([C@@H](c3ccccn3)N3CCC(C)CC3)c2c1	653713148	IAHSMIHINPJUKE-HSZRJFAPSA-N	362.473	4.770	10	1	FJCF	
N=C(N)Nc1ccc(OC(=O)c2ccc(/N=N\c3ccccc3)cc2)cc1	96900998	IXMHYHXZICGYQS-IZHYLOQSSA-N	359.389	4.627	10	1	FJCF	
O=C(COc1ccc2ccccc2c1)/N=N/c1c(O)[nH]c2ccc(F)cc12	103960878	OSNPFHZHBJWAJD-WCWDXBQESA-N	363.348	4.855	10	1	FJCF	
COc1ccc(C/N=N/c2c(Cl)cncc2Cl)c(OC)c1OC	169690347	ZTRWZLHXNVOETG-FMQUCBEESA-N	356.209	4.698	10	1	FJCF	
Cc1ccc2c3c(cc(-c4ccc(O)c(O)c4O)nc13)-c1ccccc1C2=O	587100678	DZUBNZBPXYCEKR-UHFFFAOYSA-N	369.376	4.538	10	1	FJCF	
COc1cc(C)c(N)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1	587248598	BTYIWBDXRUFPFL-UHFFFAOYSA-N	360.417	4.504	10	1	FJCF	
CNc1ncnc2c1N=C1CC(C)(C)CC(NC3CCCCC3)=C1S2	82055861	WTPFVRBMGDQTRE-UHFFFAOYSA-N	357.527	4.650	10	1	FJCF	
CCN(CC)Cc1cc(CNC2(c3ccccc3F)CCCC2)ccc1O	473110921	XTOYRKUOKANVEQ-UHFFFAOYSA-N	370.512	4.932	10	1	FJCF	
Oc1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cc1O	299864803	MXBPZRWXSFBKIO-UHFFFAOYSA-N	364.332	4.746	10	1	FJCF	
Cc1ccc(Sc2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)cc1	64540277	MBQWATUSPVZDJW-UHFFFAOYSA-N	373.343	4.915	10	1	FJCF	
COc1ccc(C/N=N/c2cc(C)nc3ccc(OC)cc23)c(OC)c1	169691629	UQEWOOUFXYBCTN-XTQSDGFTSA-N	351.406	4.853	10	1	FJCF	
Cc1ccc(S(=O)(=O)Oc2ccccc2/N=N/c2ccc(O)cc2)cc1	1857579330	VRMYDQRNAUEBEU-QZQOTICOSA-N	368.414	4.884	10	1	FJCF	
CCc1cc(O)c(O)cc1C[C@H](C)[C@H](C)Cc1cc(O)c(O)cc1CC	13474192	GLCPHXZBSQFVLX-OKILXGFUSA-N	358.478	4.691	10	1	FJCF	
CC(C)(C)c1cc2c(n1-c1ccc(O)c(C(=O)O)c1)CCc1ccccc1-2	39194376	KKARBUAGZRXGAY-UHFFFAOYSA-N	361.441	4.944	10	1	FJCF	
COc1ccc2ccc(O)c([C@H](c3ccccn3)N3CCC(C)CC3)c2c1	653713149	IAHSMIHINPJUKE-QHCPKHFHSA-N	362.473	4.770	10	1	FJCF	
Cc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccc(O)cc3)c2c1Br	103969550	GHSSFEPDLOMUIK-FMQUCBEESA-N	374.194	4.574	10	1	FJCF	
COc1ccc(C(=C2C=CC(N(C)C)C=C2)c2ccc(N(C)C)cc2)cc1	263620409	FEUHGUIYUWEJCH-UHFFFAOYSA-N	360.501	4.619	10	1	FJCF	in-vitro
Nc1ccc(Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)cc1	299818718	AFEVNETZDZSRSP-UHFFFAOYSA-N	351.413	4.875	10	1	FJCF	
Nc1ccc(Oc2ccc3[nH]c(C4=Cc5cccc(O)c5OC4)nc3c2)cc1	586909245	VTWXTBFXQLLRAZ-UHFFFAOYSA-N	371.396	4.576	10	1	FJCF	
COc1c2c(cc3c1-c1oc4cc(O)c(O)cc4c1CO3)OC(C)(C)C=C2	238788072	XVCQLBQIHRPHMQ-UHFFFAOYSA-N	366.369	4.596	10	1	FJCF	
O=c1oc2ccccc2c2sc3ccc(O)c(CN4CCCCC4)c3c12	2382229873	KVQSGNWLRZJDDE-UHFFFAOYSA-N	365.454	4.852	10	1	FJCF	
Cc1cc2c(C(C)C)c(O)c(O)c(C(=O)O)c2cc1Cc1ccccc1	13435915	JZNBODXUPHFMIR-UHFFFAOYSA-N	350.414	4.972	10	1	FJCF	
Cc1cccc2ccn(Cc3cc(CN4CCCC4)c(O)c4ncccc34)c12	1857755604	LVTNVISNTFAXBB-UHFFFAOYSA-N	371.484	4.848	10	1	FJCF	
COc1cccc2c(-c3ccc4c(c3O)[C@H](C)N[C@@H](C)C4)ccc(OC)c12	2356725131	JLCSNVCXHOXIJC-KBPBESRZSA-N	363.457	4.825	10	1	FJCF	
COc1cccc2cc(C)c(-c3ccc4c(c3O)[C@@H](C)N[C@@H](C)C4)c(O)c12	15121589	BLXBQYFTXJFAFN-UONOGXRCSA-N	363.457	4.830	10	1	FJCF	biogenic
O=C(COc1ccc2ccccc2c1)N=Nc1c(O)[nH]c2ccc(F)cc12	617960070	OSNPFHZHBJWAJD-UHFFFAOYSA-N	363.348	4.855	10	1	FJCF	
COc1cc2c3c(c1)O[C@H](c1ccc(-n4c(C)ccc4C)cc1)[C@@H](C2)C3=O	587431728	QTKONKZZXRPZGL-WMZHIEFXSA-N	359.425	4.591	10	1	FJCF	
O=C(NCc1ccc(N2CCCCCC2)cc1)Nc1cccc2cnccc12	14973420	VQVBGKYYNGAJRW-UHFFFAOYSA-N	374.488	4.937	10	1	FJCF	
Cc1cc2ccccc2n1Cc1cc(CN2CCCC2)c(O)c2ncccc12	1857646381	JLMDNVUDAJJZGV-UHFFFAOYSA-N	371.484	4.848	10	1	FJCF	
COc1cc2c(cc1OC)C[C@@H](N=[N+]=[N-])c1cc(OC)c(OC)cc1C=C2	5850345	ORIWKZIIDDFSKY-MRXNPFEDSA-N	367.405	4.799	10	1	FJCF	
COc1ccc(OC)c(-c2ccc(O)c(CNC3CCCCCC3)c2)c1	45390162	JWCOIZHZHNHNDR-UHFFFAOYSA-N	355.478	4.889	10	1	FJCF	
CC(C)C[C@H]1c2cc(O)c(O)cc2C=C2c3ccc(O)c(O)c3CC[C@@H]21	2356775512	NZIOMKXXWIPSEI-RHSMWYFYSA-N	352.430	4.755	10	1	FJCF	
COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(C)cc4)c1C)[C@@H](C2)C3=O	587429710	CMQHOWAAVYVRPY-RDPSFJRHSA-N	373.452	4.900	10	1	FJCF	
O=C(Cc1cccs1)N=Nc1c(O)[nH]c2ccc(Br)cc12	299813186	YGYNYYFRFIDTLV-UHFFFAOYSA-N	364.224	4.551	10	1	FJCF	
CN1/C(=C/C=C\c2oc3ccc(Cl)cc3[n+]2C)Oc2ccc(Cl)cc21	42682575	KIWLITQBKREIOS-UHFFFAOYSA-N	374.247	4.948	10	1	FJCF	
CN(C)c1ccc(C(=C2C=CC(N(C)C)C=C2)c2ccc(N(C)C)cc2)cc1	40918044	BUUMPKZSQWCWJJ-UHFFFAOYSA-N	373.544	4.677	10	1	FJCF	biogenic
Cc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C	587822829	RKEUMHVDBGMGNJ-ADLMAVQZSA-N	364.258	4.534	10	1	FJCF	
CN(C)c1ccc(N=Nc2ccc(-c3nc4c[nH]c(=N)cc4[nH]3)cc2)cc1	587195798	NLERNQGWGXOVHA-UHFFFAOYSA-N	357.421	4.519	10	1	FJCF	
COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1c(C)[nH]c3ccccc13)=[N+]2C	4313489	CNANZYWKSUIRCE-UHFFFAOYSA-O	373.476	4.982	10	1	FJCF	
Cc1cc(-c2csc(CC(=O)OC(C)C)n2)c(C)n1-c1ccccc1F	587922037	HNYQMNLRIHUXIS-UHFFFAOYSA-N	372.465	4.851	10	1	FJCF	
Nc1ccc(NC2=C[C@@]3(CCC2)c2c(F)cccc2C[C@@H]2CCCN23)cc1	963097898	NWWLBEJGXNQJNG-REWPJTCUSA-N	363.480	4.804	10	1	FJCF	
C[C@@H](Cc1cc(O)c(O)cc1Cl)[C@H](C)Cc1cc(O)c(O)cc1Cl	13474188	VSUNJYSTLUFMFV-AOOOYVTPSA-N	371.260	4.873	10	1	FJCF	
COc1cccc(-c2ccc(O)c(CNC34CC5CC(CC(C5)C3)C4)c2)n1	15003310	OGFKPRIAAKEUQJ-UHFFFAOYSA-N	364.489	4.521	10	1	FJCF	
NCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	28640316	WIHGPQLMZARRQE-UHFFFAOYSA-N	374.484	4.512	10	1	FJCF	
CC(C)C[C@@H]1c2cc(O)c(O)cc2C=C2c3ccc(O)c(O)c3CC[C@@H]21	2356775511	NZIOMKXXWIPSEI-PBHICJAKSA-N	352.430	4.755	10	1	FJCF	
CN(C)c1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3o2)cc1	40847373	DJMZZWJZEQCJRR-UHFFFAOYSA-N	357.413	4.813	10	1	FJCF	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1	71316066	FXZOALWZEQOWBL-UHFFFAOYSA-N	351.450	4.936	10	1	FJCF	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	4859593	DNBJCVYANBEAGR-DCGLDWPTSA-N	370.792	4.773	10	1	FJCF	
CC(=O)c1cc2c(C)cc3c(c2o1)C(=O)c1c(OC(C)C)cccc1C3=O	473082461	HVSGSCAWIVDBER-UHFFFAOYSA-N	362.381	4.506	10	1	FJCF	
Cc1c(CN2CCOCC2)cc(C2CCCCC2)n1-c1ccc(F)cc1	1857652513	BULMBVLHTDOAMN-UHFFFAOYSA-N	356.485	4.805	10	1	FJCF	
O=C(Nc1cccnc1)N1CCc2cc3c(ccn3Cc3ccccc3)cc21	13760587	TUCHOKBYAYGQNV-UHFFFAOYSA-N	368.440	4.679	10	1	FJCF	
C[C@]1(c2c(O)ccc3cc(O)ccc23)c2ccc(F)cc2C[C@H]2CCCN21	963112208	WZNDFFFCRCXYLF-UZUQRXQVSA-N	363.432	4.674	10	1	FJCF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cl)c2O)N1	587691802	IMRSSNQTXLTCEJ-VXJOIVPMSA-N	370.649	4.571	10	1	FJCF	
CC(=O)Nc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1C(=O)O	39194353	VDXWQJAVUORTLG-UHFFFAOYSA-N	374.440	4.680	10	1	FJCF	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N\c1ccccc1	102751763	ZYUVFIVPSIFNJP-NFFVOIMASA-N	361.430	4.685	10	1	FJCF	
O=C(O)C[C@@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1	1772609487	ONYFWCCHANZSDV-HNNXBMFYSA-N	366.244	4.626	10	1	FJCF	
Cc1nc(N)sc1-c1csc(Nc2cc(N(C)C)ccc2Cl)n1	61920893	IVUNNIBOPDQURJ-UHFFFAOYSA-N	365.915	4.620	10	3	FJCF	
CCCC(=O)N[C@H](c1ccc(SC)cc1)c1ccc2cccnc2c1O	84687617	JTPCTHKCDZTMAB-LJQANCHMSA-N	366.486	4.668	10	1	FJCF	
Cc1cc(C)c(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	587820661	DTFQSIUHNOXTKW-PIGZYNQJSA-N	364.258	4.534	10	1	FJCF	
CN(C)c1ccc(-c2cc3ncccc3c(NCc3ccc(N)cc3)n2)cc1	13489194	LJUQTFAXROCZHF-UHFFFAOYSA-N	369.472	4.557	10	1	FJCF	
Cc1cc(Br)c2[nH]c(O)c(/N=N/C(=O)c3ccc(O)cc3)c2c1	103969533	DZQQTHGJCPWJNC-FMQUCBEESA-N	374.194	4.574	10	1	FJCF	
COc1cc(C)cc2c(-c3ccc(O)c4c3C[C@H](C)N[C@H]4C)ccc(O)c12	2356708419	PETBTVKZGRITLO-KBPBESRZSA-N	363.457	4.830	10	1	FJCF	
CCC(CC)NCc1c(O)ccc2c(CNC(CC)CC)c(O)ccc12	45167322	QTRXFSHTXQFFJC-UHFFFAOYSA-N	358.526	4.807	10	1	FJCF	
CC/N=N/[C@H](C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1	169694192	UMTMBOVDABSTIX-YSMKLKLISA-N	362.412	4.541	10	1	FJCF	
CCCCCCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	64447725	LCDAQMVGRRZCQX-UHFFFAOYSA-N	370.401	4.536	10	1	FJCF	
Cc1ccc(S(=O)(=O)Nc2ccc(/N=N\c3ccc(O)cc3)cc2)cc1	102604644	HYRBPEPJMDRFKR-MRCUWXFGSA-N	367.430	4.917	10	1	FJCF	
COc1ccc2c(c1)[C@@]1(CC(=O)CC[C@@H]1CCCN=[N+]=[N-])N(C(C)C)CC2	962096858	ZZLWFFYIXFIXPR-UWJYYQICSA-N	370.497	4.617	10	1	FJCF	
COc1ccc([C@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@H]23)cc1[N+](=O)[O-]	101199974	FMQCSUOOUCKXTD-VWKPWSFCSA-N	364.401	4.633	10	1	FJCF	
CCOC(=O)c1cc(C)n(-c2cc(Cl)cc(Br)c2)c1C	587941752	VLLJGQISOWOABS-UHFFFAOYSA-N	356.647	4.687	10	1	FJCF	
Oc1ccccc1[C@@H]1CC(c2cccs2)=N[C@@H](c2ccc(F)cc2)N1	20763498	FLFYYHXWDWKXRS-JXFKEZNVSA-N	352.434	4.815	10	1	FJCF	
COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccccc4)c1C)[C@@H](C2)C3=O	587431939	RWFWQCVSSFQXIB-WMZHIEFXSA-N	359.425	4.591	10	1	FJCF	
COc1cc(/C=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc(O)c1O	587785971	QOBLTFULZWDCIV-YFHOEESVSA-N	374.396	4.945	10	1	FJCF	
COc1cc2c(cc1OC)C[C@H](N=[N+]=[N-])c1cc(OC)c(OC)cc1/C=C/2	104762548	ORIWKZIIDDFSKY-JFDDCEBESA-N	367.405	4.799	10	1	FJCF	
O=NCc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1O	169719103	XPIHYULIOOYXRY-UHFFFAOYSA-N	356.385	4.778	10	1	FJCF	
Oc1c([C@H](Nc2ccccn2)c2ccc(F)cc2F)ccc2cccnc12	202336823	SHNFUCKZPNTQET-HXUWFJFHSA-N	363.367	4.815	10	1	FJCF	
Cc1ccc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O	587823358	UJOQUQFLYVGNOU-PIGZYNQJSA-N	364.258	4.534	10	1	FJCF	
C[C@@]1(c2c(O)ccc3cc(O)ccc23)c2ccc(F)cc2C[C@@H]2CCCN21	963112206	WZNDFFFCRCXYLF-SBUREZEXSA-N	363.432	4.674	10	1	FJCF	
Oc1ccc(C2=Cc3c(cc(O)c(O)c3CCc3ccccc3)CC2)cc1O	85569238	SKBBKRUSCOPRGX-UHFFFAOYSA-N	374.436	4.781	10	1	FJCF	biogenic,in-vitro
Cc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1	114338525	RYIBYVIRLMVBSK-UHFFFAOYSA-N	364.533	4.960	10	1	FJCF	
Cc1nc2cccc3c2c(c1Cc1ccc(O)c(O)c1)-c1ccccc1C3=O	587206983	OIOFKONHPILGNR-UHFFFAOYSA-N	367.404	4.757	10	1	FJCF	
Oc1c(OC(F)(F)F)cccc1[C@@H]1c2c(F)cccc2C[C@H]2CCCN21	963096372	NEVKBFAGKCKKBJ-SJKOYZFVSA-N	367.342	4.540	10	1	FJCF	
O=C1N=C(O)S/C1=C\c1ccc(OC[C@@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1	261125663	KEBLMCRLTPTWEZ-KSGOUEBUSA-N	363.866	4.683	10	1	FJCF	
O=C1c2ccccc2C(=O)c2cc3oc(SCc4ccccc4)nc3cc21	299820846	DXYBBQSCVFKQEE-UHFFFAOYSA-N	371.417	4.896	10	1	FJCF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cl)c2O)N1	587691800	IMRSSNQTXLTCEJ-AYVTZFPOSA-N	370.649	4.571	10	1	FJCF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cl)c2O)N1	587694675	PYAXULSLLFGQKH-GLEZIHRCSA-N	370.649	4.571	10	1	FJCF	
Cc1cc2nc(/C=C/[C@@H]3CCNC3)n(Cc3ccc(Cl)cc3)c2cc1C	140353644	OUVCUNKYIOXFPQ-ZGRWHYIRSA-N	365.908	4.978	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@@H]4C[C@H](O)c5ccccc54)[nH]c3c2)cc1	586901023	GBXCEYAGZNIMPU-NQIIRXRSSA-N	357.413	4.506	10	1	FJCF	
Oc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=S)Nc1ccccc1	6423137	QGAFXISBHOBDAE-HXUWFJFHSA-N	373.481	4.940	10	1	FJCF	
[N-]=[N+]=NCCCCCCc1nc2cccc(I)c2[nH]1	587259315	CMLPDKQPQBDBBB-UHFFFAOYSA-N	369.210	4.581	10	1	FJCF	
Nc1ccc(Oc2ccc3[nH]c(C(=O)CCc4ccccc4)nc3c2)cc1	587953024	DCUCPEZCROJTJK-UHFFFAOYSA-N	357.413	4.753	10	1	FJCF	
CC/N=N/[C@@H](C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1	169694190	UMTMBOVDABSTIX-UJJCNQHWSA-N	362.412	4.541	10	1	FJCF	
Cc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C	587820969	GEYBCGUEPBMNIY-ADLMAVQZSA-N	364.258	4.534	10	1	FJCF	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ncc(Cl)cc1Cl)N2	49052647	PEYZUNUITLDLNI-WQGACYEGSA-N	361.228	4.913	10	1	FJCF	
Cc1c(C)c(N2CCN(c3ccccc3)CC2)c(C)c2c1OC(C)(C)C2	653894998	DQHAAPBTMCNUFJ-UHFFFAOYSA-N	350.506	4.652	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c3c2)cc1	587087727	FVIHUUTXIOWPJL-CYBMUJFWSA-N	370.403	4.687	10	1	FJCF	
COc1cccc(CCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1	587931171	MJJSEERFEVLPSD-UHFFFAOYSA-N	359.429	4.731	10	1	FJCF	
Nc1ncc(-c2ccc(O)cc2)cc1OCc1c(Cl)cccc1Cl	38824624	UKLUNDRJHLHCRQ-UHFFFAOYSA-N	361.228	4.922	10	1	FJCF	
COc1cc2c(O)c(-c3ccc4c(c3O)[C@H](C)N[C@H](C)C4)ccc2cc1C	2356708694	YUXLLXSPQDDOEE-KGLIPLIRSA-N	363.457	4.830	10	1	FJCF	
O=C(N[C@H](c1ccccc1F)c1ccc2cccnc2c1O)c1ccccc1	3002452	JEELNKQZTXCYDW-OAQYLSRUSA-N	372.399	4.599	10	1	FJCF	
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	4131787	GHLCBQZUTBKNAD-RLFYNMQTSA-N	370.246	4.974	10	1	FJCF	
Cc1cc(Cc2cc(O)c(O)c(O)c2)c2c(C)cc3c(cc1-2)[C@@H](C)CO3	15263057	MGCBYGSAWIPHGZ-ZDUSSCGKSA-N	350.414	4.612	10	1	FJCF	biogenic
CCCc1cc(C(=O)O)ccc1OCCCCCCc1cccc(O)c1O	27096696	RQMUCWCNOHTAHU-UHFFFAOYSA-N	372.461	4.930	10	1	FJCF	
COc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1OC	141295591	OJNAXVNZURIBQD-UHFFFAOYSA-N	368.385	4.549	10	1	FJCF	
CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@H](C(C)C)N2)c1O	4729262	ZWMJBHVHXABDMU-KNQAVFIVSA-N	352.478	4.605	10	1	FJCF	
NC(=O)N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2oc3ccccc3c12	72175530	GAAYFQCPLOOMKH-IBGZPJMESA-N	366.804	4.703	10	1	FJCF	
O=C(/N=N/c1c(O)[nH]c2c(Cl)cc(Cl)cc12)c1ccccc1O	103941975	UKONEOUGLCGSMG-FMQUCBEESA-N	350.161	4.810	10	1	FJCF	
CCN(CC)c1ccc(/C=C2/SC(N(C)c3ccccc3)=NC2=O)cc1	206111356	RUTBWRLVCFPQKC-XDJHFCHBSA-N	365.502	4.640	10	1	FJCF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cccc2Cl)N1	587692317	KELUTGPBHCSCBX-VPTHRUTESA-N	370.649	4.571	10	1	FJCF	
O=C(N[C@@H](c1ccccc1F)c1ccc2cccnc2c1O)c1ccccc1	972736	JEELNKQZTXCYDW-NRFANRHFSA-N	372.399	4.599	10	1	FJCF	
O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3ccsc3)[nH]c21	587026697	WVMHTCFGKKKROG-VMPITWQZSA-N	356.406	4.570	10	1	FJCF	
Oc1c(F)cc(Br)cc1CNCC12CC3CC(CC(C3)C1)C2	299858216	DKGJJHRTQVTXNQ-UHFFFAOYSA-N	368.290	4.600	10	1	FJCF	
Cc1ccc(N2N=C3COc4ccc(-c5ccccc5)cc4C=C3C2=O)cc1	103257003	OGPQTZPIHBHYJP-UHFFFAOYSA-N	366.420	4.841	10	1	FJCF	
Cc1ccc2ccc([C@H](Nc3cccnc3)c3ccccc3F)c(O)c2n1	1772611637	LDBIBVKWCXIKRB-OAQYLSRUSA-N	359.404	4.984	10	1	FJCF	
Oc1c(C2=NN[C@H](c3ccc(Br)cc3)C2)ccc2ccccc12	1857545032	VUSNIMXEFGTMRL-KRWDZBQOSA-N	367.246	4.747	10	1	FJCF	
Cc1cc(C)c(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	587820536	DTFQSIUHNOXTKW-APPDUMDISA-N	364.258	4.534	10	1	FJCF	
Oc1ccc2oc3c4cc(F)ccc4nc(O)c3c2c1CN1CCCCC1	2382232992	UEQLIULATPVNHN-UHFFFAOYSA-N	366.392	4.670	10	1	FJCF	
Oc1cc2c(c(-c3ccc(Cl)cc3)c1O)CCNC[C@@H]2c1ccccc1	40939390	KHKYWHMCFSEBHI-LJQANCHMSA-N	365.860	4.696	10	1	FJCF	
N=C(N)Nc1ccc(OC(=O)c2ccc(/N=N/c3ccccc3)cc2)cc1	27208022	IXMHYHXZICGYQS-OCOZRVBESA-N	359.389	4.627	10	1	FJCF	
Oc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1CN1CCCC1	27555464	ULIPRSIEVVJKFP-UHFFFAOYSA-N	353.853	4.933	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@H]4Cc5cc(F)ccc5O4)[nH]c3c2)cc1	587173833	JYPMENGRTJVDIC-HXUWFJFHSA-N	361.376	4.753	10	1	FJCF	
O=C1c2ccccc2C(=O)c2c1ccc1nc(CC3CCCCCC3)[nH]c21	587959839	BCSXCZYETLNORS-UHFFFAOYSA-N	358.441	4.851	10	1	FJCF	
Cc1ccc2oc(/C=C/C=C3\Oc4ccc(Cl)cc4N3C)[n+](C)c2c1	169323877	PKDHKDJIOXDRGW-UHFFFAOYSA-N	353.829	4.603	10	1	FJCF	
COc1ccc2c(Nc3ccc(/C=C/C(N)=O)cc3)c3ccccc3nc2c1	26847638	DEHDDUWFRIJPTF-MDWZMJQESA-N	369.424	4.639	10	1	FJCF	
Cc1ccc2ccc([C@@H](Nc3cccnc3)c3ccc(F)cc3)c(O)c2n1	202032043	FXKPJEBJBJBKQS-FQEVSTJZSA-N	359.404	4.984	10	1	FJCF	
Cc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C	587820973	GEYBCGUEPBMNIY-VOJFVSQTSA-N	364.258	4.534	10	1	FJCF	
CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccc1)=C2c1ccccc1	96934695	UTSSIOBVCWUDCP-RCZVLFRGSA-N	366.416	4.692	10	1	FJCF	
C=Cc1ccc(N=Nc2c(O)ccc3ccccc23)cc1S(=O)(=O)O	2356860254	UDIPHSZKGQZCFX-UHFFFAOYSA-N	354.387	4.851	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(C4(c5ccc(O)cc5)CC4)[nH]c3c2)cc1	586898691	LAENKIITRAOCAF-UHFFFAOYSA-N	357.413	4.723	10	1	FJCF	
C[C@H]1CCCN(Cc2c(O)ccc3oc4c5ccccc5oc(=O)c4c23)C1	1857603866	XYSWUWMAPXGESX-ZDUSSCGKSA-N	363.413	4.630	10	1	FJCF	
Cc1cccc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1	587390936	SOBIWWBAPUNJKQ-JOCHJYFZSA-N	360.457	5.000	10	1	FJCF	
COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccccc4)c1C)[C@@H](C2)C3=O	587431937	RWFWQCVSSFQXIB-CVDCTZTESA-N	359.425	4.591	10	1	FJCF	
O=C(O)c1cc(/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)ccc1Cl	101879551	ZENDWTIXHYRPST-VHEBQXMUSA-N	360.713	4.549	10	1	FJCF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2O)N1	587696696	LWVGEMMYRSHNJJ-BCTVWOGZSA-N	370.649	4.571	10	1	FJCF	
Cc1ccc(C)n1-c1ccccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1	653808461	XMQOBPGXIBGYGV-UHFFFAOYSA-N	366.446	4.811	10	1	FJCF	
Cc1cc(-c2csc(-c3ccc(=N)[nH]c3)n2)c(C)n1-c1ccccc1F	587922312	ODMCJSNMWHVDOZ-UHFFFAOYSA-N	364.449	4.831	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(C[C@H]4CCc5occc5C4=O)[nH]c3c2)cc1	586907924	OUADABNNCJSNGN-CYBMUJFWSA-N	373.412	4.518	10	1	FJCF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cl)c2O)N1	587691801	IMRSSNQTXLTCEJ-GLEZIHRCSA-N	370.649	4.571	10	1	FJCF	
CNc1ccc2c(Nc3ccc(CC(=O)O)cc3)c3ccccc3nc2c1	26935753	GKMFVDPEZNHHHQ-UHFFFAOYSA-N	357.413	4.800	10	1	FJCF	
CCCCC[C@H](NC)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12	84652606	NUPCRABGLYUOME-HNNXBMFYSA-N	367.445	4.712	10	1	FJCF	
CN(C)CCCOc1ccc2c(c1)N=C1C(=CN(C)c3ccccc31)S2	1857537782	HYODCBSPNODNBS-UHFFFAOYSA-N	365.502	4.535	10	1	FJCF	
Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(C)cc2c1CCCC2	587943643	LWNBWZKLMDESCK-UHFFFAOYSA-N	367.218	4.783	10	1	FJCF	
Oc1ccc2ncccc2c1[C@H]1NCCc2cccc(-c3ccccc3)c21	962659173	FVLQZVGHOSYEFV-DEOSSOPVSA-N	352.437	4.843	10	1	FJCF	
OC1=C2C(=Nc3ccc4ncccc4c3[C@@H]2c2ccc(O)c(O)c2)CCC1	101762611	IPAQIMMPLOKNGP-FQEVSTJZSA-N	358.397	4.860	10	1	FJCF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cccc2Cl)N1	587695252	QPHIJHNYOSPSPU-ZKANADHPSA-N	370.649	4.571	10	1	FJCF	
O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1ccc(Br)cc1	103969825	ANCCJRWKBSFXGK-FMQUCBEESA-N	362.158	4.699	10	1	FJCF	
Cc1ccc2c3c(c4c(nc13)-c1ccc(O)c(O)c1C4)-c1ccccc1C2=O	587101331	MGKHDPBXPZPOQT-UHFFFAOYSA-N	365.388	4.737	10	1	FJCF	
COc1ccc2c(c1)[C@]1(CC(=O)CC[C@H]1CCCN=[N+]=[N-])N(C(C)C)CC2	962096853	ZZLWFFYIXFIXPR-DYESRHJHSA-N	370.497	4.617	10	1	FJCF	
COC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1	27525658	RCBDRBILCJKXKY-UHFFFAOYSA-N	373.412	4.802	10	1	FJCF	
CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc(O)cc3O)C2=C(O)C1	104040535	LNUPJGOTGXHJDV-FQEVSTJZSA-N	350.418	4.969	10	1	FJCF	
CN(C)c1ccc(N=Nc2ccc(-c3nc4c(=N)[nH]ccc4[nH]3)cc2)cc1	587195147	GNQQHNYCZPEOTB-UHFFFAOYSA-N	357.421	4.519	10	1	FJCF	
CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(F)c1	96172900	WSKFIKHKLHBJKU-OAHLLOKOSA-N	371.452	4.575	10	1	FJCF	
CN(CCO)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1	587192976	NMOZQHJTAAYEQF-UHFFFAOYSA-N	367.452	4.965	10	1	FJCF	
COC(=O)c1cc(O)c(O)c2c1[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2	13437252	FFBLMLRQAKGTJN-ROEJJBDBSA-N	372.505	4.941	10	1	FJCF	biogenic
Cc1cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C	587822831	RKEUMHVDBGMGNJ-BBATYDOGSA-N	364.258	4.534	10	1	FJCF	
CCCC[C@H]1Cc2cc(O)ccc2-c2c(C=O)c3cc(O)c(O)cc3n21	13606424	XQYWUJGSTBUSSQ-ZDUSSCGKSA-N	351.402	4.525	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(-c4cc(F)c(F)c(N)c4F)[nH]c3c2)cc1	587136440	GVDNTBYDHQIKKG-UHFFFAOYSA-N	370.334	4.604	10	1	FJCF	
COC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)N=C1C	103540399	JANBXLQNWRLFRJ-YBFXNURJSA-N	364.445	4.511	10	1	FJCF	
Oc1cc2c(c(Cl)c1O)CCN(Cc1ccco1)C[C@H]2c1ccccc1	27106631	YFEJMFMEGZGMFB-SFHVURJKSA-N	369.848	4.534	10	1	FJCF	
COc1ccc2c(c1)OCc1c-2oc2c(CC=C(C)C)c(O)c(O)cc12	43079834	CVWBRDWJOWRQRY-UHFFFAOYSA-N	352.386	4.921	10	1	FJCF	biogenic
Oc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccco3)C2)cc1	45339448	VXSMJDNZJRHNMY-SFHVURJKSA-N	363.442	4.533	10	1	FJCF	
Cc1ccc2ccc([C@H](Nc3cccnc3)c3ccc(F)cc3)c(O)c2n1	202032018	FXKPJEBJBJBKQS-HXUWFJFHSA-N	359.404	4.984	10	1	FJCF	
CCC(=O)N[C@@H](c1ccc(C)s1)c1cc(Cl)c2cccnc2c1O	36380516	WLBWBBLRMIYHBP-MRXNPFEDSA-N	360.866	4.579	10	1	FJCF	
OC1=C2C(=Nc3ccc4ncccc4c3[C@H]2c2ccc(O)c(O)c2)CCC1	101762618	IPAQIMMPLOKNGP-HXUWFJFHSA-N	358.397	4.860	10	1	FJCF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2O)N1	587704121	SICIDBMECWYVAM-PWJLMRLQSA-N	370.649	4.571	10	1	FJCF	
Cc1cc2c(n1-c1c(Br)cccc1-c1cnn(C)c1)CCCC2	587935812	QMXCUOOSZZVSSB-UHFFFAOYSA-N	370.294	4.828	10	1	FJCF	
Oc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccccc3)C2)cc1	45365537	CGMKEYBUSRPCPE-NRFANRHFSA-N	373.481	4.940	10	1	FJCF	
CN(c1ccccc1)c1ncnc2ccc(N/N=N/Cc3ccccn3)cc12	12352713	JQGXTUPDMJBRGY-UHFFFAOYSA-N	369.432	4.772	10	1	FJCF	
CN(C)c1ccc(/C=C/c2cnc(/C=C/c3ccc(N(C)C)cc3)cn2)cc1	95578793	OMKMYQUNLPDCNP-YDWXAUTNSA-N	370.500	4.949	10	1	FJCF	
CC(C)(C)c1cc(CNC(=O)NCc2ccccc2)c(O)c(C(C)(C)C)c1	169328415	ZLMSFQDFTNDMLM-UHFFFAOYSA-N	368.521	4.987	10	1	FJCF	
Cc1cc(-c2csc(-c3cncnc3)n2)c(C)n1-c1ccccc1F	587922781	VTJIYKAREXMVHO-UHFFFAOYSA-N	350.422	4.814	10	1	FJCF	
CCc1ccc(CC)n1-c1c(Br)cccc1-c1cnn(C)c1	587936541	UZCAEYKGKAUGSV-UHFFFAOYSA-N	358.283	4.765	10	1	FJCF	
CC(=O)N1N=C(c2c(O)ccc3ccccc23)C[C@@H]1c1ccc(Cl)cc1	5855424	QPODRDQMOHSPOG-LJQANCHMSA-N	364.832	4.896	10	1	FJCF	
CC(C)c1ccc([C@]2(c3ccc(O)c(O)c3)OC(=O)c3ccccc32)cc1	103191026	PIZIIMOLJBZNSQ-HSZRJFAPSA-N	360.409	4.684	10	1	FJCF	
CCN(CC)c1ccc(/N=N/c2c(-c3ccc(OC)cc3)[nH][nH]c2=O)cc1	169723241	BPCARLJNGCSVPG-XTQSDGFTSA-N	365.437	4.640	10	1	FJCF	
CC(C)(N=[N+]=[N-])[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587339387	TZWGGXZSUHCKKB-APWZRJJASA-N	355.369	4.738	10	1	FJCF	
Cc1ccc2c3c(c4c(nc13)-c1cc(O)c(O)cc1C4)-c1ccccc1C2=O	587101701	OVQGKCWBNVZVFF-UHFFFAOYSA-N	365.388	4.737	10	1	FJCF	
COc1cc(C)cc2ccc(-c3ccc4c(c3O)[C@@H](C)N[C@@H](C)C4)c(O)c12	15121575	UOMMAZXPQFOUSU-UONOGXRCSA-N	363.457	4.830	10	1	FJCF	biogenic
Oc1ccc2n[nH]cc2c1[C@@H](c1ccc(-n2cccc2)cc1)N1CCCCC1	2382241620	PAHBHSSGDXHQNY-HSZRJFAPSA-N	372.472	4.635	10	1	FJCF	
O=[N+]([O-])c1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12	587079372	DARFJQCYMLQVHL-JKDFXYPNSA-N	366.808	4.951	10	1	FJCF	
Cc1ccc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O	587823352	UJOQUQFLYVGNOU-APPDUMDISA-N	364.258	4.534	10	1	FJCF	
COc1ccc2c(c1)[C@@]1(CC=C(C)C)CCN(C)[C@@H]1N2Cc1ccccc1	40845221	JPVMUILNRYSVCX-DNQXCXABSA-N	362.517	4.971	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(/C=C/c4ccccc4C(=O)O)[nH]c3c2)cc1	586878868	HYAWVVCCKQPFFA-LFYBBSHMSA-N	371.396	4.806	10	1	FJCF	
CN(C)c1c([N+](=O)[O-])cc(/C=C\c2ccc3ccccc3c2)cc1[N+](=O)[O-]	38141760	KFTVGEUBKKHEIQ-FPLPWBNLSA-N	363.373	4.893	10	1	FJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccccc3C)c1C)O2	587391786	YXJIDFTYIIDJIE-QFIPXVFZSA-N	360.457	5.000	10	1	FJCF	
COc1cc2c(/C=C3/C(=O)Nc4cc(C)c(O)cc43)c(Cl)[nH]c2cc1C	6522233	JLYILVOUFBTGIX-MKMNVTDBSA-N	368.820	4.645	10	1	FJCF	
Nc1ccc(Oc2ccc3[nH]c(-c4n[nH]c5c(F)cccc45)nc3c2)cc1	587176902	VQEVCKAGRYFAAT-UHFFFAOYSA-N	359.364	4.620	10	1	FJCF	
O=C(O)c1ccc(/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1	101774569	RUFMFHAMRBSSDI-VHEBQXMUSA-N	360.167	4.750	10	1	FJCF	
[N-]=[N+]=NCCCCCCc1nc2ccc(I)cc2[nH]1	587260660	YJGCLXXPCZWBTP-UHFFFAOYSA-N	369.210	4.581	10	1	FJCF	
COc1ccc(Nc2c(-c3ccccn3)nc3ccc(Cl)cn23)cc1	3906258	GLTPHYRNIMZLKK-UHFFFAOYSA-N	350.809	4.802	10	1	FJCF	
COc1cc2c(cc1C)N(C)C(=O)/C2=C/c1c(Cl)[nH]c2ccccc12	58568716	IJCIGWZJHIYAMB-OQLLNIDSSA-N	352.821	4.655	10	1	FJCF	
O=C1C(=O)[C@@H]([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21	100380585	UYFLKEIEOREOFC-OHNRDTAOSA-N	366.844	4.878	10	1	FJCF	
CCCCCc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O	36741099	MSLKEHIECXNDCX-UHFFFAOYSA-N	366.505	4.772	10	1	FJCF	
Oc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccccc3)C2)cc1	45365540	CGMKEYBUSRPCPE-OAQYLSRUSA-N	373.481	4.940	10	1	FJCF	
CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc(Cl)cc(Cl)c1O	95558271	PJGNVCGFXYWQGX-KRWDZBQOSA-N	363.244	4.705	10	1	FJCF	
COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccccc4C)c1C)[C@@H](C2)C3=O	587432649	YDUWRHNMZDOARV-CYFREDJKSA-N	373.452	4.900	10	1	FJCF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cl)c2O)N1	587694673	PYAXULSLLFGQKH-ANRSDYALSA-N	370.649	4.571	10	1	FJCF	
Cc1cc(C)c(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	587820538	DTFQSIUHNOXTKW-DIFFPNOSSA-N	364.258	4.534	10	1	FJCF	
CC(=O)c1cccc(-c2cnc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)c1	28824600	DGOXZRXHOSLBIX-UHFFFAOYSA-N	356.429	4.561	10	1	FJCF	
O=C1C(=O)[C@@H](C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21	100382806	UYFLKEIEOREOFC-XBMPDCEQSA-N	366.844	4.878	10	1	FJCF	
COc1cc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc(O)c1O	1857542514	WBKJGQUFDPFPEM-UHFFFAOYSA-N	364.426	4.892	10	1	FJCF	
CCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12	970912	QLLLGTLCYGMVDG-HSZRJFAPSA-N	362.473	4.617	10	3	FJCF	
Cc1c(Cl)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1	13762074	KNSJGVMOBINZFT-UHFFFAOYSA-N	363.841	4.649	10	1	FJCF	
COc1cc(C)c(-c2ccc(O)c3c2C[C@H](C)N[C@@H]3C)c2cccc(O)c12	15121584	NALOMJPIDNQZKW-UONOGXRCSA-N	363.457	4.830	10	1	FJCF	biogenic
Brc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1	103189384	DNRRUJFNNMTGMT-UHFFFAOYSA-N	366.218	4.957	10	1	FJCF	
[N-]=[N+]=NCCCCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587260644	XQWKLAOBFOWBCF-UHFFFAOYSA-N	367.207	4.647	10	1	FJCF	
C=Cc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1	586882200	VKWWQHGNVHJFBJ-UHFFFAOYSA-N	350.377	4.648	10	1	FJCF	
Cc1ccc2c3c(n(CCCOc4ccc(Cl)cc4)c2c1)CNCC3	1857545012	NEDKVNSCRWHKMQ-UHFFFAOYSA-N	354.881	4.718	10	1	FJCF	
COc1ccc([C@H](NC(C)=O)c2c(O)ccc3oc4ccccc4c23)cc1	72175144	PNMXKXNZQZNBIK-QFIPXVFZSA-N	361.397	4.526	10	1	FJCF	
Cc1c(CNc2ccc(Cl)cc2)oc2c1C(=O)C(=O)c1ccccc1-2	169353730	WAFZWPXZRIUPSJ-UHFFFAOYSA-N	351.789	4.900	10	1	FJCF	
Nc1ccc(NC2=C[C@]3(CCC2)c2c(F)cccc2C[C@@H]2CCCN23)cc1	963097895	NWWLBEJGXNQJNG-NZQKXSOJSA-N	363.480	4.804	10	1	FJCF	
Oc1ccccc1CN=c1cc2cc(OCc3ccccc3)ccc2c[nH]1	621430373	RPDZBTIBUUDPLJ-UHFFFAOYSA-N	356.425	4.553	10	1	FJCF	
CN(C)c1c([N+](=O)[O-])cc(/C=C/c2ccc3ccccc3c2)cc1[N+](=O)[O-]	28112943	KFTVGEUBKKHEIQ-BQYQJAHWSA-N	363.373	4.893	10	1	FJCF	
Cc1cc(O)c(O)c(Cc2ccc([C@](C)(O)CCCC(C)C)c(O)c2)c1	2356788914	CQOPYNXJCNLSMM-JOCHJYFZSA-N	358.478	4.736	10	1	FJCF	
O=[N+]([O-])c1ccc(/N=N/Nc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1	32222553	RFRDEAGJOOCGPZ-UHFFFAOYSA-N	356.125	4.921	10	1	FJCF	
O=c1oc2cc(F)ccc2c2oc3ccc(O)c(CN4CCCCC4)c3c12	1772631906	IFVPICODEGDBSY-UHFFFAOYSA-N	367.376	4.523	10	1	FJCF	
Cc1ccc2nc(-n3nc(N)c(/N=N/c4ccc(F)cc4)c3N)sc2c1	98082207	VKCNTFHMXONFSY-GHVJWSGMSA-N	367.413	4.509	10	1	FJCF	
COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc(C)c4)c1C)[C@@H](C2)C3=O	587430954	LGUNEKAUAARMHL-GBXCKJPGSA-N	373.452	4.900	10	1	FJCF	
CCCOc1ccc(C2=NC(=O)/C(=C/c3ccc(OC)cc3)S2)cc1	84654764	RLINKXGUPVHWEW-AQTBWJFISA-N	353.443	4.545	10	1	FJCF	
Oc1cc(Cc2cc(O)c(O)c(Cl)c2Cl)c(Cl)c(Cl)c1O	40935138	VPAZGXKSWFSKBX-UHFFFAOYSA-N	370.015	4.713	10	1	FJCF	
COc1c(C)c(C)c2c(c1CCc1ccc(O)c(O)c1)CCC(C)(C)O2	28566816	AAUOIUSDNIMZLU-UHFFFAOYSA-N	356.462	4.612	10	1	FJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)cc1C)O2	587397990	DEKQRGBROGVEOB-OAQYLSRUSA-N	350.462	4.582	10	1	FJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cccc(F)c3)c1C)O2	587384378	LAEKLXRFNYPCNO-NRFANRHFSA-N	364.420	4.830	10	1	FJCF	
Cc1ccc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O	587823356	UJOQUQFLYVGNOU-GTNSWQLSSA-N	364.258	4.534	10	1	FJCF	
Cc1ccc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O	587822750	QVRBODFHRVANMY-GTNSWQLSSA-N	364.258	4.534	10	1	FJCF	
CCOc1ccc2nc3cc(NC(=O)c4ccc(C)cc4)ccc3c(N)c2c1	39559661	MRYDZUWYFQMMIY-UHFFFAOYSA-N	371.440	4.930	10	1	FJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(F)c3[nH]1)[C@@H]1CC=C[C@@H]21	587276330	KPFUAIAAHZZMFS-VFVRVIDISA-N	364.380	4.745	10	1	FJCF	
O=C(O)c1cccc(-c2ccc(C/N=N/c3ccc([N+](=O)[O-])cc3)o2)c1	169688220	MMQGVPBCGAAGOE-FMQUCBEESA-N	351.318	4.837	10	1	FJCF	
CNC(=O)OCc1cc(N)cc(Nc2c3ccccc3nc3ccccc23)c1	26944037	PEKUPFRACRBFRB-UHFFFAOYSA-N	372.428	4.570	10	1	FJCF	
CCCCN[C@@H](c1ccccc1O)[C@@H](NCCCC)c1ccccc1O	27896694	NFHRPZIDRGLOPP-VXKWHMMOSA-N	356.510	4.660	10	1	FJCF	
CN(C)c1ccc(N=Nc2ccc(-c3nc4c(O)nccc4[nH]3)cc2)cc1	587195833	OEKVPKNEQUTHIK-UHFFFAOYSA-N	358.405	4.812	10	1	FJCF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cl)c2O)N1	587691799	IMRSSNQTXLTCEJ-ANRSDYALSA-N	370.649	4.571	10	1	FJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)cc3[nH]1)[C@H]1CC=C[C@H]21	587277244	RGMVJOINRGXYRY-NJSLBKSFSA-N	364.380	4.745	10	1	FJCF	
O=C1CCCN1[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12	1772609078	YZIPFPWVMOXRRR-OAQYLSRUSA-N	351.833	4.911	10	1	FJCF	
CC1CCN(c2ccc(CNC(=O)Nc3cccc4cnccc34)cc2)CC1	14973429	MNYKWMUXKZDDBQ-UHFFFAOYSA-N	374.488	4.793	10	1	FJCF	
Cc1cc2nc(/C=C/[C@H]3CCNC3)n(Cc3ccc(Cl)cc3)c2cc1C	140353811	OUVCUNKYIOXFPQ-JZLODUJNSA-N	365.908	4.978	10	1	FJCF	
CS(=O)(=O)Nc1ccccc1Nc1c2ccccc2nc2ccccc12	29471512	RFPNRHJOPUIHFQ-UHFFFAOYSA-N	363.442	4.503	10	1	FJCF	
Cc1cc2c(c3oc(-c4ccccc4)cc13)C(=O)c1c(O)cccc1C2=O	473086011	ZXCXRBQMRRBAQQ-UHFFFAOYSA-N	354.361	4.889	10	1	FJCF	
c1ccc(C[n+]2cccc(Cn3c4c(c5ccccc53)CCCC4)c2)cc1	1857537435	AANJRFSYFVBFNI-UHFFFAOYSA-N	353.489	4.904	10	1	FJCF	
Oc1c(CN2CCCC2)cc(Cn2ccc3ccccc32)c2cccnc12	1857640296	YEKANMFVKIVNQA-UHFFFAOYSA-N	357.457	4.539	10	1	FJCF	
COc1cc2nc3c(cc2c(CN(C)C)c1O)CSc1ccc(C)cc1-3	43120918	IWKKUHMBSIWBEG-UHFFFAOYSA-N	366.486	4.592	10	1	FJCF	
O=C1NC(=S)S/C1=C\c1cc2ccc3ccccc3c2nc1Cl	169350388	ONBVLJKSANARPL-JYRVWZFOSA-N	356.859	4.530	10	1	FJCF	
COc1cccc(C/N=N/c2nc(-c3cccnc3)nc3ccccc23)c1O	169688599	FKAUNFYJEBNUOU-WNAAXNPUSA-N	371.400	4.690	10	1	FJCF	
Fc1ccc2c3c(n(CCCOc4ccc(Cl)cc4)c2c1)CNCC3	1857565857	AJVZMAFFVFCNLD-UHFFFAOYSA-N	358.844	4.549	10	1	FJCF	
COC(=O)c1cc(O)c(O)c2c1[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2	13437256	FFBLMLRQAKGTJN-VQDLLJBESA-N	372.505	4.941	10	1	FJCF	
COc1cc2c(/C=C3/C(=O)Nc4ccc(F)cc43)c(Cl)[nH]c2cc1C	28655900	RHVYKQQCYVAQEM-VGOFMYFVSA-N	356.784	4.770	10	1	FJCF	
O=C(CSc1nc2ccccc2s1)/N=N/c1c(O)[nH]c2ccccc12	103960938	LLNWQLNHDLNMLG-QZQOTICOSA-N	368.443	4.886	10	1	FJCF	
COc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(Cl)n1	587083868	PJXXRCIQZPOGJB-UHFFFAOYSA-N	366.808	4.661	10	1	FJCF	
CCOC1=C2N=C([C@H](CC)c3ccc(F)cc3)N=C2C(=O)c2ccccc21	1629478	JAOWQLNBEWEPQB-OAHLLOKOSA-N	362.404	4.774	10	1	FJCF	
Cc1cccc(-c2cc3c(s2)CN[C@H]2CCc4cc(O)c(O)cc4[C@H]32)c1	13762038	GKLDXZHGPYSMOV-HTAPYJJXSA-N	363.482	4.685	10	1	FJCF	
CCOc1cccc(O)c1[C@@]1(C)NCCc2cc(-c3ccccc3)ccc21	962663062	DPRBBFACFNXCLO-DEOSSOPVSA-N	359.469	4.867	10	1	FJCF	
COc1ccc(CCN2CCCn3c4c(c5ccccc53)CCC[C@@H]42)cc1	1857633059	XHGPSDINVSLXLT-QHCPKHFHSA-N	360.501	4.976	10	1	FJCF	
Cc1cc(CNCCNc2ccccc2)c(C)n1-c1ccc(Cl)cc1	1911584688	ISIUPWNXRWODDQ-UHFFFAOYSA-N	353.897	4.949	10	1	FJCF	
CCc1ccccc1NC(=O)c1nc2cc(Oc3ccc(N)cc3)ccc2[nH]1	587240430	DRCNYUZDDWSOKI-UHFFFAOYSA-N	372.428	4.752	10	1	FJCF	
Cc1cc(S(=O)(=O)Nc2ccc(N)cc2)c2c(C)ccc(C(C)C)cc1-2	72124456	KDJHMRCZDWNZOD-UHFFFAOYSA-N	368.502	4.915	10	1	FJCF	
Oc1ccccc1CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1	71296223	JCWIMJQNQNXQKG-UPVQGACJSA-N	373.496	4.862	10	1	FJCF	
COc1cccc(C(=O)Nc2c3ccccc3nc3ccccc23)c1OC	5550408	IWITURRCIJODSI-UHFFFAOYSA-N	358.397	4.658	10	1	FJCF	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc(-c2ccccc2)cc1	299822863	PAIKZAGYNQBCPL-UHFFFAOYSA-N	359.834	4.513	10	1	FJCF	
COc1cc2c(cc1OC)[C@@](C)(c1cc(C(C)C)ccc1O)N(C)[C@H](C)C2	962641208	ZLQYVKPYTZPDFI-CMJOXMDJSA-N	369.505	4.673	10	1	FJCF	
COc1cc(C)c(-c2ccc3c(c2O)[C@@H](C)N[C@@H](C)C3)c2cccc(O)c12	15121561	PBUONONRMDRRLQ-UONOGXRCSA-N	363.457	4.830	10	1	FJCF	biogenic
Nc1ccc(Oc2ccc3nc(Cc4c(F)cncc4Cl)[nH]c3c2)cc1	587175378	CENNIZHMARLWKZ-UHFFFAOYSA-N	368.799	4.716	10	1	FJCF	
CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)(C)C)cc(O)c1O)CC2=O	587488996	LWLWGUAYKYJGNS-IBGZPJMESA-N	370.445	4.760	10	1	FJCF	
Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc4c(cc3[nH]1)OCO4)N2	587078637	YCEMWYMMKCERNL-CRTZDJKQSA-N	365.820	4.772	10	1	FJCF	
CC(C)C[C@H]1c2cc(O)c(O)cc2C=C2c3ccc(O)c(O)c3CC[C@H]21	85569221	NZIOMKXXWIPSEI-WMLDXEAASA-N	352.430	4.755	10	1	FJCF	biogenic,in-vitro
CCN1/C(=C/C=C/c2oc3ccccc3[n+]2C)Sc2ccc(F)cc21	169323912	MNHBMZCIOJVEOF-UHFFFAOYSA-N	353.442	4.883	10	1	FJCF	
COc1cccc2cc(C)c(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)C4)c(O)c12	15121588	BLXBQYFTXJFAFN-ZIAGYGMSSA-N	363.457	4.830	10	1	FJCF	biogenic,in-vitro
O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1Cc1ccncc1	169327340	IBWPODRHFQLXAM-PDGQHHTCSA-N	362.479	4.636	10	1	FJCF	
Cc1ccc(-c2cc(C(=O)N=Nc3c(O)[nH]c4ccccc34)n[nH]2)s1	617960088	WOVJPZLNAMFTRY-UHFFFAOYSA-N	351.391	4.558	10	1	FJCF	
Oc1ccc([C@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)c(O)c1	71329256	KPECJCADQDRWRA-HXUWFJFHSA-N	354.409	4.843	10	1	FJCF	
CCCC[C@@H]1Cc2cc(O)ccc2-c2c(C=O)c3cc(O)c(O)cc3n21	13606422	XQYWUJGSTBUSSQ-CYBMUJFWSA-N	351.402	4.525	10	1	FJCF	
Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@H](c2ccccc2)C1	29045811	CPUSZGGMULHGKM-FQEVSTJZSA-N	373.481	4.940	10	1	FJCF	
Cc1cc(C)c(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	587822617	PSPQMKJNGZCXAF-DIFFPNOSSA-N	364.258	4.534	10	1	FJCF	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1Sc1ccccc1	1772600962	WPPBKWXOIPFZKF-ACCUITESSA-N	363.438	4.901	10	1	FJCF	
O=C(N=Nc1c(O)n(Cc2ccccc2)c2ccccc12)c1ccncc1	253987009	OUVPUWNLMGCFKD-UHFFFAOYSA-N	356.385	4.714	10	1	FJCF	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c(Cl)c1)C2	299833978	SJCXFZWGGNCCPI-UHSAMIASSA-N	350.842	4.522	10	1	FJCF	
Cc1cc(Cl)cc([C@H]2c3cccc(Br)c3CCN2C)c1O	963281622	TVJGJSSCAJKLSV-MRXNPFEDSA-N	366.686	4.694	10	1	FJCF	
CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccc1)=C2c1ccccc1	96934696	UTSSIOBVCWUDCP-RDGATRHJSA-N	366.416	4.692	10	1	FJCF	
CC(=O)c1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1	140746205	KGCMYWHVGMFMKH-UHFFFAOYSA-N	350.370	4.735	10	1	FJCF	
[N-]=[N+]=N[C@]1(c2ccccc2)C(=O)c2cccc3c4ccccc4n(c23)C1=O	73276906	FXUGFEPYHIYZAS-OAQYLSRUSA-N	352.353	4.837	10	1	FJCF	
O=C1CCCN1[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12	1772609076	YZIPFPWVMOXRRR-NRFANRHFSA-N	351.833	4.911	10	1	FJCF	
O=C1C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21	100382812	UYFLKEIEOREOFC-TYJKZOGGSA-N	366.844	4.878	10	1	FJCF	
[N-]=[N+]=NCCCCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587260652	XXXJBSDSBLXPNC-UHFFFAOYSA-N	367.207	4.647	10	1	FJCF	
COc1cc2c3c(c1)O[C@@H](c1ccc(-n4c(C)ccc4C)cc1)[C@@H](C2)C3=O	587431727	QTKONKZZXRPZGL-CVDCTZTESA-N	359.425	4.591	10	1	FJCF	
Cc1cc(Cl)ccc1Nc1nc2c(s1)C(=O)c1ccccc1C2=O	1617392	NULIEULDUCQMRO-UHFFFAOYSA-N	354.818	4.624	10	1	FJCF	
Cc1c(CNc2ccccc2Cl)oc2c1C(=O)C(=O)c1ccccc1-2	169353742	FLLQTEXTDXESIH-UHFFFAOYSA-N	351.789	4.900	10	1	FJCF	
Nc1ccc(Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)cc1	95555373	IQBZALSULYGYIS-UHFFFAOYSA-N	368.803	4.591	10	1	FJCF	
CCOc1cccc(O)c1[C@]1(C)NCCc2cc(-c3ccccc3)ccc21	962663084	DPRBBFACFNXCLO-XMMPIXPASA-N	359.469	4.867	10	1	FJCF	
O=C(O)C[C@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1	1772640622	ONYFWCCHANZSDV-OAHLLOKOSA-N	366.244	4.626	10	1	FJCF	
COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1	95755396	MLWZAHTXQRIQDA-PDGQHHTCSA-N	352.459	4.901	10	1	FJCF	
COc1ccc(N(Cc2ccc(F)cc2)Cc2ccc(OC)c(O)c2)cc1	103284407	WFPVQTQLTLBSOD-UHFFFAOYSA-N	367.420	4.755	10	1	FJCF	
Cc1[nH]c(C)c(-c2ccc(CCc3ccc(N)cc3)cc2)c(=O)c1Cl	45188880	HENYMEUCFOHFJT-UHFFFAOYSA-N	352.865	4.680	10	1	FJCF	
Cc1ccc(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)o1	95591235	XXBBBKLXCPUIKO-UHFFFAOYSA-N	373.456	4.718	10	1	FJCF	
O=C(O)[C@@H]1Nc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2[C@H]2C=CC[C@@H]21	587212542	SQWGTMPFDJJPOL-HKARXFIJSA-N	368.436	4.539	10	1	FJCF	
O=C(c1ccccc1NCc1ccc2cn[nH]c2c1)c1c[nH]c2ccccc12	38391704	SGLZEAMCOVIWDD-UHFFFAOYSA-N	366.424	4.887	10	1	FJCF	
Cc1cc(Br)cc2c(N=NC(=O)c3ccc(O)cc3)c(O)[nH]c12	617960324	UDXHHJCJLANCTG-UHFFFAOYSA-N	374.194	4.574	10	1	FJCF	
N=c1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c2ccccc2[nH]1	587253805	LIGXSSALUYJKQO-UHFFFAOYSA-N	367.412	4.565	10	1	FJCF	
COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)C4)ccc(OC)c12	2356725134	JLCSNVCXHOXIJC-ZIAGYGMSSA-N	363.457	4.825	10	1	FJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)cc1C)O2	587397988	DEKQRGBROGVEOB-NRFANRHFSA-N	350.462	4.582	10	1	FJCF	
COc1ccc(-c2cc(OC)c3c(oc4cc(O)c(O)cc43)c2OC)cc1	13382941	WGKJZQZVJSKRPI-UHFFFAOYSA-N	366.369	4.690	10	1	FJCF	biogenic,in-vitro
COc1cccc2cc(C)c(-c3ccc4c(c3O)[C@H](C)N[C@@H](C)C4)c(O)c12	15121587	BLXBQYFTXJFAFN-KBPBESRZSA-N	363.457	4.830	10	1	FJCF	biogenic
CCOC1=C2N=C([C@@H](CC)c3ccccc3F)N=C2C(=O)c2ccccc21	5502278	ALYWAMQRXVVHOD-ZDUSSCGKSA-N	362.404	4.774	10	1	FJCF	
Cc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C	587820974	GEYBCGUEPBMNIY-ZMZPIMSZSA-N	364.258	4.534	10	1	FJCF	
CCN1CCc2cc(-c3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	43061376	RJCYHSVPFFEYKA-HXUWFJFHSA-N	357.453	4.907	10	1	FJCF	in-vivo
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2O)N1	587696698	LWVGEMMYRSHNJJ-PWJLMRLQSA-N	370.649	4.571	10	1	FJCF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2O)N1	587704796	VQZJEIAEHDUZIV-ZKANADHPSA-N	370.649	4.571	10	1	FJCF	
CCOC1=C2N=C([C@H](CC)c3ccccc3F)N=C2C(=O)c2ccccc21	1629477	ALYWAMQRXVVHOD-CYBMUJFWSA-N	362.404	4.774	10	1	FJCF	
CC(C)(C)c1cc(O)c(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	587531851	IEXYWFADYSSDGK-FQEVSTJZSA-N	366.457	4.981	10	1	FJCF	
Cc1cc(C2=NN(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)ccc1O	103283067	BDPSDLDCBLWPFT-OAQYLSRUSA-N	373.412	4.965	10	1	FJCF	
Cc1c(O)ccc(C/N=N/c2nc(-c3cccnc3)nc3ccccc23)c1O	169688613	QRQWPHZWWKWCAE-WNAAXNPUSA-N	371.400	4.695	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@H](O)c4ccccc4Cl)[nH]c3c2)cc1	587059301	NZYXJVUUHVWBHH-LJQANCHMSA-N	365.820	4.673	10	1	FJCF	
Cc1cc(Cc2cc(O)c(O)c(O)c2)c2c(C)cc3c(cc1-2)[C@H](C)CO3	15263055	MGCBYGSAWIPHGZ-CYBMUJFWSA-N	350.414	4.612	10	1	FJCF	biogenic
CNC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1	26840239	FTCDBULXSQKVST-UHFFFAOYSA-N	372.428	4.892	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(-c4csc5c4CCOC5)[nH]c3c2)cc1	587032419	USFBYSMACVKAEI-UHFFFAOYSA-N	363.442	4.739	10	1	FJCF	
COC(=O)Cc1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1	587924133	HGQJUVUALKNWTL-UHFFFAOYSA-N	372.515	4.655	10	1	FJCF	
Nc1c(C(=O)O)sc2nc(-c3cccs3)cc(-c3ccccc3)c12	39334799	YLAIQNSWCKTXRM-UHFFFAOYSA-N	352.440	4.972	10	1	FJCF	
COc1ccc2c(Nc3ccc(CC(=O)O)cc3)c3ccccc3nc2c1	26935749	CPRQUNDILTXKHS-UHFFFAOYSA-N	358.397	4.767	10	1	FJCF	
O=NCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3	169722486	MYFGMKSAPPMOSI-CZTZKLFOSA-N	354.494	4.517	10	1	FJCF	
CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2ccc(S(C)(=O)=O)cc12	587649681	ANFBVMVRAQJVAM-UHFFFAOYSA-N	366.486	4.601	10	1	FJCF	
CN(C)c1ccc(N=Nc2ccc(-c3nc4nccc(N)c4[nH]3)cc2)cc1	587195778	MZCSFSQEEUMFHT-UHFFFAOYSA-N	357.421	4.689	10	1	FJCF	
Cc1ccc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O	587822748	QVRBODFHRVANMY-APPDUMDISA-N	364.258	4.534	10	1	FJCF	
Cc1ccc([N+](=O)[O-])c2c(NCCCCCC(=O)O)c3ccccc3nc12	71319417	BKJOPKQJSAIKCA-UHFFFAOYSA-N	367.405	4.662	10	1	FJCF	
OCCc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1	587078176	KAALLTNEWBWIHG-MDOVXXIYSA-N	365.864	4.578	10	1	FJCF	
CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1N=NC(=O)c1ccccc1	253966594	CTNQJSCSMAOUCZ-UHFFFAOYSA-N	372.428	4.974	10	1	FJCF	
COc1cnc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1Cl	587065410	ZHTGEVWKMISJAT-UHFFFAOYSA-N	366.808	4.661	10	1	FJCF	
Nc1ccc(Oc2ccc3[nH]c(-c4ccc(Br)o4)nc3c2)cc1	587006503	LUHXMNHKJKMJLI-UHFFFAOYSA-N	370.206	4.960	10	1	FJCF	
COc1c(F)cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1F	587134844	OQLPOESLBLNXJL-UHFFFAOYSA-N	367.355	4.891	10	1	FJCF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2O)N1	587704122	SICIDBMECWYVAM-VPTHRUTESA-N	370.649	4.571	10	1	FJCF	
CS(=O)(=O)c1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)CCCC1	1857629701	KWEQQTKSVSFAKU-UHFFFAOYSA-N	373.905	4.625	10	1	FJCF	
COc1ccc2c(c1)[C@@]1(CC(=O)CC[C@H]1CCCN=[N+]=[N-])N(C(C)C)CC2	962096857	ZZLWFFYIXFIXPR-UTKZUKDTSA-N	370.497	4.617	10	1	FJCF	
Cc1cnc(SC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1	587535108	IGWQLYMONYFMOQ-LJQANCHMSA-N	359.516	4.847	10	1	FJCF	
Cc1ccc(C)c(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1	587959201	MAEPOJVMSFGGDR-UHFFFAOYSA-N	366.420	4.546	10	1	FJCF	
Cc1c(C)c(N2CCN(c3ccc(F)cc3)CC2)c(C)c2c1OC(C)(C)C2	114335567	GPCQZZDQAGCPSD-UHFFFAOYSA-N	368.496	4.791	10	1	FJCF	
O=C(O)c1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1	26842887	HCXGFUFRKUKXCU-UHFFFAOYSA-N	359.341	4.738	10	1	FJCF	
CCN(CC)c1ccc(/C=C2/SC(Nc3ccccc3C)=NC2=O)cc1	299861071	HROBTROXBDGKCV-XMHGGMMESA-N	365.502	4.924	10	1	FJCF	
Cc1ccc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O	587823354	UJOQUQFLYVGNOU-DIFFPNOSSA-N	364.258	4.534	10	1	FJCF	
CNc1ccc(C(=C2C=CC(N(C)C)C=C2)c2ccc(N(C)C)cc2)cc1	2356830421	JHXZNDZLIAECTR-UHFFFAOYSA-N	359.517	4.652	10	1	FJCF	
O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2ccc(Cl)s2)[nH]n1	617960064	MZFSEGYAHWBIHV-UHFFFAOYSA-N	371.809	4.903	10	1	FJCF	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2F)cc1	96174911	DKWRPEYYWJRYQH-DHDCSXOGSA-N	361.488	4.774	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@](F)(Cl)C(F)(F)F)[nH]c3c2)cc1	587090135	MDFYLPHRWCDLOG-CQSZACIVSA-N	359.710	4.861	10	1	FJCF	
Cc1cc(C)c(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	587822621	PSPQMKJNGZCXAF-PIGZYNQJSA-N	364.258	4.534	10	1	FJCF	
Oc1cc2c(cc1O)[C@@H]1c3sc(C4CCCCC4)cc3CN[C@H]1CC2	13762012	RSAXYFBXTHUFBC-JXFKEZNVSA-N	355.503	4.757	10	1	FJCF	
O=C1C(=C/C=C/c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1	27649370	RUUASTZWROXSLJ-JLHYYAGUSA-N	366.420	4.621	10	1	FJCF	
c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1	53006579	KGIGZIBMXZQUSF-UHFFFAOYSA-N	354.457	4.541	10	1	FJCF	
Cc1ccccc1Sc1ccc(/C=C2\SC(=S)NC2=O)cc1F	96174928	IFPFIIBYFALWBS-DHDCSXOGSA-N	361.488	4.774	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(CCOCc4ccccc4)[nH]c3c2)cc1	587566296	FJVZOXOALHTUDV-UHFFFAOYSA-N	359.429	4.697	10	1	FJCF	
Oc1cc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc(O)c1O	1857553843	WUSJXDAAYAHIHM-UHFFFAOYSA-N	350.399	4.589	10	1	FJCF	
COc1ccc(OC)c(-c2ccc(O)c(CNCC3CCCCC3)c2)c1	45369670	GVLWCTCKJADBIB-UHFFFAOYSA-N	355.478	4.746	10	1	FJCF	
COc1cc2c(O)c(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)C4)ccc2cc1C	95485906	YUXLLXSPQDDOEE-ZIAGYGMSSA-N	363.457	4.830	10	1	FJCF	biogenic,in-vitro
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C)c3[nH]1)[C@@H]1CC=C[C@H]21	587275590	DWDADBFDMCRKIH-MDOVXXIYSA-N	360.417	4.914	10	1	FJCF	
Cc1ccc([C@@H](c2cc([N+](=O)[O-])ccc2O)N2CCc3ccccc32)cc1	1772578714	IKCOFVYDHULPDI-QFIPXVFZSA-N	360.413	4.761	10	1	FJCF	
CCOc1cc(C/N=N/c2nc3ccccc3s2)cc([N+](=O)[O-])c1O	169728222	JUWXKCHVXPONBG-HTXNQAPBSA-N	358.379	4.593	10	1	FJCF	
CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)ncn2)cc1	95578611	GOXJDFAJJRAMNV-YDWXAUTNSA-N	370.500	4.949	10	1	FJCF	
CCN1CCc2cc(-c3ccccc3)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3	43061373	RJCYHSVPFFEYKA-FQEVSTJZSA-N	357.453	4.907	10	1	FJCF	in-vitro
Nc1ccc(Oc2ccc3nc(-c4cc5cc(N)ccc5o4)[nH]c3c2)cc1	587252222	AUNQXZBHIIIQHW-UHFFFAOYSA-N	356.385	4.933	10	1	FJCF	
O=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1ccncc1	18069444	OUVPUWNLMGCFKD-WCWDXBQESA-N	356.385	4.714	10	1	FJCF	
Cc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C	587822832	RKEUMHVDBGMGNJ-VOJFVSQTSA-N	364.258	4.534	10	1	FJCF	
Cc1cc(O)c(CN2CCCCC2)c2c1oc1c3ccccc3oc(=O)c12	1857545571	AKSAHBVAUBOXCZ-UHFFFAOYSA-N	363.413	4.692	10	1	FJCF	
CC(C)(C)c1cc(O)c(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	587531852	IEXYWFADYSSDGK-HXUWFJFHSA-N	366.457	4.981	10	1	FJCF	
Oc1c(OC(F)(F)F)cccc1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21	963096374	NEVKBFAGKCKKBJ-YVEFUNNKSA-N	367.342	4.540	10	1	FJCF	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N(C)C	101825383	HCNMSQSOROVBQU-ZCXUNETKSA-N	374.271	4.689	10	1	FJCF	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(F)c3[nH]1)[C@H]1CC=C[C@H]21	587276327	KPFUAIAAHZZMFS-LXIYXOSZSA-N	364.380	4.745	10	1	FJCF	
O=C1C2=Cc3cc(-c4ccccc4)ccc3OCC2=NN1c1ccccc1	103257041	CMRYSIJQYMGUKL-UHFFFAOYSA-N	352.393	4.532	10	1	FJCF	
Oc1cc2c(c(-c3ccc(Cl)cc3)c1O)CCNC[C@H]2c1ccccc1	40939388	KHKYWHMCFSEBHI-IBGZPJMESA-N	365.860	4.696	10	1	FJCF	
O=C(Cc1cccs1)/N=N/c1c(O)[nH]c2ccc(Br)cc12	101660342	YGYNYYFRFIDTLV-ISLYRVAYSA-N	364.224	4.551	10	1	FJCF	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N\c1ccccc1	102751761	ZYUVFIVPSIFNJP-KTVWJZFRSA-N	361.430	4.685	10	1	FJCF	
Oc1c(OC(F)(F)F)cccc1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21	963096370	NEVKBFAGKCKKBJ-SJCJKPOMSA-N	367.342	4.540	10	1	FJCF	
CCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12	970911	QLLLGTLCYGMVDG-QHCPKHFHSA-N	362.473	4.617	10	3	FJCF	
COc1cc(C)c(-c2ccc3c(c2O)[C@@H](C)N[C@H](C)C3)c2cccc(O)c12	15121560	PBUONONRMDRRLQ-ZIAGYGMSSA-N	363.457	4.830	10	1	FJCF	biogenic,in-vitro
O=C(/N=N\c1c(O)n(Cc2ccccc2)c2ccccc12)c1ccncc1	102760381	OUVPUWNLMGCFKD-VHXPQNKSSA-N	356.385	4.714	10	1	FJCF	
Oc1c(C2=NN[C@@H](c3ccc(Br)cc3)C2)ccc2ccccc12	1857545033	VUSNIMXEFGTMRL-QGZVFWFLSA-N	367.246	4.747	10	1	FJCF	
CCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cn2)cc1	95581579	KOCXUOHJUCUBJW-UHFFFAOYSA-N	358.445	4.604	10	1	FJCF	
CCCC(=O)N[C@@H](c1ccc(SC)cc1)c1ccc2cccnc2c1O	84687616	JTPCTHKCDZTMAB-IBGZPJMESA-N	366.486	4.668	10	1	FJCF	
Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@H](c2ccco2)C1	29045364	SLPNKONWQMCAOD-KRWDZBQOSA-N	363.442	4.533	10	1	FJCF	
Nc1ccc(NC(=O)c2ccc(Nc3ccnc4ccccc34)cc2)cc1	103245319	UCIZEGZPSMUBGV-UHFFFAOYSA-N	354.413	4.813	10	1	FJCF	
CCOC1=C2N=C([C@@H](CC)c3ccc(F)cc3)N=C2C(=O)c2ccccc21	5502276	JAOWQLNBEWEPQB-HNNXBMFYSA-N	362.404	4.774	10	1	FJCF	
Oc1ccc(CCNc2nc3ccccc3c3[nH]c4ccccc4c23)cc1O	45375200	WXKWOYVHNCHUOX-UHFFFAOYSA-N	369.424	4.935	10	1	FJCF	
COc1ccc2c(Nc3ccc(/C=C\C(N)=O)cc3)c3ccccc3nc2c1	201423917	DEHDDUWFRIJPTF-JYRVWZFOSA-N	369.424	4.639	10	1	FJCF	
Nc1ccc(Oc2ccc3nc([C@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)cc1	586884419	HVIILFNAABTGDQ-ILXRZTDVSA-N	359.429	4.576	10	1	FJCF	
C[C@@H]1CCCCN1Cc1c(O)ccc2oc3c4ccccc4oc(=O)c3c12	1857582538	NQUFKSMRMMNWBN-CYBMUJFWSA-N	363.413	4.772	10	1	FJCF	
Oc1ccccc1[C@H]1CC(c2cccs2)=N[C@H](c2ccc(F)cc2)N1	20763513	FLFYYHXWDWKXRS-OXQOHEQNSA-N	352.434	4.815	10	1	FJCF	
CC(C)C[C@H]1c2cc(O)c(O)cc2C=C2c3ccc(O)c(O)c3C=C[C@H]21	85569219	BHKKOZZKVAWHHS-WMLDXEAASA-N	350.414	4.836	10	1	FJCF	biogenic,in-vitro
C=Cc1ccc(N=Nc2ccc(N)c3ccccc23)cc1S(=O)(=O)O	2356828754	IKSAQPWANIOJMG-UHFFFAOYSA-N	353.403	4.727	10	1	FJCF	
CCC(=O)N[C@H](c1cccc(C)c1)c1cc(Cl)c2cccnc2c1O	38141986	HEYSFCDILHYPPF-GOSISDBHSA-N	354.837	4.518	10	1	FJCF	
Oc1c([C@@H](Nc2ncccn2)c2ccccc2)cc(Cl)c2cccnc12	1772655374	VZSDUOWBVDUKPZ-KRWDZBQOSA-N	362.820	4.585	10	1	FJCF	
O=C(O)c1ccc(N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1	253966809	RUFMFHAMRBSSDI-UHFFFAOYSA-N	360.167	4.750	10	1	FJCF	
Cc1cc(C)c(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	587822619	PSPQMKJNGZCXAF-GTNSWQLSSA-N	364.258	4.534	10	1	FJCF	
Nc1nn2c(c1/N=N/c1ccc(/N=N/c3ccccc3)cc1)NC(=O)CC2	45300664	KQRRTWXYRMSNEB-RLPYSRNMSA-N	360.381	4.638	10	1	FJCF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cl)c2O)N1	587694674	PYAXULSLLFGQKH-AYVTZFPOSA-N	370.649	4.571	10	1	FJCF	
Cc1c(-c2ccc(N(C)C)cc2)[nH]c2c1c(Br)cc1n[nH]cc12	587622546	COFYHVBNAMUVNP-UHFFFAOYSA-N	369.266	4.848	10	1	FJCF	
Cc1c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cccc1[N+](=O)[O-]	587261094	SSUDAVCYKFXHIK-UHFFFAOYSA-N	360.373	4.821	10	1	FJCF	
Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccccc2)C1	40867263	CPUSZGGMULHGKM-HXUWFJFHSA-N	373.481	4.940	10	1	FJCF	
COc1cc2c(cc1OC)[C@@](C)(c1cc(C(C)C)ccc1O)N(C)[C@@H](C)C2	962641215	ZLQYVKPYTZPDFI-WNSKOXEYSA-N	369.505	4.673	10	1	FJCF	
COc1cccc(-c2csc(/N=N/Cc3cccc4c3OCO4)n2)c1	169723899	KGAGJZTWLMDQCF-XUTLUUPISA-N	353.403	4.831	10	1	FJCF	
Cc1ccc2c(c1)c1c(n2CCCOc2ccc(Cl)cc2)CNCC1	1857573525	OYBQOKPYSPQQST-UHFFFAOYSA-N	354.881	4.718	10	1	FJCF	
COc1ccc(/C=C2\SC(c3ccc4ccccc4c3)=NC2=O)cc1O	84669953	PPFNBSFSOSDJEE-ODLFYWEKSA-N	361.422	4.615	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c3c2)cc1	587087728	FVIHUUTXIOWPJL-ZDUSSCGKSA-N	370.403	4.687	10	1	FJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccccc3F)c1C)O2	587387153	ZSYKQUIYSSHKHY-OAQYLSRUSA-N	364.420	4.830	10	1	FJCF	
Cc1cc(C)c(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	587820660	DTFQSIUHNOXTKW-GTNSWQLSSA-N	364.258	4.534	10	1	FJCF	
C[C@H]1CCCCN1Cc1c(O)ccc2oc3c4ccccc4oc(=O)c3c12	1857582539	NQUFKSMRMMNWBN-ZDUSSCGKSA-N	363.413	4.772	10	1	FJCF	
Cc1nnc([C@]23CCCC(C)(C)[C@@H]2CCc2cc(C(C)C)c(O)c(O)c23)o1	1857601064	IVDBMLJJYGKQOM-KSFYIVLOSA-N	370.493	4.971	10	1	FJCF	
CC1CCN(Cc2c(O)ccc3oc4c5ccccc5oc(=O)c4c23)CC1	1857563791	UERHUTCOHMHQMH-UHFFFAOYSA-N	363.413	4.630	10	1	FJCF	
COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCN)c2c1	3958313	CVWBTKHKVMYGBH-UHFFFAOYSA-N	357.885	4.981	10	1	FJCF	
Cc1ccc([C@H](c2cc([N+](=O)[O-])ccc2O)N2CCc3ccccc32)cc1	1772578713	IKCOFVYDHULPDI-JOCHJYFZSA-N	360.413	4.761	10	1	FJCF	
O=C(Oc1ccc(-c2cccc3ccccc23)cc1)c1cc(O)c(O)c(O)c1	1857583874	BSICIVACZNJSBN-UHFFFAOYSA-N	372.376	4.843	10	1	FJCF	
CC(=O)OCc1cc(N)cc(Nc2c3ccccc3nc3ccccc23)c1	26978103	FSPNCPDQALQLTA-UHFFFAOYSA-N	357.413	4.777	10	1	FJCF	
O=C1N=C(O)/C(=C/c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1	29127488	OMBDJGNGMHDKGZ-NSIKDUERSA-N	361.184	4.500	10	1	FJCF	
Cc1c(CNc2cccc(Cl)c2)oc2c1C(=O)C(=O)c1ccccc1-2	169353739	UOBQVEQXBFHOIY-UHFFFAOYSA-N	351.789	4.900	10	1	FJCF	
CN(C)c1cc(Nc2ccccc2F)c2c3c(onc13)-c1ccccc1C2=O	1772603506	OTGQQSOJDCIWLD-UHFFFAOYSA-N	373.387	4.988	10	1	FJCF	
COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N[C@@H](C)C4)ccc(OC)c12	2356725133	JLCSNVCXHOXIJC-UONOGXRCSA-N	363.457	4.825	10	1	FJCF	
Nc1ccc(Oc2ccc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c3c2)cc1	586907930	OUADABNNCJSNGN-ZDUSSCGKSA-N	373.412	4.518	10	1	FJCF	
C[C@H](Oc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)C(=O)O	26941022	VJMLHHBJIAIQLB-AWEZNQCLSA-N	358.397	4.984	10	1	FJCF	
Oc1ccc2ccccc2c1[C@H](c1ccc(Cl)cc1)N1CCC(O)CC1	72179776	RLIBSDHDRSOQGY-QFIPXVFZSA-N	367.876	4.745	10	1	FJCF	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)(C)C)cc(O)c1O)CC2=O	587488998	LWLWGUAYKYJGNS-LJQANCHMSA-N	370.445	4.760	10	1	FJCF	
COc1ccc2c(c1)[C@]1(CC=C(C)C)CCN(C)[C@@H]1N2Cc1ccccc1	40845220	JPVMUILNRYSVCX-RPWUZVMVSA-N	362.517	4.971	10	1	FJCF	
COc1cc2c(cc1OC)[C@](C)(c1cc(C(C)C)ccc1O)N(C)[C@@H](C)C2	962641212	ZLQYVKPYTZPDFI-NPMXOYFQSA-N	369.505	4.673	10	1	FJCF	
O=C1c2[nH]c3ccccc3c2C(=O)c2cnc3cc(Cl)c(Cl)cc3c21	2382251387	CARIOPNPFXTZDX-UHFFFAOYSA-N	367.191	4.798	10	1	FJCF	
Cc1c(F)ccc2c1[C@H](c1ccc(C)n1-c1ccc(Cl)cn1)NCC2	962090316	IHRQGGRBZVBLRG-FQEVSTJZSA-N	355.844	4.517	10	1	FJCF	
Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1	587276023	HYPPUZMVJUJEOX-QEEYODRMSA-N	360.417	4.914	10	1	FJCF	
Oc1ccc2oc3c4cccc(F)c4nc(O)c3c2c1CN1CCCCC1	2382249894	HFMMRKMHSSRTHF-UHFFFAOYSA-N	366.392	4.670	10	1	FJCF	
CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc(O)cc3O)C2=C(O)C1	104040540	LNUPJGOTGXHJDV-HXUWFJFHSA-N	350.418	4.969	10	1	FJCF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)cc1C)CC2=O	587474833	KJIPKVJQIWVFPX-QFIPXVFZSA-N	365.473	4.960	10	1	FJCF	
COc1ccc(CCN2CCCn3c4c(c5ccccc53)CCC[C@H]42)cc1	1857633058	XHGPSDINVSLXLT-HSZRJFAPSA-N	360.501	4.976	10	1	FJCF	
CCCCCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O	199509027	ADAANUVXBZWRHW-UHFFFAOYSA-N	354.402	4.830	10	1	FJCF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccccc3F)c1C)O2	587387151	ZSYKQUIYSSHKHY-NRFANRHFSA-N	364.420	4.830	10	1	FJCF	
COc1cc(Cl)cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1O	963108371	NRQUCMVQTQBVTH-OAHLLOKOSA-N	358.652	4.596	10	1	FJCF