smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(CO)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12	ZINC000014758547	560225481	/nfs/dbraw/zinc/22/54/81/560225481.db2.gz	NWYYMLNNXGJOKK-UHFFFAOYSA-N	0	2	316.265	1.775	1	10	in-vitro	DDCFLN
COc1ccc(C(=O)C(=O)c2cc3c(cc2O)OCO3)c(O)c1	ZINC000015113693	560228390	/nfs/dbraw/zinc/22/83/90/560228390.db2.gz	LIBXIJWGDDLJBP-UHFFFAOYSA-N	0	2	316.265	1.901	1	10	biogenic,in-vitro	DDCFLN
COc1cc2c(c(OC)c1O)C(=O)c1ccc(O)cc1C2=O	ZINC000014725218	560225110	/nfs/dbraw/zinc/22/51/10/560225110.db2.gz	ZOTYVTMFTQVAFY-UHFFFAOYSA-N	0	2	300.266	1.890	1	10	biogenic,in-vitro	DDCFLN
Cc1cc(C)c(C2C(=O)N3CCS(=O)CCN3C2=O)c(C)c1	ZINC000103274806	193926237	/nfs/dbraw/zinc/92/62/37/193926237.db2.gz	KQSFLGOSEJKEKP-UHFFFAOYSA-N	0	2	320.414	1.044	1	10		DDCFLN
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)c(O)c(O)c21	ZINC000014645987	560101276	/nfs/dbraw/zinc/10/12/76/560101276.db2.gz	BIDDAFIPYBBDES-UHFFFAOYSA-N	0	2	302.238	1.988	1	10	endogenous,in-man	DDCFLN
Cc1cc(C)c(C2C(=O)N3CCOCCN3C2=O)c(C2CC2)c1	ZINC000103170176	185436719	/nfs/dbraw/zinc/43/67/19/185436719.db2.gz	BUAINZNJXJIWBC-UHFFFAOYSA-N	0	2	314.385	1.880	1	10		DDCFLN
COCc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=O	ZINC000014811243	560226408	/nfs/dbraw/zinc/22/64/08/560226408.db2.gz	UTXDNFSXFFFWGI-UHFFFAOYSA-N	0	2	300.266	1.725	1	10	biogenic,in-vitro	DDCFLN