smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1ccc([O-])c(O)c1)c1c(Cl)c(O)c([O-])c(O)c1Cl	ZINC000053294284	214175605	/nfs/dbraw/zinc/17/56/05/214175605.db2.gz	KTADQKZWMKTJIN-UHFFFAOYSA-N	-2	3	331.107	2.752	1	10		EFCFHL
COc1ccc(-c2oc3cc(OC)c(O)c(=O)c-3c([O-])c2[O-])cc1	ZINC000006018461	560204455	/nfs/dbraw/zinc/20/44/55/560204455.db2.gz	JLFOFYBNCNKHOL-UHFFFAOYSA-N	-2	3	330.292	2.594	1	10	biogenic,in-vitro	EFCFHL
COc1cc(-c2cc(=O)c3ccc([O-])c(O)c3o2)cc(OC)c1[O-]	ZINC000040421379	213301691	/nfs/dbraw/zinc/30/16/91/213301691.db2.gz	MYEARWVJGJSPPI-UHFFFAOYSA-N	-2	3	330.292	2.594	1	10		EFCFHL
COc1c([O-])ccc2c(=O)c(OC)c(-c3ccc([O-])c(O)c3)oc21	ZINC000014644621	560223609	/nfs/dbraw/zinc/22/36/09/560223609.db2.gz	LLXQONIKJLTKCF-UHFFFAOYSA-N	-2	3	330.292	2.594	1	10	in-vitro	EFCFHL
CCCCc1c(C(=O)[O-])c(O)cc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000013380594	201057690	/nfs/dbraw/zinc/05/76/90/201057690.db2.gz	JEIGNBBMWSECEL-UHFFFAOYSA-N	-2	3	340.331	2.914	1	10		EFCFHL
COc1c(=O)c2c([O-])c(C)c([O-])cc2oc1Oc1ccc(O)c(O)c1	ZINC000095486285	560061510	/nfs/dbraw/zinc/06/15/10/560061510.db2.gz	SBASXXFQFBEOGE-UHFFFAOYSA-N	-2	3	346.291	2.725	1	10	biogenic,in-vitro	EFCFHL
O=C([O-])c1ccc2ccc(/C=C/c3ccc(O)c([O-])c3O)nc2c1O	ZINC000071295042	203091368	/nfs/dbraw/zinc/09/13/68/203091368.db2.gz	QDJILHXEUOUJEX-QHHAFSJGSA-N	-2	3	339.303	2.926	1	10		EFCFHL
COc1c([O-])c(O)c(OC)c2c(=O)cc(-c3ccc([O-])cc3)oc12	ZINC000095099452	560062307	/nfs/dbraw/zinc/06/23/07/560062307.db2.gz	CCWULBVFGQYUNN-UHFFFAOYSA-N	-2	3	330.292	2.594	1	10	biogenic,in-vitro	EFCFHL
O=C([O-])c1ccc([O-])c(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)c1	ZINC000035962272	213052803	/nfs/dbraw/zinc/05/28/03/213052803.db2.gz	AEGDYADXTPTSAK-SDQBBNPISA-N	-3	3	331.305	2.674	1	10		EFCFHL