smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)C1=C([O-])[C@@H](O)[C@@H]2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O)C1=O	ZINC000005855030	560203731	/nfs/dbraw/zinc/20/37/31/560203731.db2.gz	PVBMPOWPNVAEKO-KAFSRPFYSA-N	-1	2	400.339	0.387	1	30	in-vitro	HCEFLM
COc1cc(O)c2c(c1)cc1c(c2O)C(=O)[C@@]2(O)C(=O)C(=C(C)[O-])C(=O)C[C@@]2(O)C1	ZINC000014293954	560221149	/nfs/dbraw/zinc/22/11/49/560221149.db2.gz	CHBGBJNXHMNLOQ-SFTDATJTSA-N	-1	2	414.366	0.835	1	30	in-vitro	HCEFLM
COc1cc(O)c2c(c1)cc1c(c2O)C(=O)[C@@]2(O)C([O-])=C(C(C)=O)C(=O)C[C@@]2(O)C1	ZINC000014293954	560221148	/nfs/dbraw/zinc/22/11/48/560221148.db2.gz	CHBGBJNXHMNLOQ-SFTDATJTSA-N	-1	2	414.366	0.835	1	30	in-vitro	HCEFLM
COc1cc(O)c2c(c1)cc1c(c2O)C(=O)[C@@]2(O)C(=O)C(C(C)=O)=C([O-])C[C@@]2(O)C1	ZINC000014293954	560221147	/nfs/dbraw/zinc/22/11/47/560221147.db2.gz	CHBGBJNXHMNLOQ-SFTDATJTSA-N	-1	2	414.366	0.835	1	30	in-vitro	HCEFLM