smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(=O)c(Sc2c(O)c3ccccc3n(CC)c2=O)c([O-])c2ccccc21	ZINC000103506872	559156008	/nfs/dbraw/zinc/15/60/08/559156008.db2.gz	GISCQVRXTLGWMV-UHFFFAOYSA-N	-1	2	408.479	3.919	40	0		HHABLM
CCOC(=S)[N-]c1ccc(S(=O)(=O)c2ccc(NC(=S)OCC)cc2)cc1	ZINC000001699148	557281407	/nfs/dbraw/zinc/28/14/07/557281407.db2.gz	SWHRVDUBXRCBBQ-UHFFFAOYSA-N	-1	2	424.569	3.986	40	0		HHABLM
Cc1cc(S(=O)(=O)Nc2nnc3ccc4ccccc4n32)c([S-])cc1Cl	ZINC000001650667	557278856	/nfs/dbraw/zinc/27/88/56/557278856.db2.gz	OTNSBJCOIDJKPV-UHFFFAOYSA-N	-1	2	404.904	3.934	40	0		HHABLM
O=C([O-])/C=C/c1c(Br)cc(Br)c(O)c1Br	ZINC000002524650	569284201	/nfs/dbraw/zinc/28/42/01/569284201.db2.gz	OQJKOQDUSPUYTK-OWOJBTEDSA-N	-1	2	400.848	3.778	40	0		HHABLM
COc1ccc(C([O-])=CC(=O)c2c(O)c(Br)c(OC)cc2OC)cc1	ZINC000004715455	557586105	/nfs/dbraw/zinc/58/61/05/557586105.db2.gz	MZWQWWOFHBRQRP-UHFFFAOYSA-N	-1	2	409.232	3.636	40	0		HHABLM
COc1ccc(C(O)=CC(=O)c2c([O-])c(Br)c(OC)cc2OC)cc1	ZINC000004715455	557586107	/nfs/dbraw/zinc/58/61/07/557586107.db2.gz	MZWQWWOFHBRQRP-UHFFFAOYSA-N	-1	2	409.232	3.636	40	0		HHABLM
Cc1cc(S(=O)(=O)Nc2nnc3c4ccccc4ccn23)c([S-])cc1Cl	ZINC000001650665	557278885	/nfs/dbraw/zinc/27/88/85/557278885.db2.gz	UMDVSDCCSPVKBC-UHFFFAOYSA-N	-1	2	404.904	3.934	40	0		HHABLM
O=c1[nH]c2ccccc2c([O-])c1C(c1ccco1)c1c(=O)[nH]c2ccccc2c1O	ZINC000007343683	560750342	/nfs/dbraw/zinc/75/03/42/560750342.db2.gz	LPOCESLQERYBJU-UHFFFAOYSA-N	-1	2	400.390	3.554	40	0		HHABLM