smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSSCCNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000701803222	954888748	/nfs/dbraw/zinc/88/87/48/954888748.db2.gz	XYXSDAVSLOUHFH-UHFFFAOYSA-N	-1	0	279.383	0.995	10	50		CCGERM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC(Cl)Cl	ZINC000689199212	954643706	/nfs/dbraw/zinc/64/37/06/954643706.db2.gz	BEAPMHURMWBUCD-YFKPBYRVSA-N	-1	0	291.156	0.174	10	50		CCGERM
CO[C@]1(C(=O)[O-])CCN(C(=O)NCCSSC)C1	ZINC000704138582	977217999	/nfs/dbraw/zinc/21/79/99/977217999.db2.gz	JSOMGASZHXSOGV-SNVBAGLBSA-N	-1	0	294.398	0.883	10	50		CCGERM
CO[C@@]1(C(=O)[O-])CCN(C(=O)NCCSSC)C1	ZINC000704138581	977218577	/nfs/dbraw/zinc/21/85/77/977218577.db2.gz	JSOMGASZHXSOGV-JTQLQIEISA-N	-1	0	294.398	0.883	10	50		CCGERM
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC(Cl)Cl)C1	ZINC000712810402	977601135	/nfs/dbraw/zinc/60/11/35/977601135.db2.gz	DITWIZXGKVDSCD-RITPCOANSA-N	-1	0	290.168	0.963	10	50		CCGERM