smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCc2nc(CN(c3ccc(Cl)cc3)S(C)(=O)=O)[n-]c(=O)c2C1	ZINC000216845708	531027571	/nfs/dbraw/zinc/02/75/71/531027571.db2.gz	GKCSWLYWFCOGLD-UHFFFAOYSA-N	0	1	382.873	1.377	40	70		GDIBMN
C[N@H+]1CCc2nc(CN(c3ccc(Cl)cc3)S(C)(=O)=O)[n-]c(=O)c2C1	ZINC000216845708	531027573	/nfs/dbraw/zinc/02/75/73/531027573.db2.gz	GKCSWLYWFCOGLD-UHFFFAOYSA-N	0	1	382.873	1.377	40	70		GDIBMN
O=C(c1cc(-c2ccccc2)[nH]n1)N1CCc2cnc(N3CCOCC3)nc2C1	ZINC000217621579	136203367	/nfs/dbraw/zinc/20/33/67/136203367.db2.gz	UZYOEXDEESXREV-UHFFFAOYSA-N	0	1	390.447	1.902	40	70		GDIBMN
O=C(NC[C@H]1CCCO1)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1	ZINC000217679529	570320070	/nfs/dbraw/zinc/32/00/70/570320070.db2.gz	UEGJVVQPAQWWKI-OVQGTLEDSA-N	0	1	399.535	1.919	40	70		GDIBMN
O=C(NC[C@@H]1CCCO1)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1	ZINC000217679437	570320268	/nfs/dbraw/zinc/32/02/68/570320268.db2.gz	UEGJVVQPAQWWKI-JWWGGVBKSA-N	0	1	399.535	1.919	40	70		GDIBMN