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(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(-c2nn[nH]n2)nc1	ZINC000738137720	945247937	/nfs/dbraw/zinc/24/79/37/945247937.db2.gz	YWOBIZNNBWMUFH-UHFFFAOYSA-N	-2	2	378.179	1.643	20	50		GDGDLL
O=C(NNC(=O)C1CCC1)c1occc1COc1cccc(-c2nn[nH]n2)c1	ZINC000738129751	945204826	/nfs/dbraw/zinc/20/48/26/945204826.db2.gz	IEWXAMATJMVFGO-UHFFFAOYSA-N	-2	2	382.380	1.600	20	50		GDGDLL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)C(F)(F)Oc2ccccc2)cc1	ZINC000738689520	978588577	/nfs/dbraw/zinc/58/85/77/978588577.db2.gz	QVEYXJROXUTUPF-UHFFFAOYSA-N	-2	2	386.332	1.366	20	50		GDGDLL
O=C([O-])c1cccc(S(=O)(=O)[N-]NC(=O)C(F)(F)Oc2ccccc2)c1	ZINC000738689369	978588630	/nfs/dbraw/zinc/58/86/30/978588630.db2.gz	TVBJZNUKLPDTBV-UHFFFAOYSA-N	-2	2	386.332	1.366	20	50		GDGDLL
O=C([O-])c1ccccc1S(=O)(=O)[N-]NC(=O)C(F)(F)Oc1ccccc1	ZINC000740240280	978673213	/nfs/dbraw/zinc/67/32/13/978673213.db2.gz	HDVBRYPYRCDGGF-UHFFFAOYSA-N	-2	2	386.332	1.366	20	50		GDGDLL
O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)N[N-]C(=O)c1ccccn1	ZINC000739453439	978637692	/nfs/dbraw/zinc/63/76/92/978637692.db2.gz	HRNCPVYGPUGQIB-UHFFFAOYSA-N	-2	2	389.311	1.422	20	50		GDGDLL