smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1nn[nH]n1	ZINC000359784809	438496853	/nfs/dbraw/zinc/49/68/53/438496853.db2.gz	JYQSXUOUILEXTC-UHFFFAOYSA-N	-2	2	329.364	0.773	20	30		ECEDLL
CS(=O)(=O)Nc1nnc(NC(=O)c2ccc(C#N)s2)s1	ZINC000362912793	437761499	/nfs/dbraw/zinc/76/14/99/437761499.db2.gz	NYQBKHFZEGOVFM-UHFFFAOYSA-N	-2	2	329.388	1.095	20	30		ECEDLL
O=S1(=O)NC(=NN=Cc2ccc(-c3nn[nH]n3)o2)c2ccccc21	ZINC000823612890	587734077	/nfs/dbraw/zinc/73/40/77/587734077.db2.gz	FUIKFFKWOILBMF-UHFFFAOYSA-N	-2	2	343.328	0.532	20	30		ECEDLL
N#Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cn1	ZINC000822832950	587682983	/nfs/dbraw/zinc/68/29/83/587682983.db2.gz	JWUVVHJPIIQSPW-UHFFFAOYSA-N	-2	2	343.328	0.640	20	30		ECEDLL
N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cn2)cn1	ZINC000822833853	587682807	/nfs/dbraw/zinc/68/28/07/587682807.db2.gz	XTTYGSDZKGDZEF-UHFFFAOYSA-N	-2	2	328.317	0.329	20	30		ECEDLL