smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)S(=O)(=O)CCN	ZINC001156240364	779739918	/nfs/dbraw/zinc/73/99/18/779739918.db2.gz	NHBVTAPDIXIPHI-UHFFFAOYSA-N	1	3	316.343	-1.204	20	5		DABDHO
CN(c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])S(=O)(=O)CCN	ZINC001164292572	776116940	/nfs/dbraw/zinc/11/69/40/776116940.db2.gz	RKGGINMWGIPMJO-UHFFFAOYSA-N	1	3	316.343	-1.204	20	5		DABDHO
NCc1cnnn1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001158420700	779775450	/nfs/dbraw/zinc/77/54/50/779775450.db2.gz	WSESNYAPQSCDDQ-UHFFFAOYSA-N	1	3	305.302	-1.166	20	5		DABDHO