smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO/[NH+]=C\c1cccnc1N1CC[NH+](CCCCN2C(=O)SC3(CCCC3)C2=O)CC1	ZINC000027704373	563045478	/nfs/dbraw/zinc/04/54/78/563045478.db2.gz	SULWINHUDLUHEP-ULJHMMPZSA-N	2	1	445.589	2.972	1	30		IFEFMP
C[N@H+](CCCn1c(N)nc2cc(C#N)ccc21)CCCn1c(N)[nH+]c2cc(C#N)ccc21	ZINC000029403995	563079462	/nfs/dbraw/zinc/07/94/62/563079462.db2.gz	ATWHLYMQEVYIHL-UHFFFAOYSA-N	2	1	427.516	2.706	1	30		IFEFMP
C[N@@H+](CCCn1c(N)nc2cc(C#N)ccc21)CCCn1c(N)[nH+]c2cc(C#N)ccc21	ZINC000029403995	563079464	/nfs/dbraw/zinc/07/94/64/563079464.db2.gz	ATWHLYMQEVYIHL-UHFFFAOYSA-N	2	1	427.516	2.706	1	30		IFEFMP
C[NH+](CCCn1c(N)[nH+]c2cc(C#N)ccc21)CCCn1c(N)[nH+]c2cc(C#N)ccc21	ZINC000029403995	563079466	/nfs/dbraw/zinc/07/94/66/563079466.db2.gz	ATWHLYMQEVYIHL-UHFFFAOYSA-N	3	1	427.516	2.706	1	30		IFEFMP