smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cnc(S(=O)(=O)N(CC[NH3+])[C@H]2Cc3cc(C#N)ccc3N(Cc3c[nH+]cn3C)C2)c1	ZINC000028815212	563079300	/nfs/dbraw/zinc/07/93/00/563079300.db2.gz	OAUYYSYZKDAYGW-SFHVURJKSA-N	2	2	454.560	0.606	1	30		JCEFLP
Cn1cnc(S(=O)(=O)N(CC[NH3+])[C@@H]2Cc3cc(C#N)ccc3N(Cc3c[nH+]cn3C)C2)c1	ZINC000028815214	563079289	/nfs/dbraw/zinc/07/92/89/563079289.db2.gz	OAUYYSYZKDAYGW-GOSISDBHSA-N	2	2	454.560	0.606	1	30		JCEFLP
Cn1cnc(S(=O)(=O)N(CCC[NH3+])[C@H]2Cc3cc(C#N)ccc3N(Cc3c[nH+]cn3C)C2)c1	ZINC000028815216	563079271	/nfs/dbraw/zinc/07/92/71/563079271.db2.gz	SDCKPSUUEDKZBG-IBGZPJMESA-N	2	2	468.587	0.996	1	30		JCEFLP
Cn1cnc(S(=O)(=O)N(CCC[NH3+])[C@@H]2Cc3cc(C#N)ccc3N(Cc3c[nH+]cn3C)C2)c1	ZINC000028815218	563079324	/nfs/dbraw/zinc/07/93/24/563079324.db2.gz	SDCKPSUUEDKZBG-LJQANCHMSA-N	2	2	468.587	0.996	1	30		JCEFLP
Cn1c[nH+]cc1CN1C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)CC[NH3+])Cc2cc(C#N)ccc21	ZINC000028815898	563079470	/nfs/dbraw/zinc/07/94/70/563079470.db2.gz	DLWYVRLPEKCAMI-IBGZPJMESA-N	2	2	487.630	0.728	1	30		JCEFLP
Cn1c[nH+]cc1CN1C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)CC[NH3+])Cc2cc(C#N)ccc21	ZINC000028815900	563079500	/nfs/dbraw/zinc/07/95/00/563079500.db2.gz	DLWYVRLPEKCAMI-LJQANCHMSA-N	2	2	487.630	0.728	1	30		JCEFLP