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(NCCC[NH2+]CCCNC(=O)c1ccc(/C=N/O)nc1)c1ccc(/C=N/[O-])nc1	ZINC000008739272	556205867	/nfs/dbraw/zinc/20/58/67/556205867.db2.gz	XMDFFSRFGLIPRG-BMNRKXRESA-N	0	3	427.465	0.622	50	30		ICEAHN
CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC000014540978	568826346	/nfs/dbraw/zinc/82/63/46/568826346.db2.gz	ICOBJDPHKWUDQT-UHFFFAOYSA-N	0	3	426.517	0.913	50	30		ICEAHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC000048253227	557052494	/nfs/dbraw/zinc/05/24/94/557052494.db2.gz	KDOGMDWHIWZOMP-RTBURBONSA-N	0	3	432.546	0.484	50	30		ICEAHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC000048253229	557052503	/nfs/dbraw/zinc/05/25/03/557052503.db2.gz	KDOGMDWHIWZOMP-RBUKOAKNSA-N	0	3	432.546	0.484	50	30		ICEAHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC000048253231	557052409	/nfs/dbraw/zinc/05/24/09/557052409.db2.gz	KDOGMDWHIWZOMP-MOPGFXCFSA-N	0	3	432.546	0.484	50	30		ICEAHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC000048253233	557052455	/nfs/dbraw/zinc/05/24/55/557052455.db2.gz	KDOGMDWHIWZOMP-OALUTQOASA-N	0	3	432.546	0.484	50	30		ICEAHN