smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CSC2=S)[C@H](O)OC(C)(C)C)C1	ZINC001144848760	1070448623	/nfs/dbraw/zinc/44/86/23/1070448623.db2.gz	WDGANYGDAKYXBD-AVVLXZEZSA-N	1	3	462.638	0.142	20	10		JCCDHO
CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CSC2=S)[C@@H](O)OC(C)(C)C)C1	ZINC001144848761	1070448733	/nfs/dbraw/zinc/44/87/33/1070448733.db2.gz	WDGANYGDAKYXBD-HLNSEHPISA-N	1	3	462.638	0.142	20	10		JCCDHO
CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CSC2=S)[C@@H](O)OC(C)(C)C)C1	ZINC001144848762	1070448835	/nfs/dbraw/zinc/44/88/35/1070448835.db2.gz	WDGANYGDAKYXBD-NTLKJNNPSA-N	1	3	462.638	0.142	20	10		JCCDHO
CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CSC2=S)[C@H](O)OC(C)(C)C)C1	ZINC001144848763	1070448679	/nfs/dbraw/zinc/44/86/79/1070448679.db2.gz	WDGANYGDAKYXBD-UCQBOQSVSA-N	1	3	462.638	0.142	20	10		JCCDHO