smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)S(=O)(=O)CC[N@@H+]1CC[C@H](C[NH3+])C1	ZINC000216877672	167317194	/nfs/dbraw/zinc/31/71/94/167317194.db2.gz	WSLSSTDYMRPUOP-SNVBAGLBSA-N	2	2	234.365	0.090	10	70		BCIELP
CC(C)S(=O)(=O)CC[N@H+]1CC[C@H](C[NH3+])C1	ZINC000216877672	167317197	/nfs/dbraw/zinc/31/71/97/167317197.db2.gz	WSLSSTDYMRPUOP-SNVBAGLBSA-N	2	2	234.365	0.090	10	70		BCIELP
CC(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH3+])C1	ZINC000216877722	167318301	/nfs/dbraw/zinc/31/83/01/167318301.db2.gz	WSLSSTDYMRPUOP-JTQLQIEISA-N	2	2	234.365	0.090	10	70		BCIELP
CC(C)S(=O)(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1	ZINC000216877722	167318302	/nfs/dbraw/zinc/31/83/02/167318302.db2.gz	WSLSSTDYMRPUOP-JTQLQIEISA-N	2	2	234.365	0.090	10	70		BCIELP
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1	ZINC000159732803	172386150	/nfs/dbraw/zinc/38/61/50/172386150.db2.gz	BPZXXJURBMUGKJ-LLVKDONJSA-N	2	2	236.319	0.436	10	70		BCIELP
CN(C)C(=O)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1	ZINC000159732803	172386151	/nfs/dbraw/zinc/38/61/51/172386151.db2.gz	BPZXXJURBMUGKJ-LLVKDONJSA-N	2	2	236.319	0.436	10	70		BCIELP