smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSC1(CNCC[N+](=O)[O-])CC[NH+](C)CC1	ZINC000905263728	637717474	/nfs/dbraw/zinc/71/74/74/637717474.db2.gz	PASZQHNXEGBHNX-UHFFFAOYSA-N	1	3	247.364	0.680	20	5		BCBDHO
CN(CCCN(C)CC[NH+](C)C)CC[N+](=O)[O-]	ZINC000930500467	639785266	/nfs/dbraw/zinc/78/52/66/639785266.db2.gz	SYFHXNKZYDSKDT-UHFFFAOYSA-N	1	3	246.355	0.078	20	5		BCBDHO
C[N@@H+]1CCC[C@H](CCNCC[N+](=O)[O-])C1	ZINC000905286986	637739285	/nfs/dbraw/zinc/73/92/85/637739285.db2.gz	UXNSLVNLNKHIHE-SNVBAGLBSA-N	1	3	215.297	0.585	20	5		BCBDHO
C[N@H+]1CCC[C@H](CCNCC[N+](=O)[O-])C1	ZINC000905286986	637739290	/nfs/dbraw/zinc/73/92/90/637739290.db2.gz	UXNSLVNLNKHIHE-SNVBAGLBSA-N	1	3	215.297	0.585	20	5		BCBDHO
C[N@@H+]1CCC[C@@H](CCNCC[N+](=O)[O-])C1	ZINC000905286985	637739709	/nfs/dbraw/zinc/73/97/09/637739709.db2.gz	UXNSLVNLNKHIHE-JTQLQIEISA-N	1	3	215.297	0.585	20	5		BCBDHO
C[N@H+]1CCC[C@@H](CCNCC[N+](=O)[O-])C1	ZINC000905286985	637739714	/nfs/dbraw/zinc/73/97/14/637739714.db2.gz	UXNSLVNLNKHIHE-JTQLQIEISA-N	1	3	215.297	0.585	20	5		BCBDHO