smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C(C(=O)OCC)S(C)(=O)=O	ZINC000001631787	170185565	/nfs/dbraw/zinc/18/55/65/170185565.db2.gz	JMCQBFCJYBBIQL-UHFFFAOYSA-N	0	2	238.261	-0.474	1	0		BBAFLN
Cc1nc2c(=O)[nH]c(=O)nc-2n(CCO)c1C	ZINC000001857651	180060115	/nfs/dbraw/zinc/06/01/15/180060115.db2.gz	YFLJDQVSXQDXCY-UHFFFAOYSA-N	0	2	236.231	-0.959	1	0		BBAFLN
CO[C@]([NH3+])(O)n1ccc2cc(C(=O)[O-])cnc21	ZINC000205428236	347442927	/nfs/dbraw/zinc/44/29/27/347442927.db2.gz	PSXUAODCCJAHRJ-JTQLQIEISA-N	0	2	237.215	-0.100	2	0		BBAFLN
CO[C@@]([NH3+])(O)n1ccc2cc(C(=O)[O-])cnc21	ZINC000205428247	347442856	/nfs/dbraw/zinc/44/28/56/347442856.db2.gz	PSXUAODCCJAHRJ-SNVBAGLBSA-N	0	2	237.215	-0.100	2	0		BBAFLN
O=CN[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-]	ZINC000306121463	182853809	/nfs/dbraw/zinc/85/38/09/182853809.db2.gz	HDDJENRWIFCJPY-NSHDSACASA-N	0	2	232.239	-0.940	2	0		BBAFLN