smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@@H]1C[C@@H](O)[C@@H](N)C[C@@H]1[NH3+]	40479427	169160680	/nfs/dbraw/zinc/16/06/80/169160680.db2.gz	DFHXGRZSKZZGPA-DPYQTVNSSA-N	1	3	173.216	-2.103	1	0		AAAFHO
NC(=O)[C@H]1C[C@H](O)[C@@H](N)C[C@H]1[NH3+]	27073208	169163844	/nfs/dbraw/zinc/16/38/44/169163844.db2.gz	DFHXGRZSKZZGPA-FSIIMWSLSA-N	1	3	173.216	-2.103	1	0		AAAFHO
NC(=O)[C@H]1C[C@H](O)[C@@H](N)C[C@@H]1[NH3+]	27073216	169163896	/nfs/dbraw/zinc/16/38/96/169163896.db2.gz	DFHXGRZSKZZGPA-BXKVDMCESA-N	1	3	173.216	-2.103	1	0		AAAFHO
NC(=O)[C@H]1C[C@@H](O)[C@@H](N)C[C@@H]1[NH3+]	40479424	169163932	/nfs/dbraw/zinc/16/39/32/169163932.db2.gz	DFHXGRZSKZZGPA-OMMKOOBNSA-N	1	3	173.216	-2.103	1	0		AAAFHO
NC(=O)[C@H]1C[C@H](O)[C@H](N)C[C@@H]1[NH3+]	27073215	169164265	/nfs/dbraw/zinc/16/42/65/169164265.db2.gz	DFHXGRZSKZZGPA-AZGQCCRYSA-N	1	3	173.216	-2.103	1	0		AAAFHO
NC(=O)[C@H]1C[C@H](O)[C@H](N)C[C@H]1[NH3+]	27073201	169164275	/nfs/dbraw/zinc/16/42/75/169164275.db2.gz	DFHXGRZSKZZGPA-KCDKBNATSA-N	1	3	173.216	-2.103	1	0		AAAFHO
NCC1=CC[C@@H]([NH3+])[C@@H](O)O1	13438879	560216840	/nfs/dbraw/zinc/21/68/40/560216840.db2.gz	GBOGEEQLPKNDRP-RITPCOANSA-N	1	3	144.174	-1.105	1	0	in-vitro	AAAFHO