smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1)C(=O)ON1C(=O)CCC1=O	ZINC001218416502	1067340745	/nfs/dbraw/zinc/34/07/45/1067340745.db2.gz	ILQLFJQNTZVTBK-BFQNTYOBSA-N	-1	2	452.372	-1.395	20	30		JAEDLM
[NH3+][C@@H](Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1)C(=O)ON1C(=O)CCC1=O	ZINC001218416523	1067340768	/nfs/dbraw/zinc/34/07/68/1067340768.db2.gz	ILQLFJQNTZVTBK-MKBNYLNASA-N	-1	2	452.372	-1.395	20	30		JAEDLM
[NH3+][C@@H](Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1)C(=O)ON1C(=O)CCC1=O	ZINC001218416524	1067340671	/nfs/dbraw/zinc/34/06/71/1067340671.db2.gz	ILQLFJQNTZVTBK-MQIPJXDCSA-N	-1	2	452.372	-1.395	20	30		JAEDLM
[NH3+][C@@H](Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1)C(=O)ON1C(=O)CCC1=O	ZINC001218416525	1067341428	/nfs/dbraw/zinc/34/14/28/1067341428.db2.gz	ILQLFJQNTZVTBK-WQGACYEGSA-N	-1	2	452.372	-1.395	20	30		JAEDLM
Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@@H]3CCN[C@H](C#N)C3)[C@H]2SC1	ZINC001246503827	1067374011	/nfs/dbraw/zinc/37/40/11/1067374011.db2.gz	MSXYVZDIKYNWTL-ZAQLIGFBSA-N	-1	2	479.544	-1.583	20	30		JAEDLM
Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@@H]3CCN[C@H](C#N)C3)[C@H]2SC1	ZINC001246503827	1067373999	/nfs/dbraw/zinc/37/39/99/1067373999.db2.gz	MSXYVZDIKYNWTL-ZAQLIGFBSA-N	-1	2	479.544	-1.583	20	30		JAEDLM
Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@H]3CCN[C@H](C#N)C3)[C@H]2SC1	ZINC001246503828	1067373752	/nfs/dbraw/zinc/37/37/52/1067373752.db2.gz	MSXYVZDIKYNWTL-ZSYFIWHWSA-N	-1	2	479.544	-1.583	20	30		JAEDLM
Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@H]3CCN[C@H](C#N)C3)[C@H]2SC1	ZINC001246503828	1067373746	/nfs/dbraw/zinc/37/37/46/1067373746.db2.gz	MSXYVZDIKYNWTL-ZSYFIWHWSA-N	-1	2	479.544	-1.583	20	30		JAEDLM