smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C[C@@H](O)CN1C(=O)N(CN2C(=O)N(C[C@H](O)C[NH+](C)C)C(=O)C2(C)C)C(C)(C)C1=O	ZINC000001214448	194072303	/nfs/dbraw/zinc/07/23/03/194072303.db2.gz	XJSYKMUTUDIPEM-HUUCEWRRSA-N	1	3	470.571	-1.126	50	0		JAAAHO
CN(C)C[C@H](O)CN1C(=O)N(CN2C(=O)N(C[C@H](O)C[NH+](C)C)C(=O)C2(C)C)C(C)(C)C1=O	ZINC000009057266	554876525	/nfs/dbraw/zinc/87/65/25/554876525.db2.gz	XJSYKMUTUDIPEM-GASCZTMLSA-N	1	3	470.571	-1.126	50	0		JAAAHO
CN(C)C[C@@H](O)CN1C(=O)N(CN2C(=O)N(C[C@@H](O)C[NH+](C)C)C(=O)C2(C)C)C(C)(C)C1=O	ZINC000009057266	554876522	/nfs/dbraw/zinc/87/65/22/554876522.db2.gz	XJSYKMUTUDIPEM-GASCZTMLSA-N	1	3	470.571	-1.126	50	0		JAAAHO
CN(C)C[C@H](O)CN1C(=O)N(CN2C(=O)N(C[C@@H](O)C[NH+](C)C)C(=O)C2(C)C)C(C)(C)C1=O	ZINC000009057268	554876484	/nfs/dbraw/zinc/87/64/84/554876484.db2.gz	XJSYKMUTUDIPEM-GJZGRUSLSA-N	1	3	470.571	-1.126	50	0		JAAAHO
CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000015722323	555957170	/nfs/dbraw/zinc/95/71/70/555957170.db2.gz	YOKXDNNIFSAXBY-QAETUUGQSA-N	1	3	458.604	-1.533	50	0		JAAAHO