smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]12	ZINC000013557716	581098093	/nfs/dbraw/zinc/09/80/93/581098093.db2.gz	WCLPXKIYRNURPD-KFGODFMUSA-N	1	3	420.558	0.093	1	30		HCEFHO
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2CN1	ZINC000013744131	581097210	/nfs/dbraw/zinc/09/72/10/581097210.db2.gz	YDZKAPODFAOHFP-RZFLPCETSA-N	1	3	420.558	0.093	1	30		HCEFHO
CC[C@@H](C)[C@@H](CN[C@H](C(=O)N[C@H]1CCOC1=O)[C@H](C)CC)NC[C@@H]([NH3+])CS	ZINC000026636828	581099316	/nfs/dbraw/zinc/09/93/16/581099316.db2.gz	SSUQYMRCKYEGEO-IKIFYQGPSA-N	1	3	402.605	0.684	1	30		HCEFHO
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1	ZINC000027517685	581098069	/nfs/dbraw/zinc/09/80/69/581098069.db2.gz	YDZKAPODFAOHFP-ADHGMGHFSA-N	1	3	420.558	0.093	1	30		HCEFHO