smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)O[C@@H]1c2c(c3c(=O)c4cccc(=O)c-4c([O-])c=3c2=[N+]=N)[C@H](O)[C@@H](OC(C)=O)[C@]1(C)O	ZINC000016346939	563013030	/nfs/dbraw/zinc/01/30/30/563013030.db2.gz	KPVVXTRWIKTJBS-DXBBTUNJSA-N	0	3	454.391	-0.669	1	10	in-vitro	JBCFHN
C[C@H](N)C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@H](C)N)cc1C2=O	ZINC000040873633	563151772	/nfs/dbraw/zinc/15/17/72/563151772.db2.gz	HDFXTITYHSXVMQ-RYUDHWBXSA-N	0	3	494.508	-0.734	1	10		JBCFHN
NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(O)c(O)c1	ZINC000053293684	563205534	/nfs/dbraw/zinc/20/55/34/563205534.db2.gz	FQKQATWJGAMOCY-RXVFXRRZSA-N	0	3	453.459	-0.503	1	10		JBCFHN
NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C=Cc1ccc(O)c(O)c1	ZINC000053293684	563205533	/nfs/dbraw/zinc/20/55/33/563205533.db2.gz	FQKQATWJGAMOCY-RXVFXRRZSA-N	0	3	453.459	-0.503	1	10		JBCFHN