smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([C@@H](O)[P@](=O)([O-])CC[C@H]([NH3+])C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000043203374	205100889	/nfs/dbraw/zinc/10/08/89/205100889.db2.gz	PEXVMHLARUAHNC-MADCSZMMSA-N	-2	0	364.247	0.372	1	5	in-vitro	FCBFRL
COc1cc([C@H](O)[P@](=O)([O-])CC[C@H]([NH3+])C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000043203375	208303421	/nfs/dbraw/zinc/30/34/21/208303421.db2.gz	PEXVMHLARUAHNC-JVXZTZIISA-N	-2	0	364.247	0.372	1	5	in-vitro	FCBFRL
Cc1c(O)c(=O)c2c(cc([O-])c3c(=O)c4c([O-])cccc4c(=O)c32)c1=O	ZINC000014814490	560226566	/nfs/dbraw/zinc/22/65/66/560226566.db2.gz	LRVJUCBWMNTDLP-UHFFFAOYSA-N	-2	0	350.282	0.888	1	5	in-vitro	FCBFRL
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C(=O)[O-])c3)cc21	ZINC000013445026	211033951	/nfs/dbraw/zinc/03/39/51/211033951.db2.gz	MLIKVWYGUKDINC-UHFFFAOYSA-N	-2	0	374.265	0.172	1	5		FCBFRL
O=C([O-])Cc1cn(-c2cc3nc(C(=O)[O-])c(=O)[nH]c3cc2[N+](=O)[O-])cn1	ZINC000013553639	220073235	/nfs/dbraw/zinc/07/32/35/220073235.db2.gz	DTSNQETVKJSQEE-UHFFFAOYSA-N	-2	0	359.254	0.755	1	5		FCBFRL