smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C[C@@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000001532855	560181861	/nfs/dbraw/zinc/18/18/61/560181861.db2.gz	PPQRONHOSHZGFQ-WISUUJSJSA-N	-1	2	230.109	-2.623	1	30	in-vitro	BAEFLM
O=C[C@@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000001532855	560181859	/nfs/dbraw/zinc/18/18/59/560181859.db2.gz	PPQRONHOSHZGFQ-WISUUJSJSA-N	-1	2	230.109	-2.623	1	30	in-vitro	BAEFLM
O=C[C@@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003869427	560190503	/nfs/dbraw/zinc/19/05/03/560190503.db2.gz	PPQRONHOSHZGFQ-UOWFLXDJSA-N	-1	2	230.109	-2.623	1	30	in-vitro	BAEFLM
O=C[C@@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003869427	560190502	/nfs/dbraw/zinc/19/05/02/560190502.db2.gz	PPQRONHOSHZGFQ-UOWFLXDJSA-N	-1	2	230.109	-2.623	1	30	in-vitro	BAEFLM
NC(=[NH2+])NC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000005829414	181322939	/nfs/dbraw/zinc/32/29/39/181322939.db2.gz	ZZRSCRSCOGNYOD-UHFFFAOYSA-N	-1	2	233.057	-2.101	1	30		BAEFLM
NC(=[NH2+])NC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000005829414	181322937	/nfs/dbraw/zinc/32/29/37/181322937.db2.gz	ZZRSCRSCOGNYOD-UHFFFAOYSA-N	-1	2	233.057	-2.101	1	30		BAEFLM
O=C(CO[P@@](=O)([O-])O)N(O)CCCO	ZINC000064437140	182000403	/nfs/dbraw/zinc/00/04/03/182000403.db2.gz	IBLNNYVSIPKXRB-UHFFFAOYSA-N	-1	2	229.125	-1.304	1	30		BAEFLM
C[S@@+](N)(=O)CC[C@H]([NH3+])[P@](=O)([O-])O	ZINC000102967412	188324074	/nfs/dbraw/zinc/32/40/74/188324074.db2.gz	ANYGMAGILNQIEA-LJEIHNFPSA-O	-1	2	217.207	-1.158	1	30		BAEFLM
C[S@@+](N)(=O)CC[C@H]([NH3+])[P@@](=O)([O-])O	ZINC000102967412	188324072	/nfs/dbraw/zinc/32/40/72/188324072.db2.gz	ANYGMAGILNQIEA-LJEIHNFPSA-O	-1	2	217.207	-1.158	1	30		BAEFLM
C[S@+](N)(=O)CC[C@H]([NH3+])[P@](=O)([O-])O	ZINC000102967414	187291357	/nfs/dbraw/zinc/29/13/57/187291357.db2.gz	ANYGMAGILNQIEA-BAVBESHTSA-O	-1	2	217.207	-1.158	1	30		BAEFLM
C[S@+](N)(=O)CC[C@H]([NH3+])[P@@](=O)([O-])O	ZINC000102967414	187291356	/nfs/dbraw/zinc/29/13/56/187291356.db2.gz	ANYGMAGILNQIEA-BAVBESHTSA-O	-1	2	217.207	-1.158	1	30		BAEFLM
NC1=CC=C[C@@H](N)N1OS(=O)(=O)[O-]	ZINC000205468555	388585163	/nfs/dbraw/zinc/58/51/63/388585163.db2.gz	TVBJHVSIXKFWSU-BYPYZUCNSA-N	-1	2	207.211	-1.323	2	30		BAEFLM
NC1=NC(=O)C[C@@H](N)N1OS(=O)(=O)[O-]	ZINC000205479995	388585173	/nfs/dbraw/zinc/58/51/73/388585173.db2.gz	ULFHDTFYISXAQN-REOHCLBHSA-N	-1	2	224.198	-1.965	2	30		BAEFLM