smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=NC(=NNc2cc3c(cc([N+](=O)[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C(CO[P@](=O)([O-])O)=C(C=O)C1=O	ZINC000003995901	552425507	/nfs/dbraw/zinc/42/55/07/552425507.db2.gz	CMVLDSZYDWJTCG-QZQOTICOSA-N	-3	2	606.440	2.488	10	10	in-vitro	KECELL
CC1=NC(=NNc2cc3c(cc([N+](=O)[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C(CO[P@@](=O)([O-])O)=C(C=O)C1=O	ZINC000003995901	552425505	/nfs/dbraw/zinc/42/55/05/552425505.db2.gz	CMVLDSZYDWJTCG-QZQOTICOSA-N	-3	2	606.440	2.488	10	10	in-vitro	KECELL
CC(=O)Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1cccc([P@](=O)([O-])O)c1)C(S(=O)(=O)[O-])=C2	ZINC000100048727	554194110	/nfs/dbraw/zinc/19/41/10/554194110.db2.gz	RXJPLRCBOFBATC-QZQOTICOSA-N	-3	2	545.444	2.216	10	10		KECELL
CC(=O)Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1cccc([P@@](=O)([O-])O)c1)C(S(=O)(=O)[O-])=C2	ZINC000100048727	554194109	/nfs/dbraw/zinc/19/41/09/554194109.db2.gz	RXJPLRCBOFBATC-QZQOTICOSA-N	-3	2	545.444	2.216	10	10		KECELL
CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000169295819	562852413	/nfs/dbraw/zinc/85/24/13/562852413.db2.gz	ZOCKGBMQLCSHFP-VAEXXNFWSA-N	-2	2	723.650	2.462	10	10		KECELL
CC1=NC(=NNc2cc3c(cc([N+](=O)[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C(CO[P@](=O)([O-])O)=C(C=O)C1=O	ZINC000252666844	572273495	/nfs/dbraw/zinc/27/34/95/572273495.db2.gz	CMVLDSZYDWJTCG-UHFFFAOYSA-N	-3	2	606.440	2.488	10	10		KECELL
CC1=NC(=NNc2cc3c(cc([N+](=O)[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C(CO[P@@](=O)([O-])O)=C(C=O)C1=O	ZINC000252666844	572273494	/nfs/dbraw/zinc/27/34/94/572273494.db2.gz	CMVLDSZYDWJTCG-UHFFFAOYSA-N	-3	2	606.440	2.488	10	10		KECELL