smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@](O)(CCO[P@@](=O)([O-])O[P@@](=O)([O-])O)Cc1ccccc1	ZINC000040592744	213356402	/nfs/dbraw/zinc/35/64/02/213356402.db2.gz	BEHOFABYFLFNCX-NSHDSACASA-N	-2	1	340.205	1.597	1	0		EDAFML
C[C@](O)(CCO[P@@](=O)([O-])O[P@](=O)([O-])O)Cc1ccccc1	ZINC000040592744	213356407	/nfs/dbraw/zinc/35/64/07/213356407.db2.gz	BEHOFABYFLFNCX-NSHDSACASA-N	-2	1	340.205	1.597	1	0		EDAFML
O=C([O-])[C@@](Br)(Cc1cnc2ccccn12)[P@@](=O)([O-])O	ZINC000072118246	216012668	/nfs/dbraw/zinc/01/26/68/216012668.db2.gz	GTBITWXVDWEVJW-SNVBAGLBSA-N	-2	1	349.077	1.230	1	0		EDAFML
N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069488184	574416282	/nfs/dbraw/zinc/41/62/82/574416282.db2.gz	MDTPDOZXVAFDIJ-LLVKDONJSA-N	-2	1	333.344	1.304	1	0	endogenous,in-vitro	EDAFML
CCC[C@H](N[C@H]1CCc2ccccc2N(CC(=O)[O-])C1=O)C(=O)[O-]	ZINC000029392089	202185851	/nfs/dbraw/zinc/18/58/51/202185851.db2.gz	VVIRFPRKWLIIJA-STQMWFEESA-N	-2	1	334.372	1.262	1	0		EDAFML
O=C(NCc1ccc(F)cc1F)c1c([O-])c2cccnc2n([O-])c1=O	ZINC000103253103	219276772	/nfs/dbraw/zinc/27/67/72/219276772.db2.gz	OJGJNBQMUGMKTG-UHFFFAOYSA-N	-2	1	347.277	1.548	1	0		EDAFML
N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000038792535	213226230	/nfs/dbraw/zinc/22/62/30/213226230.db2.gz	ARYBUAJCYBUCQJ-GJZGRUSLSA-N	-2	1	344.367	1.144	1	0		EDAFML
O=C1[N-]C(=O)[C@@H](c2ccccc2[N-]S(=O)(=O)c2ccccc2)O1	ZINC000027875194	202161471	/nfs/dbraw/zinc/16/14/71/202161471.db2.gz	BUFBFRKZRMZCAV-CYBMUJFWSA-N	-2	1	332.337	1.795	1	0		EDAFML
C[C@@H](N[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026253592	212512010	/nfs/dbraw/zinc/51/20/10/212512010.db2.gz	LZFZMUMEGBBDTC-YUELXQCFSA-N	-2	1	348.399	1.126	1	0		EDAFML
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069488187	574416308	/nfs/dbraw/zinc/41/63/08/574416308.db2.gz	MDTPDOZXVAFDIJ-NSHDSACASA-N	-2	1	333.344	1.304	1	0	endogenous,in-vitro	EDAFML