smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])([O-])[C@@H](O)c1ccc2ccccc2c1	ZINC000028755857	397990522	/nfs/dbraw/zinc/99/05/22/397990522.db2.gz	AMJJLDJPDLKNJA-LLVKDONJSA-N	-2	1	238.179	2.008	50	0	in-vitro	BEAAML
COc1c(Cl)cc([O-])c(Cl)c1C(=O)[O-]	ZINC000002530761	342789553	/nfs/dbraw/zinc/78/95/53/342789553.db2.gz	XYHBJALHMANCCC-UHFFFAOYSA-N	-2	1	237.038	2.406	50	0		BEAAML
O=C([N-]C(=O)C1CCCCC1)c1ccccc1O	ZINC000000157003	187244208	/nfs/dbraw/zinc/24/42/08/187244208.db2.gz	UKLZHMGBGBIUNC-UHFFFAOYSA-N	-2	1	247.294	2.229	50	0		BEAAML
CCc1c(C)[n-]n(-c2ccc(C(=O)[O-])cc2)c1=O	ZINC000004985167	171741828	/nfs/dbraw/zinc/74/18/28/171741828.db2.gz	CVBYMXQHKIRNQZ-UHFFFAOYSA-N	-2	1	246.266	2.147	50	0		BEAAML
O=C([O-])CCc1ccc([O-])c(Cl)c1	ZINC000043476834	384278524	/nfs/dbraw/zinc/27/85/24/384278524.db2.gz	WCFMGDDKGCCBRK-UHFFFAOYSA-N	-2	1	200.621	2.063	50	0		BEAAML
O=C([O-])c1ccccc1C(=O)c1ccc([O-])cc1	ZINC000000394746	342686019	/nfs/dbraw/zinc/68/60/19/342686019.db2.gz	YGTUPRIZNBMOFV-UHFFFAOYSA-N	-2	1	242.230	2.321	50	0		BEAAML
O=P([O-])([O-])[C@H](O)c1ccc2ccccc2c1	ZINC000028755859	397990409	/nfs/dbraw/zinc/99/04/09/397990409.db2.gz	AMJJLDJPDLKNJA-NSHDSACASA-N	-2	1	238.179	2.008	50	0	in-vitro	BEAAML
CCCc1cc(=O)n(-c2cccc(C(=O)[O-])c2)[n-]1	ZINC000000619797	342691099	/nfs/dbraw/zinc/69/10/99/342691099.db2.gz	OEGWWGDLMDYAAN-UHFFFAOYSA-N	-2	1	246.266	2.278	50	0		BEAAML
O=C(c1ccc(O)cc1O)c1ccccc1F	ZINC000032502191	372200210	/nfs/dbraw/zinc/20/02/10/372200210.db2.gz	PFRNIAXGPNTGEG-UHFFFAOYSA-N	-2	1	232.210	2.468	50	0		BEAAML
CCCP(=O)([O-])O[P@@](=O)([O-])CCC	ZINC000002516975	342722270	/nfs/dbraw/zinc/72/22/70/342722270.db2.gz	MNGBGMIBJMKFMJ-UHFFFAOYSA-N	-2	1	230.137	2.194	50	0		BEAAML
CCc1c(C)[n-]n(-c2cccc(C(=O)[O-])c2)c1=O	ZINC000004520325	342748497	/nfs/dbraw/zinc/74/84/97/342748497.db2.gz	ZFDSDXRJWFPDBM-UHFFFAOYSA-N	-2	1	246.266	2.147	50	0		BEAAML
CCc1c(C)[n-]n(-c2cccc(C(=O)[O-])c2)c1=O	ZINC000103515943	410901229	/nfs/dbraw/zinc/90/12/29/410901229.db2.gz	YFTUMRAQSVSEGP-NSHDSACASA-N	-2	1	246.266	2.134	50	0		BEAAML
CCc1c(C)[n-]n(-c2cccc(C(=O)[O-])c2)c1=O	ZINC000103515941	410900139	/nfs/dbraw/zinc/90/01/39/410900139.db2.gz	YFTUMRAQSVSEGP-LLVKDONJSA-N	-2	1	246.266	2.134	50	0		BEAAML