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-])(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[n-]n1)Oc1ccccc1	ZINC000029326156	563077997	/nfs/dbraw/zinc/07/79/97/563077997.db2.gz	PFPVFUBQMWFXDN-NRFANRHFSA-N	-2	1	435.424	3.962	1	0		IHAFML
O=c1[nH]c2cccc([C@@H](NC(c3ccccc3)c3ccccc3)P(=O)([O-])[O-])c2[nH]c1=O	ZINC000013440513	562986212	/nfs/dbraw/zinc/98/62/12/562986212.db2.gz	JWROJMWCABTNDS-QFIPXVFZSA-N	-2	1	437.392	3.597	1	0		IHAFML
CCCOc1cccc(-c2ccc(CCC[C@H]([P@](=O)([O-])O)S(=O)(=O)[O-])cc2)c1	ZINC000040866521	563108811	/nfs/dbraw/zinc/10/88/11/563108811.db2.gz	LCVHMLWCRKMTRB-LJQANCHMSA-N	-2	1	428.443	3.857	1	0		IHAFML
O=C([O-])[C@H](CCCCc1cccc2cncn21)CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-]	ZINC000013525515	562991614	/nfs/dbraw/zinc/99/16/14/562991614.db2.gz	ASPNODBVPHUNLM-VGSWGCGISA-N	-2	1	449.507	3.571	1	0		IHAFML
O=C([O-])[C@@H](CCCCc1cccc2cncn21)CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-]	ZINC000013525511	562991609	/nfs/dbraw/zinc/99/16/09/562991609.db2.gz	ASPNODBVPHUNLM-JTSKRJEESA-N	-2	1	449.507	3.571	1	0		IHAFML
O=[P@]([O-])(O)[C@@H](CCCc1cccc(Oc2ccc3occc3c2)c1)S(=O)(=O)[O-]	ZINC000040421876	563102320	/nfs/dbraw/zinc/10/23/20/563102320.db2.gz	ILJWMHLLBUNHIQ-GOSISDBHSA-N	-2	1	426.383	3.939	1	0	in-vitro	IHAFML
CCCOc1cccc(-c2ccc(CCC[C@@H]([P@](=O)([O-])O)S(=O)(=O)[O-])cc2)c1	ZINC000040866519	563108797	/nfs/dbraw/zinc/10/87/97/563108797.db2.gz	LCVHMLWCRKMTRB-IBGZPJMESA-N	-2	1	428.443	3.857	1	0		IHAFML
COc1c2c(c([O-])c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@@H]2SCCC(=O)[O-]	ZINC000038147688	563096424	/nfs/dbraw/zinc/09/64/24/563096424.db2.gz	VUSBYVLPNZQPMU-JOCHJYFZSA-N	-2	1	442.468	3.951	1	0		IHAFML
O=C([O-])c1nc(-c2sccc2NC(=O)OCc2cccc3ccccc32)[nH]c(=O)c1[O-]	ZINC000003583364	562936572	/nfs/dbraw/zinc/93/65/72/562936572.db2.gz	NTOYGPPDORIXJW-UHFFFAOYSA-N	-2	1	437.433	3.804	1	0		IHAFML
O=c1[nH]c2cccc([C@H](NC(c3ccccc3)c3ccccc3)P(=O)([O-])[O-])c2[nH]c1=O	ZINC000013440511	562986242	/nfs/dbraw/zinc/98/62/42/562986242.db2.gz	JWROJMWCABTNDS-JOCHJYFZSA-N	-2	1	437.392	3.597	1	0		IHAFML
COc1c2c(c([O-])c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@H]2SCCC(=O)[O-]	ZINC000038147687	563096362	/nfs/dbraw/zinc/09/63/62/563096362.db2.gz	VUSBYVLPNZQPMU-QFIPXVFZSA-N	-2	1	442.468	3.951	1	0		IHAFML
O=[P@]([O-])(O)[C@H](CCCc1cccc(Oc2ccc3occc3c2)c1)S(=O)(=O)[O-]	ZINC000040421874	563102302	/nfs/dbraw/zinc/10/23/02/563102302.db2.gz	ILJWMHLLBUNHIQ-SFHVURJKSA-N	-2	1	426.383	3.939	1	0	in-vitro	IHAFML