smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=N\N(C)C)cc(/C=[NH+]/N(C)C)c1O	ZINC000006041345	170170785	/nfs/dbraw/zinc/17/07/85/170170785.db2.gz	ZKGVHKYIQOMBMU-DJJIWSAGSA-N	-1	2	264.329	1.192	1	30		CDEFLM
COc1ccccc1C(O)=CC(=O)C=C(O)C(=O)[O-]	ZINC000005889793	170151153	/nfs/dbraw/zinc/15/11/53/170151153.db2.gz	VBMMVOBSMVNEDI-SQXCDDPUSA-N	-1	2	264.233	1.690	1	30		CDEFLM
C/C=N/OCc1cc(O[P@@](=O)([O-])O)ccc1[N+](=O)[O-]	ZINC000071318489	176122008	/nfs/dbraw/zinc/12/20/08/176122008.db2.gz	RBXQBBZBKINETL-WTDSWWLTSA-N	-1	2	290.168	1.589	1	30		CDEFLM
C/C=N/OCc1cc(O[P@](=O)([O-])O)ccc1[N+](=O)[O-]	ZINC000071318489	176122009	/nfs/dbraw/zinc/12/20/09/176122009.db2.gz	RBXQBBZBKINETL-WTDSWWLTSA-N	-1	2	290.168	1.589	1	30		CDEFLM
CC(C)(C)OC(=O)C(C#N)=C(O)c1ccc(C(=O)[O-])[nH]1	ZINC000005950480	170160877	/nfs/dbraw/zinc/16/08/77/170160877.db2.gz	QXZLUBFLEDUMDB-SSDOTTSWSA-N	-1	2	278.264	1.377	1	30		CDEFLM
O=C([O-])C(=O)C=C(O)c1cccn1Cc1ccc(O)cc1	ZINC000005974217	170164949	/nfs/dbraw/zinc/16/49/49/170164949.db2.gz	JLZDHJHNHSOZKN-JYRVWZFOSA-N	-1	2	287.271	1.795	1	30		CDEFLM