smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=C([O-])c1ccc(Cl)cc1	ZINC000100404960	559134905	/nfs/dbraw/zinc/13/49/05/559134905.db2.gz	RFWZWFKCFGNQBD-YPKPFQOOSA-N	-2	0	421.634	3.655	2	0		HHAFRL
C/C(=C\[C@H](C)Cc1ccccc1)CCCCC[C@@H](C(=O)[O-])[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000003802394	560189505	/nfs/dbraw/zinc/18/95/05/560189505.db2.gz	NLNJIEVMUWDLAZ-FZALSSRISA-N	-3	0	420.502	3.753	1	0	in-vitro	HHAFRL
C/C(=C\[C@H](C)Cc1ccccc1)CCCCC[C@H](C(=O)[O-])[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000013368362	560215085	/nfs/dbraw/zinc/21/50/85/560215085.db2.gz	NLNJIEVMUWDLAZ-NZYMUKNISA-N	-3	0	420.502	3.753	1	0	in-vitro	HHAFRL
COc1ccnc(C(=O)Nc2ccccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1	ZINC000013587605	581099629	/nfs/dbraw/zinc/09/96/29/581099629.db2.gz	JRTFNBZVKJXAET-UHFFFAOYSA-N	-2	0	408.366	3.531	1	0		HHAFRL
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=C([O-])c1ccc(Cl)cc1	ZINC000100404957	559134866	/nfs/dbraw/zinc/13/48/66/559134866.db2.gz	RFWZWFKCFGNQBD-BUHFOSPRSA-N	-2	0	421.634	3.655	2	0		HHAFRL
C/C(=C\CO[P@](=O)([O-])OP(=O)([O-])[O-])CC/C=C(\C)CNc1ccccc1	ZINC000013916185	560221014	/nfs/dbraw/zinc/22/10/14/560221014.db2.gz	HODAIPJPJAZJEY-GGQZXFEVSA-N	-3	0	405.324	3.998	1	0	in-vitro	HHAFRL