smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc2ccc(/C=C/c3cc([O-])c(O)c(I)c3)nc2c1O	ZINC000013807842	563008603	/nfs/dbraw/zinc/00/86/03/563008603.db2.gz	VHVZMHBNQVTTIP-DAFODLJHSA-N	-2	3	449.200	3.825	1	10		IHCFHL
O=C([O-])c1ccc2ccc(/C=C/c3cc(O)c([O-])c(I)c3)nc2c1O	ZINC000013807842	563008602	/nfs/dbraw/zinc/00/86/02/563008602.db2.gz	VHVZMHBNQVTTIP-DAFODLJHSA-N	-2	3	449.200	3.825	1	10		IHCFHL
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(OC)cc3[O-])cs2)cc1	ZINC000003250449	562933342	/nfs/dbraw/zinc/93/33/42/562933342.db2.gz	PRRYYVOHGAYBJR-UHFFFAOYSA-N	-2	3	434.495	3.502	1	10		IHCFHL
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc(O)c([O-])c(O)c1	ZINC000043025527	563117493	/nfs/dbraw/zinc/11/74/93/563117493.db2.gz	HHGPCRCYLMSQBM-UHFFFAOYSA-N	-2	3	434.857	3.510	1	10		IHCFHL
O=S(=O)([N-]c1cc(Sc2nnn[n-]2)c([O-])c2ccccc12)c1ccc(Cl)s1	ZINC000084758022	563179547	/nfs/dbraw/zinc/17/95/47/563179547.db2.gz	LHCVLEPEBGSBIM-UHFFFAOYSA-N	-3	3	439.931	3.725	1	10		IHCFHL
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(F)c([O-])c(F)c3)cc2)cc1	ZINC000064448992	563153483	/nfs/dbraw/zinc/15/34/83/563153483.db2.gz	NGIJPEVBGICFFB-UHFFFAOYSA-N	-2	3	434.420	3.732	1	10		IHCFHL
O=S(=O)([N-]c1cc(Sc2nnn[n-]2)c([O-])c2ccccc12)c1ccc(Cl)cc1	ZINC000084758015	563179518	/nfs/dbraw/zinc/17/95/18/563179518.db2.gz	XMQYZIKDVFNQNP-UHFFFAOYSA-N	-3	3	433.902	3.664	1	10		IHCFHL