smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000031871899	563083692	/nfs/dbraw/zinc/08/36/92/563083692.db2.gz	GFUZTMLAILXNER-OWBBTNHHSA-N	-2	0	439.468	1.958	1	10		IDCFRL
COc1c([O-])c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2cc1OS(=O)(=O)[O-]	ZINC000014727316	291323603	/nfs/dbraw/zinc/32/36/03/291323603.db2.gz	AYBWPCJLKMIOED-UHFFFAOYSA-N	-2	0	426.355	1.776	1	10	biogenic,in-vitro	IDCFRL
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000001650483	562923785	/nfs/dbraw/zinc/92/37/85/562923785.db2.gz	NYGWVXFNECLBDK-XUDLPTGHSA-N	-2	0	425.441	1.568	1	10		IDCFRL
O=c1oc2cc(O)c(O)cc2c2c1[n-]c1c2c2cc(OS(=O)(=O)[O-])c(O)cc2oc1=O	ZINC000058568450	563144584	/nfs/dbraw/zinc/14/45/84/563144584.db2.gz	NVCJNQRNOQCIKV-UHFFFAOYSA-N	-2	0	447.333	1.832	1	10		IDCFRL
O=C([O-])CNS(=O)(=O)c1cc(O)c([O-])c2c1CN(Cc1ccc(F)c(Cl)c1)C2=O	ZINC000095563625	563182910	/nfs/dbraw/zinc/18/29/10/563182910.db2.gz	GQOOVRXTBCBZFS-UHFFFAOYSA-N	-2	0	444.824	1.409	1	10		IDCFRL
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000001650481	562923771	/nfs/dbraw/zinc/92/37/71/562923771.db2.gz	NYGWVXFNECLBDK-FSEPTYSPSA-N	-2	0	425.441	1.568	1	10		IDCFRL
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000031871901	563083720	/nfs/dbraw/zinc/08/37/20/563083720.db2.gz	GFUZTMLAILXNER-GXYBQNOFSA-N	-2	0	439.468	1.958	1	10		IDCFRL
O=C([O-])CNC(=O)COc1ccccc1/N=N/c1ccccc1OCC(=O)NCC(=O)[O-]	ZINC000053293371	563141718	/nfs/dbraw/zinc/14/17/18/563141718.db2.gz	FAHVZBKDXQUPDE-WCWDXBQESA-N	-2	0	444.400	1.261	1	10		IDCFRL