smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1[O-]	ZINC000218360752	569457098	/nfs/dbraw/zinc/45/70/98/569457098.db2.gz	WWQJCOWKOFBPAG-CQSZACIVSA-N	-1	3	425.403	3.444	50	70		IGIAHM
CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)NCCn1ccc2ccc(Cl)cc21	ZINC000218169534	557180864	/nfs/dbraw/zinc/18/08/64/557180864.db2.gz	PBQXCDYOHSFOFX-UHFFFAOYSA-N	-1	3	444.944	3.437	50	70		IGIAHM
COC(=O)C[C@@H](c1cc2c(c(Cl)c1)OCO2)c1oc(CN2CCCCC2)cc(=O)c1[O-]	ZINC000218183038	557181202	/nfs/dbraw/zinc/18/12/02/557181202.db2.gz	MWBBRYHBIFNWIY-HNNXBMFYSA-N	-1	3	449.887	3.408	50	70		IGIAHM
Cc1cc(-c2ccncc2)nn1CC[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000217871466	569454346	/nfs/dbraw/zinc/45/43/46/569454346.db2.gz	LXMSCUIPTULBQA-UHFFFAOYSA-N	-1	3	427.349	3.056	50	70		IGIAHM
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1	ZINC000218232787	557183706	/nfs/dbraw/zinc/18/37/06/557183706.db2.gz	URQLHHFZAASBFY-KRWDZBQOSA-N	-1	3	435.436	3.003	50	70		IGIAHM
COC(=O)C[C@H](c1cc2c(c(Cl)c1)OCO2)c1oc(CN2CCCCC2)cc(=O)c1[O-]	ZINC000218182961	557181127	/nfs/dbraw/zinc/18/11/27/557181127.db2.gz	MWBBRYHBIFNWIY-OAHLLOKOSA-N	-1	3	449.887	3.408	50	70		IGIAHM
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1	ZINC000218232725	557183790	/nfs/dbraw/zinc/18/37/90/557183790.db2.gz	URQLHHFZAASBFY-QGZVFWFLSA-N	-1	3	435.436	3.003	50	70		IGIAHM
COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1[O-]	ZINC000218360847	569457083	/nfs/dbraw/zinc/45/70/83/569457083.db2.gz	WWQJCOWKOFBPAG-AWEZNQCLSA-N	-1	3	425.403	3.444	50	70		IGIAHM