smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCOc1c([O-])c2c(=O)cc(-c3ccc(O)c(O)c3)oc2cc1OC	ZINC000026377907	207312789	/nfs/dbraw/zinc/31/27/89/207312789.db2.gz	UJNMXWCGAUALEW-UHFFFAOYSA-N	-1	1	386.400	4.154	1	10		GICFMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1c2cc(Cl)ccc2[nH]c1-c1ccccc1	ZINC000073139398	208033861	/nfs/dbraw/zinc/03/38/61/208033861.db2.gz	NKTYXKDVJOPUEB-UHFFFAOYSA-N	-1	1	381.844	4.243	1	10		GICFMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1c2cc(Cl)ccc2[nH]c1-c1ccccc1	ZINC000073139398	208033864	/nfs/dbraw/zinc/03/38/64/208033864.db2.gz	NKTYXKDVJOPUEB-UHFFFAOYSA-N	-1	1	381.844	4.243	1	10		GICFMM
O=C1[N-]C(=S)NC(=O)C1=Cc1c2cc(Cl)ccc2[nH]c1-c1ccccc1	ZINC000073139398	208033869	/nfs/dbraw/zinc/03/38/69/208033869.db2.gz	NKTYXKDVJOPUEB-UHFFFAOYSA-N	-1	1	381.844	4.243	1	10		GICFMM
O=S(=O)([N-]c1ccc(O)c2ncccc12)c1ccc(-c2ccccc2)cc1	ZINC000066111845	211002864	/nfs/dbraw/zinc/00/28/64/211002864.db2.gz	OQFSPTGJLFPDPM-UHFFFAOYSA-N	-1	1	376.437	4.408	1	10		GICFMM
O=S(=O)([N-]c1ccc(O)c2ccccc12)c1ccc(OC(F)(F)F)cc1	ZINC000015952486	210180234	/nfs/dbraw/zinc/18/02/34/210180234.db2.gz	KECMZASBKJCDSY-UHFFFAOYSA-N	-1	1	383.347	4.245	3	10		GICFMM
O=S(=O)([O-])c1ccc(/N=N/c2nc(C(F)(F)F)c(C(F)(F)F)[nH]2)cc1	ZINC000017176269	210205632	/nfs/dbraw/zinc/20/56/32/210205632.db2.gz	HLYCSXLSVNEJJL-QZQOTICOSA-N	-1	1	388.249	4.109	1	10		GICFMM