smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)c2nc(Br)c(C(=O)Oc3ccccc3)s2)cc1	ZINC000015443482	525634033	/nfs/dbraw/zinc/63/40/33/525634033.db2.gz	DMLXNLISPLZBMJ-UHFFFAOYSA-N	0	0	438.324	4.266	30	0		IIACRN
FC(F)Oc1cc(Br)cc(Br)c1I	ZINC000036532731	556598505	/nfs/dbraw/zinc/59/85/05/556598505.db2.gz	RRNHTAKNPDMWCE-UHFFFAOYSA-N	0	0	427.808	4.418	30	0		IIACRN
COc1cc(Br)c(Cl)c(Br)c1I	ZINC000036532742	556598490	/nfs/dbraw/zinc/59/84/90/556598490.db2.gz	VULXNIRPDVBNFX-UHFFFAOYSA-N	0	0	426.273	4.478	30	0		IIACRN
COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21	ZINC000003927450	557854579	/nfs/dbraw/zinc/85/45/79/557854579.db2.gz	CYHWMBVXXDIZNZ-KRWDZBQOSA-N	0	0	439.313	4.184	30	0	investigational	IIACRN
FC(F)Oc1cc(Br)c(I)c(Br)c1	ZINC000036532732	556598450	/nfs/dbraw/zinc/59/84/50/556598450.db2.gz	ZARAGKIPGYVLAZ-UHFFFAOYSA-N	0	0	427.808	4.418	30	0		IIACRN
Cc1ccc(S(=O)(=O)Nc2cc3c(cc2[C@H](O)c2ccc(Cl)cc2)OCCO3)cc1	ZINC000004244677	568939858	/nfs/dbraw/zinc/93/98/58/568939858.db2.gz	GWJMVYMUPRMFSK-JOCHJYFZSA-N	0	0	445.924	4.302	30	0		IIACRN
Cc1ccc(S(=O)(=O)Nc2cc3c(cc2[C@@H](O)c2ccc(Cl)cc2)OCCO3)cc1	ZINC000004244678	568939875	/nfs/dbraw/zinc/93/98/75/568939875.db2.gz	GWJMVYMUPRMFSK-QFIPXVFZSA-N	0	0	445.924	4.302	30	0		IIACRN
CC(C)c1cccc(C(C)C)c1N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F	ZINC000067800030	556846978	/nfs/dbraw/zinc/84/69/78/556846978.db2.gz	PWGGFUKSXFQZJB-UHFFFAOYSA-N	0	0	441.415	4.439	30	0		IIACRN