smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cc(I)c(OC)cc1Br	ZINC000040571580	208064147	/nfs/dbraw/zinc/06/41/47/208064147.db2.gz	XTRLCRBPQJHWKO-UHFFFAOYSA-N	0	0	384.995	3.239	30	0		GGACRN
CC(C)(C)OC(=O)N1CCn2c(nc(Br)c2Br)C1	ZINC000146894058	1417734075	/nfs/dbraw/zinc/73/40/75/1417734075.db2.gz	CFZJSAPWZWACEE-UHFFFAOYSA-N	0	0	381.068	3.159	30	0		GGACRN
Cc1cc(C)c(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)c(C)c1	ZINC000067800037	207907235	/nfs/dbraw/zinc/90/72/35/207907235.db2.gz	GWTKUYWJURXSDA-UHFFFAOYSA-N	0	0	399.334	3.117	30	0		GGACRN
CC(=O)Nc1cc2c(cc1C(=O)c1cccc(Br)c1)OCCO2	ZINC000004291007	564202596	/nfs/dbraw/zinc/20/25/96/564202596.db2.gz	SLBOGZMDWWMQRY-UHFFFAOYSA-N	0	0	376.206	3.410	30	0		GGACRN
CC(C)(C)OC(=O)N1CCC(n2ccc(I)n2)CC1	ZINC000116584567	564213400	/nfs/dbraw/zinc/21/34/00/564213400.db2.gz	MRCCQLQQQPQFEU-UHFFFAOYSA-N	0	0	377.226	3.060	30	0		GGACRN
COC(=O)c1sc(S(=O)(=O)c2ccc(Cl)cc2)nc1Br	ZINC000015444340	210158450	/nfs/dbraw/zinc/15/84/50/210158450.db2.gz	ODDDYVWYYUWUPU-UHFFFAOYSA-N	0	0	396.671	3.178	30	0		GGACRN
CN(c1ccccc1)S(=O)(=O)c1nc2nc(Cl)nc(Cl)c2s1	ZINC000015444099	221336300	/nfs/dbraw/zinc/33/63/00/221336300.db2.gz	DUWFQWWCJWNHFG-UHFFFAOYSA-N	0	0	375.262	3.218	30	0		GGACRN
Cc1cnc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1	ZINC000028711625	1400188785	/nfs/dbraw/zinc/18/87/85/1400188785.db2.gz	WAAXKNFGOFTGLP-UHFFFAOYSA-N	0	0	394.853	3.312	30	0	in-vitro	GGACRN