smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(N)c(C(=O)c2ccc(Cl)cc2Cl)cc1OC	ZINC000004245247	210151155	/nfs/dbraw/zinc/15/11/55/210151155.db2.gz	IUJUUOUUFCGNNI-UHFFFAOYSA-N	0	0	326.179	3.824	30	0		EHACRN
O=[S@@](Cc1cc(Cl)cc(Cl)c1)c1nc(Cl)ns1	ZINC000004290529	210161818	/nfs/dbraw/zinc/16/18/18/210161818.db2.gz	LYMHVKOYAIMSRT-QGZVFWFLSA-N	0	0	327.645	3.806	30	0		EHACRN
COc1cc(NC(C)=O)c(C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000004291019	210161795	/nfs/dbraw/zinc/16/17/95/210161795.db2.gz	DFCPCZYAJGZMLV-UHFFFAOYSA-N	0	0	333.771	3.547	30	0		EHACRN
Fc1cc(I)cc(Cl)c1Br	ZINC000219033949	564128904	/nfs/dbraw/zinc/12/89/04/564128904.db2.gz	XCVDCGMALCUQDE-UHFFFAOYSA-N	0	0	335.341	3.846	30	0		EHACRN
O=[S@@](Cc1ccc(Cl)c(Cl)c1)c1nc(Cl)ns1	ZINC000004290512	210162678	/nfs/dbraw/zinc/16/26/78/210162678.db2.gz	CBXXZAKQGHHWFQ-QGZVFWFLSA-N	0	0	327.645	3.806	30	0		EHACRN
COC(=O)c1cc(Cl)c(Br)c(Br)c1	ZINC000036532939	213099629	/nfs/dbraw/zinc/09/96/29/213099629.db2.gz	MJJJFGFUOKAVAN-UHFFFAOYSA-N	0	0	328.387	3.652	30	0		EHACRN
CCOC(=O)c1cc(F)c(Br)c(Br)c1	ZINC000036532936	213099896	/nfs/dbraw/zinc/09/98/96/213099896.db2.gz	QQHFPRFYZUWPON-UHFFFAOYSA-N	0	0	325.959	3.527	30	0		EHACRN
O=[S@](Cc1ccc(Cl)c(Cl)c1)c1nc(Cl)ns1	ZINC000004290511	210162269	/nfs/dbraw/zinc/16/22/69/210162269.db2.gz	CBXXZAKQGHHWFQ-KRWDZBQOSA-N	0	0	327.645	3.806	30	0		EHACRN
O=C(c1c(Br)cccc1Br)C(F)(F)F	ZINC000040571864	213352756	/nfs/dbraw/zinc/35/27/56/213352756.db2.gz	FRZOSCFUJMAIEM-UHFFFAOYSA-N	0	0	331.913	3.957	30	0		EHACRN
O=[S@](Cc1cc(Cl)cc(Cl)c1)c1nc(Cl)ns1	ZINC000004290528	210161808	/nfs/dbraw/zinc/16/18/08/210161808.db2.gz	LYMHVKOYAIMSRT-KRWDZBQOSA-N	0	0	327.645	3.806	30	0		EHACRN