smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1c[nH+]c(C)[nH]1	ZINC000011789296	558276906	/nfs/dbraw/zinc/27/69/06/558276906.db2.gz	XCWBYZNDYRHGAZ-FQEVSTJZSA-N	1	2	401.482	5.249	10	10		HKCELO
COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1c[nH]c(C)[nH+]1	ZINC000011789296	558276910	/nfs/dbraw/zinc/27/69/10/558276910.db2.gz	XCWBYZNDYRHGAZ-FQEVSTJZSA-N	1	2	401.482	5.249	10	10		HKCELO
COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1c[nH+]c(C)[nH]1	ZINC000011789297	558276950	/nfs/dbraw/zinc/27/69/50/558276950.db2.gz	XCWBYZNDYRHGAZ-HXUWFJFHSA-N	1	2	401.482	5.249	10	10		HKCELO
COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1c[nH]c(C)[nH+]1	ZINC000011789297	558276953	/nfs/dbraw/zinc/27/69/53/558276953.db2.gz	XCWBYZNDYRHGAZ-HXUWFJFHSA-N	1	2	401.482	5.249	10	10		HKCELO
COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1[nH]cc(C)[nH+]1	ZINC000012159610	560890386	/nfs/dbraw/zinc/89/03/86/560890386.db2.gz	LAVZPTPNCLEQQC-NRFANRHFSA-N	1	2	409.555	5.287	10	10		HKCELO
COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1[nH]cc(C)[nH+]1	ZINC000012159612	560890415	/nfs/dbraw/zinc/89/04/15/560890415.db2.gz	LAVZPTPNCLEQQC-OAQYLSRUSA-N	1	2	409.555	5.287	10	10		HKCELO
COc1ccc2c(c1)S[C@H](c1ccccc1C(F)(F)F)CCN2Cc1[nH]cc[nH+]1	ZINC000014986656	558692847	/nfs/dbraw/zinc/69/28/47/558692847.db2.gz	FWLUSUZJWSRMTF-SFHVURJKSA-N	1	2	419.472	5.681	10	10		HKCELO
COc1ccc2c(c1)S[C@@H](c1ccccc1C(F)(F)F)CCN2Cc1[nH]cc[nH+]1	ZINC000014986657	558692889	/nfs/dbraw/zinc/69/28/89/558692889.db2.gz	FWLUSUZJWSRMTF-GOSISDBHSA-N	1	2	419.472	5.681	10	10		HKCELO