smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCc1cc(NS(=O)(=O)c2cc(C)cc(F)c2)[nH]n1	ZINC000159938620	432701367	/nfs/dbraw/zinc/70/13/67/432701367.db2.gz	QIQSEGRTSVOYSH-UHFFFAOYSA-N	0	2	311.382	3.001	50	70		DGIALN
CSc1ccc(C(=O)NCCc2noc(C3CCC3)n2)cc1	ZINC000217208024	201511936	/nfs/dbraw/zinc/51/19/36/201511936.db2.gz	WTGQXPPZPSYOGK-UHFFFAOYSA-N	0	2	317.414	3.032	50	70		DGIALN
Cc1cc(C(=O)N2CCC[C@@H](c3ccccc3C)C2)cc(=O)[nH]1	ZINC000217196480	201511121	/nfs/dbraw/zinc/51/11/21/201511121.db2.gz	LKECZSVVIPEWMP-OAHLLOKOSA-N	0	2	310.397	3.012	50	70		DGIALN
CSCc1ccc(C(=O)N2CCC(c3n[nH]cc3C)CC2)o1	ZINC000217183459	201511920	/nfs/dbraw/zinc/51/19/20/201511920.db2.gz	BORNYQXRMKZEDW-UHFFFAOYSA-N	0	2	319.430	3.194	50	70		DGIALN
CSCc1ccc(C(=O)N2CCC(c3[nH]ncc3C)CC2)o1	ZINC000217183459	201511927	/nfs/dbraw/zinc/51/19/27/201511927.db2.gz	BORNYQXRMKZEDW-UHFFFAOYSA-N	0	2	319.430	3.194	50	70		DGIALN
O=C(Cc1ccccn1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000217154919	201511872	/nfs/dbraw/zinc/51/18/72/201511872.db2.gz	KQAYBOSPHMTSEV-QGZVFWFLSA-N	0	2	320.396	3.254	50	70		DGIALN
COc1cccc(F)c1C(=O)N1CCC[C@@H]1c1ccccn1	ZINC000217195846	201510738	/nfs/dbraw/zinc/51/07/38/201510738.db2.gz	AWUSKYRUCCIBNT-CQSZACIVSA-N	0	2	300.333	3.207	50	70		DGIALN