smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(N2C[C@]3(COCCN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)C3)OCC2=O)cc1	ZINC001164691713	719783643	/nfs/dbraw/zinc/78/36/43/719783643.db2.gz	QIAVMIXIVHAVDJ-LJQANCHMSA-N	-1	3	481.912	2.474	20	30		JEEDHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000030335739	259085373	/nfs/dbraw/zinc/08/53/73/259085373.db2.gz	XAQXPXYKJMNATD-UHFFFAOYSA-N	-1	3	456.484	2.154	20	30		JEEDHM
Cc1cc(C2CCN(S(=O)(=O)C(C)(C)C(=O)N[O-])CC2)ccc1-c1cccc(OCCO)n1	ZINC000028970152	563089646	/nfs/dbraw/zinc/08/96/46/563089646.db2.gz	YVBOXQAMDNUBQA-UHFFFAOYSA-N	-1	3	477.583	2.221	20	30		JEEDHM
CSc1nc(Cl)c(C=N[O-])c(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)n1	ZINC001164933571	721903754	/nfs/dbraw/zinc/90/37/54/721903754.db2.gz	OPIPDSLLVJGARA-UHFFFAOYSA-N	-1	3	451.984	2.265	20	30		JEEDHM
N#Cc1ccc(N2C[C@@]3(COCCN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)C3)OCC2=O)cc1	ZINC001164691709	719783322	/nfs/dbraw/zinc/78/33/22/719783322.db2.gz	QIAVMIXIVHAVDJ-IBGZPJMESA-N	-1	3	481.912	2.474	20	30		JEEDHM