smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)CNC=C1C(=O)NC(=S)N(CCOC)C1=O	ZINC000105337847	662398596	/nfs/dbraw/zinc/39/85/96/662398596.db2.gz	ICTDLPJVLGFSOI-FNORWQNLSA-N	0	0	300.340	-1.904	50	10		DACARN
CN1C(=O)C(=CN[C@@H]2C=CS(=O)(=O)C2)C(=O)N(C)C1=S	ZINC000020623007	372785158	/nfs/dbraw/zinc/78/51/58/372785158.db2.gz	QPJAXONXPDYREG-SSDOTTSWSA-N	0	0	315.376	-1.014	50	10		DACARN
COC(=O)c1c(/N=N/c2no[n+]([O-])c2C(=O)OC)no[n+]1[O-]	ZINC000016189904	182036542	/nfs/dbraw/zinc/03/65/42/182036542.db2.gz	YLQYPYIESZFORW-MDZDMXLPSA-N	0	0	314.170	-1.082	50	10		DACARN
CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc(N)cc1	ZINC000022048690	182306249	/nfs/dbraw/zinc/30/62/49/182306249.db2.gz	RWZITXGZJXXMRL-HTOAHKCRSA-N	0	0	312.322	-1.409	50	10		DACARN
COCCN1C(=O)C(=CNCC(OC)OC)C(=O)NC1=S	ZINC000105338371	409367403	/nfs/dbraw/zinc/36/74/03/409367403.db2.gz	WDHDECDRRIAECL-SOFGYWHQSA-N	0	0	317.367	-1.032	50	10		DACARN
COCCN1C(=O)C(=CNCCNC(C)=O)C(=O)NC1=S	ZINC000105490354	409368091	/nfs/dbraw/zinc/36/80/91/409368091.db2.gz	ROZRPQANSBGUIO-VQHVLOKHSA-N	0	0	314.367	-1.514	50	10		DACARN
CN1C(=O)C(=CN[C@H]2C=CS(=O)(=O)C2)C(=O)N(C)C1=S	ZINC000020623004	277006023	/nfs/dbraw/zinc/00/60/23/277006023.db2.gz	QPJAXONXPDYREG-ZETCQYMHSA-N	0	0	315.376	-1.014	50	10		DACARN