smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])c([O-])cc4[O-])c(=O)n32)cc1OCC	ZINC000408936210	1066209133	/nfs/dbraw/zinc/20/91/33/1066209133.db2.gz	ORNWLROEAODHLU-CXUQIOAJSA-N	-2	1	541.538	2.135	40	5		KEBBML
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])c([O-])cc4[O-])c(=O)n32)cc1OCC	ZINC000408936215	1066392494	/nfs/dbraw/zinc/39/24/94/1066392494.db2.gz	ORNWLROEAODHLU-YLQLIIAJSA-N	-2	1	541.538	2.135	40	5		KEBBML
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c([O-])cc3[O-])c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409030077	1066399445	/nfs/dbraw/zinc/39/94/45/1066399445.db2.gz	CDSJSDFSRZNSQT-ROOYPZPVSA-N	-2	1	613.601	2.068	40	5		KEBBML
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c([O-])cc3[O-])c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409030078	1066399327	/nfs/dbraw/zinc/39/93/27/1066399327.db2.gz	CDSJSDFSRZNSQT-WNSYTLDPSA-N	-2	1	613.601	2.068	40	5		KEBBML
COC(=O)COc1c(I)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000409330977	1066212984	/nfs/dbraw/zinc/21/29/84/1066212984.db2.gz	NUHUNNIZPUPCOQ-ONEGZZNKSA-N	-2	1	503.205	2.131	40	5		KEBBML