smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)COc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000261938027	1197519747	/nfs/dbraw/zinc/51/97/47/1197519747.db2.gz	MIECDOCBFGKIIL-UHFFFAOYSA-N	2	2	380.401	0.010	10	5		GCBELP
COC(=O)COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000261938027	1197519752	/nfs/dbraw/zinc/51/97/52/1197519752.db2.gz	MIECDOCBFGKIIL-UHFFFAOYSA-N	2	2	380.401	0.010	10	5		GCBELP
C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1	ZINC000125423069	1199883060	/nfs/dbraw/zinc/88/30/60/1199883060.db2.gz	XGIDXAWQTJVGMN-UHFFFAOYSA-N	2	2	397.501	0.719	10	5		GCBELP
C[NH+]1CCC(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)([NH+]2CCCCC2)CC1	ZINC000172754734	1200294032	/nfs/dbraw/zinc/29/40/32/1200294032.db2.gz	PVOSJKYEKROATQ-UHFFFAOYSA-N	2	2	391.472	0.823	10	5		GCBELP