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)C1CC[NH+]([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)S(=O)(=O)C2)CC1	ZINC000095600398	211281744	/nfs/dbraw/zinc/28/17/44/211281744.db2.gz	HYJAFNZJEVOLPF-MRXNPFEDSA-N	1	2	397.453	0.994	3	5		GCBFLO
COC(=O)C1CC[NH+]([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)S(=O)(=O)C2)CC1	ZINC000095600399	211281869	/nfs/dbraw/zinc/28/18/69/211281869.db2.gz	HYJAFNZJEVOLPF-INIZCTEOSA-N	1	2	397.453	0.994	3	5		GCBFLO
O=C([C@@H]1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C[NH2+]1)N1CCSC1	ZINC000028889115	221685990	/nfs/dbraw/zinc/68/59/90/221685990.db2.gz	MAZMJZPWHREVQB-GJZGRUSLSA-N	1	2	392.485	0.375	1	5		GCBFLO