smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](CCNS(=O)(=O)c3cc(Br)cc4c3N(C(=O)C3CC3)CC4)CC2)cc1	ZINC000004734575	552474692	/nfs/dbraw/zinc/47/46/92/552474692.db2.gz	VFWTXOFQCQYKFB-UHFFFAOYSA-N	1	2	563.518	2.857	10	10		KFCELO
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCC[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1	ZINC000025174294	553805047	/nfs/dbraw/zinc/80/50/47/553805047.db2.gz	OKNCUROTWIKHIH-QJOMJCCJSA-N	1	2	510.982	2.831	10	10		KFCELO
O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1C[NH2+]CC2=O)NCc1ccccc1	ZINC000072320681	553647691	/nfs/dbraw/zinc/64/76/91/553647691.db2.gz	UVQBOMBYKDWKMN-DQEYMECFSA-N	1	2	520.674	2.957	10	10		KFCELO