smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N(CCN(C)C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000514301399	1059284081	/nfs/dbraw/zinc/28/40/81/1059284081.db2.gz	ZOTGIBHTRVXBKT-UHFFFAOYSA-N	0	3	545.706	3.432	20	5		KGBDHN
CCc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)N(C)C)cc1	ZINC000514377816	1059321358	/nfs/dbraw/zinc/32/13/58/1059321358.db2.gz	KRVMTGBEKIJDDO-HSZRJFAPSA-N	0	3	502.637	3.285	20	5		KGBDHN
CCc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)N(C)C)cc1	ZINC000514377817	1059321428	/nfs/dbraw/zinc/32/14/28/1059321428.db2.gz	KRVMTGBEKIJDDO-QHCPKHFHSA-N	0	3	502.637	3.285	20	5		KGBDHN
Cc1ccc([N-]S(=O)(=O)c2ccc(NCC(=O)NC3CC[NH+](C(C)C)CC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000514393338	1059480009	/nfs/dbraw/zinc/48/00/09/1059480009.db2.gz	XGHUCQXFFBBJTC-UHFFFAOYSA-N	0	3	503.625	3.413	20	5		KGBDHN
Cc1ccc([N-]S(=O)(=O)c2ccc(NCC(=O)NC3CC[NH+](C4CC4)CC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000514394369	1059494274	/nfs/dbraw/zinc/49/42/74/1059494274.db2.gz	VGLWGYFFZIGUPU-UHFFFAOYSA-N	0	3	501.609	3.167	20	5		KGBDHN