smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)/C=C\c1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncc1[N+](=O)[O-]	ZINC001164910497	721760545	/nfs/dbraw/zinc/76/05/45/721760545.db2.gz	HCFUKIAIFMAUKH-VURMDHGXSA-N	2	2	448.527	3.705	20	5		IHBDLP
C[NH+](C)/C=C\c1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncc1[N+](=O)[O-]	ZINC001164910497	721760546	/nfs/dbraw/zinc/76/05/46/721760546.db2.gz	HCFUKIAIFMAUKH-VURMDHGXSA-N	2	2	448.527	3.705	20	5		IHBDLP
C[NH+](C)/C=C/c1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncc1[N+](=O)[O-]	ZINC001164910496	721761042	/nfs/dbraw/zinc/76/10/42/721761042.db2.gz	HCFUKIAIFMAUKH-SOFGYWHQSA-N	2	2	448.527	3.705	20	5		IHBDLP
C[NH+](C)/C=C/c1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncc1[N+](=O)[O-]	ZINC001164910496	721761044	/nfs/dbraw/zinc/76/10/44/721761044.db2.gz	HCFUKIAIFMAUKH-SOFGYWHQSA-N	2	2	448.527	3.705	20	5		IHBDLP