smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCOC(=O)C[C@H](O)C[N+](C)(C)C	ZINC000003633869	717096227	/nfs/dbraw/zinc/09/62/27/717096227.db2.gz	WTRYDROOMBSFHA-NSHDSACASA-N	2	0	248.367	-0.307	10	5		BBBERP
C[N+](C)(C)CCOC(=O)C[C@@H](O)C[N+](C)(C)C	ZINC000003633871	717097256	/nfs/dbraw/zinc/09/72/56/717097256.db2.gz	WTRYDROOMBSFHA-LLVKDONJSA-N	2	0	248.367	-0.307	10	5		BBBERP
[NH3+]CCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+]	ZINC000014823718	560226832	/nfs/dbraw/zinc/22/68/32/560226832.db2.gz	XJXHSXSKNSIRGP-UHFFFAOYSA-N	5	0	246.423	-0.802	10	5	in-vitro	BBBERP