smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCCCC(=O)N[N+](C)(C)C[C@H](C)O	ZINC000104189156	717147277	/nfs/dbraw/zinc/14/72/77/717147277.db2.gz	ILBOHMLHFLYGDW-FQEVSTJZSA-O	1	0	357.603	4.956	40	50		FJGBRO
C/C=C1\C[N+]2(CCCCC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000003999307	717097488	/nfs/dbraw/zinc/09/74/88/717097488.db2.gz	XQRRSKKQLILQOC-MOAPLMBYSA-O	1	0	363.525	4.562	40	50		FJGBRO
CCCCCCCCCCCCCCCC(=O)N[N+](C)(C)C[C@@H](C)O	ZINC000104189153	717147303	/nfs/dbraw/zinc/14/73/03/717147303.db2.gz	ILBOHMLHFLYGDW-HXUWFJFHSA-O	1	0	357.603	4.956	40	50		FJGBRO
C/C=C1/C[N@@+]2(CCCCC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000252462950	717165598	/nfs/dbraw/zinc/16/55/98/717165598.db2.gz	XQRRSKKQLILQOC-BPMGNNJMSA-O	1	0	363.525	4.562	40	50		FJGBRO
C/C=C1/C[N+]2(CCCCC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000035074229	717125232	/nfs/dbraw/zinc/12/52/32/717125232.db2.gz	XQRRSKKQLILQOC-WKJBEWFKSA-O	1	0	363.525	4.562	40	50		FJGBRO