smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCS(=O)(=O)C[C@@H](C)[NH2+]CC[NH3+]	217327316	572079261	/nfs/dbraw/zinc/07/92/61/572079261.db2.gz	KAOALLJKUZBDFL-SSDOTTSWSA-N	2	2	194.300	-0.642	10	70		ABIELP
CC[C@@H]1C[NH2+]C[C@@H]1[N@H+](C)CCO	161005165	573627087	/nfs/dbraw/zinc/62/70/87/573627087.db2.gz	VZBQHJWTPFPCHJ-BDAKNGLRSA-N	2	2	172.272	-0.092	10	70		ABIELP
CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+](C)CCO	161005165	573627092	/nfs/dbraw/zinc/62/70/92/573627092.db2.gz	VZBQHJWTPFPCHJ-BDAKNGLRSA-N	2	2	172.272	-0.092	10	70		ABIELP
CC[C@H]1C[NH2+]C[C@@H]1[N@H+](C)CCO	161005286	573630039	/nfs/dbraw/zinc/63/00/39/573630039.db2.gz	VZBQHJWTPFPCHJ-IUCAKERBSA-N	2	2	172.272	-0.092	10	70		ABIELP
CC[C@H]1C[NH2+]C[C@@H]1[N@@H+](C)CCO	161005286	573630044	/nfs/dbraw/zinc/63/00/44/573630044.db2.gz	VZBQHJWTPFPCHJ-IUCAKERBSA-N	2	2	172.272	-0.092	10	70		ABIELP
CCS(=O)(=O)C[C@H](C)[NH2+]CC[NH3+]	217327317	572079793	/nfs/dbraw/zinc/07/97/93/572079793.db2.gz	KAOALLJKUZBDFL-ZETCQYMHSA-N	2	2	194.300	-0.642	10	70		ABIELP
CC[C@H]1C[NH2+]C[C@H]1[N@H+](C)CCO	161005536	573626109	/nfs/dbraw/zinc/62/61/09/573626109.db2.gz	VZBQHJWTPFPCHJ-DTWKUNHWSA-N	2	2	172.272	-0.092	10	70		ABIELP
CC[C@H]1C[NH2+]C[C@H]1[N@@H+](C)CCO	161005536	573626116	/nfs/dbraw/zinc/62/61/16/573626116.db2.gz	VZBQHJWTPFPCHJ-DTWKUNHWSA-N	2	2	172.272	-0.092	10	70		ABIELP
CC[C@@H]1C[NH2+]C[C@H]1[N@H+](C)CCO	161005409	573630856	/nfs/dbraw/zinc/63/08/56/573630856.db2.gz	VZBQHJWTPFPCHJ-RKDXNWHRSA-N	2	2	172.272	-0.092	10	70		ABIELP
CC[C@@H]1C[NH2+]C[C@H]1[N@@H+](C)CCO	161005409	573630861	/nfs/dbraw/zinc/63/08/61/573630861.db2.gz	VZBQHJWTPFPCHJ-RKDXNWHRSA-N	2	2	172.272	-0.092	10	70		ABIELP