smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@H]1[C@@H](Oc2ccc(N3CCN(C(C)=O)CC3)cc2)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000008555225	534674706	/nfs/dbraw/zinc/67/47/06/534674706.db2.gz	SEISZVSTYTWRRF-MDMHHNQBSA-N	0	0	423.466	-1.322	40	10		HACBRN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc(N2CCN(C(C)=O)CC2)cc1	ZINC000008555232	132330316	/nfs/dbraw/zinc/33/03/16/132330316.db2.gz	SEISZVSTYTWRRF-UTBUEMAESA-N	0	0	423.466	-1.322	40	10		HACBRN
CC(=O)N[C@@H]1[C@@H](Oc2ccc(N3CCN(C(C)=O)CC3)cc2)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000008555252	132330350	/nfs/dbraw/zinc/33/03/50/132330350.db2.gz	SEISZVSTYTWRRF-KNJMJIDISA-N	0	0	423.466	-1.322	40	10		HACBRN
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc(N2CCN(C(C)=O)CC2)cc1	ZINC000008555258	534673696	/nfs/dbraw/zinc/67/36/96/534673696.db2.gz	SEISZVSTYTWRRF-OMZCGLGVSA-N	0	0	423.466	-1.322	40	10		HACBRN
[NH3+][C@H](CCCC[n+]1cc([O-])c(C[C@@H]([NH3+])C(=O)[O-])c(CC[C@@H]([NH3+])C(=O)[O-])c1)C(=O)[O-]	ZINC000014684183	558663700	/nfs/dbraw/zinc/66/37/00/558663700.db2.gz	ZAHDXEIQWWLQQL-MGPQQGTHSA-O	0	0	413.451	-1.439	40	10		HACBRN
[NH3+][C@H](CCCC[n+]1cc([O-])c(C[C@H]([NH3+])C(=O)[O-])c(CC[C@@H]([NH3+])C(=O)[O-])c1)C(=O)[O-]	ZINC000014684185	558663686	/nfs/dbraw/zinc/66/36/86/558663686.db2.gz	ZAHDXEIQWWLQQL-MCIONIFRSA-O	0	0	413.451	-1.439	40	10		HACBRN
[NH3+][C@H](CCCC[n+]1cc([O-])c(C[C@H]([NH3+])C(=O)[O-])c(CC[C@H]([NH3+])C(=O)[O-])c1)C(=O)[O-]	ZINC000022055980	558460125	/nfs/dbraw/zinc/46/01/25/558460125.db2.gz	ZAHDXEIQWWLQQL-RDBSUJKOSA-O	0	0	413.451	-1.439	40	10	in-vitro	HACBRN
[NH3+][C@H](CCCC[n+]1cc([O-])c(C[C@@H]([NH3+])C(=O)[O-])c(CC[C@H]([NH3+])C(=O)[O-])c1)C(=O)[O-]	ZINC000033989554	558772666	/nfs/dbraw/zinc/77/26/66/558772666.db2.gz	ZAHDXEIQWWLQQL-HZSPNIEDSA-O	0	0	413.451	-1.439	40	10		HACBRN