smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c([O-])c1	ZINC000020906756	558420965	/nfs/dbraw/zinc/42/09/65/558420965.db2.gz	HTVNDZXYYVPROS-SFHVURJKSA-N	0	3	415.494	0.888	50	10		HCCAHN
COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c([O-])c1	ZINC000020906756	558420962	/nfs/dbraw/zinc/42/09/62/558420962.db2.gz	HTVNDZXYYVPROS-SFHVURJKSA-N	0	3	415.494	0.888	50	10		HCCAHN
COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c([O-])c1	ZINC000020906758	558421122	/nfs/dbraw/zinc/42/11/22/558421122.db2.gz	HTVNDZXYYVPROS-GOSISDBHSA-N	0	3	415.494	0.888	50	10		HCCAHN
COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c([O-])c1	ZINC000020906758	558421118	/nfs/dbraw/zinc/42/11/18/558421118.db2.gz	HTVNDZXYYVPROS-GOSISDBHSA-N	0	3	415.494	0.888	50	10		HCCAHN
Cc1ccc(S(=O)(=O)NCC[N-][N+](=O)C2([N+](=O)[O-])COC(C)(C)OC2)cc1	ZINC000225417212	569039845	/nfs/dbraw/zinc/03/98/45/569039845.db2.gz	JXFNZYOSVKBODK-UHFFFAOYSA-N	0	3	403.437	0.883	50	10		HCCAHN
CC1(C)OCC([N+](=O)[O-])([N+](=O)[N-]c2nonc2[N+](=O)[N-]c2nonc2N)CO1	ZINC000225423384	569039811	/nfs/dbraw/zinc/03/98/11/569039811.db2.gz	VKBCQRBPZGPOGW-UHFFFAOYSA-N	0	3	402.284	0.093	50	10		HCCAHN