smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+]CC[N+](C)(C)C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1	ZINC000033506350	717121038	/nfs/dbraw/zinc/12/10/38/717121038.db2.gz	ZLIAPVSADVSNMH-KGHZBTQCSA-N	2	1	381.460	4.239	10	10		GICEMP
CCOc1cccc(C[N@@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)c1O	ZINC000011843894	221132595	/nfs/dbraw/zinc/13/25/95/221132595.db2.gz	HKDAWZYHOAOONS-OAQYLSRUSA-N	2	1	382.548	4.177	10	10		GICEMP
CCOc1cccc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)c1O	ZINC000011843894	221132596	/nfs/dbraw/zinc/13/25/96/221132596.db2.gz	HKDAWZYHOAOONS-OAQYLSRUSA-N	2	1	382.548	4.177	10	10		GICEMP
CCOc1cccc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)c1O	ZINC000011843894	221132598	/nfs/dbraw/zinc/13/25/98/221132598.db2.gz	HKDAWZYHOAOONS-OAQYLSRUSA-N	2	1	382.548	4.177	10	10		GICEMP
C[C@@H]([NH2+]CC[N+](C)(C)C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1	ZINC000033506349	717121053	/nfs/dbraw/zinc/12/10/53/717121053.db2.gz	ZLIAPVSADVSNMH-XGBCSFPLSA-N	2	1	381.460	4.239	10	10		GICEMP