smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)C[C@@H]1CO[C@H](CC[C@H]2OC[C@@H](C[N+](C)(C)C)O2)O1	ZINC000255972668	717172560	/nfs/dbraw/zinc/17/25/60/717172560.db2.gz	FTOLGNHDBYYRBJ-WCVJEAGWSA-N	2	0	318.458	0.662	10	5		DCBERP
C[N+](C)(C)C[C@@H]1CO[C@H](CC[C@@H]2OC[C@H](C[N+](C)(C)C)O2)O1	ZINC000005764651	181281402	/nfs/dbraw/zinc/28/14/02/181281402.db2.gz	FTOLGNHDBYYRBJ-SYMSYNOKSA-N	2	0	318.458	0.662	10	5		DCBERP
C[N+](C)(C)C[C@@H]1CO[C@@H](CC[C@H]2OC[C@@H](C[N+](C)(C)C)O2)O1	ZINC000031771027	717120332	/nfs/dbraw/zinc/12/03/32/717120332.db2.gz	FTOLGNHDBYYRBJ-FPCVCCKLSA-N	2	0	318.458	0.662	10	5		DCBERP
C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O	ZINC000263296053	396211885	/nfs/dbraw/zinc/21/18/85/396211885.db2.gz	WINCHEGEZBPWSN-JTNHKYCSSA-N	2	0	322.365	0.482	10	5		DCBERP
C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O	ZINC000263296054	396211799	/nfs/dbraw/zinc/21/17/99/396211799.db2.gz	WINCHEGEZBPWSN-SUNKGSAMSA-N	2	0	322.365	0.482	10	5		DCBERP
C[N+](C)(C)C[C@@H]1CO[C@H](CC[C@H]2OC[C@H](C[N+](C)(C)C)O2)O1	ZINC000255972667	717172595	/nfs/dbraw/zinc/17/25/95/717172595.db2.gz	FTOLGNHDBYYRBJ-FZKCQIBNSA-N	2	0	318.458	0.662	10	5		DCBERP
C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O	ZINC000263296052	396212090	/nfs/dbraw/zinc/21/20/90/396212090.db2.gz	WINCHEGEZBPWSN-GYSYKLTISA-N	2	0	322.365	0.482	10	5		DCBERP
C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O	ZINC000263296056	396212100	/nfs/dbraw/zinc/21/21/00/396212100.db2.gz	WINCHEGEZBPWSN-UHIISALHSA-N	2	0	322.365	0.482	10	5		DCBERP
C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C	ZINC000173525635	416059814	/nfs/dbraw/zinc/05/98/14/416059814.db2.gz	HYEGXNPXWLKJGE-DYEKYZERSA-N	2	0	311.386	0.567	10	5		DCBERP
CC[N+]1(CCOCC[N+]2(CC)CCOCC2)CCOCC1	ZINC000005955456	717102828	/nfs/dbraw/zinc/10/28/28/717102828.db2.gz	GPDFFOFZYUJOAS-UHFFFAOYSA-N	2	0	302.459	0.737	10	5		DCBERP