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)CCNC(=O)c1ccc(C(=O)NCC[N+](C)(C)C)cc1	ZINC000002032588	717093854	/nfs/dbraw/zinc/09/38/54/717093854.db2.gz	HVDGNNNLCXZQJK-UHFFFAOYSA-P	2	0	336.480	0.559	10	5		ECBERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000176232870	437135715	/nfs/dbraw/zinc/13/57/15/437135715.db2.gz	UVJMEKLWGUUHOK-ZDUSSCGKSA-N	2	0	325.413	0.816	10	5		ECBERP
CC[N+](CC)(CC)CCNC(=O)C(=O)NCC[N+](CC)(CC)CC	ZINC000005688345	717101094	/nfs/dbraw/zinc/10/10/94/717101094.db2.gz	CZHUFHLKBYIUAC-UHFFFAOYSA-P	2	0	344.544	0.972	10	5		ECBERP
Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000178336724	437212206	/nfs/dbraw/zinc/21/22/06/437212206.db2.gz	MIJJJLQQCFOTKG-HIFRSBDPSA-N	2	0	334.380	0.822	10	5		ECBERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000174849689	263151413	/nfs/dbraw/zinc/15/14/13/263151413.db2.gz	IWYMMTTYVUEJJT-CYBMUJFWSA-N	2	0	325.413	0.816	10	5		ECBERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000174849682	263151457	/nfs/dbraw/zinc/15/14/57/263151457.db2.gz	IWYMMTTYVUEJJT-ZDUSSCGKSA-N	2	0	325.413	0.816	10	5		ECBERP
C[N+](C)(C)CCNC(=O)c1ccccc1C(=O)NCC[N+](C)(C)C	ZINC000002032592	717093676	/nfs/dbraw/zinc/09/36/76/717093676.db2.gz	MJGRXTZDZKYDJQ-UHFFFAOYSA-P	2	0	336.480	0.559	10	5		ECBERP
Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000178336705	437211664	/nfs/dbraw/zinc/21/16/64/437211664.db2.gz	MIJJJLQQCFOTKG-ZFWWWQNUSA-N	2	0	334.380	0.822	10	5		ECBERP
C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000008076604	436021272	/nfs/dbraw/zinc/02/12/72/436021272.db2.gz	WKTQIBKMCKFCJE-GWCFXTLKSA-N	2	0	337.380	0.494	10	5		ECBERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000176232881	278395158	/nfs/dbraw/zinc/39/51/58/278395158.db2.gz	UVJMEKLWGUUHOK-CYBMUJFWSA-N	2	0	325.413	0.816	10	5		ECBERP
CC[N+]1(CCOCCOCC[N+]2(CC)CCOCC2)CCOCC1	ZINC000033884207	717123163	/nfs/dbraw/zinc/12/31/63/717123163.db2.gz	JPILICABYNCQQP-UHFFFAOYSA-N	2	0	346.512	0.753	10	5		ECBERP