smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC[NH+](CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	ZINC000013671982	558853250	/nfs/dbraw/zinc/85/32/50/558853250.db2.gz	RPNASBDYEUGKJT-UHFFFAOYSA-N	1	1	413.500	0.115	40	5		HCBBMO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000025767393	569349887	/nfs/dbraw/zinc/34/98/87/569349887.db2.gz	GHLODWVAHVYLGP-UHFFFAOYSA-N	1	1	414.484	0.508	40	5		HCBBMO
COCc1nc(-n2ccc3nc4ccn(CCC[NH+](C)C)c(=O)c4cc3c2=O)n[nH]1	ZINC000040398985	523161952	/nfs/dbraw/zinc/16/19/52/523161952.db2.gz	STCMFIJDGQPRCM-UHFFFAOYSA-N	1	1	409.450	0.917	40	5		HCBBMO
Cc1c(N(CC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000220031964	568501413	/nfs/dbraw/zinc/50/14/13/568501413.db2.gz	AZAVCAJFDZJXMH-UHFFFAOYSA-N	1	1	414.484	0.508	40	5		HCBBMO
C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220414289	559076829	/nfs/dbraw/zinc/07/68/29/559076829.db2.gz	DQFSNIXTVOOMQG-AWEZNQCLSA-N	1	1	414.484	0.588	40	5		HCBBMO
C[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220414358	559076836	/nfs/dbraw/zinc/07/68/36/559076836.db2.gz	DQFSNIXTVOOMQG-CQSZACIVSA-N	1	1	414.484	0.588	40	5		HCBBMO