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[C@@H](C)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c([N+](=O)[O-])c1	ZINC001170324626	1067111299	/nfs/dbraw/zinc/11/12/99/1067111299.db2.gz	RUCHXPPBSLZBHP-ALLAJJHJSA-N	-1	1	452.438	-1.249	20	5		JABDMM
COc1ccc(C[C@H](C)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC001170324628	1067111100	/nfs/dbraw/zinc/11/11/00/1067111100.db2.gz	RUCHXPPBSLZBHP-FSJRPERPSA-N	-1	1	452.438	-1.249	20	5		JABDMM
COc1ccc(C[C@H](C)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c([N+](=O)[O-])c1	ZINC001170324629	1067111370	/nfs/dbraw/zinc/11/13/70/1067111370.db2.gz	RUCHXPPBSLZBHP-IKTBGSDFSA-N	-1	1	452.438	-1.249	20	5		JABDMM
COc1ccc(C[C@@H](C)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC001170324631	1067111119	/nfs/dbraw/zinc/11/11/19/1067111119.db2.gz	RUCHXPPBSLZBHP-ILBACIQZSA-N	-1	1	452.438	-1.249	20	5		JABDMM
COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1F	ZINC001173181394	1067147565	/nfs/dbraw/zinc/14/75/65/1067147565.db2.gz	VJBNXPIGKLJBIA-NZVTYKPNSA-N	-1	1	470.428	-1.110	20	5		JABDMM
COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1F	ZINC001173181403	1067147479	/nfs/dbraw/zinc/14/74/79/1067147479.db2.gz	VJBNXPIGKLJBIA-PCCCKGKYSA-N	-1	1	470.428	-1.110	20	5		JABDMM
COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1F	ZINC001173181404	1067147518	/nfs/dbraw/zinc/14/75/18/1067147518.db2.gz	VJBNXPIGKLJBIA-RUOOLKCYSA-N	-1	1	470.428	-1.110	20	5		JABDMM
COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1F	ZINC001173181405	1067147593	/nfs/dbraw/zinc/14/75/93/1067147593.db2.gz	VJBNXPIGKLJBIA-SSDMOBTISA-N	-1	1	470.428	-1.110	20	5		JABDMM