smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1ccc2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3C[C@@H]1C2	ZINC000065747853	522648896	/nfs/dbraw/zinc/64/88/96/522648896.db2.gz	KTQLKXJOFVMDMQ-REXXEDAASA-N	-1	0	443.456	0.162	10	30	in-vitro	ICEERM
Cc1ccc(S(=O)(=O)N=C(N)NCCC[C@H](NOC(=O)C(C)(C)C)C(=O)[O-])cc1	ZINC000071789590	525482587	/nfs/dbraw/zinc/48/25/87/525482587.db2.gz	QMLAMVHSHYKZOI-AWEZNQCLSA-N	-1	0	428.511	0.915	10	30		ICEERM
Cc1ccc(S(=O)(=O)N=C(N)NCCC[C@@H](NOC(=O)C(C)(C)C)C(=O)[O-])cc1	ZINC000071789597	525484598	/nfs/dbraw/zinc/48/45/98/525484598.db2.gz	QMLAMVHSHYKZOI-CQSZACIVSA-N	-1	0	428.511	0.915	10	30		ICEERM
C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2c2cc3c(c(O)c21)C(=O)C(=O)C([C@@H]1C[C@H](O)[C@H](O)[C@H](C)O1)=C3[O-]	ZINC000604379902	557236052	/nfs/dbraw/zinc/23/60/52/557236052.db2.gz	MMUVZKKSMJKEMT-GBXPFFPJSA-N	-1	0	446.408	0.930	10	30		ICEERM
C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2c2cc3c(c(O)c21)C(=O)C(=O)C([C@@H]1C[C@H](O)[C@@H](O)[C@H](C)O1)=C3[O-]	ZINC000604379903	557236020	/nfs/dbraw/zinc/23/60/20/557236020.db2.gz	MMUVZKKSMJKEMT-GHRUGENZSA-N	-1	0	446.408	0.930	10	30		ICEERM
C[C@H]1O[C@H](C2=C([O-])c3cc4c(c(O)c3C(=O)C2=O)[C@H](C)O[C@@H]2CC(=O)O[C@H]42)C[C@H](O)[C@H]1O	ZINC000604379904	557236236	/nfs/dbraw/zinc/23/62/36/557236236.db2.gz	MMUVZKKSMJKEMT-PKSPVTCVSA-N	-1	0	446.408	0.930	10	30		ICEERM
C[C@H]1O[C@H](C2=C([O-])c3cc4c(c(O)c3C(=O)C2=O)[C@H](C)O[C@@H]2CC(=O)O[C@H]42)C[C@H](O)[C@@H]1O	ZINC000604379905	557236190	/nfs/dbraw/zinc/23/61/90/557236190.db2.gz	MMUVZKKSMJKEMT-SLGYWOFISA-N	-1	0	446.408	0.930	10	30		ICEERM