smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C[C@@H]([NH2+]Cc1cc2c(c(O)c1[O-])C(=O)c1ccccc1C2=O)C(=O)[O-]	ZINC000040392044	205063163	/nfs/dbraw/zinc/06/31/63/205063163.db2.gz	BLBNHNDBZQTJNT-GFCCVEGCSA-N	-2	0	385.328	0.891	1	10		GCCFRL
CC(C)CN(C[C@H](O)C(=O)[O-])C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000029127857	210542066	/nfs/dbraw/zinc/54/20/66/210542066.db2.gz	ZOVVXQFUXIVSFR-FZMZJTMJSA-N	-2	0	384.385	0.207	1	10		GCCFRL
O=C([O-])CC[C@@H](NC(=O)c1cccc(C[C@@H]2SC(=S)NC2=O)c1)C(=O)[O-]	ZINC000072181569	211081797	/nfs/dbraw/zinc/08/17/97/211081797.db2.gz	PLWJDIZGDPQJIH-MNOVXSKESA-N	-2	0	396.446	0.793	1	10		GCCFRL
O=C([O-])CC[C@@H](NC(=O)c1cccc(C[C@H]2SC(=S)NC2=O)c1)C(=O)[O-]	ZINC000072181568	211081342	/nfs/dbraw/zinc/08/13/42/211081342.db2.gz	PLWJDIZGDPQJIH-GHMZBOCLSA-N	-2	0	396.446	0.793	1	10		GCCFRL
O=C([O-])CC[C@@H](NC(=O)c1ccc(C[C@@H]2SC(=S)NC2=O)cc1)C(=O)[O-]	ZINC000072142529	205308322	/nfs/dbraw/zinc/30/83/22/205308322.db2.gz	YLYZZAGAENYOPS-MNOVXSKESA-N	-2	0	396.446	0.793	1	10		GCCFRL
O=C([O-])C1=N[C@H](C(=O)[O-])CC(/C=C/N2c3cc(O)c(O)cc3C[C@H]2C(=O)[O-])=C1	ZINC000064622547	222076416	/nfs/dbraw/zinc/07/64/16/222076416.db2.gz	BBJUSJOGHYQDQX-WODDMCJRSA-N	-3	0	388.332	0.736	1	10	in-vitro	GCCFRL
O=C([O-])C1=N[C@H](C(=O)[O-])CC(/C=C\N2c3cc(O)c(O)cc3C[C@H]2C(=O)[O-])=C1	ZINC000238789355	212133266	/nfs/dbraw/zinc/13/32/66/212133266.db2.gz	BBJUSJOGHYQDQX-ASPPQYHASA-N	-3	0	388.332	0.736	1	10		GCCFRL