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@]1(CC2=NC=NC2)[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000103548503	557316210	/nfs/dbraw/zinc/31/62/10/557316210.db2.gz	GEBRGSCQNSWEPL-PWSZPPJVSA-N	-1	3	446.463	1.534	10	10		IDCEHM
O=C([O-])[C@@]1(CC2=NC=NC2)[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000247367426	557136858	/nfs/dbraw/zinc/13/68/58/557136858.db2.gz	GEBRGSCQNSWEPL-VKDGWMQASA-N	-1	3	446.463	1.534	10	10		IDCEHM
O=C([O-])[C@]1(CC2=NC=NC2)[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000247367417	557136811	/nfs/dbraw/zinc/13/68/11/557136811.db2.gz	GEBRGSCQNSWEPL-CMCWBKRRSA-N	-1	3	446.463	1.534	10	10		IDCEHM
O=C([O-])[C@]1(CC2=NC=NC2)[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000103548495	557316148	/nfs/dbraw/zinc/31/61/48/557316148.db2.gz	GEBRGSCQNSWEPL-AZXNSQLWSA-N	-1	3	446.463	1.534	10	10		IDCEHM
O=C([O-])[C@]1(CC2=NC=NC2)[NH2+][C@@H](c2ccccc2[O-])[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000103548498	557316121	/nfs/dbraw/zinc/31/61/21/557316121.db2.gz	GEBRGSCQNSWEPL-KCOOYEKVSA-N	-1	3	446.463	1.534	10	10		IDCEHM
O=C([O-])[C@]1(CC2=NC=NC2)[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000103548507	557316260	/nfs/dbraw/zinc/31/62/60/557316260.db2.gz	GEBRGSCQNSWEPL-ZBNTXBBCSA-N	-1	3	446.463	1.534	10	10		IDCEHM
O=C([O-])[C@@]1(CC2=NC=NC2)[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000247367435	557136846	/nfs/dbraw/zinc/13/68/46/557136846.db2.gz	GEBRGSCQNSWEPL-XHOYROJHSA-N	-1	3	446.463	1.534	10	10		IDCEHM
CC[C@@](O)(C(=O)[O-])c1cc2n(c(=O)c1CO)Cc1cc3c(ccc([O-])c3C[NH+](C)C)nc1-2	ZINC000022067027	523690067	/nfs/dbraw/zinc/69/00/67/523690067.db2.gz	DPQJTQJZJNYUEC-QHCPKHFHSA-N	-1	3	439.468	1.367	10	10	in-vitro	IDCEHM