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(C=Cc1ccc(O)cc1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C([O-])=CC1=O	ZINC000008221220	291303761	/nfs/dbraw/zinc/30/37/61/291303761.db2.gz	SBAFZBVZGFUKPK-MVAXXSNXSA-N	-1	1	448.380	-1.361	1	30	biogenic,in-vitro	IAEFMM
C[C@H]1c2cccc(O)c2C(=O)[C@H]2[C@@H](O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000022613617	563025742	/nfs/dbraw/zinc/02/57/42/563025742.db2.gz	MEKHECOZPWYBAR-WRBNWDBCSA-N	-1	1	446.456	-1.183	1	30		IAEFMM
CC[C@@H](C)[C@H](NC[C@@H](S)[C@@H]([NH3+])CCS(N)(=O)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000027561386	563044189	/nfs/dbraw/zinc/04/41/89/563044189.db2.gz	VGZDDFYZZJFSCX-LNSPPBFMSA-N	-1	1	442.560	-1.661	1	30		IAEFMM
CC[C@@H](C)[C@H](NC[C@H](S)[C@@H]([NH3+])CCS(N)(=O)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000027561388	563044232	/nfs/dbraw/zinc/04/42/32/563044232.db2.gz	VGZDDFYZZJFSCX-XPCJQDJLSA-N	-1	1	442.560	-1.661	1	30		IAEFMM
CC[C@@H](C)[C@H](NC[C@@H](S)[C@H]([NH3+])CCS(N)(=O)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000027561390	563044252	/nfs/dbraw/zinc/04/42/52/563044252.db2.gz	VGZDDFYZZJFSCX-HMUNZLOLSA-N	-1	1	442.560	-1.661	1	30		IAEFMM
CC[C@@H](C)[C@H](NC[C@H](S)[C@H]([NH3+])CCS(N)(=O)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000027561392	563044212	/nfs/dbraw/zinc/04/42/12/563044212.db2.gz	VGZDDFYZZJFSCX-IIEKFROSSA-N	-1	1	442.560	-1.661	1	30		IAEFMM
CC(C)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000027656909	563045317	/nfs/dbraw/zinc/04/53/17/563045317.db2.gz	MDNRBNZIOBQHHK-OUJBWJOFSA-N	-1	1	445.477	-3.332	1	30		IAEFMM
C=C1c2cccc(O)c2C(=O)[C@H]2[C@H](O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@H]3[C@@H](O)[C@H]12	ZINC000058614476	563145880	/nfs/dbraw/zinc/14/58/80/563145880.db2.gz	OWJANFORWMMHIA-LMPMTGHXSA-N	-1	1	444.440	-1.273	1	30		IAEFMM