smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@@H]1[C@H](C[C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000029046041	553844284	/nfs/dbraw/zinc/84/42/84/553844284.db2.gz	XBAMJZTXGWPTRM-NTXHKPOFSA-N	1	0	530.574	0.393	10	30	biogenic,in-vitro	KCEERO
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=CCS[C@H]12)c1csc(NC(=O)[C@H](C)[NH3+])n1	ZINC000043211825	554298348	/nfs/dbraw/zinc/29/83/48/554298348.db2.gz	VOPANQNVVCPHQR-IVVGYLHBSA-N	1	0	568.634	0.803	10	30	in-man	KCEERO
C=CC[N@H+]1CC[C@@]23c4c5c(O[C@@H]6O[C@H](C(=O)OC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000077311524	553662687	/nfs/dbraw/zinc/66/26/87/553662687.db2.gz	JXGSHKVLZQKITC-AIVUKNLLSA-N	1	0	643.642	0.668	10	30	in-vitro	KCEERO