smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc([C@@H](Nc2nc(N)c(Cc3cc(OC)c(OC)c(OC)c3)c[nH+]2)S(=O)(=O)[O-])ccc1O	ZINC000003604326	561682106	/nfs/dbraw/zinc/68/21/06/561682106.db2.gz	HCHKZQYFQOONNE-QFIPXVFZSA-N	0	2	520.564	2.778	10	0	in-man	KFAELN
CCOc1cc([C@H](Nc2nc(N)c(Cc3cc(OC)c(OC)c(OC)c3)c[nH+]2)S(=O)(=O)[O-])ccc1O	ZINC000003604328	561682082	/nfs/dbraw/zinc/68/20/82/561682082.db2.gz	HCHKZQYFQOONNE-JOCHJYFZSA-N	0	2	520.564	2.778	10	0	in-man	KFAELN
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000015722049	553534886	/nfs/dbraw/zinc/53/48/86/553534886.db2.gz	XVRBYXUFMBHJOI-PMACEKPBSA-N	0	2	517.583	2.512	10	0		KFAELN
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000015722049	553534884	/nfs/dbraw/zinc/53/48/84/553534884.db2.gz	XVRBYXUFMBHJOI-PMACEKPBSA-N	0	2	517.583	2.512	10	0		KFAELN
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000034199137	291765377	/nfs/dbraw/zinc/76/53/77/291765377.db2.gz	NGMYNFJANBHLKA-DYAPJGKMSA-N	0	2	514.527	2.595	10	0	biogenic,in-vitro	KFAELN
CCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C1=C(N2CCOCC2)C(=O)N(c2ccc(OC)cc2OC)C1=O	ZINC000103140864	555310520	/nfs/dbraw/zinc/31/05/20/555310520.db2.gz	VNCINRAWFXLBHI-UHFFFAOYSA-N	0	2	534.569	2.783	10	0		KFAELN
CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C[C@H](C(=O)OC)[C@H]1O	ZINC000136447472	571449323	/nfs/dbraw/zinc/44/93/23/571449323.db2.gz	VRZWPMLRXPHEQX-MFKWGIFDSA-N	0	2	542.674	2.871	10	0		KFAELN