smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(N=Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])c2c(c1[O-])CO[P@@](=O)([O-])OC2	ZINC000013555412	562973740	/nfs/dbraw/zinc/97/37/40/562973740.db2.gz	GGJCEYXTBFQGRQ-WUKNDPDISA-N	-4	3	495.384	2.152	1	10		JECFHL
CCc1cc(NCCO)c2c(O)c3c(c([O-])c2c1C(=O)OC)C(=O)c1cccc([O-])c1C3=O	ZINC000013366518	562962118	/nfs/dbraw/zinc/96/21/18/562962118.db2.gz	QZOYVKFIBGXGPC-UHFFFAOYSA-N	-2	3	451.431	2.485	1	10		JECFHL
Cc1[n-]n(C(=O)c2ccc([O-])cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000049757449	563203279	/nfs/dbraw/zinc/20/32/79/563203279.db2.gz	LOTBGJBJYRKOGT-PZPYUUCDSA-N	-3	3	479.478	2.494	1	10		JECFHL
CO[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1Oc1cc(C)cc2cc3c(c([O-])c21)C(=O)c1c([O-])cccc1C3=O	ZINC000049069070	563201030	/nfs/dbraw/zinc/20/10/30/563201030.db2.gz	DDAFXQZMYKLUIV-XEOGOGAXSA-N	-2	3	480.469	2.195	1	10	in-vitro	JECFHL
C[C@@H]1O[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)c(O)c2)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O	ZINC000095914727	291474641	/nfs/dbraw/zinc/47/46/41/291474641.db2.gz	VBHRATZJDZCXOA-CPGBUXPPSA-N	-2	3	488.445	2.287	1	10	biogenic,in-vitro	JECFHL