smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc(F)cc1	ZINC000040891816	213397008	/nfs/dbraw/zinc/39/70/08/213397008.db2.gz	KDUJLNZMVVPFOC-UHFFFAOYSA-N	-1	1	339.333	2.216	1	10		EECFMM
COc1cc(-c2cc(=O)c3c(O)c(O)c([O-])c(OC)c3o2)ccc1O	ZINC000040833813	213391174	/nfs/dbraw/zinc/39/11/74/213391174.db2.gz	CGIMOCJIBRBBKV-UHFFFAOYSA-N	-1	1	346.291	2.300	1	10		EECFMM
COc1c(O)cc2c(c1O)C([O-])=C1C(=CC(C)C(=O)C1OC)C2=O	ZINC000085644844	560067221	/nfs/dbraw/zinc/06/72/21/560067221.db2.gz	QNTZOEOTXIDYKV-WRWORJQWSA-N	-1	1	332.308	2.094	1	10	biogenic,in-vitro	EECFMM
COc1cc([O-])cc2c1C(=O)[C@H]1OCc3c(O)c(O)ccc3[C@H]1O2	ZINC000013410942	560216567	/nfs/dbraw/zinc/21/65/67/560216567.db2.gz	XILDQPIWFUPOAO-IAGOWNOFSA-N	-1	1	330.292	2.027	1	10	biogenic,in-vitro	EECFMM
CC1(C)OC(=O)C(=CNc2ccc(Cl)c(C(=O)[O-])c2)C(=O)O1	ZINC000101954042	219175276	/nfs/dbraw/zinc/17/52/76/219175276.db2.gz	ANYZADJXMKGAEN-UHFFFAOYSA-N	-1	1	325.704	2.170	1	10		EECFMM
CC1=NN(c2nn[n-]n2)C(=O)C1=Cc1cc(Cl)c([O-])c(Cl)c1	ZINC000101161710	219117757	/nfs/dbraw/zinc/11/77/57/219117757.db2.gz	KGZRLNLISWUXBJ-UQCOIBPSSA-N	-1	1	339.142	2.018	1	10		EECFMM
COc1cc([O-])cc2c1C(=O)[C@H]1OCc3cc(O)c(O)cc3[C@H]1O2	ZINC000013410928	560216393	/nfs/dbraw/zinc/21/63/93/560216393.db2.gz	VBHQQUQXWGPBBF-IAGOWNOFSA-N	-1	1	330.292	2.027	1	10	biogenic,in-vitro	EECFMM
O=c1[n-]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1cccc(F)c1	ZINC000040896021	213398502	/nfs/dbraw/zinc/39/85/02/213398502.db2.gz	VIHBNQNYEOBJEB-UHFFFAOYSA-N	-1	1	339.333	2.216	1	10		EECFMM