smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)[O-]	ZINC000408951734	556899320	/nfs/dbraw/zinc/89/93/20/556899320.db2.gz	MNMGNVYHGMLAQL-AWNIVKPZSA-N	-1	2	440.364	1.554	40	10		IDCBLM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000033793216	569259902	/nfs/dbraw/zinc/25/99/02/569259902.db2.gz	HATDPTBMWZTBED-ZEVOCZHWSA-N	-1	2	427.369	1.917	40	10		IDCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000408937087	556896865	/nfs/dbraw/zinc/89/68/65/556896865.db2.gz	MKTZUNSDIKIVHX-WUXMJOGZSA-N	-1	2	427.325	1.674	40	10		IDCBLM
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408956494	556900229	/nfs/dbraw/zinc/90/02/29/556900229.db2.gz	XMMBVTXILVPYHU-NYYWCZLTSA-N	-1	2	442.296	1.604	40	10		IDCBLM
Cn1c(=O)c(C2=NNC(=O)C2=Cc2c(O)c3cccnc3[nH]c2=O)c([O-])c2ccccc21	ZINC000100236401	557253889	/nfs/dbraw/zinc/25/38/89/557253889.db2.gz	AUYZEDZPYRRXEV-XFXZXTDPSA-N	-1	2	429.392	1.104	40	10		IDCBLM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000033793214	569259930	/nfs/dbraw/zinc/25/99/30/569259930.db2.gz	HATDPTBMWZTBED-KSSSLANASA-N	-1	2	427.369	1.917	40	10		IDCBLM
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000409056660	556934358	/nfs/dbraw/zinc/93/43/58/556934358.db2.gz	NEIPMUORKDBTIW-DHDCSXOGSA-N	-1	2	426.381	1.921	40	10		IDCBLM