smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=O)N(Cc3ccco3)C1=O)n(C)c(=O)n(C)c2=O	ZINC000009312885	569521906	/nfs/dbraw/zinc/52/19/06/569521906.db2.gz	JMUILCLCISUVSR-YFHOEESVSA-N	-1	0	442.392	-1.357	50	10		IACARM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O	ZINC000013540864	569290547	/nfs/dbraw/zinc/29/05/47/569290547.db2.gz	NFXAJWJJNLWLOV-LHBOOPKSSA-N	-1	0	443.369	-1.867	50	10	world	IACARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CN[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)C2=O)cc1	ZINC000020610925	519836809	/nfs/dbraw/zinc/83/68/09/519836809.db2.gz	QBDUZKIFDIEYBR-PTXQCKOHSA-N	-1	0	435.433	-1.334	50	10	biogenic	IACARM
O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([O-])c(CN3CCOCC3)c2o1	ZINC000095454535	569368391	/nfs/dbraw/zinc/36/83/91/569368391.db2.gz	ANPGXMKMIUIRKX-JQAJVKEVSA-N	-1	0	439.417	-1.491	50	10		IACARM