smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(Cc1ccccc1O)C3)[C@H](O)[C@@H]2O	ZINC000097976612	553971679	/nfs/dbraw/zinc/97/16/79/553971679.db2.gz	RIDQRFDMOHAVTI-ZJMRJBKSSA-N	-1	0	588.702	-0.164	40	10		KBCBRM
O=C1[N-]C(=O)C(=CNNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1	ZINC000103766620	555473402	/nfs/dbraw/zinc/47/34/02/555473402.db2.gz	UAYRTTXOZVQRST-UHFFFAOYSA-N	-1	0	573.544	-0.004	40	10		KBCBRM
O=C1C[C@@H]2O[C@H](CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225443449	571814333	/nfs/dbraw/zinc/81/43/33/571814333.db2.gz	WWDQMRPGGSJQSA-ZHOJGHLISA-N	-1	0	648.710	-0.598	40	10		KBCBRM