smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)[C@H]1C(c2ccccc2)=C(c2ccccc2)S[C@H](c2ccccc2)C1[N+](=O)[O-] ZINC000020458252 568609570 /nfs/dbraw/zinc/60/95/70/568609570.db2.gz RGLABPZDKNDTTA-JBRSBNLGSA-N 0 3 416.546 5.619 10 5 HKBEHN CN(C)[C@H]1C(c2ccccc2)=C(c2ccccc2)S[C@@H](c2ccccc2)C1[N+](=O)[O-] ZINC000035575619 569045242 /nfs/dbraw/zinc/04/52/42/569045242.db2.gz RGLABPZDKNDTTA-LSQMVHIFSA-N 0 3 416.546 5.619 10 5 HKBEHN CN(C)[C@H]1C(c2ccccc2)=C(c2ccccc2)S[C@@H](c2ccccc2)C1[N+](=O)[O-] ZINC000035575626 569045279 /nfs/dbraw/zinc/04/52/79/569045279.db2.gz RGLABPZDKNDTTA-ARNLJNQMSA-N 0 3 416.546 5.619 10 5 HKBEHN