smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(OC)c1 ZINC000014948177 568827856 /nfs/dbraw/zinc/82/78/56/568827856.db2.gz DXHBEDXRLVHWFB-NRFANRHFSA-N 1 3 434.577 1.865 50 30 IDEAHO CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2 ZINC000014731401 568827001 /nfs/dbraw/zinc/82/70/01/568827001.db2.gz IWHJSVMPIMARSR-UHFFFAOYSA-N 1 3 440.588 1.989 50 30 IDEAHO C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(OC)c1 ZINC000014948180 568827690 /nfs/dbraw/zinc/82/76/90/568827690.db2.gz DXHBEDXRLVHWFB-OAQYLSRUSA-N 1 3 434.577 1.865 50 30 IDEAHO