smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(CC(=O)c2ccc(-c3ccc(C(=O)C[N+]4(C)CCC(O)CC4)cc3)cc2)CCC(O)CC1 ZINC000575629713 717184992 /nfs/dbraw/zinc/18/49/92/717184992.db2.gz ZQDOYMGJUDWSLL-UHFFFAOYSA-N 2 0 466.622 2.922 10 30 JFEERP CC(=O)OCC[N+](C)(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)CCOC(C)=O)cc2)cc1 ZINC000169323171 717155398 /nfs/dbraw/zinc/15/53/98/717155398.db2.gz KMONKSLVDZAFCX-UHFFFAOYSA-N 2 0 498.620 2.998 10 30 JFEERP