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)N1CCOC[C@@]2(CC[C@H](C[NH2+]CC3CC[NH+](Cc4ccccc4)CC3)O2)C1 ZINC000248157329 568747639 /nfs/dbraw/zinc/74/76/39/568747639.db2.gz JEFKPHAOILDNGR-JWQCQUIFSA-N 2 3 415.622 3.147 40 0 HGABHP