smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1CC[NH+](C[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000095466754 568624206 /nfs/dbraw/zinc/62/42/06/568624206.db2.gz DPXARPXNQQMTPQ-FQEVSTJZSA-N 2 2 405.539 1.453 50 10 HDCALP CCOC(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000095466755 568624437 /nfs/dbraw/zinc/62/44/37/568624437.db2.gz DPXARPXNQQMTPQ-HXUWFJFHSA-N 2 2 405.539 1.453 50 10 HDCALP