smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CN3CC(=O)[O+]=N3)C2)cc1OC ZINC000019638816 558947676 /nfs/dbraw/zinc/94/76/76/558947676.db2.gz CPCAIHLYJFCVSI-MRXNPFEDSA-O 1 3 405.475 0.850 50 30 HCEAHO COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CN3CC(=O)[O+]=N3)C2)cc1OC ZINC000019638821 558947696 /nfs/dbraw/zinc/94/76/96/558947696.db2.gz CPCAIHLYJFCVSI-INIZCTEOSA-O 1 3 405.475 0.850 50 30 HCEAHO