smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN1CC(=O)[O+]=N1 ZINC000019774263 558280830 /nfs/dbraw/zinc/28/08/30/558280830.db2.gz YXJGLUHQARVIIR-GOSISDBHSA-O 1 3 403.503 1.480 50 30 HDEAHO CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN1CC(=O)[O+]=N1 ZINC000019774265 558280816 /nfs/dbraw/zinc/28/08/16/558280816.db2.gz YXJGLUHQARVIIR-SFHVURJKSA-O 1 3 403.503 1.480 50 30 HDEAHO