smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CCC(=O)N([O-])CCCCCNC(=O)CCC(=O)N(O)CCCCCN1 ZINC000005133869 560200820 /nfs/dbraw/zinc/20/08/20/560200820.db2.gz GTADQMQBQBOJIO-UHFFFAOYSA-N -1 3 400.476 0.569 10 30 in-vitro HCEEHM C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(C(=O)[O-])cc2)N1C ZINC000022922455 518272699 /nfs/dbraw/zinc/27/26/99/518272699.db2.gz NUADQGUNDMRJHO-NSHGMRRFSA-N -1 3 412.490 0.288 10 30 biogenic HCEEHM