smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])COCC(=O)NO 220714418 949563277 /nfs/dbraw/zinc/56/32/77/949563277.db2.gz WUXRNSSSUKTULC-UHFFFAOYSA-N -1 0 149.102 -1.407 20 5 AABDRM O=C([O-])C1(O)CN(CC[N+](=O)[O-])C1 1601726703 1170779568 /nfs/dbraw/zinc/77/95/68/1170779568.db2.gz ZHYQLRNQOMZXLE-UHFFFAOYSA-N -1 0 190.155 -1.606 20 5 AABDRM