smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183666590 1071821617 /nfs/dbraw/zinc/82/16/17/1071821617.db2.gz SAOWQAABFOZFSC-SECBINFHSA-N -2 3 400.325 -1.369 20 30 HAEDHL [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183666604 1071821595 /nfs/dbraw/zinc/82/15/95/1071821595.db2.gz SAOWQAABFOZFSC-VIFPVBQESA-N -2 3 400.325 -1.369 20 30 HAEDHL