smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc(S(=O)(=O)F)c[n-]2)c1 ZINC001589531333 987202015 /nfs/dbraw/zinc/20/20/15/987202015.db2.gz DGQCYYVZQLPZSR-QMMMGPOBSA-N -2 0 340.332 2.113 20 70 EEIDRL CCc1cc(C(=O)[O-])c(NC(=O)c2cc(S(=O)(=O)F)c[n-]2)s1 ZINC001597443244 987808916 /nfs/dbraw/zinc/80/89/16/987808916.db2.gz KBKMDICWOBBFJN-UHFFFAOYSA-N -2 0 346.361 2.247 20 70 EEIDRL C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc(S(=O)(=O)F)c[n-]2)c1 ZINC001589531331 987202021 /nfs/dbraw/zinc/20/20/21/987202021.db2.gz DGQCYYVZQLPZSR-MRVPVSSYSA-N -2 0 340.332 2.113 20 70 EEIDRL