smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Sc1ccc([C@@H](C)NC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000216863857 241215282 /nfs/dbraw/zinc/21/52/82/241215282.db2.gz MMSKCAMVHRKRMB-QLFBSQMISA-N 0 0 336.501 4.067 20 70 EIIDRN