smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccccc1C[NH2+]C[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O ZINC000077262602 291246237 /nfs/dbraw/zinc/24/62/37/291246237.db2.gz BMLBXJJRQLBVNW-IEIRFRATSA-N 0 3 412.461 3.427 10 10 biogenic HGCEHN O=C([C@@H]1C[C@H](Sc2ccc(F)cc2)CN1Cc1ccccc1O)N1CCOCC1 ZINC000014953065 558681521 /nfs/dbraw/zinc/68/15/21/558681521.db2.gz CJDWLDBEOIFGPX-PMACEKPBSA-N 0 3 416.518 3.125 10 10 HGCEHN COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)N(Cc3ccc(OC)cc3O)C2)cc1 ZINC000014994174 558695588 /nfs/dbraw/zinc/69/55/88/558695588.db2.gz VCZZNCHMMONMDA-UXHICEINSA-N 0 3 416.543 3.233 10 10 HGCEHN