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](Oc1ccccc1C=N[O-])C1=CC=C[CH]1 ZINC001234820600 978907965 /nfs/dbraw/zinc/90/79/65/978907965.db2.gz XRDJVTVQDDGHGX-LLVKDONJSA-N -2 1 228.271 2.962 20 30 BFEDML C[C@@H](Oc1cc([O-])ccc1C#N)C1=CC=C[CH]1 ZINC001228008847 963656817 /nfs/dbraw/zinc/65/68/17/963656817.db2.gz ZVRDGSYAKNQYHV-SNVBAGLBSA-N -2 1 226.255 2.732 20 30 BFEDML C[C@H](Oc1ccccc1C=N[O-])C1=CC=C[CH]1 ZINC001234820602 978906807 /nfs/dbraw/zinc/90/68/07/978906807.db2.gz XRDJVTVQDDGHGX-NSHDSACASA-N -2 1 228.271 2.962 20 30 BFEDML