smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OC[C@H]1O[C@@H]([S-])[C@@H](O)[C@@H](O)[C@H]1O 4507566 571825366 /nfs/dbraw/zinc/82/53/66/571825366.db2.gz JUSMHIGDXPKSID-URLGYRAOSA-N -1 3 196.224 -2.284 1 30 AAEFHM O=C1[C@@H]2C[C@@H](CN2)N1[O-] 27868474 169392549 /nfs/dbraw/zinc/39/25/49/169392549.db2.gz OOZYGTATWYQPIZ-IMJSIDKUSA-N -1 3 128.131 -1.052 1 30 AAEFHM C[S@@](=O)CC[C@H](N)C(=O)N[O-] 27107149 171046175 /nfs/dbraw/zinc/04/61/75/171046175.db2.gz QULLSDJATCUSMU-AUIPBDMJSA-N -1 3 180.229 -1.412 1 30 AAEFHM