smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(I)cc3)CC2)C(=O)N1 ZINC000026006223 556239919 /nfs/dbraw/zinc/23/99/19/556239919.db2.gz WJLRTFJPHDSXAF-QHCPKHFHSA-N 1 1 488.369 3.878 30 0 JHACMO O=C1CC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(I)cc3)CC2)C(=O)N1 ZINC000026006228 556239953 /nfs/dbraw/zinc/23/99/53/556239953.db2.gz WJLRTFJPHDSXAF-HSZRJFAPSA-N 1 1 488.369 3.878 30 0 JHACMO