smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[C@H](NC(=O)c1cc(I)ccc1[O-])C(=O)[O-] ZINC000236448975 960617056 /nfs/dbraw/zinc/61/70/56/960617056.db2.gz RXGYCUIFKGJPJP-VIFPVBQESA-N -2 1 359.119 1.203 10 30 FDEEML O=C([O-])C(=O)CC(=O)c1cc(C(=O)CC(=O)C(=O)[O-])c2ccccc2n1 ZINC000584624456 551524810 /nfs/dbraw/zinc/52/48/10/551524810.db2.gz KKCMCSXBCPQRHA-LRSUZXNRSA-N -2 1 357.274 1.653 10 30 FDEEML C#CC[C@@H](NC(=O)c1cc(I)ccc1[O-])C(=O)[O-] ZINC000236433329 960591710 /nfs/dbraw/zinc/59/17/10/960591710.db2.gz RXGYCUIFKGJPJP-SECBINFHSA-N -2 1 359.119 1.203 10 30 FDEEML