smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCC/C(C)=C/CCCCCCC(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000013742037 221287131 /nfs/dbraw/zinc/28/71/31/221287131.db2.gz BAQLMGVKBKYMNU-RVDMUPIBSA-N -2 2 382.374 4.701 1 0 GJAFLL CC(C)=CCC/C(C)=C/CCCCCCC(P(=O)([O-])O)[P@](=O)([O-])O ZINC000013742037 221287134 /nfs/dbraw/zinc/28/71/34/221287134.db2.gz BAQLMGVKBKYMNU-RVDMUPIBSA-N -2 2 382.374 4.701 1 0 GJAFLL