smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cnc(N2Cc3nccn3C[C@@H](CN(C)C)C2)c(S(=O)(=O)F)c1 ZINC001164734508 720534714 /nfs/dbraw/zinc/53/47/14/720534714.db2.gz JHCKFHWWLHWTQD-GFCCVEGCSA-N 0 3 411.459 0.921 20 70 HCIDHN COC(=O)c1cnc(N2Cc3nccn3C[C@H](CN(C)C)C2)c(S(=O)(=O)F)c1 ZINC001164734509 720534544 /nfs/dbraw/zinc/53/45/44/720534544.db2.gz JHCKFHWWLHWTQD-LBPRGKRZSA-N 0 3 411.459 0.921 20 70 HCIDHN