smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-] ZINC001588859423 984405332 /nfs/dbraw/zinc/40/53/32/984405332.db2.gz LEIPCHTVQVMZTG-SECBINFHSA-N -1 0 320.298 0.059 20 70 DCIDRM Cc1ccc(-c2nc(NC(=O)[C@H]3CCS(=O)(=O)C3)n[nH]2)o1 ZINC000160325073 416008131 /nfs/dbraw/zinc/00/81/31/416008131.db2.gz HMTAXBMXSSOXHC-QMMMGPOBSA-N -1 0 310.335 0.746 20 70 DCIDRM COc1cc(C(=O)NC(C)(C)C(=O)[O-])ccc1S(=O)(=O)F ZINC001594050415 957979852 /nfs/dbraw/zinc/97/98/52/957979852.db2.gz IQSGSZZNTORXAS-UHFFFAOYSA-N -1 0 319.310 0.946 20 70 DCIDRM C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C(=O)[O-] ZINC001603425568 973149737 /nfs/dbraw/zinc/14/97/37/973149737.db2.gz REIRDDRAZQTCPN-CBAPKCEASA-N -1 0 318.326 0.856 20 70 DCIDRM Cc1c(Br)c(C(=O)[O-])nn1CCS(=O)(=O)F ZINC001599970168 985993686 /nfs/dbraw/zinc/99/36/86/985993686.db2.gz NYGVSUIFLDMSNF-UHFFFAOYSA-N -1 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