smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=O)cc(C(=O)NCCNc2cccnc2)n(C)c1=O ZINC000095497480 185374416 /nfs/dbraw/zinc/37/44/16/185374416.db2.gz QBGDEQPYVJFNPG-UHFFFAOYSA-N 0 0 303.322 -0.679 50 0 DBAARN CN(Cc1[nH]nc2c1CCC2)C(=O)c1cc(=O)n(C)c(=O)n1C ZINC000095506168 185375476 /nfs/dbraw/zinc/37/54/76/185375476.db2.gz IMTIFQXSVOTNFV-UHFFFAOYSA-N 0 0 317.349 -0.432 50 0 DBAARN Cc1nccn1CCN(C)C(=O)Cn1ncc(N(C)C)cc1=O ZINC000095507003 185375601 /nfs/dbraw/zinc/37/56/01/185375601.db2.gz GDLOIOLVVBKXFZ-UHFFFAOYSA-N 0 0 318.381 -0.027 50 0 DBAARN O=C([O-])[C@@H]1C[C@H](NC(=O)Cn2ncc3ccccc3c2=O)C[NH2+]1 ZINC000095527665 185378553 /nfs/dbraw/zinc/37/85/53/185378553.db2.gz FDCIIJONUGTSRU-JQWIXIFHSA-N 0 0 316.317 -0.672 50 0 DBAARN CC(C)CN1C[C@H](C(=O)NCCc2nc(N)n[nH]2)CCC1=O ZINC000426444869 412492137 /nfs/dbraw/zinc/49/21/37/412492137.db2.gz DNILSYXSHQQPRV-SNVBAGLBSA-N 0 0 308.386 -0.060 50 0 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