smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000003927081 561686825 /nfs/dbraw/zinc/68/68/25/561686825.db2.gz MOTMANLXYGZJPU-YPZLOKHQSA-N -2 1 735.836 -1.261 1 0 KAAFML O=C(NCC[NH+](CCNC(=O)c1cccc(=O)n1[O-])CCNC(=O)c1cccc(=O)n1[O-])c1cccc(=O)n1[O-] ZINC000005847011 561699492 /nfs/dbraw/zinc/69/94/92/561699492.db2.gz MOHWRCPRCZDYRX-UHFFFAOYSA-N -2 1 557.520 -2.225 1 0 KAAFML Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])C[P@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O ZINC000008035150 561704236 /nfs/dbraw/zinc/70/42/36/561704236.db2.gz CAWZRIXWFRFUQB-SYKDKJQZSA-N -3 1 505.210 -1.518 1 0 KAAFML Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])C[P@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O ZINC000008035150 561704234 /nfs/dbraw/zinc/70/42/34/561704234.db2.gz 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