smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C=CC([C@H](O)NCCC[N+](C)(C)C)=C/C1=C\N=O ZINC000138639154 717151711 /nfs/dbraw/zinc/15/17/11/717151711.db2.gz VXSZESOTZXIIEG-CMPYXILNSA-N 1 3 281.380 0.984 10 5 CCBEHO CN1C=CC([C@@H](O)NCCC[N+](C)(C)C)=C/C1=C/N=O ZINC000137050080 717151428 /nfs/dbraw/zinc/15/14/28/717151428.db2.gz VXSZESOTZXIIEG-YBEMTRGBSA-N 1 3 281.380 0.984 10 5 CCBEHO CN1C=CC([C@@H](O)NCCC[N+](C)(C)C)=C/C1=C\N=O ZINC000138638990 717152121 /nfs/dbraw/zinc/15/21/21/717152121.db2.gz VXSZESOTZXIIEG-YPDDLIOESA-N 1 3 281.380 0.984 10 5 CCBEHO CN1C=CC([C@H](O)NCCC[N+](C)(C)C)=C/C1=C/N=O ZINC000137050042 717151413 /nfs/dbraw/zinc/15/14/13/717151413.db2.gz VXSZESOTZXIIEG-FZDNWWAKSA-N 1 3 281.380 0.984 10 5 CCBEHO