smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCCNC(=O)CN1CCOCCOCC[NH+](CC(=O)NCCCC(=O)[O-])CCOCCOCC1 ZINC000097983079 554007392 /nfs/dbraw/zinc/00/73/92/554007392.db2.gz BWWXMMXADZKNCP-UHFFFAOYSA-N -1 2 548.634 -1.368 50 0 KAAALM CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-])C(C)C ZINC000136432548 571449386 /nfs/dbraw/zinc/44/93/86/571449386.db2.gz QNZANUZIBYJBIN-XSWJXKHESA-N -1 2 539.546 -2.608 50 0 KAAALM CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-])C(C)C ZINC000136432548 571449385 /nfs/dbraw/zinc/44/93/85/571449385.db2.gz QNZANUZIBYJBIN-XSWJXKHESA-N -1 2 539.546 -2.608 50 0 KAAALM