smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)N=C(NCCCOc2ccc([N+](=O)[O-])cc2)NC(N)=[NH+]1 ZINC000001577779 257231360 /nfs/dbraw/zinc/23/13/60/257231360.db2.gz MOZANNGWWCMKHH-UHFFFAOYSA-N 1 3 320.353 0.963 40 5 DCBBHO CCN(CC)CCNc1n[n+](=O)c2cc([N+](=O)[O-])ccc2n1O ZINC000104279685 395778325 /nfs/dbraw/zinc/77/83/25/395778325.db2.gz IUBWKIAONFKNLZ-UHFFFAOYSA-N 1 3 323.333 0.378 40 5 DCBBHO