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)[NH+]=C(N)NC(NCCCOc2ccc([N+](=O)[O-])cc2)=[NH+]1 ZINC000001577779 257231357 /nfs/dbraw/zinc/23/13/57/257231357.db2.gz MOZANNGWWCMKHH-UHFFFAOYSA-N 2 0 320.353 0.963 40 5 DCBBRP C[N+](C)(C)CCOC(=O)CCCC(=O)OCC[N+](C)(C)C ZINC000003153069 395682293 /nfs/dbraw/zinc/68/22/93/395682293.db2.gz ZVUGHBKYQDHRPU-UHFFFAOYSA-N 2 0 304.431 0.656 40 5 DCBBRP CC[NH+](CC)CCNc1n[n+](=O)c2cc([N+](=O)[O-])ccc2n1O ZINC000104279685 395778320 /nfs/dbraw/zinc/77/83/20/395778320.db2.gz IUBWKIAONFKNLZ-UHFFFAOYSA-N 2 0 323.333 0.378 40 5 DCBBRP