smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCOC(=O)NCCCCCCNC(=O)OCC[N+](C)(C)C ZINC000004216469 717097589 /nfs/dbraw/zinc/09/75/89/717097589.db2.gz MBWXZXUOKTXXBU-UHFFFAOYSA-P 2 0 376.542 1.412 10 5 in-man GDBERP C[N+]1(CCC(=O)N2CCN(C(=O)CC[N+]3(C)CCCCC3)CC2)CCCCC1 ZINC000006068241 717103379 /nfs/dbraw/zinc/10/33/79/717103379.db2.gz INFHJNAPJIZFKS-UHFFFAOYSA-N 2 0 394.604 1.698 10 5 GDBERP