smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNc1ccc2c(C[NH+](CCO)CCO)nn3c2c1c(=O)c1c(O)cccc13 ZINC000003800746 562938243 /nfs/dbraw/zinc/93/82/43/562938243.db2.gz GZECVGRSJOAKSP-UHFFFAOYSA-N 2 2 439.516 0.904 1 5 ICBFLP Cn1cc(NC(=O)c2cc(NC(=[NH2+])C[N+](C)(C)C)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000028230520 563051895 /nfs/dbraw/zinc/05/18/95/563051895.db2.gz WSZLRJJLJLINOI-UHFFFAOYSA-O 3 2 430.537 0.767 1 5 ICBFLP