smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[N+]12CC[N+](CCN)(CC1)CC2 ZINC000073370090 717134403 /nfs/dbraw/zinc/13/44/03/717134403.db2.gz JPXGYDGIZFCOAA-UHFFFAOYSA-N 2 1 325.585 3.527 1 30 EHEFMP Cc1cc(NC(N[C@H]2NC=CS2)=[NH+]C(C)(C)C)c2ccccc2[nH+]1 ZINC000101177123 204002784 /nfs/dbraw/zinc/00/27/84/204002784.db2.gz BTUDHKWPMCEHCY-QGZVFWFLSA-N 2 1 341.484 3.600 1 30 EHEFMP N#CCCC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000036093185 213061290 /nfs/dbraw/zinc/06/12/90/213061290.db2.gz HNUBNQUQWGZIPJ-UHFFFAOYSA-N 2 1 325.378 3.563 1 30 EHEFMP N#CCCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000036093185 213061293 /nfs/dbraw/zinc/06/12/93/213061293.db2.gz HNUBNQUQWGZIPJ-UHFFFAOYSA-N 2 1 325.378 3.563 1 30 EHEFMP