smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCN1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000029337248 202185713 /nfs/dbraw/zinc/18/57/13/202185713.db2.gz LUNIICHAJRHSEG-UHFFFAOYSA-N 2 1 330.432 0.639 1 0 ECAFMP COc1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OCCC[NH3+] ZINC000028019236 202164442 /nfs/dbraw/zinc/16/44/42/202164442.db2.gz CTXNPYSCDAXUNX-UHFFFAOYSA-N 2 1 333.392 0.977 1 0 ECAFMP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)[N@H+]2C1 ZINC000040895243 213398716 /nfs/dbraw/zinc/39/87/16/213398716.db2.gz KGICILLGXCZOKO-HJWJTTGWSA-N 2 1 344.459 0.762 1 0 ECAFMP