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@H+](Cc1ccccc1O)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055370488 369516548 /nfs/dbraw/zinc/51/65/48/369516548.db2.gz TUNXYINGEGMWPU-DOTOQJQBSA-N 2 1 288.435 3.089 50 10 CGCAMP C[NH+](Cc1ccccc1O)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055370488 369516550 /nfs/dbraw/zinc/51/65/50/369516550.db2.gz TUNXYINGEGMWPU-DOTOQJQBSA-N 2 1 288.435 3.089 50 10 CGCAMP C[NH+](Cc1ccccc1O)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055370488 369516553 /nfs/dbraw/zinc/51/65/53/369516553.db2.gz TUNXYINGEGMWPU-DOTOQJQBSA-N 2 1 288.435 3.089 50 10 CGCAMP Oc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000058166884 369557196 /nfs/dbraw/zinc/55/71/96/369557196.db2.gz PEZATUMKVOFZTR-UHFFFAOYSA-N 2 1 296.414 3.146 50 10 CGCAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000534584201 328311586 /nfs/dbraw/zinc/31/15/86/328311586.db2.gz XASFBYXOOKSBAC-AWEZNQCLSA-N 2 1 299.418 3.085 50 10 CGCAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000534584202 328311652 /nfs/dbraw/zinc/31/16/52/328311652.db2.gz XASFBYXOOKSBAC-CQSZACIVSA-N 2 1 299.418 3.085 50 10 CGCAMP