smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CC(C)C)[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000217597807 571601786 /nfs/dbraw/zinc/60/17/86/571601786.db2.gz JMXMFWMSRKNQRT-SCBFFQEMSA-N 1 0 525.605 3.769 50 70 KHIARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3ccccc3)[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000217598466 571601792 /nfs/dbraw/zinc/60/17/92/571601792.db2.gz FDHNRASITDMHQQ-FWJDVTLZSA-N 1 0 559.622 3.965 50 70 KHIARO