smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[NH+](CCCC)CCCOc1ccc(NC(=[NH+]c2ccccc2)c2ccccc2)cc1 ZINC000027190228 563040953 /nfs/dbraw/zinc/04/09/53/563040953.db2.gz NLOMHYGAAXBGRI-UHFFFAOYSA-N 2 1 457.662 7.548 10 30 JKEEMP CCCCCCCCN1CC[NH+](CCCCCCNc2c3ccccc3[nH+]c3ccccc32)CC1 ZINC000049605694 563203070 /nfs/dbraw/zinc/20/30/70/563203070.db2.gz YDSIHVHIPRQJDG-UHFFFAOYSA-N 2 1 474.737 7.338 10 30 JKEEMP