smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1n(-c2ccccc2)c2ccccc2[n+]1CC#CC[n+]1c(C)n(-c2ccccc2)c2ccccc21 ZINC000032106434 556417812 /nfs/dbraw/zinc/41/78/12/556417812.db2.gz UTTRPQVYFNWQFP-UHFFFAOYSA-N 2 0 468.604 5.470 10 30 JKEERP COc1ccc([NH+]=C(Nc2ccc(OCCC[NH+](C(C)C)C(C)C)cc2)c2ccccc2)cc1 ZINC000001853244 562923442 /nfs/dbraw/zinc/92/34/42/562923442.db2.gz OYXUGQWYGGBANC-UHFFFAOYSA-N 2 0 459.634 6.773 10 30 JKEERP CCCCCCCC[NH+]1CCN(CCCCCCNc2c3ccccc3[nH+]c3ccccc32)CC1 ZINC000049605694 563203069 /nfs/dbraw/zinc/20/30/69/563203069.db2.gz YDSIHVHIPRQJDG-UHFFFAOYSA-N 2 0 474.737 7.338 10 30 JKEERP