smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccccc1Nc1c2ccccc2nc2ccccc21 ZINC000005314917 181228667 /nfs/dbraw/zinc/22/86/67/181228667.db2.gz XQYXUACMFMBAOZ-UHFFFAOYSA-N 0 3 312.416 6.255 1 10 DKCFHN CCNc1ccc(Nc2c3ccccc3nc3ccccc32)cc1 ZINC000005316680 181228732 /nfs/dbraw/zinc/22/87/32/181228732.db2.gz PCCJXCJNMRZFPH-UHFFFAOYSA-N 0 3 313.404 5.563 1 10 DKCFHN Clc1ccc2c(c1)nc1ccccc1c2NCc1ccccc1 ZINC000096915353 185391505 /nfs/dbraw/zinc/39/15/05/185391505.db2.gz CZKCVLLRRANEBM-UHFFFAOYSA-N 0 3 318.807 5.654 1 10 DKCFHN CCN(CC)c1ccc(/C=C/C2=Nc3ccccc3C2(C)C)cc1 ZINC000096934731 185392686 /nfs/dbraw/zinc/39/26/86/185392686.db2.gz ZDGMHVQZSNAHBQ-DTQAZKPQSA-N 0 3 318.464 5.610 1 10 DKCFHN