smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(/N=C\c2cc(Cl)cc(Cl)c2O)c(C)c1 ZINC000000101050 169535929 /nfs/dbraw/zinc/53/59/29/169535929.db2.gz VENOCYFXAFJXGK-LSCVHKIXSA-N 0 1 294.181 5.066 10 30 CKEEMN CCCCCCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000003162048 519960219 /nfs/dbraw/zinc/96/02/19/519960219.db2.gz IGHJZBZGHASTQU-LICLKQGHSA-N 0 1 288.218 5.088 10 30 CKEEMN CCCCO[C@@]1(CCC)C=CC(/N=C/c2ccccc2)=CC1 ZINC000071791720 176263460 /nfs/dbraw/zinc/26/34/60/176263460.db2.gz ZFCZCFVGTWRJSD-HKRCYGBASA-N 0 1 297.442 5.305 10 30 CKEEMN CCCCO[C@]1(CCC)C=CC(/N=C/c2ccccc2)=CC1 ZINC000071791721 176263453 /nfs/dbraw/zinc/26/34/53/176263453.db2.gz ZFCZCFVGTWRJSD-VBIUYMIYSA-N 0 1 297.442 5.305 10 30 CKEEMN