smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Cl)cc1NCc1c([O-])ccc2ccccc21 ZINC000020545146 171243396 /nfs/dbraw/zinc/24/33/96/171243396.db2.gz HLNGBZIKCYTWBH-UHFFFAOYSA-N -1 3 297.785 5.119 10 10 CKCEHM Cc1c(Cl)cccc1NCc1c([O-])ccc2ccccc21 ZINC000021012066 171287442 /nfs/dbraw/zinc/28/74/42/171287442.db2.gz PVCCQWMVRXOORE-UHFFFAOYSA-N -1 3 297.785 5.119 10 10 CKCEHM Cc1ccc(NCc2c([O-])ccc3ccccc32)cc1Cl ZINC000021012421 171288159 /nfs/dbraw/zinc/28/81/59/171288159.db2.gz IQCWHCMBAGNWMU-UHFFFAOYSA-N -1 3 297.785 5.119 10 10 CKCEHM C[C@@H](Nc1cccc(Cl)c1)c1ccc2ccccc2c1[O-] ZINC000021807347 171328005 /nfs/dbraw/zinc/32/80/05/171328005.db2.gz ADJHOBCLQDZRSD-GFCCVEGCSA-N -1 3 297.785 5.372 10 10 CKCEHM C[C@H](Nc1cccc(Cl)c1)c1ccc2ccccc2c1[O-] ZINC000021807349 171327808 /nfs/dbraw/zinc/32/78/08/171327808.db2.gz ADJHOBCLQDZRSD-LBPRGKRZSA-N -1 3 297.785 5.372 10 10 CKCEHM C[C@@H](Nc1ccccc1Cl)c1ccc2ccccc2c1[O-] ZINC000021810445 171328868 /nfs/dbraw/zinc/32/88/68/171328868.db2.gz HGLFBEXXANQZGT-GFCCVEGCSA-N -1 3 297.785 5.372 10 10 CKCEHM C[C@H](Nc1ccccc1Cl)c1ccc2ccccc2c1[O-] ZINC000021810446 171328895 /nfs/dbraw/zinc/32/88/95/171328895.db2.gz HGLFBEXXANQZGT-LBPRGKRZSA-N -1 3 297.785 5.372 10 10 CKCEHM