smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc([C@@H](C)N[C@@H]2CCc3sc(Cl)cc32)c1 ZINC000160144516 327595953 /nfs/dbraw/zinc/59/59/53/327595953.db2.gz DFGVLJFMXKALIO-BXUZGUMPSA-N 0 3 291.847 5.048 20 70 CKIDHN Cc1cc([C@@H](C)NCc2cc(F)cc(Cl)c2)c(C)s1 ZINC000160877878 330878486 /nfs/dbraw/zinc/87/84/86/330878486.db2.gz FZTHYVSECGRRHJ-SNVBAGLBSA-N 0 3 297.826 5.008 20 70 CKIDHN Cc1cc([C@H](C)NCc2cc(F)cc(Cl)c2)c(C)s1 ZINC000160878019 330878512 /nfs/dbraw/zinc/87/85/12/330878512.db2.gz FZTHYVSECGRRHJ-JTQLQIEISA-N 0 3 297.826 5.008 20 70 CKIDHN CC[C@@H](NCc1cccc2cc[nH]c21)c1ccc(Cl)cc1 ZINC000218095001 333126836 /nfs/dbraw/zinc/12/68/36/333126836.db2.gz PMQZOLKLZFQVHI-QGZVFWFLSA-N 0 3 298.817 5.062 20 70 CKIDHN CC[C@H](NCc1cccc2cc[nH]c21)c1ccc(Cl)cc1 ZINC000218095084 333126828 /nfs/dbraw/zinc/12/68/28/333126828.db2.gz PMQZOLKLZFQVHI-KRWDZBQOSA-N 0 3 298.817 5.062 20 70 CKIDHN CC[C@@H](NCc1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000218105859 333126981 /nfs/dbraw/zinc/12/69/81/333126981.db2.gz DRTUZNHDPMHRDD-QGZVFWFLSA-N 0 3 298.817 5.062 20 70 CKIDHN CC[C@H](NCc1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000218105933 333127041 /nfs/dbraw/zinc/12/70/41/333127041.db2.gz DRTUZNHDPMHRDD-KRWDZBQOSA-N 0 3 298.817 5.062 20 70 CKIDHN