smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2c(Nc3ccccc3)c(C)c(C)[nH+]c12 ZINC000217443161 567168849 /nfs/dbraw/zinc/16/88/49/567168849.db2.gz MOHVRHYVFNDULK-UHFFFAOYSA-N 1 0 262.356 4.904 40 70 CJIBRO CCc1c(C)[nH+]c2ccccc2c1Nc1ccccc1 ZINC000217443239 567167948 /nfs/dbraw/zinc/16/79/48/567167948.db2.gz RVHHKGXDXYWZAV-UHFFFAOYSA-N 1 0 262.356 4.849 40 70 CJIBRO CCNc1cc([C@@H](C)[N@H+](C)Cc2ccccc2)ccc1C ZINC000218319180 566845426 /nfs/dbraw/zinc/84/54/26/566845426.db2.gz DBGMPURHHRSBNL-MRXNPFEDSA-N 1 0 282.431 4.620 40 70 CJIBRO CCNc1cc([C@H](C)[N@H+](C)Cc2ccccc2)ccc1C ZINC000218319259 535523022 /nfs/dbraw/zinc/52/30/22/535523022.db2.gz DBGMPURHHRSBNL-INIZCTEOSA-N 1 0 282.431 4.620 40 70 CJIBRO CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC)c1 ZINC000218320273 567182101 /nfs/dbraw/zinc/18/21/01/567182101.db2.gz TZIWVMNSHYFZEZ-INIZCTEOSA-N 1 0 282.431 4.620 40 70 CJIBRO