smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNc1cc([C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C ZINC000218319180 566845439 /nfs/dbraw/zinc/84/54/39/566845439.db2.gz DBGMPURHHRSBNL-MRXNPFEDSA-N 1 1 282.431 4.620 40 70 CJIBMO CCNc1cc([C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C ZINC000218319259 535523035 /nfs/dbraw/zinc/52/30/35/535523035.db2.gz DBGMPURHHRSBNL-INIZCTEOSA-N 1 1 282.431 4.620 40 70 CJIBMO CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC)c1 ZINC000218320273 567182112 /nfs/dbraw/zinc/18/21/12/567182112.db2.gz TZIWVMNSHYFZEZ-INIZCTEOSA-N 1 1 282.431 4.620 40 70 CJIBMO