smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@H](C)Nc1c(C)cnc2cc(C)c(C)cc21 ZINC000001729646 563407870 /nfs/dbraw/zinc/40/78/70/563407870.db2.gz MJXLLGCODJAHOJ-SFHVURJKSA-N 1 3 327.516 5.082 40 0 EKABHO CC[NH+](CC)CCC[C@@H](C)Nc1c(C)cnc2cc(C)c(C)cc21 ZINC000002044404 563419485 /nfs/dbraw/zinc/41/94/85/563419485.db2.gz MJXLLGCODJAHOJ-GOSISDBHSA-N 1 3 327.516 5.082 40 0 EKABHO