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)[NH+]=C(Nc1ccccc1)c1ccc(Cl)cc1 ZINC000005839425 520627066 /nfs/dbraw/zinc/62/70/66/520627066.db2.gz GAFACWGMDHCBHZ-GOSISDBHSA-N 2 1 371.956 5.709 40 30 FKEBMP CC[NH+](CC)CCC[C@H](C)[NH+]=C(Nc1ccccc1)c1ccc(Cl)cc1 ZINC000005839573 520632508 /nfs/dbraw/zinc/63/25/08/520632508.db2.gz GAFACWGMDHCBHZ-SFHVURJKSA-N 2 1 371.956 5.709 40 30 FKEBMP