smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161140111 463403362 /nfs/dbraw/zinc/40/33/62/463403362.db2.gz MMEZOPIAQKQLAW-NJAFHUGGSA-N 2 1 346.471 2.437 40 70 EEIBMP c1cc(CC[NH+]2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)ccn1 ZINC000161391667 463427872 /nfs/dbraw/zinc/42/78/72/463427872.db2.gz TXDSXLZHGJFVGJ-UHFFFAOYSA-N 2 1 345.487 2.364 40 70 EEIBMP