smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCn1cc[n+](CC(=[NH2+])NO)c1 ZINC000409415880 571150449 /nfs/dbraw/zinc/15/04/49/571150449.db2.gz BLRSXFDYHBKILI-UHFFFAOYSA-N 2 2 351.559 4.823 50 30 FJEALP COc1ccccc1/C=[NH+]/CCCCCC/[NH+]=C/c1ccccc1OC ZINC000018118520 524323542 /nfs/dbraw/zinc/32/35/42/524323542.db2.gz YLFYIZXDURIZQE-GJHDBBOXSA-N 2 2 352.478 4.802 50 30 FJEALP