smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1C(=O)C(=CNCCCN2CC[NH+](C)CC2)C(=O)NC1=S ZINC000730971390 658050242 /nfs/dbraw/zinc/05/02/42/658050242.db2.gz WIVOIRBTBDTMNN-OUKQBFOZSA-N 1 2 369.491 -1.013 20 10 FACDLO CN1C(=O)C(=CNNc2ccc(S(N)(=O)=O)c[nH+]2)C(=O)N(C)C1=O ZINC000914868018 658050195 /nfs/dbraw/zinc/05/01/95/658050195.db2.gz INTHKNNOJGEXQA-UHFFFAOYSA-N 1 2 354.348 -1.420 20 10 FACDLO