smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)c1ccc(CCNC=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000060862081 658026621 /nfs/dbraw/zinc/02/66/21/658026621.db2.gz BBZUJBSYBIHPOP-UHFFFAOYSA-N -1 1 354.413 -1.119 20 10 FACDMM COCCN1C(=O)/C(=C/NNS(=O)(=O)C(C)C)C(=O)[N-]C1=S ZINC000749969815 658461650 /nfs/dbraw/zinc/46/16/50/658461650.db2.gz ZVEBAHJUGMSBKG-SOFGYWHQSA-N -1 1 350.422 -1.408 20 10 FACDMM COCCN1C(=O)/C(=C\NNS(=O)(=O)C(C)C)C(=O)[N-]C1=S ZINC000749969834 658461633 /nfs/dbraw/zinc/46/16/33/658461633.db2.gz ZVEBAHJUGMSBKG-VURMDHGXSA-N -1 1 350.422 -1.408 20 10 FACDMM