smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C=C2\SC(=S)N([N-]C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2=O)cc1 ZINC000020247870 555742438 /nfs/dbraw/zinc/74/24/38/555742438.db2.gz NFALSZRQCCTYFV-GDNBJRDFSA-N -1 3 489.556 1.772 10 10 JDCEHM CCOC(=O)CN1c2ccccc2/C(=C2\SC(=S)N([N-]C(=O)c3cccnc3)C2=O)C1=O ZINC000033345835 520780087 /nfs/dbraw/zinc/78/00/87/520780087.db2.gz KYKRDWMFIVDTJX-WUKNDPDISA-N -1 3 468.516 1.908 10 10 JDCEHM