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=C2C(=O)NC(=S)N2C=C2C(=O)NC(=S)NC2=O)cc1OC ZINC000198728419 569361739 /nfs/dbraw/zinc/36/17/39/569361739.db2.gz MXBMQANSOWJNSK-YHYXMXQVSA-N -2 0 418.456 0.176 10 10 HCCERL