smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)NC(=O)/C1=C\C=CC=CC1C(=O)NC(=S)N=C1[O-] ZINC000100496246 222244706 /nfs/dbraw/zinc/24/47/06/222244706.db2.gz LFYHUCUXVULCOB-ZPUQHVIOSA-N -2 1 350.381 -1.297 50 10 FACAML O=C1[N-]C(=S)NC(=O)/C1=C/C=CC=CC1C(=O)NC(=S)N=C1[O-] ZINC000100496246 222244703 /nfs/dbraw/zinc/24/47/03/222244703.db2.gz LFYHUCUXVULCOB-ZPUQHVIOSA-N -2 1 350.381 -1.297 50 10 FACAML