smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)[N-]C(=O)C(=CNC(CO)(CO)CO)C2=O)cc1 ZINC000005558825 482716921 /nfs/dbraw/zinc/71/69/21/482716921.db2.gz KGDRYRNPXBOJKW-SDQBBNPISA-N -1 0 365.342 -1.533 50 10 FACARM Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=O)NC1=O)n(C)c(=O)n(C)c2=O ZINC000008971048 204350935 /nfs/dbraw/zinc/35/09/35/204350935.db2.gz ZCHXYLMDNAXYHK-UHFFFAOYSA-N -1 0 362.306 -2.023 50 10 FACARM CCNC(=S)N1CCN(CCNC=C2C(=O)[N-]C(=O)NC2=O)CC1 ZINC000019359412 482546447 /nfs/dbraw/zinc/54/64/47/482546447.db2.gz QOXPUBUTINBRQP-UHFFFAOYSA-N -1 0 354.436 -1.662 50 10 FACARM Cn1c([O-])c(C=CC=CC=C2C(=O)N(C)C(=O)N(C)C2=O)c(=O)n(C)c1=O ZINC000685944809 571104504 /nfs/dbraw/zinc/10/45/04/571104504.db2.gz ZSAFDCSUCOBDLC-SBIWHPGTSA-N -1 0 373.345 -1.291 50 10 FACARM