smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](O)C[NH2+]CCNc1ccc(NCC[NH2+]C[C@H](C)O)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000005386710 562933945 /nfs/dbraw/zinc/93/39/45/562933945.db2.gz JUYSBXZDJLEGDD-OKILXGFUSA-N 2 0 472.542 0.638 10 10 JCCERP C[C@@H](O)C[NH2+]CCNc1ccc(NCC[NH2+]C[C@@H](C)O)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000005386711 562933878 /nfs/dbraw/zinc/93/38/78/562933878.db2.gz JUYSBXZDJLEGDD-ZIAGYGMSSA-N 2 0 472.542 0.638 10 10 JCCERP C[C@H](O)C[NH2+]CCNc1ccc(NCC[NH2+]C[C@H](C)O)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000005386712 562933884 /nfs/dbraw/zinc/93/38/84/562933884.db2.gz JUYSBXZDJLEGDD-KBPBESRZSA-N 2 0 472.542 0.638 10 10 JCCERP