smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000004214174 194384860 /nfs/dbraw/zinc/38/48/60/194384860.db2.gz ILZSJEITWDWIRX-FOMYWIRZSA-N 1 2 473.610 2.450 10 30 in-man JEEELO COc1ccc(NS(=O)(=O)c2ccc(N[NH2+]C(C)=CC(=O)N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000009562861 524693512 /nfs/dbraw/zinc/69/35/12/524693512.db2.gz ZWMFZFXHJIEZRF-PXLXIMEGSA-N 1 2 491.526 2.441 10 30 JEEELO