smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)NCCNC(=O)C[NH3+])cc1C2=O ZINC000040424261 563142748 /nfs/dbraw/zinc/14/27/48/563142748.db2.gz RZXXZXPUQKDFOC-UHFFFAOYSA-N 1 3 494.508 -1.929 1 10 JACFHO NCC(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)NCCNC(=O)C[NH3+])ccc1C2=O ZINC000040872569 563151423 /nfs/dbraw/zinc/15/14/23/563151423.db2.gz UACGXWNPXOERHI-UHFFFAOYSA-N 1 3 494.508 -1.929 1 10 JACFHO