smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CNCCO)Nc1ccc(NC(=O)CNCCO)c2c1C(=O)c1ccccc1C2=O ZINC000029569004 563082827 /nfs/dbraw/zinc/08/28/27/563082827.db2.gz YOABGVBDWMDJRH-UHFFFAOYSA-N 0 3 440.456 -0.497 1 10 IBCFHN C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCCC([O-])=C[N+]#N)NC(=O)[C@H](C)NC1=O ZINC000095582623 563187983 /nfs/dbraw/zinc/18/79/83/563187983.db2.gz PMVUKXCTCRLPHW-SDADXPQNSA-N 0 3 434.497 -0.695 1 10 IBCFHN