smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000013765389 210090205 /nfs/dbraw/zinc/09/02/05/210090205.db2.gz GOZOOJYBIIQGLI-HRCADAONSA-N 2 1 388.472 -0.585 1 30 GBEFMP CN(CCC[NH3+])CCCCNC(=O)CC(=O)NCCCCCCNC(N)=[NH2+] ZINC000027526917 207326262 /nfs/dbraw/zinc/32/62/62/207326262.db2.gz QWLMSNKJRBATRA-UHFFFAOYSA-N 2 1 385.557 -0.497 1 30 GBEFMP C[N@@H+](CCC[NH3+])CCCCNC(=O)CC(=O)NCCCCCCNC(N)=[NH2+] ZINC000027526917 207326257 /nfs/dbraw/zinc/32/62/57/207326257.db2.gz QWLMSNKJRBATRA-UHFFFAOYSA-N 3 1 385.557 -0.497 1 30 GBEFMP