smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261999661 649986237 /nfs/dbraw/zinc/98/62/37/649986237.db2.gz UAUSRLJJWIDZMV-UONOGXRCSA-N 1 3 345.513 -0.084 10 30 EBEEHO C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261999663 649986336 /nfs/dbraw/zinc/98/63/36/649986336.db2.gz UAUSRLJJWIDZMV-ZIAGYGMSSA-N 1 3 345.513 -0.084 10 30 EBEEHO