smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)CNC(N)=O)cc1 ZINC001123234792 792949155 /nfs/dbraw/zinc/94/91/55/792949155.db2.gz AVUMZZYZDOPQLL-UHFFFAOYSA-N 1 1 348.367 -1.455 20 10 EACDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)CC(N)=O)cc1 ZINC001125084941 786043283 /nfs/dbraw/zinc/04/32/83/786043283.db2.gz OPUUJYZYBGVWCB-UHFFFAOYSA-N 1 1 333.352 -1.248 20 10 EACDMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001307928167 789150315 /nfs/dbraw/zinc/15/03/15/789150315.db2.gz GKNNWWGTZWRCGL-OKILXGFUSA-N 1 1 347.419 -1.113 20 10 EACDMO