smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CC(N)=O)n(C)c1=O ZINC000010387067 211169778 /nfs/dbraw/zinc/16/97/78/211169778.db2.gz OTAXHAZHLXBFSS-UHFFFAOYSA-N 1 1 331.336 -1.236 50 30 EAEAMO [NH3+]CCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[NH3+])C(=O)[O-] ZINC000013507674 374255279 /nfs/dbraw/zinc/25/52/79/374255279.db2.gz MVORZMQFXBLMHM-QWRGUYRKSA-N 1 1 340.384 -1.066 50 30 world EAEAMO Cn1c2nc(N3CC[NH+](CCO)CC3)n(CCC#N)c2c(=O)[nH]c1=O ZINC000170624257 415228866 /nfs/dbraw/zinc/22/88/66/415228866.db2.gz VULIAEAJSNNTEB-UHFFFAOYSA-N 1 1 347.379 -1.549 50 30 EAEAMO