smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cncc1C[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000216929804 376575580 /nfs/dbraw/zinc/57/55/80/376575580.db2.gz RONRYISMVCFPRS-UHFFFAOYSA-N 2 2 307.442 -0.006 50 70 DBIALP Cc1[nH+]c[nH]c1CN1CC[N@@H+](CCC(=O)N(C)C)C[C@@H](O)C1 ZINC000217434729 376591140 /nfs/dbraw/zinc/59/11/40/376591140.db2.gz NIRWZBQWPBPSTJ-CYBMUJFWSA-N 2 2 309.414 -0.325 50 70 DBIALP Cc1[nH+]c[nH]c1CN1CC[N@H+](CCC(=O)N(C)C)C[C@@H](O)C1 ZINC000217434729 376591151 /nfs/dbraw/zinc/59/11/51/376591151.db2.gz NIRWZBQWPBPSTJ-CYBMUJFWSA-N 2 2 309.414 -0.325 50 70 DBIALP