smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CO)[N@H+](C)Cc1cn(C)nn1 218147482 490069006 /nfs/dbraw/zinc/06/90/06/490069006.db2.gz DVVVGGVLTLYTMM-SSDOTTSWSA-N 1 2 184.243 -0.372 20 70 ABIDLO C[C@H](CO)[N@@H+](C)Cc1cn(C)nn1 218147482 490069009 /nfs/dbraw/zinc/06/90/09/490069009.db2.gz DVVVGGVLTLYTMM-SSDOTTSWSA-N 1 2 184.243 -0.372 20 70 ABIDLO Cn1c[nH+]cc1Cn1ncn(C)c1=O 160408688 538046607 /nfs/dbraw/zinc/04/66/07/538046607.db2.gz HDVDESTWRFKTEZ-UHFFFAOYSA-N 1 2 193.210 -0.636 20 70 ABIDLO