smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(N)NN=C1C=CC(=NNC(N)=[NH2+])C=C1 ZINC000006058710 181191796 /nfs/dbraw/zinc/19/17/96/181191796.db2.gz XRDACVXCOKISDA-UHFFFAOYSA-N 1 3 220.240 -1.209 50 30 BAEAHO N=C(N)NN=Cc1ccc(C=NNC(N)=[NH2+])[nH]1 ZINC000067317218 181187879 /nfs/dbraw/zinc/18/78/79/181187879.db2.gz VHOFJWKBUMBGJO-NPJRDEIVSA-N 1 3 235.255 -1.561 50 30 BAEAHO CN(C)CCCNC1=[NH+]CC(O)CN1 ZINC000521396850 387926678 /nfs/dbraw/zinc/92/66/78/387926678.db2.gz LQWDGEPGLKCRCJ-UHFFFAOYSA-N 1 3 200.286 -1.152 50 30 BAEAHO