smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)CC[NH2+][N+](C)(C)C 3129738 168086660 /nfs/dbraw/zinc/08/66/60/168086660.db2.gz UBIBSCGLWOVZDO-UHFFFAOYSA-N 2 2 161.225 -0.240 50 5 ABBALP C[N+]12CC[NH+](CC1)CC2 1606292 342951648 /nfs/dbraw/zinc/95/16/48/342951648.db2.gz JNSNZDTWADRPFR-UHFFFAOYSA-N 2 2 127.211 -0.238 50 5 ABBALP