smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3(C#N)CC3)CC2)C1=O ZINC000096077138 282101305 /nfs/dbraw/zinc/10/13/05/282101305.db2.gz RNFIOOLZCFWDPE-UHFFFAOYSA-N 2 2 347.463 -0.013 40 30 EBEBLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3(C#N)CC3)CC2)C1=O ZINC000096077138 282101307 /nfs/dbraw/zinc/10/13/07/282101307.db2.gz RNFIOOLZCFWDPE-UHFFFAOYSA-N 2 2 347.463 -0.013 40 30 EBEBLP