smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000015679432 555944815 /nfs/dbraw/zinc/94/48/15/555944815.db2.gz BNEQNCUKCNWWBB-UHFFFAOYSA-N 2 0 470.614 2.051 50 10 biogenic JECARP CC[NH+](CC)Cc1cc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)ccc1OC ZINC000014732554 520744297 /nfs/dbraw/zinc/74/42/97/520744297.db2.gz RUMVYJKYUJZZFZ-SDHOMARFSA-N 2 0 494.636 2.311 50 10 JECARP