smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@H]1CC[N@H+](CCC[NH3+])C1 160218661 486974412 /nfs/dbraw/zinc/97/44/12/486974412.db2.gz TWMFFFRYVFSYIC-VIFPVBQESA-N 2 0 185.271 -0.454 10 70 ABIERP CC(=O)N[C@@H]1CC[N@H+](CCC[NH3+])C1 160218525 486974925 /nfs/dbraw/zinc/97/49/25/486974925.db2.gz TWMFFFRYVFSYIC-SECBINFHSA-N 2 0 185.271 -0.454 10 70 ABIERP