smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C[NH2+][C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCC(O)CC4)N3C2)cc1 ZINC000022937011 522211671 /nfs/dbraw/zinc/21/16/71/522211671.db2.gz RIDWXCXFLYDMIR-DWLFOUALSA-N 1 0 443.592 0.547 10 10 biogenic ICCERO CN(C)c1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CC[C@@H](O)C2)[N@@H+]3C)cc1 ZINC000035442587 522182592 /nfs/dbraw/zinc/18/25/92/522182592.db2.gz RETPFXXVWVMYSB-GNXKAVGDSA-N 1 0 443.592 0.499 10 10 biogenic ICCERO