smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000121146723 442182277 /nfs/dbraw/zinc/18/22/77/442182277.db2.gz LYDTYINHVWCOSB-ZDUSSCGKSA-N 1 3 336.432 1.646 10 10 EDCEHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000121146723 442182281 /nfs/dbraw/zinc/18/22/81/442182281.db2.gz LYDTYINHVWCOSB-ZDUSSCGKSA-N 1 3 336.432 1.646 10 10 EDCEHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000121146877 442182581 /nfs/dbraw/zinc/18/25/81/442182581.db2.gz LYDTYINHVWCOSB-CYBMUJFWSA-N 1 3 336.432 1.646 10 10 EDCEHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000121146877 442182585 /nfs/dbraw/zinc/18/25/85/442182585.db2.gz LYDTYINHVWCOSB-CYBMUJFWSA-N 1 3 336.432 1.646 10 10 EDCEHO