smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000157883521 523222655 /nfs/dbraw/zinc/22/26/55/523222655.db2.gz CWOTYFHEZXPBOL-FUNVUKJBSA-N 2 1 309.797 2.963 10 5 DFBEMP C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000157883521 523222664 /nfs/dbraw/zinc/22/26/64/523222664.db2.gz CWOTYFHEZXPBOL-FUNVUKJBSA-N 2 1 309.797 2.963 10 5 DFBEMP