smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(C)cc2)CC1 ZINC000036340649 518305711 /nfs/dbraw/zinc/30/57/11/518305711.db2.gz WGUQSBXNTQKQLP-QFIPXVFZSA-N 2 2 422.573 2.379 10 30 HEEELP C#CCOC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(C)cc2)CC1 ZINC000036340651 518312284 /nfs/dbraw/zinc/31/22/84/518312284.db2.gz WGUQSBXNTQKQLP-JOCHJYFZSA-N 2 2 422.573 2.379 10 30 HEEELP