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]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(OC2CCOCC2)cc1 ZINC000161142610 564118011 /nfs/dbraw/zinc/11/80/11/564118011.db2.gz BSDGIYBDHXKABB-WDSOQIARSA-N 1 3 346.515 3.768 50 70 EHIAHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(OC2CCOCC2)cc1 ZINC000161142374 564118008 /nfs/dbraw/zinc/11/80/08/564118008.db2.gz BSDGIYBDHXKABB-UHOSZYNNSA-N 1 3 346.515 3.768 50 70 EHIAHO Cc1cc(CN2CCN(C)[C@@H](C)C2)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000217657697 241268246 /nfs/dbraw/zinc/26/82/46/241268246.db2.gz ZMIRHZXAXZAZEX-IBGZPJMESA-N 1 3 343.559 3.671 50 70 EHIAHO