smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000262383094 662708868 /nfs/dbraw/zinc/70/88/68/662708868.db2.gz LSSOLAYDUQSIJY-OLZOCXBDSA-N 2 2 310.402 -1.051 10 30 DAEELP C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000262383094 662708869 /nfs/dbraw/zinc/70/88/69/662708869.db2.gz LSSOLAYDUQSIJY-OLZOCXBDSA-N 2 2 310.402 -1.051 10 30 DAEELP C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000262383091 662708919 /nfs/dbraw/zinc/70/89/19/662708919.db2.gz LSSOLAYDUQSIJY-CHWSQXEVSA-N 2 2 310.402 -1.051 10 30 DAEELP C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000262383091 662708920 /nfs/dbraw/zinc/70/89/20/662708920.db2.gz LSSOLAYDUQSIJY-CHWSQXEVSA-N 2 2 310.402 -1.051 10 30 DAEELP