smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(SC[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1)c1ccco1 ZINC000218036116 571352194 /nfs/dbraw/zinc/35/21/94/571352194.db2.gz CGAHYFYWVIGNKW-DOTOQJQBSA-N 1 1 371.506 4.284 50 70 biogenic FIIAMO Cc1ccccc1-c1cccc(C[N@H+]2CCCn3nc([C@H](C)O)cc3C2)c1 ZINC000218097188 568217088 /nfs/dbraw/zinc/21/70/88/568217088.db2.gz FXTWXJFBDREBTL-SFHVURJKSA-N 1 1 361.489 4.318 50 70 FIIAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCCn3nc([C@H](C)O)cc3C2)c1 ZINC000218097188 568217089 /nfs/dbraw/zinc/21/70/89/568217089.db2.gz FXTWXJFBDREBTL-SFHVURJKSA-N 1 1 361.489 4.318 50 70 FIIAMO Cc1ccccc1-c1cccc(C[N@H+]2CCCn3nc([C@@H](C)O)cc3C2)c1 ZINC000218097111 568217101 /nfs/dbraw/zinc/21/71/01/568217101.db2.gz FXTWXJFBDREBTL-GOSISDBHSA-N 1 1 361.489 4.318 50 70 FIIAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCCn3nc([C@@H](C)O)cc3C2)c1 ZINC000218097111 568217102 /nfs/dbraw/zinc/21/71/02/568217102.db2.gz FXTWXJFBDREBTL-GOSISDBHSA-N 1 1 361.489 4.318 50 70 FIIAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-n2cccc2)ccc1Cl ZINC000218038113 568215533 /nfs/dbraw/zinc/21/55/33/568215533.db2.gz WNKWXSRAMBWISV-OXJNMPFZSA-N 1 1 371.912 4.125 50 70 biogenic FIIAMO