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+](C)(C)CCCCCC[n+]1ccc(Cc2ccccc2)cc1 ZINC000033852566 717122555 /nfs/dbraw/zinc/12/25/55/717122555.db2.gz QMVPJCCGZOTSHF-UHFFFAOYSA-N 2 0 312.501 3.832 10 5 DHBERP Cc1c2c(cc[n+]1CCC[N+]1(C)CCCCC1)[C@@H]1C=CC=CC1=N2 ZINC000101119228 717144637 /nfs/dbraw/zinc/14/46/37/717144637.db2.gz DHGWYSLKSILWKE-SFHVURJKSA-N 2 0 323.484 3.599 10 5 DHBERP C[N+]1(CCC[n+]2cc3ccccc3c3ccccc32)CCCC1 ZINC000006068237 717103645 /nfs/dbraw/zinc/10/36/45/717103645.db2.gz OTAYUSILRISJDX-UHFFFAOYSA-N 2 0 306.453 3.911 10 5 DHBERP C[N+](C)(C)CCC[n+]1ccc(CC[C@@H]2C=Cc3ccccc32)cc1 ZINC000003620896 181042082 /nfs/dbraw/zinc/04/20/82/181042082.db2.gz SJGJGZZOTOTFCO-OAQYLSRUSA-N 2 0 322.496 3.814 10 5 DHBERP C[N+](C)(C)CCC[n+]1ccc(CC[C@H]2C=Cc3ccccc32)cc1 ZINC000003620894 181042209 /nfs/dbraw/zinc/04/22/09/181042209.db2.gz SJGJGZZOTOTFCO-NRFANRHFSA-N 2 0 322.496 3.814 10 5 DHBERP