smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3ccc(Cl)cc3nc3c2CCCC3)cc1 ZINC000028863605 717116225 /nfs/dbraw/zinc/11/62/25/717116225.db2.gz SRSKXXPERFQRQE-UHFFFAOYSA-O 1 1 609.235 6.456 1 50 KKGFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000238749877 717162610 /nfs/dbraw/zinc/16/26/10/717162610.db2.gz CLZXVJIVXLPLPS-UITGYBSKSA-N 1 1 672.242 7.874 1 50 KKGFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000238745765 717162268 /nfs/dbraw/zinc/16/22/68/717162268.db2.gz CLZXVJIVXLPLPS-WHNUPTRFSA-N 1 1 672.242 7.874 1 50 KKGFMO