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@@]1(CCC(=O)OCC[N+]2(C)CCCCC2)OC[C@H](C[N+]2(C)CCCCC2)O1 ZINC000031600527 717120616 /nfs/dbraw/zinc/12/06/16/717120616.db2.gz UXDMLQCURQMTMA-RBBKRZOGSA-N 2 0 398.588 2.702 10 5 GFBERP C[C@@]1(CCC(=O)OCC[N+]2(C)CCCCC2)OC[C@@H](C[N+]2(C)CCCCC2)O1 ZINC000031600516 206303394 /nfs/dbraw/zinc/30/33/94/206303394.db2.gz UXDMLQCURQMTMA-IFMALSPDSA-N 2 0 398.588 2.702 10 5 GFBERP C[N+]1(C[C@@H]2CO[C@@H](CC[C@H]3OC[C@@H](C[N+]4(C)CCCCC4)O3)O2)CCCCC1 ZINC000031555586 717119778 /nfs/dbraw/zinc/11/97/78/717119778.db2.gz ZPVUHNJPKLKEET-YSFYHYPLSA-N 2 0 398.588 2.511 10 5 GFBERP C[C@]1(CCC(=O)OCC[N+]2(C)CCCCC2)OC[C@H](C[N+]2(C)CCCCC2)O1 ZINC000031600532 204903324 /nfs/dbraw/zinc/90/33/24/204903324.db2.gz UXDMLQCURQMTMA-UNMCSNQZSA-N 2 0 398.588 2.702 10 5 GFBERP C[C@]1(CCC(=O)OCC[N+]2(C)CCCCC2)OC[C@@H](C[N+]2(C)CCCCC2)O1 ZINC000031600521 212160669 /nfs/dbraw/zinc/16/06/69/212160669.db2.gz UXDMLQCURQMTMA-IRLDBZIGSA-N 2 0 398.588 2.702 10 5 GFBERP