smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1ccc([N+](C)(C)CCC(=O)CC[N+](C)(C)c2ccc(CC=C)cc2)cc1 ZINC000004475054 717097867 /nfs/dbraw/zinc/09/78/67/717097867.db2.gz ASEOEGXVKNFXKD-UHFFFAOYSA-N 2 0 406.614 5.327 1 30 HKEFRP CC[N+](CC)(CC)CCC[n+]1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1 ZINC000013601066 717108471 /nfs/dbraw/zinc/10/84/71/717108471.db2.gz XEOXLXOUZMUILO-KOEQRZSOSA-N 2 0 424.416 5.098 1 30 HKEFRP CCCCCCCCCCCCOc1cc(C[N+](C)(C)C)ccc1C[N+](C)(C)C ZINC000072105512 717133542 /nfs/dbraw/zinc/13/35/42/717133542.db2.gz RMVMMJNHPNCEST-UHFFFAOYSA-N 2 0 406.699 6.399 1 30 HKEFRP C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@]2([C@H]([NH3+])C=O)[C@H]1CCC[C@H]([NH2+]C)C1 ZINC000085544946 291282315 /nfs/dbraw/zinc/28/23/15/291282315.db2.gz UXTJCEHLGPWUQL-ANASRUAZSA-N 2 0 412.662 5.096 1 30 biogenic,in-vitro HKEFRP CCCCCCCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCCCCCC ZINC000103233686 717146216 /nfs/dbraw/zinc/14/62/16/717146216.db2.gz PHNPEMZSIUXHSO-UHFFFAOYSA-N 2 0 412.791 7.811 1 30 HKEFRP