smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(NCCCCCC[NH3+])C(=[NH2+])NCCCCCC[NH3+] ZINC000005187751 170075019 /nfs/dbraw/zinc/07/50/19/170075019.db2.gz OFOXFCBVVSOTOQ-UHFFFAOYSA-N 3 3 284.452 1.158 40 0 CDABHP CN(C)CCC[NH2+]C1CCC([NH2+]CCCN(C)C)CC1 ZINC000001728344 355949988 /nfs/dbraw/zinc/94/99/88/355949988.db2.gz GSRQITHOFKKOPX-UHFFFAOYSA-N 2 3 284.492 1.380 40 0 CDABHP CN(C)[C@@H](C[NH3+])CC1=C(C[C@H](C[NH3+])N(C)C)CCC1 ZINC000019365233 356482619 /nfs/dbraw/zinc/48/26/19/356482619.db2.gz KLCGZEXDANGXJY-HUUCEWRRSA-N 2 3 268.449 1.025 40 0 CDABHP CN(C)[C@H](C[NH3+])CC1=C(C[C@@H](C[NH3+])N(C)C)CCC1 ZINC000019365232 356482653 /nfs/dbraw/zinc/48/26/53/356482653.db2.gz KLCGZEXDANGXJY-GJZGRUSLSA-N 2 3 268.449 1.025 40 0 CDABHP