smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCC([NH2+]Cc3ccc4c(c3)CCCO4)CC2)nc(N)[nH+]1 ZINC000095357424 132207526 /nfs/dbraw/zinc/20/75/26/132207526.db2.gz BEWYHSCKUVHMNO-UHFFFAOYSA-N 2 0 353.470 2.451 50 10 FECARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccccc3O)C[C@@H]2CCO)CC1 ZINC000023358315 211384752 /nfs/dbraw/zinc/38/47/52/211384752.db2.gz LKWULCJLDSAUCB-FQEVSTJZSA-N 2 0 361.530 2.134 50 10 FECARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccccc3O)C[C@H]2CCO)CC1 ZINC000104465389 543132281 /nfs/dbraw/zinc/13/22/81/543132281.db2.gz LKWULCJLDSAUCB-HXUWFJFHSA-N 2 0 361.530 2.134 50 10 FECARP