smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CC[NH2+]CC[NH2+]CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000003931302 561687523 /nfs/dbraw/zinc/68/75/23/561687523.db2.gz RZJSJPYMWLAWOL-UHFFFAOYSA-N 2 2 596.556 2.881 1 5 KFBFLP C[NH+](C)CCNC(=O)c1ccc(NCC[NH2+]CC[NH2+]CCN2C(=O)c3cccc4cccc(c43)C2=O)c2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12 ZINC000049639652 562667754 /nfs/dbraw/zinc/66/77/54/562667754.db2.gz JZFPYANFCYZJHQ-UHFFFAOYSA-N 3 2 678.750 2.921 1 5 KFBFLP CC1(C)Cc2cc3[nH]c(cc4[nH+]c(cc5[nH]c(cc1[nH+]2)cc5C(=O)NCC[NH3+])CC4(C)C)cc3C(=O)NCC[NH3+] ZINC000049783638 562683151 /nfs/dbraw/zinc/68/31/51/562683151.db2.gz DGHJTIHPDRBGSO-UHFFFAOYSA-N 4 2 542.688 2.732 1 5 KFBFLP CC1(C)Cc2cc3[nH]c(cc4[nH+]c(cc5[nH]c(cc1n2)cc5C(=O)NCC[NH3+])CC4(C)C)cc3C(=O)NCC[NH3+] ZINC000049783638 562683150 /nfs/dbraw/zinc/68/31/50/562683150.db2.gz DGHJTIHPDRBGSO-UHFFFAOYSA-N 3 2 542.688 2.732 1 5 KFBFLP CC1(C)Cc2cc3[nH]c(cc4[nH+]c(cc5nc(cc1[nH]2)cc5C(=O)NCC[NH3+])CC4(C)C)cc3C(=O)NCC[NH3+] ZINC000049783638 562683149 /nfs/dbraw/zinc/68/31/49/562683149.db2.gz DGHJTIHPDRBGSO-UHFFFAOYSA-N 3 2 542.688 2.732 1 5 KFBFLP