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4427 OC1=NC=NC(=O)O1 O=C=[N]=C[N]C(=O)O Oc1ncnc(=O)o1 43.96562
|
4429 CC1=C(C)OC(=N)N1 [NH][C@H]1OC(=C(N1)C)C N=c1[nH]c(c(o1)C)C 2.169616
|
4430 CC1=C(C)OC(=N)O1 [NH][C@@H]1OC(=C(O1)C)C Cc1oc(=N)oc1C 6.694668
|
4435 CC1=C(N)OC(=N)N1 [NH][C@@H]1NC(=C(O1)N)C Nc1oc(=N)[nH]c1C 9.892618
|
4436 CC1=C(N)OC(=N)O1 [NH][C@@H]1OC(=C(O1)C)N N=c1oc(c(o1)C)N 24.28270
|
4439 CC1=C(O)NC(=N)O1 [NH][C@@H]1NC(=C(O1)C)O Cc1oc(=N)[nH]c1O 2.217198
|
4441 CC1=C(O)OC(=N)O1 [NH][C@@H]1OC(=C(O1)C)O N=c1oc(c(o1)C)O 2.353085
|
4444 NC1=C(N)OC(=N)N1 [NH][C@@H]1OC(=C(N1)N)N N=c1[nH]c(c(o1)N)N 9.911494
|
4445 NC1=C(N)OC(=N)O1 [NH][C@@H]1OC(=C(O1)N)N Nc1oc(=N)oc1N 13.15412
|
4450 NC1=C(O)OC(=N)N1 [NH][C@@H]1NC(=C(O1)O)N Oc1oc(=N)[nH]c1N 2.177737
|
4451 NC1=C(O)OC(=N)O1 [NH][C@@H]1OC(=C(O1)N)O N=c1oc(c(o1)N)O 9.804340
|
4555 CN1C=C(C)OC1=N CC1=CN([C@H](O1)[NH])C Cc1cn(c(=N)o1)C 1.989097
|
4558 CN1C=C(N)OC1=N NC1=CN([C@@H](O1)[NH])C Cn1cc(oc1=N)N 2.155060
|
4561 CN1C=C(O)OC1=N CN1C=C(O[C@H]1[NH])O Cn1cc(oc1=N)O 2.270764
|
4607 NC1=COC(=N)C=C1 [NH]C1=CC=C(CO1)N NC1=COC(=CC1)[NH] 2.305794
|
4613 OC1=CNC(=N)C=N1 [NH]C1=CN=C(CN1)O Oc1c[nH]c(=N)cn1 2.042197
|
4623 CN1C=NC(=N)N=C1 CN1CN=C(N=C1)[NH] N=c1ncn(cn1)C 2.761573
|
4625 N=C1NC(=CO1)C#C [NH][C@H]1NC(=CO1)C#C N=c1occ([nH]1)C#C 1.710520
|
4626 N=C1NC=C(O1)C#C [NH][C@@H]1NC=C(O1)C#C N=c1oc(c[nH]1)C#C 1.843883
|
4627 N=C1NC=C(O1)C#N [NH][C@@H]1NC=C(O1)C#N N=c1oc(c[nH]1)C#N 33.04949
|
4628 N=C1OC=C(O1)C#C [NH][C@@H]1OC(=CO1)C#C N=c1oc(co1)C#C 1.939296
|
4629 N=C1OC=C(O1)C#N [NH][C@@H]1OC(=CO1)C#N N=c1oc(co1)C#N 1.912968
|
4635 N=C1NC=C(O1)C=O [NH][C@@H]1NC=C(O1)C=O N=c1oc(c[nH]1)C=O 1.885485
|
4636 N=C1OC=C(O1)C=O [NH][C@@H]1OC(=CO1)C=O N=c1oc(co1)C=O 1.965683
|
4807 [NH3+]CC1=CC([O-])=CO1 O=C1[CH]OC(=C)[CH]1.N [NH3]Cc1cc(co1)[O] 43.95153
|
4871 [NH3+]CC1=CC=C([O-])O1 C=C1C=CC(=O)O1.N [NH3]CC1=C[CH]C(=O)O1 27.38015
|
4872 [NH3+]CC1=CN=C([O-])O1 C=C1C=NC(=O)O1.N [NH3]Cc1c[nH]c(=O)o1 26.76632
|
4876 CCC1=CNC(=N)O1 CCC1=CN[C@H](O1)[NH] CCc1c[nH]c(=N)o1 2.674060
|
4879 CCC1=COC(=N)N1 CCC1=CO[C@H](N1)[NH] CCc1coc(=N)[nH]1 1.976975
|
4880 CCC1=COC(=N)O1 CCC1=CO[C@H](O1)[NH] CCc1coc(=N)o1 2.814395
|
4883 CNC1=CNC(=N)O1 CNC1=CN[C@@H](O1)[NH] CNc1c[nH]c(=N)o1 2.494312
|
4885 CNC1=COC(=N)O1 CNC1=CO[C@@H](O1)[NH] CNc1coc(=N)o1 2.739600
|
4888 COC1=CNC(=N)O1 COC1=CN[C@@H](O1)[NH] COc1c[nH]c(=N)o1 2.580442
|
4891 COC1=COC(=N)N1 COC1=CO[C@H](N1)[NH] COc1coc(=N)[nH]1 42.07659
|
4892 COC1=COC(=N)O1 COC1=CO[C@H](O1)[NH] COc1coc(=N)o1 2.539748
|
4895 OCC1=CNC(=N)O1 [NH][C@@H]1NC=C(O1)CO OCc1c[nH]c(=N)o1 2.691705
|
4898 OCC1=COC(=N)N1 [NH][C@@H]1NC(=CO1)CO OCc1coc(=N)[nH]1 9.840714
|
4899 OCC1=COC(=N)O1 [NH][C@H]1OC(=CO1)CO OCc1coc(=N)o1 6.713877
|
4939 [NH3+]CC1=COC([O-])=C1 NCC1=COC(=O)C1 [NH3]CC1=COC(=O)[CH]1 7.742121
|
4940 [NH3+]CC1=COC([O-])=N1 NCc1coc(=O)[nH]1 [NH3]CC1=NC(=O)O[CH]1 7.881709
|
4997 CC1=CN=COC1=N CC1=C([NH])OC=NC1 Cc1cncoc1=N 2.523043
|
5003 NC1=CC=COC1=N [NH]C1=C(N)CC=CO1 N=c1occcc1N 7.568133
|
5006 NC1=CN=COC1=N [NH]C1=C(N)CN=CO1 Nc1cncoc1=N 7.589966
|
5011 OC1=CC=COC1=N OC1=C([NH])OC=CC1 N=c1occcc1O 2.850392
|
5013 OC1=CN=CNC1=N OC1=C([NH])NC=NC1 Oc1cnc[nH]c1=N 26.34572
|
5014 OC1=CN=COC1=N OC1=C([NH])OC=NC1 Oc1cncoc1=N 6.594616
|
5016 OC1=NC=CNC1=N [NH]C1=C(O)N=CCN1 N=c1[nH]ccnc1O 1.981295
|
5020 CC1=CNC=NC1=N CC1=CNCN=C1[NH] CC1=C([NH])N=CNC1 1.930144
|
5023 CC1=COC=NC1=N CC1=C([NH])N=COC1 Cc1cocnc1=N 1.834324
|
5026 NC1=CNC=NC1=N [NH]C1=NCNC=C1N [NH]C1=C(N)CNC=N1 9.933395
|
5032 OC1=CNC=NC1=N OC1=CNCN=C1[NH] OC1=C([NH])N=CNC1 34.03142
|
5034 [O-]C1=COC=CC1=[NH2+] N[C]1C=CO[CH]C1=O NC1=CCOC=C1[O] 4.400425
|
5040 CN1C=NC=NC1=N CN1CN=CN=C1[NH] Cn1cncnc1=N 2.263643
|
5100 CN1C(=N)OC=C1C CN1[C@H]([NH])OC=C1C Cn1c(C)coc1=N 1.773153
|
5101 CN1C(=N)OC=C1O CN1[C@H]([NH])OC=C1O Cn1c(O)coc1=N 2.324490
|
5279 NC(=N)C1=CC=CO1 NC(=N)c1ccco1 [NH]C(=[NH2])c1ccco1 14.67638
|
5280 NC(=N)C1=CN=CO1 NC(=N)c1cnco1 [NH]C(=[NH2])c1cnco1 10.10054
|
5281 NC(=N)C1=NC=CO1 NC(=N)c1ncco1 [NH]C(=[NH2])c1ncco1 2.191705
|
5292 NC(=N)C1=COC=N1 NC(=N)c1cocn1 [NH]C(=[NH2])c1cocn1 2.246388
|
5367 CN=C1C=CNC=N1 C[N]C1=NCNC=C1 C[N]C1=CCNC=N1 24.90071
|
5370 CN=C1N=CNC=N1 C[N]C1=NCNC=N1 CN=c1nc[nH]cn1 48.11893
|
5373 CN=C1NC=NC=N1 C[N]C1=NC=NCN1 CN=c1ncnc[nH]1 2.742095
|
5374 CN=C1OC=CC=C1 C[N]C1=CCC=CO1 CN=c1cccco1 7.507562
|
5418 N=C1NC=CN1C=O [NH][C@@H]1NC=CN1C=O N=c1[nH]ccn1C=O 1.991999
|
5419 N=C1OC=CN1C=O [NH][C@@H]1OC=CN1C=O N=c1occn1C=O 2.000812
|
5557 [NH3+]CC1=C([O-])C=CO1 C=C1OC=CC1=O.N [NH3]Cc1occc1[O] 35.49056
|
5598 [NH3+]CC1=C([O-])OC=C1 NCc1ccoc1O [NH3]C[C]1C=COC1=O 8.191265
|
5599 [NH3+]CC1=C([O-])OC=N1 O=C1OC=NC1=C.N [NH3]C[C]1N=COC1=O 25.20800
|
5631 [NH3+]CC1=COC=C1[O-] NCc1cocc1O [NH3]Cc1cocc1[O] 7.967447
|
5642 CCN1C=COC1=N CCN1C=CO[C@H]1[NH] CCn1ccoc1=N 1.687344
|
5730 N=C1OC=C2CCN12 [NH][C@@H]1OC[C@@H]2N1CC2 N=C1O[CH][C]2N1CC2 7.304731
|
6006 CC([NH3+])(C#C)C([O-])=O C[C@](C(=O)O)(C#C)N C[C@](C(=O)[O])(C#C)[NH3] 14.56729
|
6009 CC(O)(C#N)C(N)=N C[C@](C(=N)N)(C#N)O C[C@](C(=[NH2])[NH])(C#N)O 6.804084
|
6035 CC(N)(C[NH3+])C([O-])=O C[C@](C(=O)O)(CN)N C[C@](C(=O)[O])(C[NH3])N 15.13502
|
6036 CC([NH3+])(CO)C([O-])=O OC[C@](C(=O)O)(N)C OC[C@](C(=O)[O])([NH3])C 14.40019
|
6037 CC(O)(C[NH3+])C([O-])=O C[C@](C(=O)O)(CN)O C[C@](C(=O)[O])(C[NH3])O 15.81947
|
6041 CCC(C)([NH3+])C([O-])=O C[C@](C(=O)O)(CC)N C[C@](C(=O)[O])(CC)[NH3] 14.61999
|
6044 C[NH2+]C(C)(C)C([O-])=O CNC(C(=O)O)(C)C C[NH2]C(C(=O)[O])(C)C 15.22085
|
6061 CC(N)=[NH+]CC([O-])=O OC(=O)CN=C(N)C CC(=[NH2])NCC(=O)[O] 6.511813
|
6062 NC(N)=[NH+]CC([O-])=O OC(=O)CN=C(N)N NC(=[NH2])NCC(=O)[O] 8.781085
|
6063 CC(=[NH2+])NCC([O-])=O OC(=O)CN=C(N)C CC(=[NH2])NCC(=O)[O] 8.905279
|
6073 NC(=[NH2+])CCC([O-])=O NC(=N)CCC(=O)O NC(=[NH2])CCC(=O)[O] 17.68927
|
6074 NC(=[NH2+])NCC([O-])=O OC(=O)CN=C(N)N NC(=[NH2])NCC(=O)[O] 9.173588
|
6081 CC([NH3+])C#CC([O-])=O C[C@H](C#CC(=O)O)N C[C@H](C#CC(=O)[O])[NH3] 10.95945
|
6093 CC(C)[NH2+]CC([O-])=O CC(NCC(=O)O)C CC([NH2]CC(=O)[O])C 10.75029
|
6096 CC([NH3+])CCC([O-])=O C[C@H](CCC(=O)O)N C[C@H](CCC(=O)[O])[NH3] 16.50713
|
6103 C[NH+](C)CCC([O-])=O CN(CCC(=O)O)C C[NH](CCC(=O)[O])C 16.44283
|
6245 NC(=N)NC(=O)C#C NC(=N)NC(=O)C#C [NH]C(=[NH2])NC(=O)C#C 11.34422
|
6253 NC(=N)NC(=O)C=O NC(=N)NC(=O)C=O [NH]C(=[NH2])NC(=O)C=O 8.997913
|
6314 [NH3+]C(CC([O-])=O)C#C N[C@H](C#C)CC(=O)O [NH3][C@H](C#C)CC(=O)[O] 7.406751
|
6324 CN(CC([O-])=O)C=[NH2+] CN1CC(=O)O[C@H]1N CN(C=[NH2])CC(=O)[O] 23.13316
|
6330 C[NH+]=C(N)CC([O-])=O CNC(=[NH2])[CH2].O=C=O CNC(=[NH2])CC(=O)[O] 21.36736
|
6344 CCC(=O)NC(N)=N CCC(=O)NC(=N)N CCC(=O)NC(=[NH2])[NH] 11.72798
|
6346 CNC(=[NH2+])CC([O-])=O CNC(=[NH2])[CH2].O=C=O CNC(=[NH2])CC(=O)[O] 32.18605
|
6358 COC(=O)NC(N)=N COC(=O)NC(=N)N COC(=O)NC(=[NH2])[NH] 21.71021
|
6360 NC(=N)NC(=O)CO NC(=N)NC(=O)CO [NH]C(=[NH2])NC(=O)CO 12.48623
|
6385 CC(C[NH3+])CC([O-])=O C[C@@H](CN)CC(=O)O C[C@@H](C[NH3])CC(=O)[O] 22.62574
|
6398 CCC([NH3+])CC([O-])=O CC[C@H](CC(=O)O)N CC[C@H](CC(=O)[O])[NH3] 8.232232
|
6401 CC[NH+](C)CC([O-])=O CN(CC)CC(=O)O C[NH](CC)CC(=O)[O] 11.56161
|
6402 C[NH2+]C(C)CC([O-])=O C[C@H](NC)CC(=O)O C[C@H]([NH2]C)CC(=O)[O] 7.625856
|
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