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6406 [NH3+]C(CO)CC([O-])=O OC[C@@H](CC(=O)O)N OC[C@@H](CC(=O)[O])[NH3] 8.050372
|
6407 NCC([NH3+])CC([O-])=O N[C@H](CN)CC(=O)O [NH3][C@H](CN)CC(=O)[O] 8.640539
|
6408 [NH3+]CC(O)CC([O-])=O NC[C@H](CC(=O)O)O [NH3]C[C@H](CC(=O)[O])O 46.86399
|
6493 CC1(CC([O-])=O)C[NH2+]1 C[C@@]1(CC(=O)O)CN1 C[C@@]1(CC(=O)[O])C[NH2]1 11.85458
|
6497 [NH3+]C1(CC([O-])=O)CC1 OC(=O)CC1(N)CC1 [O]C(=O)CC1([NH3])CC1 9.444906
|
6665 [O-]C(=O)C[NH2+]CC#C C#CCNCC(=O)O C#CC[NH2]CC(=O)[O] 9.267239
|
6684 [O-]C(=O)C[NH2+]CC=O O=CCNCC(=O)O O=CC[NH2]CC(=O)[O] 9.841095
|
6723 C[NH+]=CNCC([O-])=O CNC=NCC(=O)O CN[CH]NCC(=O)[O] 6.647155
|
6726 NC=[NH+]CCC([O-])=O N[C]NCCC(=O)O [O]C(=O)CCNC=[NH2] 27.07776
|
6733 [NH3+]CC#CCC([O-])=O [CH2]C#C[CH2].O=C=O.N [NH3]CC#CCC(=O)[O] 25.72257
|
6742 CNC=[NH+]CC([O-])=O CNC=NCC(=O)O CN[CH]NCC(=O)[O] 6.561465
|
6751 C[NH2+]CC#CC([O-])=O CNCC#CC(=O)O C[NH2]CC#CC(=O)[O] 11.36931
|
6755 [NH3+]CCC#CC([O-])=O NCCC#CC(=O)O [NH3]CCC#CC(=O)[O] 16.50533
|
6773 CCC[NH2+]CC([O-])=O CCCNCC(=O)O CCC[NH2]CC(=O)[O] 10.01249
|
6776 CC[NH2+]CCC([O-])=O CCNCCC(=O)O CC[NH2]CCC(=O)[O] 16.27072
|
6779 C[NH2+]CCCC([O-])=O CNCCCC(=O)O C[NH2]CCCC(=O)[O] 27.59901
|
6790 [NH3+]CCCCC([O-])=O NCCCCC(=O)O [NH3]CCCCC(=O)[O] 42.92208
|
6791 NCC[NH2+]CC([O-])=O NCCNCC(=O)O NCC[NH2]CC(=O)[O] 10.89613
|
6792 [NH3+]CCOCC([O-])=O NCCOCC(=O)O [NH3]CCOCC(=O)[O] 22.68301
|
6793 OCC[NH2+]CC([O-])=O OCCNCC(=O)O OCC[NH2]CC(=O)[O] 10.15780
|
7120 C[NH2+]CC(=O)[CH-]C=O CNCC(=CC=O)O C[NH2]CC(=O)[CH]C=O 7.503735
|
7207 CC#CC(=O)C(N)=N CC#CC(=O)C(=N)N CC#CC(=O)C(=[NH2])[NH] 1.946090
|
7215 CC#CC([NH3+])C([O-])=O CC#C[C@H](C(=O)O)N CC#C[C@H](C(=O)[O])[NH3] 14.37562
|
7224 NC(=N)C(=O)CC#C NC(=N)C(=O)CC#C [NH]C(=[NH2])C(=O)CC#C 25.58119
|
7225 NC(=N)C(=O)CC#N NC(=N)C(=O)CC#N [NH]C(=[NH2])C(=O)CC#N 9.368969
|
7234 NC(=N)C(=N)OC=O [NH][C](C(=N)N)OC=O [NH]C(=[NH2])C(=N)OC=O 8.459016
|
7235 NC(=N)C(=O)CC=O NC(=N)C(=O)CC=O [NH]C(=[NH2])C(=O)CC=O 5.221142
|
7236 NC(=N)C(=O)NC=N N=CNC(=O)C(=N)N N=CNC(=O)C(=[NH2])[NH] 52.66031
|
7237 NC(=N)C(=O)NC=O NC(=N)C(=O)NC=O [NH]C(=[NH2])C(=O)NC=O 5.850399
|
7238 NC(=N)C(=O)OC=N [NH][CH]OC(=O)C(=N)N N=COC(=O)C(=[NH2])[NH] 11.64041
|
7245 [O-]C(=O)C(=N)NC=[NH2+] [NH]C(=[N]=CN)C(=O)O [O]C(=O)C(=N)NC=[NH2] 15.41694
|
7301 [NH3+]C(CC#C)C([O-])=O N[C@H](C(=O)O)CC#C [NH3][C@H](C(=O)[O])CC#C 14.01920
|
7306 CC(NC=[NH2+])C([O-])=O C[C@H](C(=O)O)N=CN C[C@H](C(=O)[O])NC=[NH2] 6.811508
|
7316 CC([NH+]=CN)C([O-])=O C[C@H](C(=O)O)N=CN C[C@H](C(=O)[O])NC=[NH2] 7.881291
|
7323 CCCC(=O)C(N)=N CCCC(=O)C(=N)N CCCC(=O)C(=[NH2])[NH] 2.441828
|
7328 CCNC(=O)C(N)=N CCNC(=O)C(=N)N CCNC(=O)C(=[NH2])[NH] 3.632590
|
7333 CCOC(=O)C(N)=N CCOC(=O)C(=N)N CCOC(=O)C(=[NH2])[NH] 2.345377
|
7337 COCC(=O)C(N)=N COCC(=O)C(=N)N COCC(=O)C(=[NH2])[NH] 47.70925
|
7339 NC(=N)C(=O)CCO NC(=N)C(=O)CCO [NH]C(=[NH2])C(=O)CCO 10.00011
|
7360 CC(CC[NH3+])C([O-])=O C[C@H](C(=O)O)CCN C[C@H](C(=O)[O])CC[NH3] 21.38018
|
7365 CCCC([NH3+])C([O-])=O CCC[C@H](C(=O)O)N CCC[C@H](C(=O)[O])[NH3] 13.42488
|
7370 CC[NH2+]C(C)C([O-])=O C[C@@H](C(=O)O)NCC C[C@@H](C(=O)[O])[NH2]CC 10.23379
|
7376 C[NH2+]CC(N)C([O-])=O NC=C.O=C=O.NC C[NH2]C[C@H](C(=O)[O])N 56.58602
|
7377 C[NH2+]CC(O)C([O-])=O CNC[C@H](C(=O)O)O C[NH2]C[C@H](C(=O)[O])O 15.62834
|
7380 COCC([NH3+])C([O-])=O COC[C@H](C(=O)O)N COC[C@H](C(=O)[O])[NH3] 53.94172
|
7384 [NH3+]C(CCO)C([O-])=O OCC[C@@H](C(=O)O)N OCC[C@@H](C(=O)[O])[NH3] 12.73587
|
7385 [NH3+]CCC(O)C([O-])=O NCC[C@H](C(=O)O)O [NH3]CC[C@H](C(=O)[O])O 42.79106
|
7401 CC(=O)C(=O)C(N)=N NC(=N)C(=O)C(=O)C [NH]C(=[NH2])C(=O)C(=O)C 6.389033
|
7403 NC(=N)C(=O)C(N)=N O=C(C(=N)N)C(=N)N O=C(C(=[NH2])[NH])C(=[NH2])[NH] 44.15597
|
7404 NC(=N)C(=O)C(N)=O O=C(C(=O)N)C(=N)N O=C(C(=O)N)C(=[NH2])[NH] 41.45398
|
7410 CC(C(N)=[NH2+])C([O-])=O C[CH]C(=[NH2])N.O=C=O NC(=[NH2])[C@@H](C(=O)[O])C 22.46114
|
7417 NC(=[NH2+])C(O)C([O-])=O O[CH]C(=[NH2])N.O=C=O NC(=[NH2])[C@H](C(=O)[O])O 38.71269
|
7419 NC(C(N)=[NH2+])C([O-])=O N[CH]C(=[NH2])N.O=C=O NC(=[NH2])[C@@H](C(=O)[O])N 34.09174
|
7421 NC(=O)C([NH3+])C([O-])=O N[C@@H](C(=O)O)C(=O)N [NH3][C@@H](C(=O)[O])C(=O)N 28.91025
|
7423 CC(C)C(=O)C(N)=N CC(C(=O)C(=N)N)C CC(C(=O)C(=[NH2])[NH])C 8.970072
|
7426 CC(O)C(=O)C(N)=N C[C@H](C(=O)C(=N)N)O C[C@H](C(=O)C(=[NH2])[NH])O 8.892047
|
7431 CN(C)C(=O)C(N)=N CN(C(=O)C(=N)N)C CN(C(=O)C(=[NH2])[NH])C 10.56415
|
7441 CC(C)C([NH3+])C([O-])=O N[C@@H](C(=O)O)C(C)C [NH3][C@@H](C(=O)[O])C(C)C 14.26927
|
7446 CC([NH+](C)C)C([O-])=O C[C@H](C(=O)O)N(C)C C[C@H](C(=O)[O])[NH](C)C 33.47024
|
7447 CC([NH3+])C(C)C([O-])=O C[C@@H](C(=O)O)[C@H](N)C C[C@@H](C(=O)[O])[C@H]([NH3])C 7.861273
|
7448 CC([NH3+])C(N)C([O-])=O C[C@H]([C@H](C(=O)O)N)N C[C@H]([C@H](C(=O)[O])N)[NH3] 16.03097
|
7449 CC([NH3+])C(O)C([O-])=O C[C@H]([C@H](C(=O)O)O)N C[C@H]([C@H](C(=O)[O])O)[NH3] 16.07161
|
7452 CC(O)C([NH3+])C([O-])=O C[C@H]([C@H](C(=O)O)N)O C[C@H]([C@H](C(=O)[O])[NH3])O 8.164963
|
7566 CC1(CC[NH2+]1)C([O-])=O C[C@]1(CCN1)C(=O)O C[C@]1(CC[NH2]1)C(=O)[O] 14.36613
|
7568 CC1(C[NH2+]C1)C([O-])=O OC(=O)C1(C)CNC1 [O]C(=O)C1(C)C[NH2]C1 12.92989
|
7573 [NH3+]C1(CCC1)C([O-])=O OC(=O)C1(N)CCC1 [O]C(=O)C1([NH3])CCC1 9.359008
|
7574 NC1(C[NH2+]C1)C([O-])=O OC(=O)C1(N)CNC1 [O]C(=O)C1(N)C[NH2]C1 17.55006
|
7575 [NH3+]C1(COC1)C([O-])=O OC(=O)C1(N)COC1 [O]C(=O)C1([NH3])COC1 7.868624
|
7576 OC1(C[NH2+]C1)C([O-])=O OC(=O)C1(O)CNC1 [O]C(=O)C1(O)C[NH2]C1 10.42477
|
7606 CC1CC1([NH3+])C([O-])=O C[C@H]1C[C@]1(N)C(=O)O C[C@H]1C[C@]1([NH3])C(=O)[O] 7.501890
|
7616 [NH3+]C1(CC1O)C([O-])=O O[C@@H]1C[C@@]1(N)C(=O)O O[C@@H]1C[C@@]1([NH3])C(=O)[O] 11.05919
|
7617 NC1(CC1[NH3+])C([O-])=O N[C@]1(C[C@H]1N)C(=O)O N[C@]1(C[C@H]1[NH3])C(=O)[O] 8.847448
|
7618 [NH3+]C1CC1(O)C([O-])=O N[C@H]1C[C@]1(O)C(=O)O [NH3][C@H]1C[C@]1(O)C(=O)[O] 41.65231
|
7629 [O-]C(=O)C1CC(=[NH2+])N1 N[C]1C[C@@H]([N]1)C(=O)O N[C]1C[C@@H](N1)C(=O)[O] 12.39567
|
7649 CC1CC([NH2+]1)C([O-])=O C[C@H]1C[C@@H](N1)C(=O)O C[C@H]1C[C@@H]([NH2]1)C(=O)[O] 6.581979
|
7858 CC1[NH2+]C1CC([O-])=O C[C@H]1N[C@H]1CC(=O)O C[C@H]1[NH2][C@H]1CC(=O)[O] 38.31183
|
7866 [NH3+]C1CC1CC([O-])=O N[C@H]1C[C@H]1CC(=O)O [NH3][C@H]1C[C@H]1CC(=O)[O] 48.10344
|
8233 [O-]C(=O)CC1CC[NH2+]1 OC(=O)C[C@H]1CCN1 [O]C(=O)C[C@H]1CC[NH2]1 8.169800
|
8234 [O-]C(=O)CC1C[NH2+]C1 NC[C@@H]1COC(=O)C1 [O]C(=O)CC1C[NH2]C1 30.53966
|
8235 [O-]C(=O)C[NH+]1CCC1 OC(=O)CN1CCC1 [O]C(=O)C[NH]1CCC1 6.990449
|
9196 [NH3+]CC(=O)[N-]CC#N NCC(=NCC#N)O [NH3]CC(=O)[N]CC#N 14.15109
|
9320 [NH3+]CC[N-]C(=O)C#N NCCN=C(C#N)O [NH3]CC[N]C(=O)C#N 19.18818
|
10144 [NH3+]CC[C-](C#N)C#N NCCC(C#N)C#N [NH3]CC[C](C#N)C#N 33.66077
|
10249 NC(=N)N(C=N)C=O N=CN(C(=N)N)C=O N=CN(C(=[NH2])[NH])C=O 35.60130
|
10250 NC(=N)N(C=O)C=O O=CN(C(=N)N)C=O O=CN(C(=[NH2])[NH])C=O 33.93911
|
10283 C[NH2+]C(C#C)C([O-])=O CN[C@H](C(=O)O)C#C C[NH2][C@H](C(=O)[O])C#C 36.40146
|
10289 COC(C#N)C(N)=N CO[C@H](C(=N)N)C#N CO[C@H](C(=[NH2])[NH])C#N 2.057960
|
10293 [NH3+]CC(C#C)C([O-])=O NC[C@H](C(=O)O)C#C [NH3]C[C@H](C(=O)[O])C#C 16.47387
|
10295 [NH3+]CC(C#N)C([O-])=O C=CC#N.O=C=O.N [NH3]C[C@H](C(=O)[O])C#N 43.11273
|
10322 CCN(C=O)C(N)=N CCN(C(=N)N)C=O CCN(C(=[NH2])[NH])C=O 8.775547
|
10340 CCC(C[NH3+])C([O-])=O CC[C@H](C(=O)O)CN CC[C@H](C(=O)[O])C[NH3] 13.89717
|
10343 CCC([NH2+]C)C([O-])=O CC[C@H](C(=O)O)NC CC[C@H](C(=O)[O])[NH2]C 13.01527
|
10348 C[NH2+]C(CO)C([O-])=O CN[C@H](C(=O)O)CO C[NH2][C@H](C(=O)[O])CO 14.32930
|
10353 [NH3+]CC(CO)C([O-])=O NC[C@H](C(=O)O)CO [NH3]C[C@H](C(=O)[O])CO 19.56058
|
10668 NC(=N)C1(CO1)C#N NC(=N)[C@]1(CO1)C#N [NH]C(=[NH2])[C@]1(CO1)C#N 5.666062
|
10712 C[NH2+]C1(CC1)C([O-])=O CNC1(CC1)C(=O)O C[NH2]C1(CC1)C(=O)[O] 16.16510
|
10718 [NH3+]CC1(CC1)C([O-])=O NCC1(CC1)C(=O)O [NH3]CC1(CC1)C(=O)[O] 13.62590
|
10719 [NH3+]CC1(CN1)C([O-])=O NC[C@]1(CN1)C(=O)O [NH3]C[C@]1(CN1)C(=O)[O] 12.79220
|
10720 [NH3+]CC1(CO1)C([O-])=O NC[C@]1(CO1)C(=O)O [NH3]C[C@]1(CO1)C(=O)[O] 14.26039
|
11346 [NH3+]CC1=CC(=O)O[CH-]1 NCC1=COC(=O)C1 [NH3]CC1=COC(=O)[CH]1 7.626499
|
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