[3b722e]: / tests / data / dude / xiap / actives_rdkit.smi

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C[C@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2c1cccc2)Oc1ccccc1)C(C)(C)C)[NH2+]C	CHEMBL365298
C[C@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@H]1CCCc2c1cccc2)Oc1ccccc1)C(C)(C)C)[NH2+]C	CHEMBL365298
C[C@@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2c1cccc2)Oc1ccccc1)C(C)(C)C)[NH2+]C	CHEMBL365298
C[C@@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@H]1CCCc2c1cccc2)Oc1ccccc1)C(C)(C)C)[NH2+]C	CHEMBL365298
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])[NH3+]	CHEMBL186755
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])[NH3+]	CHEMBL186755
C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1c2ccccc2c2c1cccc2)C(C)(C)C)[NH2+]C	CHEMBL360180
c1ccc(cc1)CCC1=C(C(=O)C=C(C1=O)[O-])O	CHEMBL221647
c1ccc(cc1)CCC1=C(C(=O)C=C(C1=O)O)[O-]	CHEMBL221647
CCCCc1cccc(c1)CCC1=C(C(=O)C=C(C1=O)[O-])O	CHEMBL375784
CCCCc1cccc(c1)CCC1=C(C(=O)C=C(C1=O)O)[O-]	CHEMBL375784
CC[C@@H](C(=O)N[C@@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)[NH3+]	CHEMBL535596
CC[C@@H](C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)[NH3+]	CHEMBL535596
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](c1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])[NH3+]	CHEMBL360607
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CNC(=S)N)[NH3+]	CHEMBL583950
CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])[NH3+]	CHEMBL183992
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1)[NH3+]	CHEMBL181003
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccco1)[NH3+]	CHEMBL182034
C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2)C(C)(C)C)[NH2+]C	CHEMBL361282
CC[C@@H](C(=O)N[C@H]1CC[C@H]2CC[C@H]([N@@H+]2C1)C(=O)NC(c1ccccc1)c1ccccc1)[NH3+]	CHEMBL472254
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCC[C@@H]2[C@@H]1C=CC=C2)[NH2+]C	CHEMBL485721
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCC[C@@H]2[C@H]1C=CC=C2)[NH2+]C	CHEMBL485721
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCC[C@H]2[C@@H]1C=CC=C2)[NH2+]C	CHEMBL485721
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCC[C@H]2[C@H]1C=CC=C2)[NH2+]C	CHEMBL485721
CC[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1ccccc1)c1ccc2ccccc2c1)[NH3+]	CHEMBL520870
CC[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c1ccccc1)c1ccc2ccccc2c1)[NH3+]	CHEMBL488796
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCC[C@@H]2[C@@H]1C=CC=C2)[NH2+]C	CHEMBL487973
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCC[C@@H]2[C@H]1C=CC=C2)[NH2+]C	CHEMBL487973
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCC[C@H]2[C@@H]1C=CC=C2)[NH2+]C	CHEMBL487973
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCC[C@H]2[C@H]1C=CC=C2)[NH2+]C	CHEMBL487973
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCc2c1cccc2)[NH2+]C	CHEMBL519256
Cc1cccc(c1)CCc1cccc(c1)CCC1=C(C(=O)C=C(C1=O)[O-])O	CHEMBL221313
Cc1cccc(c1)CCc1cccc(c1)CCC1=C(C(=O)C=C(C1=O)O)[O-]	CHEMBL221313
CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)[C@H](C)[NH3+])C(C)C	CHEMBL373766
CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)[C@H](C)N)C(C)C	CHEMBL373766
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CC#N)[NH3+]	CHEMBL572850
c1ccc(cc1)CCc1cccc(c1)CCC1=C(C(=O)C=C(C1=O)[O-])O	CHEMBL221256
c1ccc(cc1)CCc1cccc(c1)CCC1=C(C(=O)C=C(C1=O)O)[O-]	CHEMBL221256
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])[NH3+]	CHEMBL186839
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CCO)[NH3+]	CHEMBL575597
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CN=[N+]=[N-])[NH3+]	CHEMBL578239
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2[C@H](C[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2c1cccc2)Cc1ccccc1)[NH2+]C	CHEMBL475670
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])[NH3+]	CHEMBL189145
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C[NH+](CC)CC)[NH3+]	CHEMBL572851
C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C)[NH2+]C	CHEMBL189071
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)[NH3+]	CHEMBL487964
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CC[NH3+])[NH3+]	CHEMBL574027
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCc2c1cccc2)[NH2+]C	CHEMBL481421
CC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)[NH3+]	CHEMBL181479
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CNC(=O)C[NH3+])[NH3+]	CHEMBL574477
C[C@@H](C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1)[NH3+]	CHEMBL510669
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CC[NH3+])[NH2+]C	CHEMBL574704
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)[O-])[NH3+]	CHEMBL189202
C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)N(C)c1ccc(cc1)F)C(C)(C)C)[NH2+]C	CHEMBL517556
C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c1csc2c1cccc2)C(C)(C)C)[NH2+]C	CHEMBL459803
C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)N(C)c1ccccc1)C(C)(C)C)[NH2+]C	CHEMBL459597
C[C@@H](C(=O)N[C@H]1CC=CC[C@H]2[C@H](C[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2c1cccc2)Cc1ccccc1)[NH2+]C	CHEMBL472832
C[C@@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)[NH2+]C	CHEMBL515347
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CO)[NH3+]	CHEMBL573550
CC[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)[NH3+]	CHEMBL487149
CC[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCCC1	CHEMBL519053
CC[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)[NH2+]C	CHEMBL487353
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CNC(=O)C)[NH3+]	CHEMBL577824
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CNC(=O)c1ccccc1)[NH3+]	CHEMBL584393
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1)[NH3+]	CHEMBL471827
C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c1ccccc1)C(C)(C)C)[NH2+]C	CHEMBL456418
C[C@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2c1cccc2)Oc1ccccc1)[NH2+]C	CHEMBL188510
C[C@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@H]1CCCc2c1cccc2)Oc1ccccc1)[NH2+]C	CHEMBL188510
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2c1cccc2)Oc1ccccc1)[NH2+]C	CHEMBL188510
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@H]1CCCc2c1cccc2)Oc1ccccc1)[NH2+]C	CHEMBL188510
C[C@@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2c1cccc2)[NH2+]C	CHEMBL516172
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])[NH3+]	CHEMBL188350
CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C)[NH3+]	CHEMBL365059
C[C@@H](C(=O)N[C@H]1CC[C@@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1)[NH3+]	CHEMBL534477
C[C@@H](C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1)[NH3+]	CHEMBL534477
C[C@@H](C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])[NH3+]	CHEMBL188934
C[C@@H](C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])N	CHEMBL188934
C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])[NH3+]	CHEMBL188934
C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])N	CHEMBL188934
CC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)[NH3+]	CHEMBL361542
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1)[NH3+]	CHEMBL369736
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)COC(=O)C)[NH3+]	CHEMBL572609
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)[NH2+]C	CHEMBL481422
CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C)[NH3+]	CHEMBL363770
C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2c1cccc2)C(C)(C)C)[NH2+]C	CHEMBL188062
C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2c1cccc2)C(C)(C)C)[NH2+]C	CHEMBL188062
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CNC(=S)NCC)[NH3+]	CHEMBL575154
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CNC(=O)NCC)[NH3+]	CHEMBL584397
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)[NH3+]	CHEMBL180204
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CC[NH2+]CC)[NH2+]C	CHEMBL573788
CC[C@@H](C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)N(c1ccccc1)c1ccccc1)[NH2+]C	CHEMBL514738
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CNS(=O)(=O)C)[NH3+]	CHEMBL573787
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C[NH2+]Cc1ccccc1)[NH3+]	CHEMBL584394
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C[N@H+](C)Cc1ccccc1)[NH3+]	CHEMBL584395
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CO)[NH2+]C	CHEMBL573309
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C[NH2+]CC)[NH3+]	CHEMBL578000
C[C@@H](C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)[NH3+]	CHEMBL486772
C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c1coc2c1cccc2)C(C)(C)C)[NH2+]C	CHEMBL517406
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CNC(=O)N)[NH3+]	CHEMBL578241
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[NH3+]	CHEMBL234345
CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C)[NH3+]	CHEMBL234346
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C[NH3+])[NH3+]	CHEMBL575807
C[C@@H](C(=O)Nc1nc(c(s1)c1ccccc1)c1ccc(cc1)Br)[NH3+]	CHEMBL181872
C[C@@H](C(=O)Nc1nc(c(s1)c1ccccc1)c1ccc(cc1)Br)N	CHEMBL181872
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CCO)[NH2+]C	CHEMBL575805
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CC[NH2+]CC)[NH3+]	CHEMBL578038
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CNC(=[NH2+])N)[NH3+]	CHEMBL575594
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)[NH3+]	CHEMBL426052
C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c1ccc(c2c1cccc2)F)C(C)(C)C)[NH2+]C	CHEMBL458540
C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c1c2ccccc2ccc1OC)C(C)(C)C)[NH2+]C	CHEMBL458742
Cc1ccc(c2c1cccc2)C(=O)N[C@H]1CC[C@H]2[C@@H]1N(CC2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)[NH2+]C	CHEMBL514911
C[C@@H](C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])[NH3+]	CHEMBL186911
C[C@@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)[NH2+]C	CHEMBL515848
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)CC[NH2+]Cc1ccccc1)[NH3+]	CHEMBL575370
CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)[O-])O	CHEMBL221137
CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)[O-]	CHEMBL221137
CCCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C)[NH3+]	CHEMBL186819
CC[C@@H](C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)[NH3+]	CHEMBL375349
CC[C@@H](C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)[NH2+]C	CHEMBL218832
CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[O-])[NH2+]C	CHEMBL184046
CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C[NH3+])[NH2+]C	CHEMBL573548
C[C@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2c1cccc2)[NH2+]C	CHEMBL363529
C[C@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2c1cccc2)[NH2+]C	CHEMBL363529
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2c1cccc2)[NH2+]C	CHEMBL363529
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2c1cccc2)[NH2+]C	CHEMBL363529
C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c1ccc2c(c1)cco2)C(C)(C)C)[NH2+]C	CHEMBL462102
C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c1cccc2c1cccc2)C(C)(C)C)[NH2+]C	CHEMBL511444
C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)C)[NH2+]C	CHEMBL479725
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2c1cccc2)[NH2+]C	CHEMBL481213