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"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 515aded04abf81089ebecf6fc6841447bd519b2f"
author bgruening
date Wed, 01 Apr 2020 07:04:25 -0400
parents f56492688f43
children 1ade252ebe08
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CN1CCCC1c1cnccc1N      CHEMBL193763
CC(C)(CO)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12  CHEMBL3676006
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2C#CCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-].[Br-].[Br-]    CHEMBL2368590
CN1CCCC1c1ccc(Br)nc1   CHEMBL58231
CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1     CHEMBL3614072
CN1[C@H](c2cccnc2)CC[C@@H]1c1ccccc1    CHEMBL443018
O=C(N[C@@H]1CCC[C@H]1O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12  CHEMBL3676007
COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1        CHEMBL3674905
CC1(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)CC1   CHEMBL3675966
CS(=O)(=O)N1CCC(NC(=O)c2cnn3ccc(N4CCCC4c4cncc(F)c4)nc23)CC1    CHEMBL3675945
CN1CCCC1c1cccnc1       CHEMBL440464
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-]    CHEMBL420649
O=C(N[C@@H]1C2CC[C@@H](C2)[C@@H]1CO)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12  CHEMBL3676012
O=C(N[C@H]1CC[C@H](O)C1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12      CHEMBL3675979
CN1C(=O)[C@@H](C(N)=O)C[C@@H]1c1cccnc1 CHEMBL3126036
CCCCC/C=C/CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]  CHEMBL559110
C[N@@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1    CHEMBL1318824
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2[C@H](C)CN3C       CHEMBL2409141
CC1CN(C)[C@H](c2cccnc2)C1C     CHEMBL334222
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1.[Br-].[Br-].[Br-]  CHEMBL437574
c1cc2c(cn1)[C@@H]1N3CCC1(CC3)C2        CHEMBL2111859
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1Cl        CHEMBL3674784
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1  CHEMBL3674792
COc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)Nc3cc(C)n[nH]3)c2n1 CHEMBL3676102
COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1        CHEMBL3669826
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1cccnc1OCCO      CHEMBL3669819
C=CC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]    CHEMBL558518
CCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21  CHEMBL1185915
COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1  CHEMBL3669795
CN1CCCC1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)nc1     CHEMBL3674294
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-] CHEMBL3612361
CCCCc1ccc(C2CCCN2C)cn1 CHEMBL320023
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCO      CHEMBL3674760
CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-]  CHEMBL105440
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)OC(C)C)cc2)s1   CHEMBL3679770
CCC[n+]1cccc([C@@H]2CCCN2C)c1  CHEMBL1197124
CCCCC[n+]1cccc([C@@H]2CCCN2C)c1        CHEMBL3614075
Cc1ccc(-c2cc(C(=O)N3CCCC3c3cccnc3)[nH]n2)o1    CHEMBL3485246
CN1CCC[C@H]1c1ccc[n+](CCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-]    CHEMBL104461
CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3OC)nc12        CHEMBL3676024
Cc1cncc(C2CCCN2C)c1    CHEMBL364003
CC1(O)CN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)C1        CHEMBL3675967
CN1CCC[C@H]1c1ccc(Nc2ncc3cc(Br)c(=O)n(C4CCCC4)c3n2)nc1 CHEMBL3990288
CCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]    CHEMBL55606
COc1ncccc1C1C(C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1    CHEMBL3674964
CC[C@H]1C[C@@H](c2cccnc2)N(C)C1        CHEMBL115793
CCNC(=O)c1cc2c(N3CCCC3c3cccnc3)ccnc2[nH]1      CHEMBL4064004
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1   CHEMBL1183837
CCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1      CHEMBL3674943
CCCCC#CCCCCCC[n+]1cccc(C2CCCN2C)c1.[Br-]       CHEMBL599540
C#Cc1cncc([C@@H]2CCCN2C)c1     CHEMBL111659
CCCCCCCCCC[n+]1cccc2c1CC[C@]1(C)CCN(C)[C@]21C  CHEMBL1183842
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1  CHEMBL3674872
COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(C5CCCN5C)cn4)c3c2)cc(Cl)c1O      CHEMBL3674295
CC(C)NC(=O)c1cnn2ccc(N3[C@H](CO)CC[C@@H]3c3cncc(F)c3)nc12      CHEMBL3676080
O=C(c1cccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1     CHEMBL1808866
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](O)CO)c2n1      CHEMBL3676021
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-]     CHEMBL105342
O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N4CCCC4c4cccnc4)nc23)N1      CHEMBL3984229
CN1C(=O)CC[C@H]1c1ccc[n+]([O-])c1      CHEMBL3544793
Cn1cc(NC(=O)N2CCCC2c2cccnc2)ccc1=O     CHEMBL3453894
CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]       CHEMBL538685
O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12      CHEMBL3675929
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1      CHEMBL3676049
O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@H](O)C1     CHEMBL3944177
COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1     CHEMBL3679738
CCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1     CHEMBL1183372
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NC(C)C)cc2)s1   CHEMBL3679837
C=CS(=O)(=O)[C@H]1C[C@]2(C(=O)OC)CCC(=O)N2[C@H]1c1cccnc1       CHEMBL493120
C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1 CHEMBL4297627
CCO.CN1CCC[C@H]1c1cccnc1       CHEMBL3137669
CCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1       CHEMBL3971680
CN1CCC[C@H]1c1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)c(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-].[Br-].[Br-]        CHEMBL449337
CN1CCC[C@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1 CHEMBL3544704
CC(C)(CO)CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675999
COc1ccc(CN2C(=O)CCC2c2cccnc2)cc1       CHEMBL3126032
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2C#CCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1    CHEMBL2368834
CN1CCC[C@H]1c1cccnc1.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O CHEMBL151515
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CCC1     CHEMBL1808881
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2nc(Cl)cs2)c1    CHEMBL3943155
COC(=O)N1CC[C@@H]2CCc3ccncc3[C@@H]21   CHEMBL224871
CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCC(C)(C)O)c2n1     CHEMBL3676068
CC(C)(C#N)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12      CHEMBL3675944
CN1CCCC1c1cccnc1.O=S(=O)(O)O   CHEMBL2142095
CN1C(=O)[C@@H](O)C[C@@H]1c1cccnc1      CHEMBL3126033
CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12   CHEMBL3675930
O=C(N[C@@H]1CCC[C@@H]1O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676009
CCN(C)C(=O)[C@H]1C[C@@](CC(C)C)(C(=O)OC)N(C)[C@H]1c1cccnc1     CHEMBL3475081
Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1      CHEMBL3669788
CC1(NC(=O)c2cnn3ccc(N4[C@H](CO)CC[C@@H]4c4cncc(F)c4)nc23)CC1   CHEMBL3676079
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCC[C@@H]2c2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C    CHEMBL2338711
Cc1ncsc1CCC(=O)N1CCCC1c1cccnc1 CHEMBL3476252
CN1C(=O)CCC1c1cccnc1   CHEMBL664
CCN1CCCC1c1cccnc1      CHEMBL163042
C[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1 CHEMBL3676098
CN1C(=S)CC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C      CHEMBL3114536
CCCc1ccc(C2CCCN2C)cn1  CHEMBL103537
c1cncc(C2CCCN2C2c3ccccc3Oc3ccccc32)c1  CHEMBL278775
CCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-]     CHEMBL441186
COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1    CHEMBL3674772
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)N3CCCC3)cc2)s1  CHEMBL3679838
CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)O)C(=O)N1CCCC1c1cccnc1     CHEMBL158622
O=C(NC1(CO)CC1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12       CHEMBL3675981
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(O)CO)c2n1   CHEMBL3676020
COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 CHEMBL3679737
C[C@@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1        CHEMBL3676097
CN1C[C@@H](OS(C)(=O)=O)C[C@H]1c1cccnc1 CHEMBL119186
CCCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C       CHEMBL1183493
CN1CC[C@H]2CCc3c(ccc[n+]3[BH2-]C#N)[C@H]21     CHEMBL277416
CN1CCC2CCc3ccncc3C21   CHEMBL324227
CCCC/C=C/CC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]    CHEMBL562649
CN1CCCC1c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c(sc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1 CHEMBL3670116
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1     CHEMBL3669767
CCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]        CHEMBL293527
CC1(NC(=O)c2cnn3ccc(N4CCCC4c4cncc(F)c4)nc23)CCC1       CHEMBL3675976
COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1       CHEMBL3674810
C[C@H](NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C(F)(F)F        CHEMBL3676004
O=C(N[C@@H]1CCCC[C@H]1O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676010
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CN4CCC3CC4)c2n1       CHEMBL3676065
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-]  CHEMBL54826
CCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-]    CHEMBL57108
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1  CHEMBL3674791
O=C(NC1(C(F)(F)F)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12    CHEMBL3675973
CC1CCN(C)[C@@H]1c1cccnc1       CHEMBL119019
O=C(NCC(F)CCl)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12   CHEMBL3675972
CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12       CHEMBL3675988
CN1CCCC1c1ccc(C(=O)O)nc1       CHEMBL370709
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1   CHEMBL3679751
O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCCC1c1cccnc1   CHEMBL560283
CCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1     CHEMBL3676050
CN1CCC[C@H]1c1ccc(Nc2ncc3cc(Br)c(=O)n(C4CCCC4)c3n2)nc1.Cl      CHEMBL3972301
CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1       CHEMBL1194306
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2ccccc2C#CCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-]    CHEMBL238769
O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@@H]3c3cccnc3)cccc2c1  CHEMBL3682682
CN1CCCC1c1ccc(CC(O)c2ccccc2)nc1        CHEMBL363379
COc1ccncc1C1CCCN1C     CHEMBL370168
c1ccc(CN2CCCC2c2cccnc2)cc1     CHEMBL163552
COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1    CHEMBL3679824
CCCCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1  CHEMBL1197164
COCCNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C)nc12   CHEMBL3676059
CN1CCCC1c1ccc(-c2ccccc2)nc1    CHEMBL350748
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1  CHEMBL3669816
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CC(C)(O)C3)c2n1       CHEMBL3676018
O=C(NCC(F)F)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12     CHEMBL3676008
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(C)(C)C)c2n1   CHEMBL3676051
Cc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1    CHEMBL1808889
C[C@@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)C1CC1     CHEMBL3675997
COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1  CHEMBL3669785
O=C(NCCO)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12     CHEMBL3675986
CCc1cc(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)cnc4OC)nc23)[nH]n1        CHEMBL3676105
CN1CCC[C@H]1c1cccnc1.Cl        CHEMBL225057
C[C@@H]1CC[C@@H](c2cccnc2)N1C  CHEMBL118038
CN1CCCC1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc(C5CCCN5C)c4)cc3)cc2)c1.[Br-].[Br-]      CHEMBL592152
CN1CCCC1c1ccc(CCCc2ccccc2)nc1  CHEMBL361703
CNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1       CHEMBL3679832
O=C(NC1CCC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12     CHEMBL3675975
CN1C[C@@H](CC#N)C[C@H]1c1cccnc1        CHEMBL334001
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4ccc(F)cn4)c3n2)c1=O    CHEMBL3676101
CCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-]   CHEMBL52983
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCO)cc2)o1   CHEMBL3679749
COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1    CHEMBL3679826
COc1cncc(C2CCCN2C)c1   CHEMBL303530
COC1CN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)C1  CHEMBL3675971
O=C(NCC(F)(F)F)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12  CHEMBL3676005
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 CHEMBL3676053
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1     CHEMBL3669766
C[C@@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12     CHEMBL3675990
CCCC[C@H]1CC[C@@H](c2cccnc2)N1C        CHEMBL119581
C[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL432837
O=C(NC1COC1)c1cc2c(N3CCCC3c3cccnc3)ccnc2[nH]1  CHEMBL4083992
NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c(Cl)c1        CHEMBL1921841
Cc1ccc(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)cn(C)c4=O)nc23)cn1   CHEMBL3676091
CN1CCC[C@@H]1c1cccnc1.Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1     CHEMBL2448607
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1     CHEMBL3669765
CN1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1  CHEMBL1182431
CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]      CHEMBL56296
CCOc1ccc(N2C(=O)C3=NCCNC(c4ccc(Cl)cc4)=C3C2c2cccnc2)cc1        CHEMBL1325781
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1       CHEMBL3985834
CN1CCC[C@H]1c1ccc[n+](C)c1.[I-]        CHEMBL541771
CN1C(=S)CC[C@H]1c1cccnc1       CHEMBL3114543
CN1CCC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O   CHEMBL3114538
CC(C)(CF)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12  CHEMBL3675946
CCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]    CHEMBL559757
O=C(C1CCC1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1      CHEMBL1808871
CN1C[C@@H](Cc2ccccc2)C[C@H]1c1cccnc1   CHEMBL420694
COCc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1      CHEMBL3674842
CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1      CHEMBL1196877
CN1CCC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C  CHEMBL3114539
CC(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12      CHEMBL3675968
NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c2ccccc12      CHEMBL4095563
CCCc1cc(C(=O)N2CCCC2c2cccnc2)[nH]n1    CHEMBL3486295
C=CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]   CHEMBL563663
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cccc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1      CHEMBL1185135
CN1C(=O)C(C(=O)O)C[C@@H]1c1cccnc1      CHEMBL3126035
CC(=O)[C@H]1OC([n+]2cccc([C@@H]3CCC(=O)N3C)c2)[C@H](O)[C@@H](O)[C@@H]1O        CHEMBL3559662
Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)c1cncs1 CHEMBL1808899
CCN1C(=O)CCC1c1cccnc1  CHEMBL3126031
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1       CHEMBL3904952
CCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1     CHEMBL3679781
CC(C)(O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12       CHEMBL3675985
CCCC/C=C\CC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]    CHEMBL560330
CCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1       CHEMBL3674944
CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL558517
CC(NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C1CC1       CHEMBL3675987
CCCCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]    CHEMBL561389
CN1CCCC1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc(C5CCCN5C)c4)cc3)cc2)c1  CHEMBL1197966
COc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1   CHEMBL1808884
CN1C(=O)C[C@H](C(=O)O)[C@H]1c1cccnc1   CHEMBL2165407
C[C@H]1CC[C@@H](c2cccnc2)N1C   CHEMBL116645
Cc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cncs1     CHEMBL1808888
CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3C)nc12 CHEMBL3676054
O=C(c1cnccn1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1    CHEMBL1808870
Nc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CCC3)c2n1      CHEMBL3676086
CO[C@H]1C[C@@H](c2cccnc2)N(C)C1        CHEMBL326597
O=C1CC[C@@H](c2cccnc2)N1CO     CHEMBL3544621
c1cncc(C2C3CCN2CC3)c1  CHEMBL130814
CCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C   CHEMBL1183508
CN1C(=[Se])CC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C  CHEMBL3114540
CN1CCC[C@]12CCc1ccncc12        CHEMBL2112670
Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)c1cnccn1        CHEMBL1808898
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)nc2)n2c1COCC2)c1ccccc1   CHEMBL4115509
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1        CHEMBL3676025
Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)C1CCC1  CHEMBL1808900
C[N+]1(CC[N+]2(C)CCCC2c2cccnc2)CCCC1c1cccnc1   CHEMBL1978965
O=C(NC1CCC(O)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12        CHEMBL3902802
CC(C)(CF)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12     CHEMBL3675956
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CCS(=O)(=O)C1    CHEMBL1808882
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1      CHEMBL1179025
CN1[C@H](C#N)CC[C@H]1c1cccnc1  CHEMBL81899
CN1CCCC1c1ccc(/C=C/c2ccccc2)nc1        CHEMBL190678
O=C(c1cncs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1     CHEMBL1808868
CN1C[C@@H](CO)C[C@H]1c1cccnc1  CHEMBL118849
CN1CCCC1c1ccc(O)nc1    CHEMBL72010
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCC(=O)O  CHEMBL3669834
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OC(C)C)cc2)o1 CHEMBL3679745
COCC(O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12        CHEMBL3675993
CN1CCC[C@@H]1c1cccnc1  CHEMBL9732
CN1CCCC1c1ccc(Cl)nc1   CHEMBL70050
CSC[C@H]1C[C@@H](c2cccnc2)N(C)C1       CHEMBL119144
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCO)c2n1      CHEMBL3676019
CN1CCCC1c1cncc(F)c1    CHEMBL62128
CC(=O)N1CCCC1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 CHEMBL3900434
COC(=O)N1CC[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3)c3cc(Cl)nc(Cl)c3[C@@H]21   CHEMBL224667
CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCO   CHEMBL3669808
COC(=O)COCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1     CHEMBL3669821
CN1C(=O)CC[C@@]1(O)c1cccnc1    CHEMBL3544599
CC(C)(C)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12      CHEMBL3675955
Cc1cc(-c2cc(F)cc(Cl)c2)ncc1C1CCCN1C(=O)c1cnccn1        CHEMBL1808893
O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@H](O)C1      CHEMBL3676002
O=C(NC1CC1)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12 CHEMBL3675954
O=C(N[C@H]1CCC[C@@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12       CHEMBL3675977
O=C(N[C@H]1CCC[C@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12        CHEMBL3675978
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cccc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1.[Br-].[Br-]  CHEMBL391220
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1        CHEMBL1185546
C=CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1    CHEMBL1197169
CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)c(O)c1)c(C#N)c2N1CCOCC1       CHEMBL3589378
O=C(c1cc2c([nH]c1=O)CCC2)N1CCCC1c1cccnc1       CHEMBL3458802
O=C(Nc1ccccc1F)N1CCCC1c1cccnc1 CHEMBL1870182
COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1   CHEMBL3679786
CN1CCC[C@H]1c1ccc[n+](CCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1      CHEMBL1179917
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(CCO)CC3)c2n1     CHEMBL3676030
C=CC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1196878
CCCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21 CHEMBL1179033
CN1C[C@@H](O)C[C@H]1c1cccnc1   CHEMBL117339
CCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21   CHEMBL1185930
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NOCCOC(C)(C)C)c2n1      CHEMBL3676023
NCCCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12  CHEMBL3676016
COCc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1       CHEMBL3669833
CCN1C(=S)N2CCCC2c2c1nc(-c1cccc(O)c1)c(C#N)c2N1CCOCC1   CHEMBL3589375
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCCO     CHEMBL3679825
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1        CHEMBL3676056
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCO      CHEMBL3669817
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ncccc4C4CCCN4C)ccc3OCC)nc12   CHEMBL2047881
CC(NC(=O)c1cnn2ccc(N3C(c4cncc(F)c4)CCC3(C)CO)nc12)C(F)(F)F     CHEMBL3676085
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1  CHEMBL1179963
CNC(=O)COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669837
COc1ccc(C2CCCN2C)cn1   CHEMBL292114
Cc1cc(C)nc(N2CCCC2c2cccnc2)n1  CHEMBL3436596
CN1CCC[C@H]1c1cccnc1   CHEMBL3
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1N1CCOCC1  CHEMBL3679789
CN1[C@H](c2ccccc2)CC[C@H]1c1cccnc1     CHEMBL116998
CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12      CHEMBL3676069
CN1CCC[C@H]1c1ccc[n+](Cc2ccccc2)c1     CHEMBL1197228
COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1    CHEMBL3674853
CC(=O)O[C@H]1C[C@@H](c2cccnc2)N(C)C1   CHEMBL419230
Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1      CHEMBL3669787
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(C)(C)O)c2n1 CHEMBL3676029
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1    CHEMBL1185865
COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1        CHEMBL3669796
CCCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-]    CHEMBL55211
CN1CC[C@@H]2CCc3ccncc3[C@@H]21 CHEMBL417278
COC(=O)N1CC[C@@H]2CCc3ccnc(Cl)c3[C@@H]21       CHEMBL374612
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1       CHEMBL3676026
O=CN1CCC[C@H]1c1cccnc1 CHEMBL3126024
CC(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12 CHEMBL3676089
C=CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197241
CN1CCC[C@@]12CCc1ccncc12       CHEMBL2111861
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccncc1   CHEMBL1808880
NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12      CHEMBL3675957
CN1CC[C@H]2CCc3ncccc3[C@H]21   CHEMBL281410
Cc1cc(-c2cc(F)cc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1 CHEMBL1808892
Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)C1CCC1  CHEMBL1808897
CCCC/C=C\CC[n+]1cccc([C@@H]2CCCN2C)c1  CHEMBL1197132
COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1     CHEMBL3674838
CN1CCCC1c1ccc(F)nc1    CHEMBL72470
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1     CHEMBL3926444
CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-]       CHEMBL3612359
NC(=O)c1ccc(Oc2ccc(CN3CCC[C@@H]3c3cccnc3)cc2)c(Cl)c1   CHEMBL1921843
Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1nccs1        CHEMBL1808901
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2ccccc2C#CCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1        CHEMBL1182432
COCC(C)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675992
NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1    CHEMBL1921840
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3(CO)CC3)c2n1      CHEMBL3676061
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1     CHEMBL3674761
CCCCC/C=C/CCC[n+]1cccc([C@@H]2CCCN2C)c1        CHEMBL1197030
CN1CCC[C@H]1c1cccnc1.CN1CCC[C@H]1c1cccnc1.O=S(=O)(O)O  CHEMBL3182465
CCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C        CHEMBL1178992
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)N[C@@H]4CCCC[C@H]4O)c3n2)c1=O     CHEMBL3676096
c1cc2c(cn1)[C@H]1N3CCC1(CC3)C2 CHEMBL2112676
CCCCCOc1ccc(C[C@H](NC(=O)C2CC(=O)N(C)C2c2cccnc2)C(=O)O)cc1     CHEMBL352062
CN1CCC[C@H]1c1ccc[n+](Cc2ccccc2)c1.[Br-]       CHEMBL563268
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NCC4CC4)c3n2)c1=O CHEMBL3676094
CN1CCC[C@H]1c1ccc[n+]([BH2-]C#N)c1     CHEMBL282473
CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]  CHEMBL550723
O=C(C(Nc1ccccc1F)c1cc2ccccc2s1)N1CCCC1c1cccnc1 CHEMBL2348659
c1cc2c(cn1)[C@@H]1CCCN1CC2     CHEMBL3578316
CCNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1      CHEMBL3679793
CN1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-]      CHEMBL238768
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)nc1     CHEMBL3669770
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccnc2)s1   CHEMBL1779603
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(N)=O)cc2)s1        CHEMBL3679831
CN1CCCC1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)nc1    CHEMBL3674296
CCCC[C@@H]1CC[C@@H](c2cccnc2)N1C       CHEMBL119574
COc1ccc(CCc2ccc(C3CCCN3C)cn2)cc1       CHEMBL190652
CN1CCCC1c1cncc(C2CCCN2C)c1     CHEMBL3593860
O=C(NC1CCOCC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12   CHEMBL3675947
O=C(C(Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCCC1c1cccnc1    CHEMBL2348671
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1       CHEMBL3676058
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)o1  CHEMBL3679744
CCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C  CHEMBL1178973
CCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21     CHEMBL1185506
CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCO   CHEMBL3669809
CCN1C(=S)N2CCCC2c2c1nc(-c1cccc(OC)c1)c(C#N)c2N1CCOCC1  CHEMBL3589376
CN1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2)c1.[Br-].[Br-]      CHEMBL238117
CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1    CHEMBL3676067
CN1[C@H](c2cccnc2)CC[C@@H]1C#N CHEMBL84210
COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1    CHEMBL3674886
O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCC1     CHEMBL3675969
O=C(NOCCO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3Cl)nc12     CHEMBL3676087
C=CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]      CHEMBL561470
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@H](O)CO)c2n1       CHEMBL3676017
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@@H]3CCC[C@H]3O)c2n1      CHEMBL3676064
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1   CHEMBL3669735
CN1C[C@H](C#N)C[C@H]1c1cccnc1  CHEMBL119352
CN1C(=O)[C@H](O)C[C@H]1c1cccnc1        CHEMBL1614639
c1cc2c(cn1)C1N3CCCC1(CC3)C2    CHEMBL335828
CCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]  CHEMBL3612356
CN1CCCC1c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c(sc6c5CCCC6)C4=O)c3CO)cn(C)c2=O)nc1      CHEMBL3670117
CN1CCC[C@H]1c1ccc[n+](C)c1     CHEMBL1190855
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccncn1   CHEMBL1808876
CCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21    CHEMBL1179016
C#Cc1cncc([C@H]2CCCN2C)c1      CHEMBL1788226
c1cc2c(cn1)C1CCCN1CC2  CHEMBL3578314
Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1      CHEMBL3669789
O=C1CC[C@]2(c3cccnc3)O[C@@H](COc3ccc(Cl)cc3)CN12       CHEMBL442410
CN1C(=O)CC[C@@H]1c1cccnc1      CHEMBL365343
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4(C)CC4)c3n2)c1=O       CHEMBL3676099
COCCOc1ncccc1C1C(C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674965
CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)C1c1cccnc1OCCO   CHEMBL3669814
C[C@H](O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12      CHEMBL3675983
COc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CCC1    CHEMBL1808885
Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)cs1  CHEMBL3679829
CN1CCC[C@H]1c1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1.[Br-].[Br-].[Br-]     CHEMBL241119
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)C1c1cccnc1OCCO      CHEMBL3674756
Cc1ncc(C2CCCN2C)c2c1[nH]c1ccccc12      CHEMBL500286
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1    CHEMBL1808872
CCCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-]  CHEMBL300598
CONC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12    CHEMBL3675958
COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1     CHEMBL3674850
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(C)C)c2n1      CHEMBL3676052
CN1C(=O)CCC1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1  CHEMBL3925012
CN1C(=O)[C@H](O)C[C@@H]1c1cccnc1       CHEMBL3126034
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](C)O)c2n1        CHEMBL3676057
O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC(CO)C1  CHEMBL3676001
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC1c1cccnc1       CHEMBL2336227
Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1 CHEMBL1808891
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NCC#N)cc2)s1    CHEMBL3679836
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-]   CHEMBL3612360
CONC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675948
c1cncc(C2CCCN2c2ccnc3[nH]ncc23)c1      CHEMBL4066892
CN1CCCC1c1ccc(CCc2ccccc2)nc1   CHEMBL190295
COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1  CHEMBL3669807
CC(C)[C@@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675995
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1    CHEMBL1808873
CN1CCC[C@H]1c1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1       CHEMBL1182507
NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1    CHEMBL1921842
CN1C(=[Se])CC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C   CHEMBL3114535
CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-]        CHEMBL3612358
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1       CHEMBL3676055
CN1CCC(CO)[C@H]1c1cccnc1       CHEMBL325426
Cc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cnccn3)cn2)ccn1  CHEMBL1808895
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-] CHEMBL320514
O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@H]3c3cccnc3)cccc2c1   CHEMBL3692144
CN1CCC[C@H]1c1cccnc1.O.O.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O     CHEMBL3989563
O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCC1      CHEMBL3676000
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1     CHEMBL3676063
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@H]3CCCN3C)c2)c1 CHEMBL1194341
Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)c1cnccn1        CHEMBL1806522
CN1C(=O)CC[C@@H]1c1ccc[n+]([O-])c1     CHEMBL3126028
CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL3612357
COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1   CHEMBL3679783
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCCO     CHEMBL3679823
CCCCC#CCCCCCC[n+]1cccc(C2CCCN2C)c1     CHEMBL1198250
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)s1  CHEMBL3679827
CN1CCC[C@@H]1c1ccc(Nc2cc(-c3cc(F)cc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1    CHEMBL3670119
COc1ccc(C(C)(C)C)cc1CN[C@@H]1[C@H](c2cccnc2N(C)C)N(C(=O)C2CCCCC2)[C@H](C(=O)O)[C@H]1C(C)(C)C   CHEMBL4176858
C=CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]    CHEMBL561670
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccccn1   CHEMBL1808878
Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cncs1  CHEMBL1808890
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(CO)CO)c2n1   CHEMBL3676031
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ccccc2)c1       CHEMBL3897027
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CC(=O)N(C)C1     CHEMBL1808883
CCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-]        CHEMBL417925
NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12        CHEMBL3675991
O=C(C1CCC1)N1CCCC1c1cnc(-c2cccc(Cl)c2)cc1O     CHEMBL1808886
CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)cc1)c(C#N)c2N1CCOCC1  CHEMBL3589377
O=C(NCC1CC1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12  CHEMBL3675980
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C)n3)c2n1        CHEMBL3676103
CN1C(=O)CC[C@H]1c1ccc[n+](C)c1 CHEMBL3544791
C[N+]1([O-])CCC[C@H]1c1cccnc1  CHEMBL3544718
CCCCCCCCCC[n+]1cccc2c1CC[C@]1(C)CCN(C)[C@]21C.[I-]     CHEMBL320633
CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1    CHEMBL1179945
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cccnc1   CHEMBL1808879
CN1C(=[Se])CC[C@H]1c1cccnc1    CHEMBL3114542
CN1CCC(CF)[C@H]1c1cccnc1       CHEMBL119016
CN1CCC[C@H]1c1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)c(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1        CHEMBL1186094
COc1ncc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12       CHEMBL3657533
CN1C(=S)CC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C     CHEMBL3114537
CN1CCC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C CHEMBL3114541
CCOC(=O)c1c(C)nc2c(C3CCCN3C)cccn12     CHEMBL2147747
O=C(c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)N1CC(O)C1        CHEMBL3675982
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC(C)(C)C)c3n2)c1=O       CHEMBL3676088
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@H](C)O)c2n1        CHEMBL3676027
O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCCC1    CHEMBL3676011
CCc1cncc(C2CCCN2C)c1   CHEMBL111526
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1     CHEMBL3669764
CCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-]      CHEMBL301648
CN1CCCC1c1ccc(CCc2ccc(Cl)cc2)nc1       CHEMBL189470
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1     CHEMBL3639736
COCC1CCN(C)[C@@H]1c1cccnc1     CHEMBL119020
Cc1cc(N2CCCC2c2cccnc2)nc(C)n1  CHEMBL3454373
COCCNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1    CHEMBL3679839
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1    CHEMBL3955007
CN1CCCC1c1ccc(N)nc1    CHEMBL70774
CN1C2CCc3ccncc3C1CC2   CHEMBL423579
CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.I.[I-]    CHEMBL1322435
Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCO)cc2)no1   CHEMBL3669818
Cc1ccc(Nc2ncc(C3CCCN3C(=O)c3nccs3)cc2Cl)cn1    CHEMBL3600431
C[C@@H](NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C(F)(F)F       CHEMBL3676003
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-]        CHEMBL106542
O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@@H](O)C1    CHEMBL4108902
COC(=O)N1CC[C@@H]2C[C@@H](Sc3ccccc3)c3cc(Cl)nc(Cl)c3[C@@H]21   CHEMBL225181
CCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C CHEMBL1179053
CSc1ccc(N2C(=O)C(=O)C(C(=O)C(C)(C)C)C2c2cccnc2OCCO)cc1 CHEMBL3669813
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CC4)c3n2)c1=O  CHEMBL3676090
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NCCN(C)C)cc2)s1 CHEMBL3679841
CN1CCCC1c1cccnc1Cl     CHEMBL71112
COC[C@H]1C[C@@H](c2cccnc2)N(C)C1       CHEMBL119227
CCCCCc1ccc(C2CCCN2C)cn1        CHEMBL103566
COCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1    CHEMBL3669806
Cc1ccc(C2CCCN2C)cn1    CHEMBL294757
C#Cc1cncc(C2CCCN2C)c1  CHEMBL111580
CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1   CHEMBL1179042
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCC(N)=O  CHEMBL3669838
CCc1ccc(C2CCCN2C)cn1   CHEMBL103225
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1179942
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1     CHEMBL3986272
CN1CCCC1c1cncc(Cl)c1   CHEMBL61013
Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)c1nccs1 CHEMBL1808896
CC(C)(O)Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1    CHEMBL1808887
CN1CCC[C@@H]1c1cccnc1.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O        CHEMBL2062338
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1     CHEMBL3958622
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1       CHEMBL3614077
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)nc1     CHEMBL3669759
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)N(C)C)cc2)s1    CHEMBL3679833
COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 CHEMBL3674875
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N3CC(O)C3)c2n1       CHEMBL3676060
COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1        CHEMBL3679787
CCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1179038
CN1C(=O)[C@H](OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]1c1cccnc1        CHEMBL3544598
COCCOCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669811
CN1CC[C@@H]2CCc3cc[n+]([BH2-]C#N)cc3[C@@H]21   CHEMBL21553
O=C(NC1CCC[C@@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12   CHEMBL3675994
CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)c(OC)c1)c(C#N)c2N1CCOCC1      CHEMBL3589379
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncnc1   CHEMBL1808877
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(C4CC4)n[nH]3)c2n1 CHEMBL3676104
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C(C)C)n3)c2n1    CHEMBL3676106
Cn1cccc1-c1cc(C(=O)N2CCCC2c2cccnc2)[nH]n1      CHEMBL3486928
CCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]     CHEMBL560190
CN1CCCC1c1cnc2cc3ccncc3cc2c1   CHEMBL61883
CN1CCCC1c1cncc(Br)c1   CHEMBL61772
COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 CHEMBL3679830
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NN(C)C)cc2)s1   CHEMBL3679835
Cc1cncc([C@@H]2CCC[N+]2(C)[O-])c1      CHEMBL3640778
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](C)O)c2n1       CHEMBL3676028
CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1      CHEMBL3614081
CN1C(=O)CC[C@H]1c1cccnc1.CN1C(=O)CC[C@H]1c1cccnc1.O=C(O)/C=C/C(=O)O    CHEMBL3989573
COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679828
CN/C(=C1\C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccc[nH]c1=O)C(C)C  CHEMBL3674777
CCN(C)C(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1   CHEMBL3679834
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CCC(O)CC4)c3n2)c1=O    CHEMBL3937419
O=C1CC[C@]2(c3cccnc3)O[C@H](COc3ccc(Cl)cc3)CN12        CHEMBL343159
CCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]      CHEMBL559109
CCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-]     CHEMBL52088
CN1CCC[C@H]1c1ccc[n+]([O-])c1  CHEMBL3126025
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)N[C@H](CO)C(C)(C)C)c3n2)c1=O      CHEMBL3676095
C[N@@+]1(CC[N@@+]2(C)CCC[C@H]2c2cccnc2)CCC[C@@H]1c1cccnc1      CHEMBL1358826
Cc1cc(N(C)C)nc(N2CCCC2c2cccnc2)n1      CHEMBL3454403
c1cc2c(cn1)[C@H]1CCCN1CC2      CHEMBL3578315
CCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-]       CHEMBL54225
O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1CC(=O)N1CCCC1c1cccnc1     CHEMBL1923459
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccc(=O)[nH]c3)c2n1   CHEMBL3676032
O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1     CHEMBL4100810
Cc1ncccc1C1CCCN1C      CHEMBL160034
CN1CCCC1c1cnc2ccccc2c1 CHEMBL161944
C[C@@H](O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12     CHEMBL3675984
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@H]3CCCN3C)c2)c1.[Br-].[Br-]     CHEMBL551930
CCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-]      CHEMBL441977
CCCc1cncc(C2CCCN2C)c1  CHEMBL382287
CC1=C(C(=O)N2CCCC2c2cccnc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1        CHEMBL601248
CC(NC(=O)c1cnn2ccc(N3C(CO)CCC3c3cncc(F)c3)nc12)C(F)(F)F        CHEMBL3676078
CN1C(=O)C[C@H](C(=O)O)[C@@H]1c1cccnc1  CHEMBL1715972
C#Cc1cncc([C@@H]2CCCN2C)c1.O=C(O)/C=C/C(=O)O   CHEMBL2146093
COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1       CHEMBL3674856
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cnccn1   CHEMBL1808875
COC(=O)N1CC[C@@H]2C=Cc3cc(Cl)nc(Cl)c3[C@@H]21  CHEMBL374956
COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1  CHEMBL3669786
OC(COc1ccccc1-c1nc2ccccc2o1)CN1CCCC1c1cccnc1   CHEMBL608832
O=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1cccnc1  CHEMBL1353542
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCNC(=O)OC(C)(C)C)c2n1        CHEMBL3676015
COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1  CHEMBL3679811
COCCOc1ncccc1[C@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674936
COCCN(C)C(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679840
CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)C1c1cccnc1OCCO   CHEMBL3669815
CN1CCC[C@H]1c1cccnc1.O=C(O)C(O)C(O)C(=O)O      CHEMBL1448280
CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1    CHEMBL1189396
Cc1ccc2nc(CN3CCCC3c3cccnc3)cc(O)c2c1   CHEMBL3485916
CN1C(=O)CC[C@H]1c1cccnc1       CHEMBL578211
CN1C[C@@H](CF)C[C@H]1c1cccnc1  CHEMBL116706
Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3N3CCOCC3)cc2)no1       CHEMBL3679788
CCCC/C=C/CC[n+]1cccc([C@@H]2CCCN2C)c1  CHEMBL1197208
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CC(O)C3)c2n1  CHEMBL3676013
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4cccnc4)c3n2)c1=O       CHEMBL3676093
Cc1cc(C(=O)N2CCCC2c2cnc(-c3cccc(Cl)c3)cc2C)no1 CHEMBL1808874
CN1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2)c1  CHEMBL1182422
Cc1cc(C(=O)N2CCCC2c2ccc(-c3cccc(Cl)c3)nc2)no1  CHEMBL1808869
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CCC4)c3n2)c1=O CHEMBL3676092
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 CHEMBL3614076
CCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1    CHEMBL1197029
CN1C[C@H](CO)C[C@H]1c1cccnc1   CHEMBL434607
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2n1      CHEMBL3676033
O=S(=O)(Nc1ncns1)c1ccc2c(N3CCCC3c3cccnc3)cccc2c1       CHEMBL3682681
CN1CCC[C@@]1(O)c1cccnc1        CHEMBL3544720
O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCCC1c1cccnc1   CHEMBL3474057
C[C@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12      CHEMBL3675989
Cc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cncs3)cn2)ccn1   CHEMBL1808894
COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12  CHEMBL3657536
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1     CHEMBL3669812
CC(C)NC(=O)c1cnn2ccc(N3[C@@H](c4cncc(F)c4)CC[C@@]3(C)CO)nc12   CHEMBL3676084
COc1ccc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12       CHEMBL3657535
C[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)C1CC1      CHEMBL3675998
C=CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1  CHEMBL1197178
COCCNC(=O)[C@H]1C[C@@](CC(C)C)(C(=O)O)N(C)[C@H]1c1cccnc1       CHEMBL3475838
CCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197114
CC(C)[C@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12  CHEMBL3675996
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCCO)c2n1     CHEMBL3676022
O=C(Nc1ccc(F)cn1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12        CHEMBL3675970
O=C(c1nccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1     CHEMBL1808867
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CC(C)(C)C[C@@H]2c2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C      CHEMBL2338710