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MolPILE

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814
55138684
CC(C)(C)S(=O)CC(O)=Nc1ccc(C(F)(F)F)cc1N
117151200
CCN1CC(c2cc(=O)n3[nH]cc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3n2)CC1=O
164936327
Cc1ccc(/C=N\Nc2nc(SCC(O)=NCc3ccc(C(F)(F)F)cc3)n[nH]2)o1
150558076
Cn1c(SCCCN2C[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)nnc1[C@H]1COCCO1
127555486
FC(F)(F)c1ccc(CN2CCC(NCc3cnc4ccccn34)C2)cc1
22800491
CC1CCCCC1N=C(O)Cc1ccc(C(F)(F)F)cc1
51819339
COc1ccc(-n2nc(C(=O)O)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1
22216871
OC(CCn1ccnc1)=N[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1
87347550
CC1(CN=c2ccc(C(F)(F)F)n[nH]2)CCCS1
112657402
CC1(C)CC1CN=c1cc(C(=N)O)c(N)c[nH]1
46863758
OC(Cc1csc(-c2cccs2)n1)=Nc1cc(C(F)(F)F)ccc1N1CCCC1
60835045
Nc1ccc(-c2nc(=O)c3c([nH]2)CCN(Cc2csc(-c4ccc(C(F)(F)F)cc4)n2)C3)cc1
MCULE-7628406390
COc1ccc(CCN=c2ccc(N=C(O)N(C)C)c[nH]2)cc1
95862026
O=C(CCc1ccc(C(F)(F)F)cc1)N1CCCN(c2nc3ccccc3[nH]2)CC1
53067182
O=C(NCCN=C(O)C1CC1c1ccccc1Cl)c1ccc(C(F)(F)F)cc1
12740960
C[C@@H](N=C(O)Nc1ccccn1)c1ccc(C(F)(F)F)cc1
149723094
O=C1OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2(CC2)N1Cc1nc(C(F)(F)F)ccc1Cl
113087342
Clc1cc(=NCc2ccc(-c3cc[nH]n3)cc2)[nH]cn1
70656347
CC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccc(C(F)(F)F)cc1)C2
58980654
COc1cc(CN=c2ccc(Cl)n[nH]2)ccn1
MCULE-4951233741
OC(CN1CCOCC1)=NCc1cncc(-c2ccc(C(F)(F)F)nc2)c1
53900436
CC1(C)CC(=O)C(C(S)=Nc2ccccc2)C(=NCc2ccc(Cl)cc2)C1
MCULE-2562781307
CCc1cc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(-c2ccccc2)n1
133194103
CCC(N=C(O)C1CCCN(C(=N)O)C1)C(O)c1ccc(C(F)(F)F)cc1
174121864
COSOC1(C(O)=NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N(C)C2CCOCC2C)C1
27935858
O=S(=O)(NCCCN1C2=CC(Cl)=CCC2=CCc2ccccc21)c1ccc(C(F)(F)F)cc1
7569639
C[NH2+]CC[C@@H]1CCC(=O)N1Cc1ccc(C(F)(F)F)cc1F
55429985
CCCC1CCC(C(F)(F)Cc2ccc(-c3cccc(F)c3)cc2)CC1
17498971
N=c1[nH]c(Cl)cc(=NCc2ccc(-n3cncn3)cc2)[nH]1
28797215
COn1c(=NCCc2ccc(C(F)(F)F)cc2)[nH]c2c(c1=O)CN(C(=O)COc1ccc(Cl)cc1)CC2
189304322
C[C@H](C(O)=NCc1ccc(C(F)(F)F)cc1)N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O.Cl
176020466
COc1ccc(CN2C(=O)c3c(c(-c4c(C(=N)O)cc(F)cc4C(F)(F)F)cc4scnc34)C2(O)c2cc(F)ccc2Cl)cc1
140581654
Cc1cnc(C(C)(C)NCC(O)Cc2ccc(C(F)(F)F)cc2)s1
86328101
CCN=c1[nH]cc(Cl)c(=NCc2cnn(C)c2)[nH]1
9288049
COc1cc(C#N)ccc1OCC(O)=NCCc1ccc(C(F)(F)F)cc1
73545041
O=CN1CCN(C(=O)OCc2ccc(C(F)(F)F)cc2)CC1
54273702
O=C(c1ccc(C(F)(F)F)cc1)N1CCCSc2ccccc21
126469668
Oc1nc2ccccc2cc1CN=c1ccc(Cl)c[nH]1
18660071
CCc1ccc(CN=c2[nH][nH]c(=NCc3ccc(CC)cc3)[nH]2)cc1
61421859
COc1cccc(C(O)Cc2ccc(C(F)(F)F)cc2)c1
29576912
CC(C)N1CCN(CCc2ccc(OC(CCN(C)C)c3ccc(C(F)(F)F)cc3)cc2)CC1
85549970
CNc1ccc(C(F)(F)F)cc1C(O)=NCc1ncc[nH]1
143895667
O=C(C(O)=Nc1ccc(C(F)(F)F)cc1)N1CCOC2(CCOC2)C1
74254684
O=C1[N]NN(CCc2ccc(C(F)(F)F)cc2)N1
140001341
CC(C)N=C(O)CN=C(O)c1ccc(C(F)(F)F)cc1O
125035904
CCOC1CC(O)C12CCN(C(=O)C1CC1c1ccc(C(F)(F)F)cc1)CC2
113665868
CCc1cccnc1CN=c1cc(N)nc(C(F)(F)F)[nH]1
190117249
Cn1cc2c3cc(C(O)=NCc4c(C5CC5)cnn4C)ccc3n(-c3ccc(C(F)(F)F)cc3)c2n1
103275034
O=C[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1
175046439
Cc1ccc(N2CCc3[nH]c4ccc(C(O)=NC5CCN(C(=O)c6ccc(C(F)(F)F)cc6)CC5)cc4c3C2)cc1
81065214
CN(C)C(=O)CC1CCC2C(COCC(O)CN2Cc2ccc(C(F)(F)F)cc2)O1
88975610
Cc1ccc(NCC2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1
129927349
CC(C)S(=O)(=O)CCCS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
16682539
C[C@H](N=C(O)CNc1ccc(C(F)(F)F)cc1)C1CC1
27532227
NC(C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OC(F)(F)O2)c1ccccc1
157777316
O=C(CCc1ccc(C(F)(F)F)cc1)N1CCN(c2nccs2)CC1
149000737
CC(C)(C)N=C(C(=NC(C)(C)C)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
198404424
CC(C)(C)S(=O)(=O)NCc1ccc(Cl)c(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(=O)[nH]2)c1
MCULE-7294825233
Cc1cc(CC(O)=NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)on1
88300970
Cc1ccc(C(F)(F)F)cc1N=c1[nH]ccc(C#N)c1N
197872525
Cn1[nH]cnc1=NCc1ccc(Oc2cc(F)cc(F)c2)cc1
90061031
CC1Nc2ccc(C(F)(F)F)cc2N(C)C1C
128851767
O=C(CN1CCN(CC(O)Cc2ccc(C(F)(F)F)cc2)CC1)N1CCCC1
12695572
CCOC(=O)Cc1csc(N=C(O)COc2ccc(C(F)(F)F)cc2)n1
100760177
COCc1nc(O)cc(C(O)=NC(CO)c2ccc(C(F)(F)F)cc2)n1
100847730
C[C@H](N=c1cc(C(=N)O)nc(-c2ccc3c(c2)OC[C@H](O)[C@H]3c2ccc(C(F)(F)F)cc2)[nH]1)C(=N)O
MCULE-3883183199
Cc1ccc(CN=c2nc(Nc3ccc(C(F)(F)F)cc3)[nH]c(N3CCC(CO)CC3)n2)cc1
123646539
CC1CC1NC(O)=Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1
MCULE-5369222630
Cc1nc(N=C(O)COc2ccccc2)ccc1-c1ccc(C(F)(F)F)cc1
MCULE-9098975956
COc1ccc(CC(O)=NCc2cncc(-c3cc(C(F)(F)F)nn3C)c2)cc1OC
166232723
COC(=O)c1ccc(O)c(NC(=NCc2ccc(C(F)(F)F)cc2)NC2CCCCC2)c1
174474021
O=CC1CNCCN1Cc1ccc(C(F)(F)F)cc1
82854070
CN(C)CC(c1ccc(C(F)(F)F)cc1)C1CCCCC1O
81826487
NC(N=O)=C1CC(Cn2cc(C(F)(F)F)cn2)CCN1
180567832
NS(=O)c1ccc(CCN=C(O)c2ccccc2-c2ccccc2CN=C(O)Nc2ccc(C(F)(F)F)cc2)cc1
74860261
COc1c(Cl)cc(Cn2c(=O)n([C@H]3CC[C@H](O)CC3)c3ccc(C(F)(F)F)cc32)cc1Cl
129864200
COc1ccc(CC(O)=NNc2ccc(C(F)(F)F)cc2)cc1
MCULE-1275740288
OC(=Nc1cnccc1-c1ccc(C(F)(F)F)cc1)C1Cc2ccccc2O1
MCULE-4491794819
CCCCN=c1nc(Nc2ccc(C(F)(F)F)cc2)[nH]c(N2CCCC2)n1
MCULE-6109278853
Cc1csc(-c2cc(C(F)(F)F)cnc2N=C(O)c2ccc(CN3CCOCC3)cc2)c1
65412170
NC(=Nc1ccc(F)c(Br)c1)c1no[nH]c1=NCc1ccncc1
15627093
OC(=N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCCSCC1
174980619
C=C/C=C(/CC(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1)C(=C)OC
150821096
c1ccc(CN=c2cc(-c3ccccn3)[nH]c(=NC3CC3)[nH]2)cc1
86099830
NCC1(C(O)=NCc2ccc(F)c(F)c2)CCC1
24656255
N=c1cc[nH]c(-c2ccc(C(F)(F)F)cc2)n1
MCULE-3169013890
O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(CN=C(O)C2CCC2)CC1
165900645
Cc1cc(CSc2ccccc2C(O)=NCc2ccc(C(F)(F)F)cc2)on1
175266830
N=C(O)c1cc(N=CO)cc2c(=NCc3ccc(Cl)c(C(F)(F)F)c3)[nH]cnc12
MCULE-1784561205
COc1ccccc1CN=c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c[nH]1
119310861
CC(CO)NC(=O)C(O)=Nc1ccc(C(F)(F)F)cc1
MCULE-4038095797
O=C1OCCC1N=C(O)Cc1ccc(F)cc1-c1ccc(C(F)(F)F)cc1
166247868
FC(F)(F)c1ccc(-c2csc(=NCc3ccccc3)[nH]2)cc1
33592735
C[C@@H](OP(=O)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1
75876965
CCCN=c1ccc(/C=N/c2ccc(CN=c3ccc(NCCC)c[nH]3)cn2)c[nH]1
MCULE-4581390989
OC(=Nc1ncc(C(F)(F)F)cc1-c1cnc(N2CCOCC2)nc1)c1ccoc1
55641694
Cc1cccc(CN=c2ccc([N+](=O)[O-])c[nH]2)n1
75281089
Cc1cc(C(C)N=C(O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(N=C(O)C(C)(C)O)n1
194669896
Cc1cc(CCN(CCC2CCNCC2)C2=CCc3ccc(C(F)(F)F)cc3S2)ccc1C#N
MCULE-4029048375
CCCCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2-c2cccnc2OCC)CC1