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MolPILE

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814
99367078
FC(F)(F)c1ccc(C2=CCC(c3cccc4cccnc34)=C2)cc1
MCULE-1487235144
OC(=Nc1ncc(-c2ccc(C(F)(F)F)cc2)cn1)C1CC(F)(F)C1
198015873
O=C(O)c1ccc(CC(O)=NC(c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1
131060420
COCCCN=C(O)C(C)SC(C)c1ccc(C(F)(F)F)cc1
175155237
N#CC[C@H]1C[C@H](Oc2ccc(C(F)(F)F)cc2)CN1C(=O)O
108102786
OC(=NCCOc1ccc(C(F)(F)F)cn1)C1[C@H]2CCC[C@@H]12
85995918
OC(CC1CC1)c1ccc(C(F)(F)F)cc1
188984924
Cn1ncc2c(=N)[nH]c3cnc(C(=O)N4CCOC[C@@H]4c4ccc(C(F)(F)F)cc4)cc3c21
165582392
COCC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
MCULE-4344133274
OC(=NC1CC1)c1cn(Cc2ccc(O)c(C(F)(F)F)c2)nc1O
18904722
CN(Cc1ccccc1)S(=O)(=O)N=C(O)Cc1ccc(C(F)(F)F)cc1
18491106
Cc1n[nH]cc1CN=c1ccc(C#N)c[nH]1
3952152
C[C@H]1CC[C@]2(CC1)N=C(O)N(N=C(O)Cc1csc(-c3ccc(C(F)(F)F)cc3)n1)C2=O
27914399
CN(C)CC1C(=O)CC2C=C(C3CC3)C1N2S(=O)(=O)c1ccc(C(F)(F)F)cc1
17109825
OC(=NCCc1ccc(C(F)(F)F)cc1)NC1CC1
197858873
CC(=O)N1CCN(c2ccccc2CNC2CC2Cc2ccc(C(F)(F)F)cc2)CC1
165752691
CCN(c1ccccc1)S(=O)(=O)c1ccc(=NCc2cccc3cccnc23)[nH]c1
83545374
CCc1ccc(C2=CC(c3cccc(C)c3)N3NNNC3=N2)cc1
187282460
O=S(OC1=Cc2ccc([C@@H]3CCCOC(O)=NC3)cc2CC1)C(F)(F)F
MCULE-3108455765
CC(O)=Nc1ccc(S(=O)(=O)Nc2ccc(=NCc3ccc(Cl)cc3)[nH]c2)cc1
200432386
COC(=O)c1cc(Br)nn1Cc1ccc(C(F)(F)F)cc1
161599342
COc1ccc(Cn2cc(C(F)(F)F)cc2C(=O)O)cc1OC
6347345
C[C@@H](Oc1cccc(C=O)c1)C(O)=NCCN=c1ccc(C(F)(F)F)c[nH]1
93163666
CCNC(Cc1ccc(C(F)(F)F)cc1)c1cnnn1C
MCULE-1163491454
N=c1nc(Cl)[nH]c2c(-c3ccc(C(F)(F)F)cc3Cl)c(C3CCC3)nn12
26659957
O=C(Cc1ccc(Cl)c(Cl)c1)N(O)[C@H](CN1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1
76520357
OC(C=Cc1cc(C(F)(F)F)ccc1Cl)=Nc1cc(Cl)ccc1Cl
116040820
CCN1CCN(C(=O)c2ccc(=NCc3ccccc3Cl)[nH]c2)CC1
167310457
FC(F)(F)c1ccc(-c2cn(Cc3ccc(Cl)cc3)nn2)cc1
175549289
CCC(C)(c1ccc2ccc(=NC)[nH]c2c1)c1ccc2ccc(=NCC3CC3)[nH]c2c1
17167621
O=S(=O)(N1CCC(CN=c2[nH]cnc3ccccc23)CC1)C(F)(F)F
175233964
CC.CN1C(=S)c2c(nn(Cc3ccc(C(F)(F)F)cc3)c2Nc2ccccc2)N2C1=NC1CCCC12
166999735
Cc1ccccc1CN1Cc2[nH]c(=NCc3ccncc3)ccc2OCC1=O
82168914
COc1nsc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C(C(O)=NCc3ccc(C(C)(C)C)cc3)C2)n1
128262949
CCC(C)(C)N=C(O)C(Sc1ccc(C(F)(F)F)nn1)C(C)C
85431087
COc1ccc(CN=c2[nH]cncc2N)cc1OC
107358794
CC[C@@H]1C(O)=NCCN1C(=O)/C=C/c1ccc(C(F)(F)F)cc1
67525076
CCN(Cc1ccccc1)C(=O)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1
85177081
CCCN1CCOC(C(=O)c2ccc(C(F)(F)F)cc2)C1
86327028
CCCN(CC(F)(F)F)c1nc(=NC)[nH]cc1C
86767159
Cc1cc(=S)n(-c2ccc(C(F)(F)F)cc2)[nH]1
47348082
FC(F)(F)c1ccc(-n2c(Cl)nnc2C2CC2)cc1
198738320
O=C(CC1CCC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1O
31348271
CCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C(=O)O
88502522
CC(C)CN=C1N=C(O)C(c2ccc(C(F)(F)F)cc2)N1
30105740
COC(=O)C(Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C
100692024
CCSc1ncccc1-c1nc2cc(C(C)(F)F)ccc2o1
57199071
OC(Cc1csc(-c2cccc(F)c2)n1)=Nc1cc(C(F)(F)F)ccc1-n1cncn1
1754989
CN(Cc1ccccc1C(F)(F)F)C(O)=NCc1ccc(Cn2cccn2)cc1
51689329
COC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1
187913626
N=C(O)CN1CCC(N)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CC1
89927794
C=CCN=c1ccc(C(=O)N2CCCc3ccccc32)c[nH]1
193815249
COc1ccc(F)c(-c2ccc(=O)n(C(C)C(=O)Cc3ccc(C(F)(F)F)cc3)n2)c1
113397645
COc1ccc(=NCCC2CCCNC2)[nH]c1
157810478
O=C1C[C@H](CN=c2ccc(S(=O)(=O)N3CCCCC3)c[nH]2)CN1C1CC1
68487877
COc1cccc(=NCc2ccc(C)cc2)[nH]1
181334501
[N-]=[N+]=Nc1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc(Oc4ccc(F)cc4)cc3)C2)c1
MCULE-2383133145
O=C(CCc1ccc(C(F)(F)F)cc1)N1CC2CCC(C1)N2C(=O)c1nccs1
150960905
NC[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1
54765322
COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)N=C(O)[C@H](Cc1ccc(OCCF)cc1)n1cc(COc2ccc3nc(S(N)(=O)=O)sc3c2)nn1
188056346
CC[C@@H]1CNCC[C@H]1N=c1[nH]cc(C(F)(F)F)nc1Cc1ccc(F)cc1
53243256
N=C(O)C1(c2ccc(C(F)(F)F)cc2)CCCCC1
73908313
OC(=NCc1ccc(C(F)(F)F)cc1)N(S)c1cc(Br)c(O)c(Br)c1
155111408
CCC(C)(C)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1
184463343
CC(C)(O)C1CCC(CN=c2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3[nH]2)CC1
174598361
CC(C)(C)C=CCS(=O)(=O)N1CCC(N=C(O)Nc2ccc(C(F)(F)F)cc2)CC1
30576582
CC(O)(CN1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)Cn1cc([N+](=O)[O-])nc1Cl
7277195
Cc1[nH]c(=NCc2ccc(Cl)cc2)nc(O)c1Cc1ccc(Cl)cc1
187861004
CC(C)(C)C[C@H](NC(=O)c1ccc2cc(N)ccc2c1OCc1ccc(C(F)(F)F)cc1)C(=O)O
180024514
CC1NC2CC=CC=C2CC1C1CCC(=CCC2=C(CC3=CCCCC3)N=CC(c3ccc(C(F)(F)F)cc3)N2)CC1
34240377
CCOC(=O)/C=C/C(Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)N=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O
MCULE-4976975281
CC1CCc2c1c(O)nn2Cc1ccc(C(F)(F)F)c(Br)c1
73474193
COc1ccc(CN2C=c3cccc(F)c3=C3NN(c4ccc(C(F)(F)F)cc4)C(O)=C32)cc1.O
25262091
Oc1c2c(-c3ccc(F)cc3)c(Cc3ccc(C(F)(F)F)cc3)c(C3CCCC3)[nH]c-2c2cc(Cl)c(Cl)cc12
11435727
CC(O)=N[C@H](Cc1ccccc1F)C(O)=NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
34339980
COc1ccccc1-c1cnc2c(=NCC3CC3)[nH]ccn12
136184449
Cc1ccc(-c2c[nH]cc2C(=O)N(C)CC(F)(F)F)s1
86303183
CCNc1cc(=NCc2cccc(C)c2)[nH]c(C)n1
123089651
CC(Cc1cccc(C(F)(F)F)c1)C(O)=NCC(N)C1CC1
129481173
O=C(OCCc1ccc(C(F)(F)F)cc1)c1cccnc1
153350181
CSC(=Nc1cccc([C@H]2CN3CCSC3=N2)c1)Nc1ccc(C(F)(F)F)cc1
3352710
O=C(NC1CCCC1)c1ccc(CN=C(O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1
120524465
CC(F)(F)c1ccc(NCC2CCNCC2)c(O)c1
19087553
Cc1nccn1C[C@@H](C)CNC(O)=NCCc1ccc(C(F)(F)F)cc1
75338010
FC(F)(F)c1cc(C(F)(F)F)n(Cc2c[c]ccc2)n1
97637389
CC(O)(c1ccc(C(F)(F)F)cc1)c1ccc([Si](C)(C)C)cc1
MCULE-7081900673
O=C(Cn1cccn1)N1CCC(F)(CN=C(O)CCc2ccc(C(F)(F)F)cc2)CC1
107378146
O=C1CN=C(O)N1CCN=C(O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1
68347457
[CH2]O/N=C(\C)c1ccc(C(F)(F)F)cc1
141441487
CN(C)C(O)=Nc1ccc(C(O)=NCc2ccc(C(F)(F)F)cc2)c(Cl)c1
CSSS20528571895
Cc1cc(=NCc2cccnc2C2CC2)[nH]cc1F
80540143
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CN=C(O)C=Cc1ccccc1
139541852
OC(CSc1ccc(C(F)(F)F)cn1)=Nc1cccc(O)c1F
MCULE-3887284888
CC(C)C(=O)N(c1ccc(C(F)(F)F)cc1)C(C)CCc1ccccc1
MCULE-5388153038
CCC(C)(N=C(O)C(Cc1ccncc1)c1ccccc1)C(O)=Nc1cc(C(F)(F)F)ccc1Cl
80388591
O=C(c1ccc(=NCc2ccccc2F)[nH]c1)N1CCc2ccccc21
11249439
FC(F)(F)c1ccc(Cn2ccnc2C[NH2+]C[C@@H]2CCCO2)cc1
114768312
CC(C)(C)c1ccc(=NCCCCCl)[nH]c1
MCULE-3630544111
O=C(C1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)N1CCN(c2ncc(-c3ccc(C(F)(F)F)cc3)cn2)CC1
5554262
Oc1nc2c(c(SCc3ccc(C(F)(F)F)cc3)n1)CCC2