SELFIE
stringlengths 3
558
| SMILES
stringlengths 1
101
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|---|---|
[O][=C][C][C][Branch1][Ring1][C][Br][=N][N][Ring1][#Branch1][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#C][Ring1][#Branch1]
|
O=C1CC(CBr)=NN1c1c2ccccc2nc2ccc(Cl)cc12
|
[C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][N][C][C][C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=Branch1][Ring1][=C][C][C][O][C][Ring1][P][Ring1][=C]
|
CC=C(C)C(=O)OC1CCN2CCC(COC(=O)C(=CC)CO)C12
|
[C][=C][Branch1][Ring2][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][C][=N][C][NH1][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][=C][=Ring1][#Branch2][=C][Ring2][Ring1][Ring2]
|
C=C(COC)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1
|
[C][C][C][C][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][C][=C][Branch1][C][F][C][Ring1][#Branch1][=N][Ring2][Ring1][C]
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CCCCNc1nc(NCc2ccco2)c2cccc(F)c2n1
|
[O][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][=C]
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O=Cc1ccc2c(c1)C=C(C(=O)O)C(C(F)(F)F)O2
|
[C][=C][C][N][C][=Branch1][C][=S][N][N][=C][C][=C][C][=C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][#C]
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C=CCNC(=S)NN=Cc1ccc(OCc2ccccc2Cl)cc1
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring1][N][OH0]
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CC1(C)c2ccccc2C(C)(C)N1[O]
|
[C][O][C][C][C][N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
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COCCCNC(NC(=O)c1ccc(OC)cc1)C(Cl)(Cl)Cl
|
[C][C][Branch1][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring2][Ring1][Branch2]
|
CC1(C)CC(NC(=S)Nc2cccc(F)c2)(c2ccccc2)CCO1
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1]
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COc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
|
[C][C][C][Branch1][C][C][N][C][=N][C][Branch1][C][N][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][Branch1][N][C][C][O][=N][Ring1][=C]
|
CCC(C)Nc1nc(N)c([N+](=O)[O-])c(NCCO)n1
|
[O][=C][Branch2][Ring1][Branch1][C][C][C][C][S][C][C][C][C][C][N][C][C][C][C][C][Ring1][#Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
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O=C(CCCCSCC1CCCN2CCCCC12)N1c2ccccc2Sc2ccccc21
|
[C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][C][Branch1][=C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1][O][P][Ring2][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CC(=O)NC1C2OC(C)(C)OC2C(C2COC(C)(C)O2)OP1(=O)c1ccccc1
|
[C][C][Branch1][#C][N][C][=Branch1][C][=S][C][Branch1][C][N][C][Branch1][C][C][C][B][Branch1][C][O][O]
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CC(NC(=S)C(N)C(C)C)B(O)O
|
[O][=C][NH1][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][F]
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O=c1[nH]cnc2c1ncn2C1OC(OCP(=O)(O)O)C=C1F
|
[F][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][O][C][=C][C][=C][Branch1][C][I][S][Ring1][=Branch1][S][Ring1][O][C][=C][Ring2][Ring1][Ring1]
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Fc1ccc(C=Cc2ccc(-c3ccc(I)s3)s2)cc1
|
[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][Ring2][N][N][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][=C][Ring1][S][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2]
|
CC(C)COC(=O)N1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc32)CC1
|
[C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][O][C][=C][C][C][C][=Branch1][C][=O][O][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][N][Branch1][C][C][C][C][C][Ring1][P][C][Ring2][Ring1][=C][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O]
|
COC(=O)CC1C(C)(C)C(OC(C)=O)C2(O)C=C3C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O
|
[N][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][Ring2][=C][Ring1][=Branch1][Ring2][Ring1][C]
|
NCCNC(=O)COc1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c43
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][P][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][Ring2][Ring1][C]
|
CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2N)C1
|
[C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][O]
|
COC(=O)C(Cc1ccccn1)NC(=O)CCCCCCCC(=O)NO
|
[O][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][=C][C][=C][N][Ring1][=C][C][Branch1][N][C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
O=c1c(-c2cccc(CO)c2)cccn1C(CN1CCC(O)C1)c1ccccc1
|
[N][C][C][C][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
NCCCCCOC(c1ccc(F)cc1)c1ccc(F)cc1
|
[O][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][S][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
O=C(C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1)c1c[nH]c2ccccc12
|
[C][C][=C][C][=Branch1][C][=O][C][Branch1][#C][O][C][Ring1][Ring1][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][S][C]
|
CC1=CC(=O)C2(OC2C(=O)CC(C)C)C(=O)N1C
|
[C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2]
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CC(C)(O)c1ccc2c(c1)CCC1C2CCCN1C(=O)c1ccc2nc[nH]c2c1
|
[C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=Branch1][=Branch1][=C][Branch1][C][Cl][Cl][C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][P]
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CC(=O)OCC1=C(C(=O)O)N2C(=O)C(=C(Cl)Cl)C2S(=O)(=O)C1
|
[C][C][Branch1][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
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CC(C)(C(=O)N1CCC(C(N)=O)C1)c1ccccc1F
|
[N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
NC(=O)C(NCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
|
[C][N][C][=C][Branch2][Ring1][=N][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][NH1][C][=Ring1][Branch1][C][Ring2][Ring1][O][=O]
|
Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
|
[O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
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O=CC=C(c1ccccc1)c1ccccc1
|
[O][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][=C][N][N][=C][Branch1][=C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C][C][Branch1][C][F][=C][Ring2][Ring1][#Branch2]
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O=C(O)c1cc(F)c(-n2nc(Oc3c(Cl)cccc3Cl)c3ccccc32)c(F)c1
|
[O][=C][Branch1][Ring1][N][O][C][N][=C][C][Branch1][C][O][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][N][N][=Ring1][#C]
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O=C(NO)c1nc2c(O)nc3cc(Cl)ccc3n2n1
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[C][C][C][N][N][=C][N][=C][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O]
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CCCn1ncnc1C(C)NC(=O)C1CCN(C(=O)C2CC2)CC1
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][#Branch2]
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O=C1NC(=O)C(CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccc(Cl)cc2)S1
|
[O][=C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
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O=C(COc1ccc(Br)cc1CNC1CCCCC1)NCCc1ccccc1
|
[C][C][Branch1][C][C][C][C][N][C][Branch1][C][S][=N][N][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
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CC(C)CCn1c(S)nnc1COc1ccccc1
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=N][O][C]
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COc1ccc(C(CC(=O)NCc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1OC
|
[C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][S][C][Ring2][Ring1][O]
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COc1cc(O)c2c(c1C)C(=O)OCC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)O)CSC2
|
[N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1]
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Nc1ccc(S(=O)(=O)NCCCCc2c[nH]cn2)cc1
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][C][Branch2][Ring2][S][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][=C][C][=C][Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch1][Br]
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NS(=O)(=O)C(F)(F)c1cc2nc(CN(Cc3ccc(-c4csnn4)cc3)S(=O)(=O)c3ccc(OCC(=O)O)cc3)ccc2cc1Br
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[O][=S][=Branch1][C][=O][Branch2][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O]
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O=S(=O)(NCCC=C1c2ccccc2CCc2ccccc21)c1ccc(OC(F)(F)F)cc1
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][C][Ring1][Branch2][C][Ring1][=Branch1]
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CC(=O)Nc1ccc2c(c1)C1CNCC2C1
|
[N][=C][Branch1][C][N][N][C][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][O][=O]
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N=C(N)NCCCCOc1ccc2c(c1)CCN(CC(=O)O)C2=O
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[C][O][C][=C][C][=C][Branch2][Ring2][P][C][C][N][Branch1][C][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring1][O][C]
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COc1ccc(CCN(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)cc1OC
|
[C][N][Branch2][Ring1][S][C][C][C][C][C][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=C][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
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CN(CCCCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccccc1
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[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1]
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O=[N+]([O-])c1ccc(N2CCCC2)c2ccccc12
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[C][C][C][Branch1][Ring1][C][N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=N][C][=N][C][S][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Ring1][=C][=Ring1][#Branch2]
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CCC(CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][P]
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CCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
|
[C][S][C][=C][Branch1][C][N][N][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring1][=C][Cl]
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CSc1c(N)nc(N2CCN(C)CC2)nc1Cl
|
[C][C][=C][Branch1][C][F][C][Branch1][C][N][=C][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring2][Ring2][Cl]
|
Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C(C)C)cc3)ccc2N2CCN(C)CC2)c1Cl
|
[C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1]
|
CN1CCCC1c1ccc(N)nc1
|
[N][=C][Branch1][C][N][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
N=C(N)NC(=O)C1CC1c1cccc(Cl)c1
|
[C][C][S][C][C][=N][S][N][=C][Ring1][Branch1][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]
|
CCSCc1nsnc1OC1CN2CCC1CC2
|
[C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1]
|
CCCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][O]
|
CCCCCCCCCCCCCCCCNCCO
|
[C][C][O][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][Branch1][C][C][C][C][=C][Ring1][N]
|
CCOc1ccc(OCCC(C)C)cc1
|
[C][O][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][N][=C][Ring2][Ring1][Ring2]
|
COc1cnc(N2CCCN(c3ccc(F)cc3)CC2)nc1
|
[C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][Ring2][Ring1][C][Ring1][#Branch1]
|
CC(=O)OC1CC(C)=C2C(=O)C=C(C)C2C2OC(=O)C(C)C12
|
[C][C][Branch1][C][C][C][C][Branch2][=Branch1][S][N][C][=Branch1][C][=O][C][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][N][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CC(C)CC(NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(C)CCCCN)C(C)(C)C)C(=O)O
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][C][=N][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][N]
|
COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1
|
[C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=C][C][Branch2][Ring1][Branch2][N][C][C][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C][Ring1][=C][=N][C][=N][Ring2][Ring1][Branch1]
|
CC(C)(C)CCNc1cc(NC2CCN(Cc3cccc(F)c3O)C2)ncn1
|
[C][N][N][=N][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C]
|
Cn1nnc2c(N3CCCCC3)ncnc21
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][Branch1][C][C][N][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][C][C][=N][Ring1][=C][=C][Ring2][Ring1][#Branch1]
|
COc1cccc(C(C)Nc2cc(-c3ccccc3C)nc(C)n2)c1
|
[C][N][C][Branch2][Ring2][#Branch1][N][C][=C][Branch1][C][Cl][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][C][Cl][=N][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=C][Branch1][O][N][C][C][C][Branch1][C][F][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring2][P]
|
Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CCC(F)C3)cc21
|
[O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
O=C(C=Cc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1
|
[C][C][C][C][C][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P]
|
CCCCc1nc2cccc(F)c2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
|
[C][C][C][N][Branch1][#Branch1][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][O][C][Ring2][Ring1][S][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CC1CN(C(C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2OC1CN(C)C(=O)Nc1cccc2ccccc12
|
[C][O][C][=C][C][Branch2][Ring1][=Branch2][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring1][=N][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C]
|
COc1cc(-c2oc3cc(F)cc(F)c3c(=O)c2O)cc(OC)c1OC
|
[N][#C][C][=C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][=Branch2]
|
N#Cc1cccc(C(=O)C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c1
|
[C][N][Branch1][#Branch2][C][C][C][C][=N][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C]
|
CN(CCc1cn[nH]c1)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
|
[C][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][P][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][S][C][C][Ring2][Ring2][Branch2]
|
CC(=O)N1CCC(C(=O)N2CCC(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(c3ccccc3C)C2)CC1
|
[C][C][=C][Branch1][C][C][C][Branch1][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][C][Ring1][#C]
|
CC1=C(C)C(C)(c2ccc(CO)cc2)CC1
|
[C][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#C]
|
CCN1c2ncccc2C=Cc2cccnc21
|
[O][=C][Branch2][Ring1][S][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][O][N][Ring1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][Ring1][Ring2]
|
O=C(NCC1C(c2ccccc2)C(CO)N1Cc1ccccn1)C1CCC1
|
[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring2][=N][N][C][C][N][Branch2][Ring1][S][C][=N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C][C][C][Ring2][Ring1][#Branch2][C][C][=N][Ring2][Ring1][P]
|
COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)CC2C)cn1
|
[C][C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][O][N][=Ring2][Ring1][Ring2]
|
Cc1cc(-c2ccccc2C(=O)NC2CCCCC2)on1
|
[C][C][Branch1][C][C][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][C][C][Branch1][C][C][N][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][C][Branch1][C][C][=N][Ring1][S][=C][Ring2][Ring1][=Branch2]
|
COc1cccc(C(C)Nc2cc(-c3ccc(N(C)C)cc3)nc(C)n2)c1
|
[C][N][Branch1][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][O][C][C][C][C][Ring1][Ring1]
|
CN(C)CCS(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CC1
|
[C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Branch1][Branch2][C][C][N][Branch1][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1]
|
COc1ncccc1C(C)c1c(CCN(C)C)sc2ccccc12
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
|
CCCN(CCC)C(=O)C1c2ccccc2Oc2ccccc21
|
[C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
|
CC(C(=O)Nc1ccc(C#N)cc1)N1CCc2ccccc21
|
[O][=C][Branch1][C][O][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][O]
|
O=C(O)c1cc(=O)c2ccccc2[nH]1
|
[C][N][C][=C][Branch2][Ring2][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][N][C][C][Ring1][P][C][=N][Ring2][Ring1][S]
|
Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)C(Cc2ccc(Cl)c(Cl)c2)C(N)CC3)cn1
|
[C][C][C][C][C][C][C][Ring1][=Branch1][O][C][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][#C]
|
CC12CCCCC13OC3C(=O)C(C(N)=O)C2
|
[O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
O=C(Nc1ccc(Br)cc1F)c1cccnc1
|
[O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1]
|
O=C(NCCc1ccc(Cl)cc1)NCCc1c[nH]c2ccc(O)cc12
|
[C][C][Branch1][S][C][C][=C][C][=C][Branch1][Branch1][O][C][C][F][C][=C][Ring1][#Branch2][N][C][C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2]
|
CC(Cc1ccc(OCCF)cc1)NCC(O)c1cc(O)cc(O)c1
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1]
|
COc1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1
|
[C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2]
|
Cc1ccc(Cl)cc1N1CCN(S(C)(=O)=O)CC1
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][O]
|
CC(=O)Nc1ccc(OC(C)(C)C)cc1
|
[C][C][C][C][C][N][Branch2][Ring2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#C]
|
CC1CCCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)C1
|
[C][C][Branch1][C][C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C=O)CNC(=O)c1ccccc1
|
[O][=C][Branch1][C][O][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][O][O][Ring1][=C][C][Branch1][C][F][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
|
O=C(O)C1CN(Cc2ccc(-c3cc4cc(OCC5CC5)ccc4o3)c(F)c2)C1
|
[C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][P][N][=Ring2][Ring1][Ring2][S][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][#C][C]
|
CCOC(=O)c1c(NC(=O)c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)sc(C(C)=O)c1C
|
[O][=C][C][Branch1][#C][C][=C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][=C][C][=C][C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][N][Ring1][=C]
|
O=c1c(C=CC(O)c2ccccc2)coc2cccc(OCC3CCCCC3)c12
|
[N][C][=C][N][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch1][P][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring2][Ring1][C][F][C][=N][Ring2][Ring1][=Branch2]
|
Nc1cnc(-c2ccc(-c3cccnc3N3CCCC3=O)cc2F)cn1
|
[O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
|
O=C(CCc1ccccc1)NCC1CCN(Cc2ccccc2)CC1
|
[C][C][=N][N+1][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Branch1][C][C][N][Ring1][P][N]
|
Cc1n[n+](CC(=O)c2ccc(Cl)cc2Cl)c(C)n1N
|
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