661 SMILES Strings for Menin

Compound Name
SMILES String
C(C1CCNCC1)C1(NCCc2ccccc12)C1CCCC1
C(C1CN(C1)c1ncccn1)N1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1
C(CNc1ncnc2sc3CCCCCc3c12)Cn1ccnc1
C(COc1ccccc1)CN1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1
C(N1CCC(CC1)C1(CNCc2ccccc12)c1ccccn1)c1ccccc1
C(N1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1)c1ccccc1
C(N1CCC(CC1)Nc1ncnc2sc3CCCc3c12)c1ccccc1
C(N1CCC(CC2(NCCc3ccccc23)C2CCCC2)CC1)c1ccccc1
C1CCC(C1)C1(NCCc2ccccc12)C1CCNCC1
C1CN(CCN1c1nccs1)c1ncnc2sc(cc12)-c1ccccc1
C1CN(CCN1c1nccs1)c1ncnc2sccc12
C=CCC1(NCCc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CC(=C)CC1(NCCc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CC(=O)N1C(C2=C(CC(CC2=O)c2ccc(C)cc2)Nc2ccccc12)c1cccnc1 |t:5|
CC(=O)N1C(C2=C(CC(CC2=O)c2ccc(Cl)c(Cl)c2)Nc2ccccc12)c1cccnc1 |t:5|
CC(=O)N1C(C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2ccccc12)c1cccnc1 |t:5|
CC(=O)N1C(C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2ccccc12)c1ccncc1 |t:5|
CC(=O)N1CCC(CCn2c(cc3c(C)c(CN4CCC(CC4)Nc4ncnc5sc(CC(F)(F)F)cc45)ccc23)C#N)CC1
CC(=O)N1CCCC(C1)C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
CC(=O)N1CCC[C@@H]1C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CC(=O)N1CCC[C@H]1C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CC(=O)N1CCN(CCn2c(cc3c(C)c(CN4CCC(CC4)Nc4ncnc5sc(CC(F)(F)F)cc45)ccc23)C#N)CC1
CC(=O)NCC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
CC(=O)N[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CC(=O)N[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
CC(=O)N[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CC(=O)N[C@@H]1CCC[C@H]1C1(CNCc2ccccc12)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1 |r|
CC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
CC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CC(=O)N[C@H]1CCC[C@@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
CC(=O)N[C@H]1CCC[C@@H]1C1(CNCc2ccccc12)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1 |r|
CC(=O)OC[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
CC(=O)OC[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
CC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(CC(F)(F)F)cc2)CC1)c1cccc(F)c1 |r|
CC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1cccc(F)c1 |r|
CC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1cccc(c1)C(F)(F)F |r|
CC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C(O)=O)CC1)c1ccccc1 |r|
CC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
CC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1F |r|
CC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1cccc(F)c1 |r|
CC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccnc(C)c2)CC1)c1ccccc1 |r|
CC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1 |r|
CC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1F |r|
CC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(CC(F)(F)F)cc2)CC1)c1cccc(F)c1 |r|
CC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1cccc(F)c1 |r|
CC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1cccc(c1)C(F)(F)F |r|
CC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C(O)=O)CC1)c1ccccc1 |r|
CC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
CC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1F |r|
CC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1cccc(F)c1 |r|
CC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1 |r|
CC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1F |r|
CC(C)(C#N)c1ccc(CN2CCC3(CCN(C3)c3ncnc4sc(CC(F)(F)F)cc34)C2)cc1
CC(C)(C)S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
CC(C)C(=O)N1CCCCC1C1(CN(C)Cc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CC(C)C(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CC(C)C(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CC(C)C(O)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
CC(C)CC1(NCCc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CC(C)CCC1(NCCc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1C(=C)C2 |r,TLB:32:34:37.38:42.40,41:40:34.35:37.38|
CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1CC2=C
CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1C[C@@H]2CC1CC1
CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1C[C@H]2CC1CC1
CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)C2NC3CCC2CC3)C1 |(-9.34,-3.59,;-8,-4.36,;-6.67,-3.59,;-8,-5.9,;-9.34,-6.67,;-10.67,-5.9,;-9.34,-8.21,;-6.67,-6.67,;-5.33,-5.9,;-6.67,-8.21,;-8,-8.98,;-8,-10.52,;-9.34,-11.29,;-6.67,-11.29,;-5.33,-10.52,;-5.33,-8.98,;-4,-8.21,;-2.67,-8.98,;-2.67,-10.52,;-1.33,-11.29,;,-10.52,;,-8.98,;-1.33,-8.21,;-1.33,-6.67,;-.24,-5.58,;-1.33,-4.49,;-.24,-3.4,;-1.33,-2.31,;-2.42,-3.4,;-1.33,-.77,;-2.67,,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.08,.26,;1.08,1.28,;-2.42,-5.58,)|
CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2C(=C)C3)C1
CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2CC3=C)C1
CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2C[C@@H]3CC2CC2)C1
CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2C[C@H]3CC2CC2)C1
CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2[C@@H](F)C3)C1
CC(C)N1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1
CC(C)S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
CC(C)c1cc2c(ncnc2s1)N1CCCN(CC1)C1=NCC(C)(C)S1 |t:22|
CC(C)c1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 |t:21|
CC(C)c1cc2c(ncnc2s1)N1CCN(CC1)c1nnc(s1)C(F)(F)F
CC(COc1ccc(cc1)C#N)CN1CCC(CC1)C(C#N)(C1CCCC1)c1ccccc1
CC(N1CCN(CCn2c(cc3c(C)c(CN4CCC(CC4)Nc4ncnc5sc(CC(F)(F)F)cc45)ccc23)C#N)CC1)C(N)=O
CC(O)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
CC(c1ccc(CN2CCC3(CCN(C3)c3ncnc4sc(CC(F)(F)F)cc34)C2)cc1)S(N)(=O)=O
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc2OCOc2c1 |c:6|
CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(Br)cc12 |c:4|
CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12 |c:4|
CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(CC(F)F)cc12 |c:4|
CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(CCF)cc12 |c:4|
CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(Cc3ccccc3)cc12 |c:4|
CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(cc12)C(F)(F)C(F)(F)F |c:4|
CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(cc12)C(F)(F)F |c:4|
CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc3CCCCc3c12 |c:4|
CC1CCc2c(C1)sc1nc(CN3CCOCC3)nc(N3CCN(CC3)c3nc(C)cs3)c21
CC1CCc2c(C1)sc1ncnc(NC3CCN(Cc4ccccc4)CC3)c21
CC1CN(CCCOc2ccc(cc2)C#N)CCC1C(C#N)(C1CCCC1)c1ccccc1
CCC(=O)N1CCN(CCn2c(cc3c(C)c(CN4CCC(CC4)Nc4ncnc5sc(CC(F)(F)F)cc45)ccc23)C#N)CC1
CCC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CCC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CCC(C)CC1(NCCc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CCC(CC)C(=O)N1CCCCC1C1(CN(C)Cc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CCC(CC)C1(NCCc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CCC(CC)CC1(NCCc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CCC1CCCC1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1
CCCC(=O)N1CCCCC1C1(CN(C)Cc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CCCC(=O)Nc1ccc(cc1)-c1nc(CC(N)=O)sc1C
CCCC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CCCC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CCCC(C)C1(NCCc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CCCCC(=O)c1cc2cc(CCN3CCC(CC3)C3(NCCc4ccccc34)C3CCCC3)ccc2n1C
CCCCC(O)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
CCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC |r|
CCCN1CCN(CCn2c(cc3c(C)c(CN4CCC(CC4)Nc4ncnc5sc(CC(F)(F)F)cc45)ccc23)C#N)CC1
CCCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 |t:21|
CCN(CCNc1ncnc2sc(CC)cc12)Cc1ccccc1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2(C)CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C(F)(F)F)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)C(C)C1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CCCC2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)CC)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)CC2CC2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccc(cc2)C(O)=O)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccnc2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccn(C)c2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccnc(C)c2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccnc(CC)c2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccnc(c2)C(F)(F)F)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccnc3cnccc23)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2C)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2CC)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(CC)c2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2C)S(=O)(=O)C2CC2)CC1
CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2Cl)S(=O)(=O)C2CC2)CC1
CCN1Cc2ccccc2C(C1)([C@H]1CCC[C@@H]1NC(=O)NC)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1 |r|
CCN1Cc2ccccc2C(C1)([C@H]1CCC[C@@H]1NC(=O)NC)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1 |r|
CCN1Cc2ccccc2C(C1)([C@H]1CCC[C@@H]1NC(=O)NC)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccn(C)c2)CC1 |r|
CCN1Cc2ccccc2C(C1)([C@H]1CCC[C@@H]1NC(=O)NC)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1 |r|
CCN1Cc2ccccc2C(C1)([C@H]1CCC[C@@H]1NC(C)=O)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1 |r|
CCNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CCNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CCNC(=O)[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
CCO[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CCO[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1 |r|
CCS(=O)(=O)N1CCN(CCn2c(cc3c(C)c(CN4CCC(CC4)Nc4ncnc5sc(CC(F)(F)F)cc45)ccc23)C#N)CC1
CCS(=O)(=O)c1ccc(cc1)N1CC(C1)C(=O)N1CCC(CC1)C1(NCCc2c(F)cccc12)C1CCCC1
CCS(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CC(C)(C)C)NCCc3ccccc23)C1
CCS(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(C)Cc3ccccc23)C2CCCC2)C1
CCS(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
CCc1cc2c(NC3CCN(Cc4ccccc4)CC3)ncnc2s1
CCc1cc2c(NCC3CCN(Cc4ccc(F)cc4)CC3)ncnc2s1
CCc1cc2c(NCC3CCN(Cc4cccc(C)c4)CC3)ncnc2s1
CCc1cc2c(ncnc2s1)N1CCCN(CC(=O)N2CCCC2)CC1
CCc1cc2c(ncnc2s1)N1CCCN(CC1)C1=NCC(C)(C)S1 |t:21|
CCc1cc2c(ncnc2s1)N1CCN(C)CC1
CCc1cc2c(ncnc2s1)N1CCN(CC(=O)N2CCN(C)CC2)CC1
CCc1cc2c(ncnc2s1)N1CCN(CC(=O)N2CCOCC2)CC1
CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)c1ccccc1
CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)c1ccco1
CCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 |t:20|
CCc1cc2c(ncnc2s1)N1CCN(CC1)c1ccccn1
CCc1cc2c(ncnc2s1)N1CCN(CC1)c1ncccn1
CCc1cc2c(ncnc2s1)N1CCN(CC1)c1nnc(CC)s1
CCc1cc2c(ncnc2s1)N1CCN(CC1)c1nnc(s1)C(F)(F)F
CCc1cc2c(ncnc2s1)N1CCN(Cc2ccc(Cl)cc2)CC1
CCc1cc2c(ncnc2s1)N1CCN(Cc2ccccc2)CC1
CCc1nccn1CC([C@@H]1CCC[C@H]1OC(=O)NC)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CCc1nccn1CC([C@H]1CCC[C@@H]1OC(=O)NC)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1 |r|
CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r|
CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1 |r|
CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1 |r|
CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCCCC2)CC1)c1cccc(F)c1 |r|
CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1 |r|
CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
CN(C)C(=O)N[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CN(C)C(=O)N[C@@H]1CCC[C@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
CN(C)C(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CN(C)C(=O)N[C@H]1CCC[C@@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
CN(C)C(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CN(C)S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
CN(CCO)c1ccc(CN2CCC3(CCN(C3)c3ncnc4sc(CC(F)(F)F)cc34)C2)cc1
CN([C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1)S(C)(=O)=O |r|
CN([C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1)S(C)(=O)=O |r|
CN1CCC(CC1)C1(CN(C)Cc2ccccc12)C1CCCCN1
CN1CCC(CC1)C1(CN(C)Cc2ccccc12)C1NCCC=C1 |c:25|
CN1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1
CN1CCN(CC1)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
CN1CCN(CCn2c(cc3c(C)c(CN4CCC(CC4)Nc4ncnc5sc(CC(F)(F)F)cc45)ccc23)C#N)CC1
CN1CCc2ccccc2C1(C1CCCC1)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CN1CCc2ccccc2C1(C1CN(CCCCCOc2ccc(cc2)C#N)C1)C1CCCC1
CN1COCN([C@@H]2CCC[C@H]2C(C#N)(C2CCN(CC3CN(C3)c3ccc(cc3)S(=O)(=O)c3ccncc3)CC2)c2ccccc2)C1=O |r|
CN1COCN([C@H]2CCC[C@@H]2C(C#N)(C2CCN(CC3CN(C3)c3ccc(cc3)S(=O)(=O)c3ccncc3)CC2)c2ccccc2)C1=O |r|
CN1Cc2ccc(F)cc2C(C1)([C@@H]1CCC[C@H]1OC(C)=O)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1 |r|
CN1Cc2ccc(F)cc2C(C1)([C@@H]1CCC[C@H]1OC(C)=O)C1CCN(CCCOc2ccc(cc2)C#N)CC1 |r|
CN1Cc2ccc(F)cc2C(C1)([C@H]1CCC[C@@H]1OC(C)=O)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1 |r|
CN1Cc2ccc(F)cc2C(C1)([C@H]1CCC[C@@H]1OC(C)=O)C1CCN(CCCOc2ccc(cc2)C#N)CC1 |r|
CN1Cc2cccc(Cl)c2C(C1)(C1CCCC1)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CN1Cc2cccc(F)c2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1
CN1Cc2cccc(F)c2C(C1)(C1CCCC1)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1
CN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1
CN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1
CN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(C)(=O)=O)CC1
CN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CCCOc2ccc(cc2)C#N)CC1
CN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CCCOc2ccc(cc2)S(C)(=O)=O)CC1
CN1Cc2ccccc2C(C1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccnc(C)c2)CC1)C1=CCCC1 |t:44|
CN1Cc2ccccc2C(C1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(C)(=O)=O)CC1)c1ccccn1
CN1Cc2ccccc2C(C1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)C1CCCCN1C(C)=O
CN1Cc2ccccc2C(C1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccn1
CN1Cc2ccccc2C(C1)([C@@H]1CCC[C@H]1NC(C)=O)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 |r|
CN1Cc2ccccc2C(C1)([C@@H]1CCC[C@H]1OC(C)=O)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1 |r|
CN1Cc2ccccc2C(C1)([C@H]1CCC[C@@H]1NC(C)=O)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 |r|
CN1Cc2ccccc2C(C1)([C@H]1CCC[C@@H]1OC(C)=O)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1 |r|
CN1Cc2ccccc2C(C1)([C@H]1CCC[C@@H]1OC(C)=O)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccnc(C)c2)CC1 |r|
CN1Cc2ccccc2C(C1)([C@H]1CCC[C@@H]1OC(C)=O)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 |r|
CN1Cc2ccccc2C(C1)([C@H]1CCC[C@@H]1OC(N)=O)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 |r|
CNC(=O)C[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CNC(=O)C[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CNC(=O)N[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CNC(=O)N[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CNC(=O)N[C@@H]1CCC[C@H]1C(CN)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
CNC(=O)N[C@@H]1CCC[C@H]1C(CNC(=O)c1cocn1)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CNC(=O)N[C@@H]1CCC[C@H]1C1(CN(C)Cc2ccccc12)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 |r|
CNC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CNC(=O)N[C@H]1CCC[C@@H]1C(CN)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
CNC(=O)N[C@H]1CCC[C@@H]1C(CNC(=O)c1cocn1)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CNC(=O)N[C@H]1CCC[C@@H]1C1(CN(C)Cc2ccccc12)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1 |r|
CNC(=O)N[C@H]1CCC[C@@H]1C1(CN(C)Cc2ccccc12)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 |r|
CNC(=O)N[C@H]1CCC[C@@H]1C1(CN(C)Cc2ccccc12)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1 |r|
CNC(=O)N[C@H]1CCC[C@@H]1C1(CN(Cc2ccccc12)C(C)C)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1 |r|
CNC(=O)N[C@H]1CCC[C@@H]1C1(CNCc2ccccc12)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC1)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)c1ccccc1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2(C)CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(C)cc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C(C)(C)C)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccn(C)n2)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2nn(C)cc2Br)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(CN1CCCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(Cn1cccc1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(Cn1ccnc1C)(C1CCN(CC2CN(C2)c2ccc(Cl)cc2)CC1)c1cccc(F)c1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1C(Cn1ccnc1C)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1cccc(F)c1 |r|
CNC(=O)O[C@@H]1CCC[C@H]1[C@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC1)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)c1ccccc1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2(C)CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(C)cc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C(C)(C)C)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccn(C)n2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2nn(C)cc2Br)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(CN1CCCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1cccc1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1)(C1CCN(CC1)C(=O)CCCc1ccc(cc1)C#N)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(Cl)cc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1cccc(F)c1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2COC2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccc(OC=O)cc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1C)(C1CCN(CC2CN(C2)c2ccc(Cl)cc2)CC1)c1cccc(F)c1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1C)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1C)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1cccc(F)c1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1C1(CN(C)Cc2ccccc12)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)CC1)c1cccc(F)c1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)CC1)c1cccc(F)c1 |r|
CNC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1 |r|
CNC(=O)[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
CNS(=O)(=O)N1CCN(CCn2c(cc3c(C)c(CN4CCC(CC4)Nc4ncnc5sc(CC(F)(F)F)cc45)ccc23)C#N)CC1
CNS(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3c(F)cccc23)C2CCCC2)C1
COC(=O)Cc1nc(cs1)C1CCCCC1
COC(=O)N[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
COC(=O)N[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccc(cc2)C(O)=O)CC1)c1ccccc1 |r|
COC(=O)N[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
COC(=O)N[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
COC(=O)N[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2(C)CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC3CCC2C3)CC1)c1ccccc1 |r,THB:28:31:35.34:37|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccc(cc2)C(N)=O)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccc(cc2)C(O)=O)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2Cl)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccccc2)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CCC#Cc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CCC#Cc2ccc(cc2)S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1C(Cn1ccnc1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CCCN(C2)C(=O)C=C)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CCN(C2)C(=O)C=C)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\C)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCCC2)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCCCC2)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCOCC2)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)\C=C\C)c2)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)\C=C\CN(C)C)c2)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)\C=C\CN3CCOCC3)c2)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CCCOc2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1C[C@H](C)N(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)[C@H](C)C1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(c1ccc(OCCOc2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)cc1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1 |r|
COC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(c1ccc(OCCOc2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)cc1)c1cccc(F)c1 |r|
COC(=O)[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
COC(=O)[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
COCC(C1CC1)C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
COCCCN1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1
COCC[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccnc(C)c2)CC1)c1ccccc1 |r|
COCC[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccnc(C)c2)CC1)c1ccccc1 |r|
COC[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
COC[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1 |r|
CO[C@@H]1CCC[C@@H]1C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CO[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1 |r|
CO[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CO[C@@H]1CCC[C@H]1C1(CN(C)Cc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1 |r|
CO[C@@H]1CCC[C@H]1C1(CN(Cc2ccccc12)C(=O)OC)C1CCN(CCCOc2ccc(cc2)C#N)CC1 |r|
CO[C@@H]1CCC[C@H]1C1(CNCc2ccccc12)C1CCN(CCCOc2ccc(cc2)C(O)=O)CC1 |r|
CO[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1 |r|
CO[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
CO[C@H]1CCC[C@@H]1C1(CN(C)Cc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1 |r|
CO[C@H]1CCC[C@@H]1C1(CN(Cc2ccccc12)C(=O)OC)C1CCN(CCCOc2ccc(cc2)C#N)CC1 |r|
CO[C@H]1CCC[C@@H]1C1(CNCc2ccccc12)C1CCN(CCCOc2ccc(cc2)C(O)=O)CC1 |r|
CO[C@H]1CCC[C@H]1C(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
COc1cc(cc(OC)c1OC)C1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 |c:23|
COc1ccc(CN2CCCN(CC2)c2ncnc3sc(C)c(C)c23)cc1
COc1ccc(cc1)-c1csc(CC(N)=O)n1
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccnc1)C(C)=O |c:13|
COc1ccc(cc1Br)-c1csc(CC(N)=O)n1
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccc1C |c:15|
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccnc1 |c:15|
CS(=O)(=O)CCC(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
CS(=O)(=O)CO[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CS(=O)(=O)CO[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CS(=O)(=O)C[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CS(=O)(=O)C[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CS(=O)(=O)N[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CS(=O)(=O)N[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CS(=O)(=O)[C@@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1 |r|
CS(=O)(=O)c1ccc(OCCCN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)cc1
CS(=O)(=O)c1ccc(OCCCN2CCC(CC2)C2(NCCc3ccccc23)C2CCCCC2)cc1
CS(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C(C#N)(C2CCC(=O)C2)c2ccccc2)C1
CS(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C(C#N)([C@@H]2CCC[C@H]2O)c2ccccc2)C1 |r|
CS(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C(C#N)([C@H]2CCC[C@@H]2O)c2ccccc2)C1 |r|
CS(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(C3CCCC3)C(=O)N(Cc3ccccc3)Cc3ccccc23)C1
CS(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
CSC[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
CSC[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21C2C=CC(O)=CC2Oc2cc(O)ccc12)C(N)=O |r,c:166,169|
C[C@H](NC(=O)O[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1)c1ccccc1 |r|
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r|
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)ON |r|
C[C@H]1CC(C[C@@H](C)N1CCCOc1ccc(cc1)C#N)C(C#N)(C1CCCC1)c1ccccc1 |r|
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2[nH]c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CC3CNC(=O)CO3)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCC3CCN(CC3)C=O)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCC3CCN(CC3)S(C)(=O)=O)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCC3CCN(CC3)S(N)(=O)=O)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCC3CCNCC3)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCC3CNC(=O)CO3)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCN(CC3)C(=O)C(F)(F)F)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCN(CC3)C(=O)C(F)F)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCN(CC3)C(=O)CC3CCCC3)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCN(CC3)C(=O)CCC3CCCC3)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCN(CC3)C(=O)CF)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCN(CC3)C=O)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCN(CC3)S(=O)(=O)C(F)(F)F)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCN(CC3)S(C)(=O)=O)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCN(CC3)S(N)(=O)=O)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCNCC3)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(CCN3CCOCC3)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(C[C@@H]3CNC(=O)CO3)c(cc12)C#N |r|
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(C[C@H]3CNC(=O)CO3)c(cc12)C#N |r|
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(Cc3cc[nH]n3)c(cc12)C#N
Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(Cc3cn[nH]c3)c(cc12)C#N
Cc1c(sc2ncnc(N3CCN(CC3)c3nccs3)c12)-c1ccccc1
Cc1cc(C)c(cc1C)-c1csc(CC(N)=O)n1
Cc1cc(ccc1N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1)C#N
Cc1ccccc1NC(=O)Cc1nc(cs1)-c1ccc(F)cc1
Cc1csc(n1)N1CCN(CC1)c1nc(C)nc2sc3CCCCc3c12
Cc1nccn1CC(C1CCCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1ccccc1
Cc1nccn1CC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
Cc1nn(nc1C(N)=O)-c1ccccc1
Cc1nnc(s1)N1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12
Cc1sc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1C
Clc1cc(ccc1N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1)C#N
Clc1ccc(cc1)-c1csc(CC(=O)NCc2ccccc2)n1
Cn1cc(cn1)S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C(CN2CCCC2)(C2=CCCC2)c2ccccc2)C1 |t:36|
Cn1cccc1S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc5[nH]c(cc5c4)C#N)CC3)ncnc2s1
FC(F)(F)Cc1cc2c(ncnc2s1)N1CCC2(CCN(Cc3ccc(CC#N)cc3)C2)C1
FC(F)(F)Cc1cc2c(ncnc2s1)N1CCC2(CCN(Cc3ccc(NC(=O)C=C)cc3)C2)C1
FC(F)(F)Cc1cc2c(ncnc2s1)N1CCN(CC1)c1nnc(s1)C(F)(F)F
FC(F)Cc1cc2c(ncnc2s1)N1CCC2(CCN(Cc3ccc(cc3)N3CCOCC3)C2)C1
FC(F)c1nnc(s1)N1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12
FC1(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)CN(C1)c1ccc(cc1)S(=O)(=O)C1CC1
FCC1(CF)CC(C1)N1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1
FCCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1
FCc1nnc(s1)N1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12
Fc1ccc(cc1)-c1csc(CC(=O)N2CCOCC2)n1
Fc1ccc(cc1)-c1csc2ncnc(N3CCN(CC3)c3nccs3)c12
Fc1ccc2CCNC(C3CCCC3)(C3CCN(CCCOc4ccc(cc4)C#N)CC3)c2c1
Fc1ccc2c(CCNC2(C2CCCC2)C2CCN(CCCOc3ccc(cc3)C#N)CC2)c1
Fc1cccc(c1)[C@@](C#N)([C@H]1CCC[C@@H]1NC(=O)C#C)C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1 |r|
Fc1cccc(c1)[C@@](C#N)([C@H]1CCC[C@@H]1NC(=O)C=C)C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1 |r|
Fc1cccc(c1)[C@@](C#N)([C@H]1CCC[C@@H]1NC(=O)CCl)C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1 |r|
Fc1cccc(c1)[C@@](C#N)([C@H]1CCC[C@@H]1NC(=O)CCl)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1 |r|
Fc1cccc(c1)[C@@](C#N)([C@H]1CCC[C@@H]1NS(=O)(=O)C=C)C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1 |r|
Fc1cccc2c1CCNC2(C1CCCC1)C1CCN(CCCOc2ccc(cc2)C#N)CC1
N#Cc1cc2cc(CCN3CCC(CC3)C3(NCCc4ccccc34)C3CCCC3)ccc2[nH]1
N#Cc1cc2cc(CN3CCC(CC3)C3(NCCc4ccccc34)C3CCCC3)ccc2[nH]1
N#Cc1cc2cc(CN3CCC(CC4(NCCc5ccccc45)C4CCCC4)CC3)ccc2[nH]1
N#Cc1ccc(NCCCN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)cc1
N#Cc1ccc(NCCCN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)cn1
N#Cc1ccc(OC2C[C@@H](C2)N2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)cc1 |r,wD:9.11,(-10.01,-2.23,;-8.47,-2.23,;-6.93,-2.23,;-6.1,-.9,;-4.56,-.9,;-3.79,-2.23,;-2.25,-2.23,;-.77,-1.84,;0,-.5,;1.34,-1.27,;.57,-2.61,;2.82,-.87,;3.91,-1.96,;5.4,-1.56,;5.8,-.08,;4.71,1.01,;3.22,.61,;7.29,.32,;8.62,1.09,;9.95,.32,;9.95,-1.22,;8.62,-1.99,;8.62,-3.53,;7.29,-4.3,;5.95,-3.53,;5.95,-1.99,;7.29,-1.22,;6.89,1.81,;7.86,3.01,;7.02,4.3,;5.53,3.9,;5.45,2.36,;-4.56,-3.57,;-6.1,-3.57,)|
N#Cc1ccc(OCCCCN2CC(C2)C2(NCCc3ccccc23)C2CCCC2)cc1
N#Cc1ccc(OCCCCN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)cc1
N#Cc1ccc(OCCCN2CCC(=CC2)C2(NCCc3ccccc23)C2CCCC2)cc1 |c:13|
N#Cc1ccc(OCCCN2CCC(C2)C2(NCCc3ccccc23)C2CCCC2)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C(C#N)(C2CCCC2)c2ccccc2)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C(C#N)(C2CCCCC2)c2ccccc2)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C(Cc2ccncc2)(C#N)c2ccccc2)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C(c2ccccc2)c2ccccc2)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C2(CC3CCCCC3)NCCc3ccccc23)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C2(CNCc3ccccc23)C2CCCC2)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C2(COCc3ccccc23)C2CCCC2)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C2(Cc3ccccc3)NCCc3ccccc23)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C2(NCCc3ccccc23)C2CCC2)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C2(NCCc3ccccc23)C2CCCCC2)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C2(NCCc3ccccc23)C2CCc3ccccc23)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C2(NCCc3ccccc23)c2ccccc2)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C2(NCCc3sccc23)C2CCCC2)cc1
N#Cc1ccc(OCCCN2CCC(CC2)C2NCCc3ccccc23)cc1
N#Cc1ccc(OCCCN2CCC(CC3(NCCc4ccccc34)C3CCCC3)CC2)cc1
N#Cc1ccc(OCCN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)cc1
N#Cc1ccc(OCCN2CCC(CC3(NCCc4ccccc34)C3CCCC3)CC2)cc1
N#Cc1ccc(cc1)-c1ccc(cc1)N1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1
N#Cc1ccc(cc1)N1CC(CN2CCC(CC2)C(C#N)(C2CCCC2)c2ccccc2)C1
N#Cc1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(Cc3ccccc23)C2COC2)C2CCCC2)C1
N#Cc1ccc(cc1)N1CC(CN2CCC(CC2)C2(CNCc3ccccc23)C2CCCC2)C1
N#Cc1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
N#Cc1ccc(cc1)N1CCC(CC1)N1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1
N#Cc1ccc(cc1)N1CCC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
N#Cc1ccc(cc1)N1CCCC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
N#Cc1ccc(cn1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
N#Cc1ccc(nc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
N#Cc1ccc2[nH]c(CCN3CCC(CC3)C3(NCCc4ccccc34)C3CCCC3)cc2c1
NC(=O)Cc1nc(cs1)-c1ccc(F)cc1
NC(=O)Cc1nc(cs1)-c1cccc(Cl)c1
NC(=O)Cc1nc(cs1)-c1ccccc1
NC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
NC(=O)O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
NC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccccc2)CC1)c1ccccc1 |r|
NC(=O)O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
NC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
NCC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
NCC(CCN1CCC(=CC1)c1ccc(Cl)cc1)(C1CCCC1)c1ccccc1 |c:8|
NCC1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@@H](N)[C@H](O)[C@H]1O |r|
NS(=O)(=O)Cc1ccc(CN2CCC3(CCN(C3)c3ncnc4cc(CC(F)(F)F)sc34)C2)cc1
NS(=O)(=O)Cc1ccc(CN2CCC3(CCN(C3)c3ncnc4sc(CC(F)(F)F)cc34)C2)cc1
NS(=O)(=O)c1ccc(OCCCN2CCC(CC2)C(O)(C2CCCC2)c2ccccn2)cc1
NS(=O)(=O)c1ccc(OCCCN2CCC(CC2)C(O)(c2cccc(F)c2)c2ccccn2)cc1
N[C@@](C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
N[C@](C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
Nc1cccc(c1)-c1cccnc1
O=C(C1CN(C1)c1ccc(cc1)C#N)N1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1
O=C(CC(C#N)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1)N1CCCC1
O=C(CN1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1)N1CCCC1
O=C(CN1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1)N1CCc2cc(ccc2C1)C#N
O=C(CN1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1)N1CCc2ccccc2C1
O=C(CN1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1)N1Cc2ccccc2C1
O=C(Cc1ccc(cc1)S(=O)(=O)C1CC1)N1CCc2cc(ccc2C1)C1(NCCc2ccccc12)C1CCCC1
O=C(N1CCC(CC1)C1(NCCc2ccccc12)C1CCCC1)c1ccn(c1)-c1ccc(cc1)S(=O)(=O)C1CC1
O=C(N1CCC(CC2(NCCc3ccccc23)C2CCCC2)CC1)c1ccc2cc([nH]c2c1)C#N
O=C(N[C@H]1CC[C@@H](CC1)C1(NCCc2ccccc12)C1CCCC1)c1ccc2[nH]c(cc2c1)C#N |r,wU:6.9,wD:3.2,(.31,1.3,;-.09,-.18,;1,-1.27,;2.49,-.87,;3.58,-1.96,;5.06,-1.56,;5.46,-.08,;4.37,1.01,;2.89,.61,;6.95,.32,;8.28,1.09,;9.62,.32,;9.62,-1.22,;8.28,-1.99,;8.28,-3.53,;6.95,-4.3,;5.62,-3.53,;5.62,-1.99,;6.95,-1.22,;6.55,1.81,;7.52,3.01,;6.68,4.3,;5.19,3.9,;5.11,2.36,;-1.58,-.58,;-1.98,-2.07,;-3.46,-2.47,;-4.55,-1.38,;-6.09,-1.46,;-6.64,-.02,;-5.45,.95,;-4.15,.11,;-2.67,.51,;-8.13,.38,;-9.62,.78,)|
O=C(N[C@H]1CC[C@@H](CC1)C1(NCCc2ccccc12)C1CCCC1)c1ccc2cc([nH]c2c1)C#N |r,wU:6.9,wD:3.2,(.31,1.3,;-.09,-.18,;1,-1.27,;2.49,-.87,;3.58,-1.96,;5.06,-1.56,;5.46,-.08,;4.37,1.01,;2.89,.61,;6.95,.32,;8.28,1.09,;9.62,.32,;9.62,-1.22,;8.28,-1.99,;8.28,-3.53,;6.95,-4.3,;5.62,-3.53,;5.62,-1.99,;6.95,-1.22,;6.55,1.81,;7.52,3.01,;6.68,4.3,;5.19,3.9,;5.11,2.36,;-1.58,-.58,;-1.98,-2.07,;-3.46,-2.47,;-4.55,-1.38,;-6.09,-1.46,;-6.64,-.02,;-5.45,.95,;-4.15,.11,;-2.67,.51,;-8.13,.38,;-9.62,.78,)|
O=C(O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1)C1CC1 |r|
O=C(O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1)C1CCC1 |r|
O=C(O[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1)N1CCC1 |r|
O=C(O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1)C1CC1 |r|
O=C(O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1)C1CCC1 |r|
O=C(O[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1)N1CCC1 |r|
O=C1CC(CC2=C1C(Nc1ccccc1N2)c1cccnc1)c1ccc2OCOc2c1 |c:5|
O=C1CC(CC2=C1C(Nc1ccccc1N2)c1ccncc1)c1ccc2OCOc2c1 |c:5|
O=C1NCC(C2CCCC2)(C2CCN(CCCOc3ccc(cc3)C#N)CC2)c2ccccc12
O=C1NCc2ccccc2C1(C1CCCC1)C1CCN(CCCOc2ccc(cc2)C#N)CC1
O=S(=O)(C1CC1)c1ccc(CCN2CCc3cc(ccc3C2)C2(NCCc3ccccc23)C2CCCC2)cc1
O=S(=O)(C1CC1)c1ccc(OC2C[C@@H](C2)N2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)cc1 |r,wD:13.16,(-7.73,-3.72,;-8.13,-2.23,;-9.62,-2.63,;-8.9,-.9,;-8.9,.64,;-10.24,-.13,;-6.59,-2.23,;-5.82,-.9,;-4.28,-.9,;-3.51,-2.23,;-1.97,-2.23,;-.48,-1.84,;.29,-.5,;1.62,-1.27,;.85,-2.61,;3.11,-.87,;4.2,-1.96,;5.68,-1.56,;6.08,-.08,;4.99,1.01,;3.5,.61,;7.57,.32,;8.9,1.09,;10.24,.32,;10.24,-1.22,;8.9,-1.99,;8.9,-3.53,;7.57,-4.3,;6.24,-3.53,;6.24,-1.99,;7.57,-1.22,;7.17,1.81,;8.14,3.01,;7.3,4.3,;5.81,3.9,;5.73,2.36,;-4.28,-3.57,;-5.82,-3.57,)|
O=S(=O)(C1CC1)c1ccc(O[C@H]2C[C@H](C2)N2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)cc1 |r,wD:13.16,11.11,(-7.73,-3.72,;-8.13,-2.23,;-9.62,-2.63,;-8.9,-.9,;-8.9,.64,;-10.24,-.13,;-6.59,-2.23,;-5.82,-.9,;-4.28,-.9,;-3.51,-2.23,;-1.97,-2.23,;-.48,-1.84,;.85,-2.61,;1.62,-1.27,;.29,-.5,;3.11,-.87,;4.2,-1.96,;5.68,-1.56,;6.08,-.08,;4.99,1.01,;3.5,.61,;7.57,.32,;8.9,1.09,;10.24,.32,;10.24,-1.22,;8.9,-1.99,;8.9,-3.53,;7.57,-4.3,;6.24,-3.53,;6.24,-1.99,;7.57,-1.22,;7.17,1.81,;8.14,3.01,;7.3,4.3,;5.81,3.9,;5.73,2.36,;-4.28,-3.57,;-5.82,-3.57,)|
O=S(=O)(C1CC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(COCc3ccccc23)C2CCCC2)C1
O=S(=O)(C1CC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
O=S(=O)(C1CCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
O=S(=O)(C1CCCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
O=S(=O)(C1CCCCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
O=S(=O)(C1CCOCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
O=S(=O)(CC1CCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
O=S(=O)(CC1CCCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
O=S(=O)(CC1CCCCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
O=S(=O)(c1ccccc1)c1ccc(OCCCN2CCC(CC2)C(C#N)(C2CCCC2)c2ccccc2)cc1
O=S(=O)(c1ccccc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C(CN2CCCC2)(C2=CCCC2)c2ccccc2)C1 |t:36|
O=S(=O)(c1ccccc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C(CN2CCCC2)([C@@H]2CCC=C2)c2ccccc2)C1 |r,c:39|
O=S(=O)(c1ccccc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C(C#N)(C2CCCC2)c2ccccc2)C1
O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C(Cc2ccncc2)(C#N)c2ccccc2)C1
O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(CC3CC3)Cc3ccccc23)C2CCCC2)C1
O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(CC3COC3)Cc3ccccc23)C2CCCC2)C1
O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(CCN3CCOCC3)Cc3ccccc23)C2CCCC2)C1
O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(Cc3ccccc23)C2CCC2)C2CCCC2)C1
O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(Cc3ccncc3)Cc3ccccc23)C2CCCC2)C1
O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CNCc3ccccc23)C2CCCC2)C1
O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1
O=S1(=O)CCCC1C1(NCCc2ccccc12)C1CCN(CCCOc2ccc(cc2)C#N)CC1
OC(C1CC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
OC(C1CCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
OC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1cc(F)cc(F)c1
OC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1cccc(Cl)c1
OC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1cccc(F)c1
OC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
OC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccn1
OC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1nccs1
OC(C1CCCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
OC(C1CCN(CCCOc2ccc(cc2)C#N)CC1)(c1cccc(F)c1)c1ccccn1
OC(C1CCN(CCCOc2ccc(cc2)C#N)CC1)(c1ccccc1)c1ccccc1
OC(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
OC(C1CCN(CCCOc2ccccc2)CC1)(c1ccccc1)c1ccccc1
OC(COc1ccc(cc1)C#N)CN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
OC(COc1ccc(cc1)C#N)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
OCC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1
OCCNS(=O)(=O)Cc1ccc(CN2CCC3(CCN(C3)c3ncnc4sc(CC(F)(F)F)cc34)C2)cc1
OCC[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
OC[C@@H]1CCC[C@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
OC[C@H]1CCC[C@@H]1C(C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1)c1ccccc1 |r|
OCc1ccc(cc1)-c1ccncc1
O[C@@](C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
O[C@@](C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccn1 |r|
O[C@@](C1CCN(CCCOc2ccc(cc2)C#N)CC1)(c1cccc(F)c1)c1ccccn1 |r|
O[C@](C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r|
O[C@](C1CCN(CCCOc2ccc(cc2)C#N)CC1)(c1cccc(F)c1)c1ccccn1 |r|
Oc1cc2n(Cc3cn[nH]c3)c(cc2cc1CN1CCC(CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)C#N
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN(C)C)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN(C)C)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC(C)(O)CC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2(C)CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2(CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)C(=O)OC)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2(CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)OC)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2(CN(C2)c2ccc(cc2)S(=O)(=O)C2CCN(CC2)C(=O)C=C)OC)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2(CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)OC)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2(CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)OC)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2(CN(C2)c2ccc(cc2)S(=O)(=O)[C@@H]2CCCN(C2)C(=O)C=C)OC)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2(CN(C2)c2ccc(cc2)S(=O)(=O)[C@H]2CCCN(C2)C(=O)C=C)OC)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2(O)CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CC(F)(F)C2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CC(F)C2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCC(F)(F)CC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCC(F)CC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCCC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCCCC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCCCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCOCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](Cn1ccnc1CC)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](Cn1ccnn1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r|
[H][C@@]1(CCC[C@@H]1NC(C)=O)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
[H][C@@]1(CCC[C@@H]1OC(=O)CC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
[H][C@@]1(CCC[C@@H]1OC(=O)CCC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
[H][C@@]1(CCC[C@@H]1OC(=O)NC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
[H][C@@]1(CCC[C@@H]1OC(=O)NC)[C@@]1(CN(C)Cc2ccccc12)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 |r|
[H][C@@]1(CCC[C@@H]1OC(C)=O)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
[H][C@@]1(CCC[C@@H]1OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
[H][C@@]1(CCC[C@@H]1OCC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C(C)(C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCCCCCCCNC2=O)NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCCOCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cccc(C)c1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cccc(CC(C)C)c1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cccc(CC)c1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cccc(c1)-c1ccccc1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cccc(c1)C(F)(F)F)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1Cl)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1F)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCCCCCNC2=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCCCCNC2=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCCCNC2=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCCCNC2=O)NC(C)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCNC2=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCNC2=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC2=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r|
[H][C@@]12CN(CC(O)CCCc3ccccc3)C[C@@]([H])(C1)n1c(C2)cccc1=O |THB:26:20:2.3.16:19,4:3:19:20.21.22|
[H][C@@]12CN([C@@]([H])(CN1C(=O)C=C)C2)S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)[C@@](CN2CCC2)(c2cccc(F)c2)[C@@]2([H])CCC[C@@H]2NC(=O)OC)(C1)OC |r|
[H][C@]1(CCC[C@H]1OC(C)=O)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
[H][C@]1(CCC[C@H]1OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
[H][C@]12CN([C@]([H])(CN1C(=O)C=C)C2)S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)[C@@](CN2CCC2)(c2cccc(F)c2)[C@@]2([H])CCC[C@@H]2NC(=O)OC)(C1)OC |r|
[H][C@]12CN([C@]([H])(CN1C(=O)CC)C2)S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)[C@@](CN2CCC2)(c2cccc(F)c2)[C@@]2([H])CCC[C@@H]2NC(=O)OC)(C1)OC |r|
[H][N]1([#6])[#6]-[#6]-[#6]-[#7](-[#6]-[#6]1)-c1ncnc2sccc12
[H][N]1([H])[#6]-[#6]-[#7](-[#6]-[#6]1)-c1ncnc2sc3-[#6]-[#6]-[#6]-[#6]-c3c12