307 SMILES Strings for Ghrelin O-acyltransferase
Compound Name
SMILES String
BrC1=CCCCC1=O |t:1|
CC(C)C(=O)c1nc(Cc2c(C)nc3nonc3c2N)ccc1C(F)(F)F
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:15|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(CCCCc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(CCCc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(CCc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(Cc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O |r|
CC(C)NC(=O)c1cc(Cc2c(C)nc3ncnn3c2N)ccc1OC(F)(F)F
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(=O)n1ccnc1 |t:17,21|
CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]3(C)CC[C@H]2C(C)(C)C(=O)C(=C[C@]12C)C#N)C(=O)NCC(F)(F)F |r,c:17,30|
CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 |r,t:8|
CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CN)CC(C)C |r|
CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CN)CC(C)C |r|
CCCCCCCC(=O)OC[C@H](OC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CCCCCCCCN(C(CNCc1ccccc1)c1ccc2cc(O)ccc2c1)C(C)=O
CCCCCCC[C@H](O)\C=C\[C@H](NC(=O)OCc1ccccc1)C(=O)OC |r|
CCCCCCC[C@](C)(O)\C=C\[C@H](NC(=O)OCc1ccccc1)C(=O)OC |r|
CCCCCCN(C(CNCc1ccccc1)c1ccc2cc(O)ccc2c1)C(C)=O
CCCC[C@H]1C[C@@H](C1)C(=O)NC[C@H]1CCCN1C(=O)[C@@H](NC(=S)CNC)C(C)(C)C |r,wU:12.12,6.8,wD:19.27,4.3,(17.81,-5.97,;17.5,-7.47,;18.64,-8.5,;20.11,-8.02,;21.25,-9.05,;21.33,-10.59,;22.86,-10.5,;22.79,-8.97,;24.01,-11.53,;25.48,-11.05,;23.69,-13.04,;24.84,-14.07,;24.52,-15.57,;25.55,-16.72,;24.78,-18.05,;23.28,-17.73,;23.11,-16.21,;21.77,-15.44,;21.77,-13.9,;20.44,-16.21,;19.11,-15.44,;17.77,-16.21,;17.77,-17.75,;16.44,-15.44,;15.1,-16.21,;13.77,-15.44,;20.44,-17.75,;19.11,-18.52,;21.77,-18.52,;20.42,-19.28,)|
CCNC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:17,21|
CCOc1cc(ccc1Cc1c(C)nc2ncnn2c1N)C(F)(F)F
CCOc1nc(ccc1Cc1c(C)nc2ncnn2c1N)C(F)(F)F
CN(C)C(=O)c1cc(Cc2c(C)nc3ncnn3c2N)ccc1OC(F)(F)F
CN(C)C(=O)c1cccc(Cc2c(C)nc3nonc3c2N)n1
CN(C)\C=N\c1c(I)c(C)nc2nonc12
CN(C)\C=N\c1nc(Cc2c(C)nc3nonc3c2N)ncc1C#N
CNC(=O)c1cccc(Cc2c(C)nc3nonc3c2N)n1
COC(=O)Cc1ccc(Cc2c(C)nc3nonc3c2N)nc1
COC(=O)N[C@@H](C)C(=O)N1CCC(CCc2c(C)nc(nc2N)C(F)(F)F)CC1 |r|
COC(=O)N[C@@H](C)C(=O)N1CCC(CCc2c(N)nc(C)nc2Cl)CC1 |r|
COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:16,20|
COC(=O)c1cc(Cc2c(C)nc3ncnn3c2N)ccc1C(F)(F)F
COC(=O)c1cc(Cc2c(C)nc3ncnn3c2N)ccc1OC(F)(F)F
COc1cc(Cc2c(C)nc3ncnn3c2N)ccc1C(F)(F)F
COc1cc(Cc2c(N)n3ncnc3nc2Cl)ccc1C(F)(F)F
COc1cc(ccc1Cc1c(C)nc2ncnn2c1N)C(F)(F)F
COc1cc(ccc1Cc1c(C)nc2nonc2c1N)C(F)(F)F
COc1cc(ccc1Cc1c(N)n2ncnc2nc1Cl)C(F)(F)F
COc1ccc(Cc2c(C)nc3nonc3c2N)nc1
COc1ccccc1C(=O)N[C@@H](C)C(=O)N1CCC(CCc2c(C)nc(nc2N)C(F)(F)F)CC1 |r|
COc1nc(Cc2c(C)nc3nonc3c2N)ccc1Br
COc1nc(ccc1Cc1c(C)nc2ncnn2c1N)C(F)(F)F
CSc1ccc(Cc2c(C)nc3nonc3c2N)nc1
CSc1cccc(Cc2c(C)nc3nonc3c2N)n1
CSc1nc(Cc2c(C)nc3nonc3c2N)ccc1Br
C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CN)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O |r|
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)C(=C[C@]3(C)[C@H]1CC2)C#N |r,c:14|
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)C(Br)=C[C@]3(C)[C@H]1CC2 |r,c:15|
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)C=C[C@]3(C)[C@H]1CC2 |r,c:14|
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)CC[C@]3(C)[C@H]1CC2 |r|
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)[C@H](Br)C[C@]3(C)[C@H]1CC2 |r|
C[C@H](NC(=O)C1CC1)C(=O)N1CCC(CCc2c(N)nc(N)nc2Cl)CC1 |r|
C[C@H](NC(=O)CO)C(=O)N1CCC(CCc2c(C)nc(nc2N)C(F)(F)F)CC1 |r|
C[C@H](NC(=O)c1ccn(C)n1)C(=O)N1CCC(CCc2c(N)nc(N)nc2Cl)CC1 |r|
C[C@H](NC(=O)c1ccncc1)C(=O)N1CCCC(CCc2c(N)nc(C)nc2Cl)CC1 |r|
C[C@H](NC(=O)c1ccnn1C)C(=O)N1CCC(CCc2c(C)nc(nc2N)C(F)(F)F)CC1 |r|
C[C@H](NC(=O)c1ccnn1C)C(=O)N1CCC(CCc2c(N)nc(C)nc2Cl)CC1 |r|
C[C@H](NC(=O)c1cn[nH]c1C)C(=O)N1CCC(CCc2c(C)nc(Cl)nc2N)CC1 |r|
C[C@H](NC(=O)c1cnc(C)s1)C(=O)N1CCC(CCc2c(N)nc(C)nc2Cl)CC1 |r|
C[C@H](NC(=O)c1nccnc1Cl)C(=O)N1CCC(CCc2c(C)nc(nc2N)C(F)(F)F)CC1 |r|
C[C@H](NC(C)=O)C(=O)N1CCC(CCc2c(N)nc(C)nc2Cl)CC1 |r|
Cc1ccc2[C@@H](CCc2n1)Oc1cc(Cl)c2c(CC(O)=O)csc2c1 |r|
Cc1ccc2[C@H](CCc2n1)Oc1cc(Cl)c2c(CC(O)=O)csc2c1 |r|
Cc1cccc(Cc2c(C)nc3nonc3c2N)n1
Cc1cnn(C)c1-c1ccc(Cc2c(C)nc3nonc3c2N)nc1N |(6.53,.81,;6.13,-.68,;7.04,-1.93,;6.13,-3.17,;4.67,-2.69,;3.33,-3.47,;4.67,-1.15,;3.33,-.38,;2,-1.15,;.67,-.38,;.67,1.15,;-.67,1.93,;-2,1.15,;-2,-.38,;-.67,-1.15,;-3.33,-1.15,;-4.67,-.38,;-6.13,-.86,;-7.04,.38,;-6.13,1.63,;-4.67,1.15,;-3.33,1.93,;-3.33,3.47,;2,1.93,;3.33,1.15,;4.67,1.93,)|
Cc1nc(Cc2c(C)nc3nonc3c2N)ncc1C#N
Cc1nc(ccc1COc1cc(Cl)c2cc(CC(O)=O)sc2c1Cl)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(-c2c[nH]nc2C(F)(F)F)c(N)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(NCC(F)(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OC(F)F)c1
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OC(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OCC(C)(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OCC(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OCCCF)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OCCF)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(c1)C(=O)OCC(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(n1)-n1cc(F)cn1
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(n1)-n1cc(cn1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(n1)-n1ccc(n1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(n1)C1(CC(F)(F)C1)C#N
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(n1)N1CC(C1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(n1)N1CC(F)(F)C1
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(n1)N1CCC(C1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(n1)N1CCC(F)(F)C1
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(n1)N1CCC(F)(F)CC1
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(n1)N1CCC(O)(C1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(n1)N1Cc2ccc(F)cc2C1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(NC2CC(F)(F)C2)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(NCC(F)(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(NCC(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(NCC2CC2(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(NCCC(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(NCCCF)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(NCCF)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OC(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OCC(C)(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OCC(F)(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OCC(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OCC2(CC2)C(F)(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OCCCF)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OCCF)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(OC(F)(F)F)c(Br)c1
Cc1nc2ncnn2c(N)c1Cc1ccc(OC(F)(F)F)c(c1)C#N
Cc1nc2ncnn2c(N)c1Cc1ccc(OC(F)(F)F)c(c1)C(N)=O
Cc1nc2ncnn2c(N)c1Cc1ccc(OC(F)(F)F)c(c1)N=S(C)(C)=O
Cc1nc2ncnn2c(N)c1Cc1ccc(OC(F)(F)F)c(c1)N=S1(=O)CCC1
Cc1nc2ncnn2c(N)c1Cc1ccc(OC(F)(F)F)cc1
Cc1nc2ncnn2c(N)c1Cc1ccc(OC(F)F)c(Br)n1
Cc1nc2ncnn2c(N)c1Cc1ccc(OC(F)F)c(n1)C#N
Cc1nc2ncnn2c(N)c1Cc1ccc(OC(F)F)cc1
Cc1nc2ncnn2c(N)c1Cc1ccc(SC(F)(F)F)cc1
Cc1nc2ncnn2c(N)c1Cc1ccc(c(Br)c1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(c(N)n1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(c(c1)-c1ccn[nH]1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(c(n1)-c1ccco1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(c(n1)C#N)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(c(n1)N1CC(F)(F)C1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(c(n1)N1CCOCC1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(cc1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(cc1)C(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(cc1)S(=O)(=O)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(cc1)S(=O)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(cc1Br)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1ccc(nc1OC1CCC1)C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1cccc(OC(F)F)n1
Cc1nc2ncnn2c(N)c1Cc1cccc(n1)-c1c[nH]nc1C(F)(F)F
Cc1nc2ncnn2c(N)c1Cc1cccc(n1)-c1cn(C)nc1C(F)(F)F
Cc1nc2nonc2c(N)c1CN1CCC(CC1)OC(F)(F)F
Cc1nc2nonc2c(N)c1Cc1cc(C#N)c(Br)cn1
Cc1nc2nonc2c(N)c1Cc1cc(C#N)c(cn1)C#N
Cc1nc2nonc2c(N)c1Cc1cc(C#N)c(cn1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1cc(C#N)c(cn1)C1CC1
Cc1nc2nonc2c(N)c1Cc1cc(Cl)c(cn1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1cc(Cl)cc(n1)C#N
Cc1nc2nonc2c(N)c1Cc1cc(c(Br)cn1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1cc(c(cn1)C#N)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1cc(cc(n1)C#N)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1cc(ccn1)C#N
Cc1nc2nonc2c(N)c1Cc1cc(ccn1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1cc(ccn1)C(N)=O
Cc1nc2nonc2c(N)c1Cc1ccc(-c2cncs2)c(N)n1
Cc1nc2nonc2c(N)c1Cc1ccc(-c2cnn3CCCc23)c(N)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(=O)[nH]1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(Br)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(Cl)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(NC2CC(F)(F)C2)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(NC2CC2)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(NCC(C)(C)C#N)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(NCC(C)(C)C(N)=O)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(NCC2(C)CCOC2)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(NCC2(C)COC2)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(NCCC(F)(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(NCCC(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(OC(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(OC2COC2)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(OCC(C)(C)O)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(OCC(C)(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(OCC(F)(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(OCC(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(OCC2(C)COC2)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(OCC2CC2(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(OCCC(F)(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(OCCCF)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(OCCF)n1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(n1)N1CC(C)(O)C1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(n1)N1CC(F)(F)C1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(n1)N1CC2(COC2)C1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(n1)N1CCC(F)(F)C1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(n1)N1CCNC(=O)CC1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(n1)N1CCOCC1
Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(n1)S(C)(=O)=O
Cc1nc2nonc2c(N)c1Cc1ccc(Br)cn1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(=O)[nH]1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(Cl)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NC2CC(F)(F)C2)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NC2CC2)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NCC(C)(C)C#N)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NCC(C)(C)C(N)=O)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NCC2(C)CCOC2)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NCC2(C)COC2)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NCCC(F)(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NCCC(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NCCCF)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(OC(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(OC2COC2)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(OCC(C)(C)O)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(OCC(C)(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(OCC(F)(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(OCC(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(OCC2(C)COC2)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(OCC2CC2(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(OCCC(F)(F)F)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(OCCCF)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(OCCF)n1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(n1)C1CC1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(n1)N1CC(C)(O)C1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(n1)N1CC(F)(F)C1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(n1)N1CC2(COC2)C1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(n1)N1CCC(F)(F)C1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(n1)N1CCNC(=O)CC1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(n1)N1CCOCC1
Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(n1)S(C)(=O)=O
Cc1nc2nonc2c(N)c1Cc1ccc(C(F)F)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(C2CC2)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(Cl)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(Cl)cn1
Cc1nc2nonc2c(N)c1Cc1ccc(F)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(F)cn1
Cc1nc2nonc2c(N)c1Cc1ccc(N2CC(F)(F)C2)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(N2CCC(F)(F)C2)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(N2CCOCC2)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(NCC(F)F)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(NCCF)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(OC(F)(F)F)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(OC(F)(F)F)cn1
Cc1nc2nonc2c(N)c1Cc1ccc(OC(F)F)c(=O)[nH]1
Cc1nc2nonc2c(N)c1Cc1ccc(OC(F)F)c(Br)n1
Cc1nc2nonc2c(N)c1Cc1ccc(OC(F)F)c(N)n1
Cc1nc2nonc2c(N)c1Cc1ccc(OC(F)F)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(OC(F)F)c(n1)C(N)=O
Cc1nc2nonc2c(N)c1Cc1ccc(OC(F)F)cn1
Cc1nc2nonc2c(N)c1Cc1ccc(OC2CC2)cn1
Cc1nc2nonc2c(N)c1Cc1ccc(OCC(F)(F)F)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(OCC(F)F)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(OCCF)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(Oc2ccccc2)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(Oc2ccnn2C)c(n1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(c(N)n1)-c1cnccn1
Cc1nc2nonc2c(N)c1Cc1ccc(c(O)n1)S(C)(=O)=O
Cc1nc2nonc2c(N)c1Cc1ccc(c(n1)C#N)-n1cc(F)cn1
Cc1nc2nonc2c(N)c1Cc1ccc(c(n1)C#N)-n1ccc(n1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1ccc(c(n1)C#N)-n1cccn1
Cc1nc2nonc2c(N)c1Cc1ccc(c(n1)C#N)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1ccc(c(n1)C(N)=O)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1ccc(c(n1)S(C)(=O)=O)S(C)(=O)=O
Cc1nc2nonc2c(N)c1Cc1ccc(cn1)C#N
Cc1nc2nonc2c(N)c1Cc1ccc(cn1)C(C)(F)F
Cc1nc2nonc2c(N)c1Cc1ccc(cn1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1ccc(cn1)C(F)F
Cc1nc2nonc2c(N)c1Cc1ccc(cn1)C1CC1
Cc1nc2nonc2c(N)c1Cc1ccc(cn1)S(C)(=O)=O
Cc1nc2nonc2c(N)c1Cc1ccc(cn1)S(C)=O
Cc1nc2nonc2c(N)c1Cc1ccc2OCCOc2n1
Cc1nc2nonc2c(N)c1Cc1cccc(Br)n1
Cc1nc2nonc2c(N)c1Cc1cccc(Cl)n1
Cc1nc2nonc2c(N)c1Cc1cccc(F)n1
Cc1nc2nonc2c(N)c1Cc1cccc(n1)-c1c[nH]nc1C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1cccc(n1)-c1ccco1
Cc1nc2nonc2c(N)c1Cc1cccc(n1)-c1cn(C)nc1C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1cccc(n1)-c1cncn1C
Cc1nc2nonc2c(N)c1Cc1cccc(n1)C(C)(C)C#N
Cc1nc2nonc2c(N)c1Cc1cccc(n1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1cccc(n1)C(N)=O
Cc1nc2nonc2c(N)c1Cc1cccc(n1)C1(CCCC1)C#N
Cc1nc2nonc2c(N)c1Cc1cccc(n1)S(C)(=O)=O
Cc1nc2nonc2c(N)c1Cc1cccc(n1)S(C)=O
Cc1nc2nonc2c(N)c1Cc1ccccn1
Cc1nc2nonc2c(N)c1Cc1nc(C(F)F)c(Cl)c(n1)C(F)F
Cc1nc2nonc2c(N)c1Cc1nc(cc(n1)C(F)F)C#N
Cc1nc2nonc2c(N)c1Cc1ncc(Br)c(n1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1ncc(Br)c(n1)C(F)F
Cc1nc2nonc2c(N)c1Cc1ncc(Br)cn1
Cc1nc2nonc2c(N)c1Cc1ncc(C#N)c(n1)C(C)(F)F
Cc1nc2nonc2c(N)c1Cc1ncc(C#N)c(n1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1ncc(C#N)c(n1)C(F)F
Cc1nc2nonc2c(N)c1Cc1ncc(C#N)c(n1)C1CCOC1
Cc1nc2nonc2c(N)c1Cc1ncc(Cl)c(n1)C(F)F
Cc1nc2nonc2c(N)c1Cc1ncc(Cl)cn1
Cc1nc2nonc2c(N)c1Cc1ncc(c(Cl)n1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1ncc(c(N)n1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1ncc(c(n1)C#N)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1ncc(cn1)C#N
Cc1nc2nonc2c(N)c1Cc1ncc(cn1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cc1nccc(n1)C#N
Cc1nc2nonc2c(N)c1Cc1nccc(n1)C(F)(F)F
Cc1nc2nonc2c(N)c1Cn1ccc(n1)-c1cccc(n1)C(F)(F)F
Cc1noc(C)c1-c1ccc(Cc2c(C)nc3nonc3c2N)nc1N |(3.33,-3.47,;4.67,-2.69,;6.13,-3.17,;7.04,-1.93,;6.13,-.68,;6.53,.81,;4.67,-1.15,;3.33,-.38,;2,-1.15,;.67,-.38,;.67,1.15,;-.67,1.93,;-2,1.15,;-2,-.38,;-.67,-1.15,;-3.33,-1.15,;-4.67,-.38,;-6.13,-.86,;-7.04,.38,;-6.13,1.63,;-4.67,1.15,;-3.33,1.93,;-3.33,3.47,;2,1.93,;3.33,1.15,;4.67,1.93,)|
Cc1noc(C)c1-c1cccc(Cc2c(C)nc3nonc3c2N)n1
NC(=O)c1ccc2[C@@H](CCc2n1)Oc1cc(Cl)c2c(CC(O)=O)csc2c1 |r|
NC(=O)c1ccc2[C@H](CCc2n1)Oc1cc(Cl)c2c(CC(O)=O)csc2c1 |r|
Nc1c(Cc2ccc(cc2)C(F)(F)F)c(Cl)nc2ncnn12
Nc1c(Cc2ccc(cc2)C(F)(F)F)c(nc2ncnn12)C(F)F
O=C1CCCC=C1 |c:5|
O=C1CCCC=C1C#N |c:5|
OC(=O)Cc1csc2c(Cl)c(O[C@@H]3CCc4nc(Cl)ccc34)cc(Cl)c12 |r|
OC(=O)Cc1csc2c(Cl)c(O[C@@H]3CCc4nc(ccc34)C(F)(F)F)cc(Cl)c12 |r|
OC(=O)Cc1csc2c(Cl)c(O[C@@H]3COc4ncccc34)cc(Cl)c12 |r|
OC(=O)Cc1csc2c(Cl)c(O[C@H]3CCc4nc(Cl)ccc34)cc(Cl)c12 |r|
OC(=O)Cc1csc2c(Cl)c(O[C@H]3CCc4nc(ccc34)C(F)(F)F)cc(Cl)c12 |r|
OC(=O)Cc1csc2c(Cl)c(O[C@H]3COc4ncccc34)cc(Cl)c12 |r|
OC(=O)Cc1csc2c(F)c(O[C@@H]3COc4nc(ccc34)C(F)(F)F)cc(Cl)c12 |r|
OC(=O)Cc1csc2c(F)c(O[C@H]3COc4nc(ccc34)C(F)(F)F)cc(Cl)c12 |r|
OC(=O)Cc1csc2cc(OC3CCc4nc(ccc34)C#N)cc(Cl)c12
OC(=O)Cc1csc2cc(O[C@@H]3CCc4ncccc34)cc(Cl)c12 |r|
OC(=O)Cc1csc2cc(O[C@@H]3COc4ncccc34)cc(Cl)c12 |r|
OC(=O)Cc1csc2cc(O[C@H]3CCc4ncccc34)cc(Cl)c12 |r|
OC(=O)Cc1csc2cc(O[C@H]3COc4ncccc34)cc(Cl)c12 |r|
OC(=O)c1ccc2oc(SCc3ccc(Cl)cc3Cl)nc2c1
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)[C@]2([H])C(=O)C=C2[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#N)C(O)=O |r,c:19,33|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
[H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C(C)(C)C(=O)C(=C[C@]12C)C#N |r,c:24|