914 SMILES Strings for Protein kinase C delta type

Compound Name
SMILES String
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1C2CCC(C2)C1NC(=O)c1ccc(O)cc1 |THB:22:23:25.26:28,30:29:25.26:28|
CN1[C@@H]2CCC1C(NC(=O)c1ccc(O)cc1)[C@H](C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |r,TLB:19:17:3.4:1,0:1:3.4:6.17.18,THB:7:6:3.4:1|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC[N@@](CC2)CC1NC(=O)c1ccc(O)cc1 |wU:23.24,wD:27.28,(10.28,-8.36,;9.72,-9.8,;10.68,-11,;8.2,-10.03,;7.63,-11.46,;6.11,-11.69,;5.15,-10.49,;5.71,-9.05,;4.23,-8.64,;7.24,-8.82,;7.8,-7.39,;9.32,-7.16,;6.84,-6.18,;5.32,-6.41,;4.75,-7.85,;4.36,-5.21,;4.92,-3.78,;6.44,-3.55,;7.4,-4.75,;8.92,-4.52,;3.96,-2.57,;2.44,-2.8,;4.52,-1.14,;3.56,.06,;2.06,-.28,;.86,.68,;.86,2.22,;2.06,3.18,;2.35,2.03,;2.35,.88,;3.56,2.84,;4.23,1.45,;5.77,1.45,;6.54,2.79,;5.77,4.12,;8.08,2.79,;8.85,4.12,;10.39,4.12,;11.16,2.79,;12.7,2.79,;10.39,1.45,;8.85,1.45,)|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC[N@@](CC2)CC1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CC(C3CCCC23)[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC(C3CCCC23)[C@H]1NC(=O)c1ccc(O)cc1 |r|
CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCNC(=O)c1ccc(O)cc1
c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|
CS(=O)(=O)NC(COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1)Cc1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NS(=O)(=O)c1ccc2ccccc2c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NC(=O)c1ccccc1
CN(C)C(COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1)Cc1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCc1ccc(O)cc1
CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(COc1ccc(O)cc1)NS(=O)(=O)c1ccccc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCCc1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@@H]1Cc1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCc1ccc(O)cc1
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CCCCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CC(C)COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)OCC2CCCCC2)c(O)c1 |r|
CC(C)(C)C(=O)OCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CC(=O)OCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1
COC(=O)c1cccc(O)c1Oc1c(O)cc(cc1O)C(=O)O[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1 |r|
COC(=O)c1cccc(O)c1Oc1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CC(C)OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2n[nH]c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2csc3ccccc23)c2ccccc12 |t:9|
CN(C)CCOc1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
CN(C)CCOc1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1 |t:9|
CN1CCN(CC1)c1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:15|
CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11|
O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCOCC1 |c:5|
Cc1c(Nc2c(\C=C\CN3CCCCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCN3CCCCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCCN3CCCCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CN3CCOCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCN3CCOCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCCN3CCOCC3)cncc2C#N)ccc2[nH]ccc12
CN1CCN(C\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CN1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CN1CCN(CCC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Cc1c(Nc2c(\C=C\CN3CCNCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCN3CCNCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCCN3CCNCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CN3CCC(N)CC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCN3CCC(N)CC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCCN3CCC(N)CC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CN3CCC(O)CC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCN3CCC(O)CC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCCN3CCC(O)CC3)cncc2C#N)ccc2[nH]ccc12
CNC1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CN(C)C1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Cc1c(Nc2c(\C=C\CCN3CCC(CN)CC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCN3CCC[C@@H](N)C3)cncc2C#N)ccc2[nH]ccc12 |r|
Cc1c(Nc2c(\C=C\CCN3CCC[C@H](N)C3)cncc2C#N)ccc2[nH]ccc12 |r|
Cc1c(Nc2c(\C=C\CCN3CC(N)C3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCN3CC[C@@H](N)C3)cncc2C#N)ccc2[nH]ccc12 |r|
Cc1c(Nc2c(\C=C\CCN3CC[C@H](N)C3)cncc2C#N)ccc2[nH]ccc12 |r|
Cc1c(Nc2c(\C=C\CCN3CCC(CC3)NS(C)(=O)=O)cncc2C#N)ccc2[nH]ccc12
CCS(=O)(=O)NC1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CC(C)S(=O)(=O)NC1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Cc1c(Nc2c(\C=C\CCN3CCC(CC3)NS(=O)(=O)c3ccccc3)cncc2C#N)ccc2[nH]ccc12
CC(=O)NC1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
COC1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Cc1c(Nc2c(\C=C\CCN3CCC(CO)CC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCN3CCC(CC3)c3ccccc3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCN3CC[C@H](O)C3)cncc2C#N)ccc2[nH]ccc12 |r|
Cc1c(Nc2c(\C=C\CCN3CC[C@@H](O)C3)cncc2C#N)ccc2[nH]ccc12 |r|
Cc1c(Nc2c(\C=C\CCN3CCC[C@H](O)C3)cncc2C#N)ccc2[nH]ccc12 |r|
Cc1c(Nc2c(\C=C\CCN3CCC[C@@H](O)C3)cncc2C#N)ccc2[nH]ccc12 |r|
Cc1c(Nc2c(\C=C\CCN3CCCNCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCN3CCN(CC3)c3ccccc3)cncc2C#N)ccc2[nH]ccc12
CC(=O)N1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Cc1c(Nc2c(\C=C\CCN3CCN(CC3)C(=O)C(C)(C)C)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\CCN3CCN(CC3)S(C)(=O)=O)cncc2C#N)ccc2[nH]ccc12
CCS(=O)(=O)N1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CC(C)S(=O)(=O)N1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Cc1c(Nc2c(\C=C\CCN3CCN(CC3)S(=O)(=O)c3ccccc3)cncc2C#N)ccc2[nH]ccc12
Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\CCN1CCC(CC1)NS(C)(=O)=O
Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\CCN1CCNCC1
CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CC(C)C1N(C)c2cccc3[nH]cc(CC(CO)NC1=O)c23
CCCCCCCCc1ccc2N(C)C(C(C)C)C(=O)NC(CO)Cc3c[nH]c1c23
CC1CC2(OC(=O)Cc3ccccc3)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:17,25|
CCC(C)(CCOC(CO)COC(=O)CC(C)(CC)C(C)C)C(C)C
CCC(C)(C\C=C1\CC(CO)(COC(=O)CC(C)(CC)C(C)C)OC1=O)C(C)C
CC1C(OC(=O)C=CC=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,8.7,t:35,TLB:1:37:19:16.17,THB:2:16:21.37.38:19,22:21:19:16.17,22:21:1.2.16:38.18.19|
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(C)=O |w:8.7|
CC1CC2(OC(C)=O)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:10,18|
CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,t:33,TLB:1:35:17:14.15,THB:2:14:19.35.36:17,20:19:17:14.15,20:19:1.2.14:36.16.17|
CCCC(=O)O[C@@H]1[C@H](C)[C@@]2(O)C3C=C(C)C(=O)[C@@]3(O)CC(=O)CC2C2C(C)(C)[C@@]12OC(=O)CCC |r,t:12|
CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC |r|
CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)N(=O)=O)OC2=O)cc1
CCCC(=O)O[C@@]12C(C3CC(=O)C[C@@]4(O)C(C=C(C)C4=O)[C@]3(O)[C@@H](C)[C@H]1OC(=O)c1ccccc1NC)C2(C)C |r,t:16|
CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |r,c:23,t:12|
CCC\C=C\C=C\C(=O)O[C@H]1\C(C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O)=C\C(=O)OC |r,t:43|
COC(=O)\C=C1\C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(C)=O)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C[C@@H]3C\C(=C/C(=O)OC)[C@H](OC(C)=O)[C@@](O)(O3)C(C)(C)\C=C\[C@@H](C1)O2)[C@@H](C)O |t:52|
C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)C[C@@H]4[C@@H](OC(=O)C5(C)CCCCC5)C(C)=C[C@@]14C3=O)C2(C)C |r,c:25,t:6|
C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)C[C@]4(O)[C@@H](OC(=O)C5(C)CCCCC5)C(C)=C[C@@]14C3=O)C2(C)C |r,c:26,t:6|
C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@@H]4[C@@H](OC(=O)C5(C)CCCCC5)C(C)=CC14C3=O)C2(C)C |r,c:26,t:6|
CC1=C[C@@]23CC[C@@H]4[C@H]([C@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1OC(=O)C1(C)CCCCC1)C3=O)C4(C)C |r,t:1,9|
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:15,t:11|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C[C@H](N)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccc(cc1)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:14,t:10|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:13,t:9|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
CN([C@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1)C(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |r|
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1[C@@H](Cc2ccccc12)NC(=O)c1ccc(O)cc1
CCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCC)O)C
CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|
CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|
CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3)N1C)CO
CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
CCCCCCCCCCc1ccc2C[C@@H](CO)OC(=O)[C@H](C(C)C)N(C)c2c1
CCCCCCCCCCCN1[C@@H](C(C)C)C(=O)O[C@H](CO)Cc2ccccc12
Oc1cc2COCc3cc(O)c(O)c(O)c3-c2c(O)c1O
CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(O)c4ccccc34)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
CCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CCc12
N#Cc1cnc2sc(cc2c1Nc1ccc2[nH]ccc2c1)-c1ccccc1
Cc1c(Nc2c(cnc3sc(cc23)-c2ccccc2)C#N)ccc2[nH]ccc12
CN(C)Cc1cccc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCOCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
O=C1NC(=O)C2=C1c1cn(CCO[C@H](CNS(=O)(=O)c3ccccc3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
O=C1NC(=O)C2=C1c1cn(CCO[C@H](CNCc3ccccc3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9|
OC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
O=C1NC(=O)C2=C1c1cn(CCO[C@H](CN3CCCC3)CCn3cc2c2ccccc32)c2ccccc12 |c:5|
CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12|
CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2ccccc2O)C(=O)O1)C(C)C
CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2cccc(O)c2)C(=O)O1)C(C)C
CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2ccc(O)cc2)C(=O)O1)C(C)C
CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2cccc(c2)C(O)=O)C(=O)O1)C(C)C
CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2ccc(cc2)C(O)=O)C(=O)O1)C(C)C
CC(C)C(CC(=O)OCC1(CO)C\C(=C\c2ccc(cc2)C(O)=O)C(=O)O1)C(C)C
CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2cccc(c2)C(O)=O)C(=O)O1
CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)C(O)=O)C(=O)O1
CC(C)CC(CC(C)C)CC(=O)OCC1(CO)C\C(=C/c2cccc(c2)C(O)=O)C(=O)O1
CC(C)CC(CC(C)C)CC(=O)OCC1(CO)C\C(=C/c2ccc(cc2)C(O)=O)C(=O)O1
CC(C)CC(CC(C)C)CC(=O)OCC1(CO)C\C(=C/c2ccccc2C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)O1
CC(C)CC(CC(C)C)CC(=O)OCC1(CO)C\C(=C/c2cccc(c2)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)O1
CC(C)CC(CC(C)C)CC(=O)OCC1(CO)C\C(=C/c2ccc(cc2)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)O1
CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(CO)CO)OC1=O)CC(C)C
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CCN(CC2)C[C@H]1NC(=O)c1ccc(O)cc1 |wU:23.24,wD:31.35,(5.05,-.22,;5.83,-1.57,;7.37,-1.57,;4.73,-2.67,;3.19,-2.67,;2.43,-4.01,;3.2,-5.33,;4.73,-5.33,;3.96,-6.66,;5.5,-4.01,;7.05,-4.01,;7.82,-2.67,;7.82,-5.34,;9.36,-5.33,;10.12,-3.98,;10.13,-6.66,;9.36,-8,;7.82,-8,;7.05,-6.67,;5.95,-7.76,;10.13,-9.34,;9.36,-10.69,;11.68,-9.34,;12.44,-10.37,;11.84,-11.54,;13.1,-11.2,;13.44,-12.46,;14.69,-12.12,;13.59,-13.01,;12.38,-12.68,;14.67,-10.97,;13.71,-10.12,;14.36,-8.72,;15.9,-8.71,;16.67,-10.04,;16.66,-7.37,;18.2,-7.37,;18.97,-6.04,;18.19,-4.7,;18.95,-3.35,;16.63,-4.71,;15.88,-6.06,)|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CCCNC[C@@H]1NC(=O)c1ccc(O)cc1
OC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
N[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1
CC(C)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F
CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCSC[C@H]1NC(=O)c1ccc(O)cc1
CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|
NC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
O[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
NC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
CC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCOC[C@H]1NC(=O)c1ccc(O)cc1
COC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
CNC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23
CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(C[C@@H](CO)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
CC(C)[C@@H]1N(C)c2ccccc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2cc3CCCC(C)(C)c3cc2C[C@@H](CO)NC1=O
CCCCCCCCCCC1N(C)c2ccccc2C[C@@H](CO)NC1=O
CCCCCCCCCCc1ccc2C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c2c1
CC(C)[C@@H]1N(C)c2cc3c(CCCC3(C)C)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2cc3c(cc2C[C@@H](CO)NC1=O)C(C)(C)CCC3(C)C
CC(C)[C@@H]1N(C)c2cc3c(CCCC33CCCCC3)cc2C[C@@H](CO)NC1=O
CC(C)[C@@H]1N(C)c2cc3c(CCCC33CCC(C)(C)CC3)cc2C[C@@H](CO)NC1=O
CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|
CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc2c1
CC(C)CC(C\C=C1/CC(CO)(COC(=S)C(C)(C)C)OC1=O)CC(C)C
CC(C)CC(C\C=C1\COC(CO)(COC(=O)C(C)(C)C)C1)CC(C)C
CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=S)CC(C)C
CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
CC(C)CC(C\C=C1/CC(CO)(COCC(C)(C)C)OC1=O)CC(C)C
CC(C)C(C\C=C1/CC(CO)(COC(=O)c2ccc(O)cc2)OC1=O)C(C)C
C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22|
CCCCCCCCCC[C@@H]1N(C)c2ccccc2C[C@@H](CO)NC1=O
CCCCCCCCCCCC[C@@H]1N(C)c2ccccc2C[C@@H](CO)NC1=O
CCCCCCCCCCCCCCCCCCCC[C@@H]1N(C)c2ccccc2C[C@@H](CO)NC1=O
CCCCCCCCCCCCCC[C@@H]1N(C)c2ccccc2C[C@@H](CO)NC1=O
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#8]-c2ccc(cc2)C#Cc2ccc(-[#6])cc2)[#8]-[#6]-1=O
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-[#6]-[#8]-c2ccc(cc2)C#Cc2ccc(-[#6])cc2)[#8]-[#6]-1=O
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-c2ccc(cc2)C#Cc2ccc(-[#6])cc2)[#8]-[#6]-1=O
[#6]\[#6](-[#6])=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)-[#6]-[#6]-[#8]-c2ccc(cc2)C#Cc2ccc(-[#6])cc2)[#8]-[#6]-1=O
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cc(O)ccc1Br |r|
CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cccc(O)c4)O[C@@]1(C3)O2 |r|
OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2 |r|
CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |r|
CCCCCCCCC#Cc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1OC
CCCCC(=O)OCC(=O)[C@]1(O)C[C@@H](O[C@@H]2C[C@H](C)[C@H](O)[C@H](C2)NCc2ccccc2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2C1
CCCCCCCCC#Cc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |r,c:33,t:22|
CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@@](C)(C(C)C)c2c1
CCCCCCCCCCCC(=O)Oc1ccc2[C@@H]3[C@@H](CO)NC(=O)[C@@H]3[C@](C)(C(C)C)c2c1
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CC(C)C[C@H]1CN(CCN1)c1ccc(-c2ccccc2)c(n1)C(=O)c1cccnc1N |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1O |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1CO |r|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)C3)c3ccccc23)c2ccccc12 |t:4|
CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:11|
CCN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:12|
CC(C)N1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:13|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(CC4CC4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCNCC3)c3ccccc23)c2ccccc12 |t:4|
CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:11|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)CC3)c3ccccc23)c2ccccc12 |t:4|
CCN1CCOCCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|
CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:10|
CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
CN1CCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:11|
CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|
Cc1cc2c(cc1NC3CNC3)N4[C@@H](C(=O)NN=C4CO2)C
CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccs3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3csc4ccccc34)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccc4ccccc34)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccnc3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cnc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
CC(C)CC(C\C=C1\CC(CO)(COCC(C)(C)C)OC1=O)CC(C)C
Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1
Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 |wU:4.7,wD:1.0,(19.77,-1.9,;21.02,-1.01,;22.42,-1.66,;23.69,-.77,;23.53,.76,;22.14,1.41,;20.89,.52,;24.79,1.65,;26.19,1.01,;26.33,-.53,;27.44,1.9,;27.3,3.44,;28.55,4.33,;29.95,3.7,;30.1,2.15,;31.61,1.81,;32.4,3.14,;33.83,3.77,;33.68,5.31,;32.16,5.65,;31.37,4.31,;35.16,2.99,;35.15,1.44,;36.46,.66,;37.81,1.42,;37.82,2.96,;36.49,3.74,;39.13,.64,;39.12,-.9,;40.44,-1.67,;41.78,-.91,;43.11,-1.69,;41.78,.63,;40.46,1.4,;28.85,1.26,)|
NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4
CC(C)CC(C\C=C1\CC(CO)(COC(=O)CC(C)C)OC1=O)CC(C)C |w:9.11|
CC(C)C\C=C1\OC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O |w:7.9|
CC(C)CC(C\C=C1\OC(CO)(COC(=O)CC(C)C)OC1=O)CC(C)C |w:9.11|
CC(C)CC(C\C=C1\OC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C |w:9.11|
CC(C)C\C=C1\CC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O |w:7.9|
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
CCCCCCn1cc2CC[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c3cccc1c23
CCCCCCn1cc2C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c3cccc1c23
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12
Cc1c(\C=C\C(=O)N2CCCC2)sc2ncc(C#N)c(Nc3ccc4[nH]ccc4c3C)c12
Cc1c(Nc2c(cnc3sc(\C=C\CN4CCCC4)cc23)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cnc3sc(cc23)-c2cccc(c2)C(=O)N2CCCC2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cnc3sc(CCC(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)NN4CCCC4)cc23)C#N)ccc2[nH]ccc12
CN(C)NC(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
CN(C)CCN(C)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
COCCNC(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)Nc4ccccc4)cc23)C#N)ccc2[nH]ccc12
CCNC(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
CCN(CC)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
CN(C)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Cc1c(Nc2c(cnc3sc(\C=C\C(N)=O)cc23)C#N)ccc2[nH]ccc12
CN1CCN(CC1)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCNCC4)cc23)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCOCC4)cc23)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCCC4)cc23)C#N)ccc2[nH]ccc12
CN(C)[C@H]1CCN(C1)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N |r|
CN(C)[C@@H]1CCN(C1)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N |r|
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCC(O)C4)cc23)C#N)ccc2[nH]ccc12
CN(C)Cc1cncc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
CN(C)Cc1ccc(cc1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
COc1ccc(CN(C)C)cc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
CN(C)Cc1cc(cs1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
CN(C)Cc1ccc(C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
COc1ccccc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
CN(C)Cc1ccccc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
COc1c(CN(C)C)cccc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
CCOc1ccc(CN(C)C)cc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
OCc1cc(cc(c1)C(=O)OCc1cccc(c1)C(F)(F)F)C(=O)OCc1cccc(c1)C(F)(F)F
CCCC(CC)OC(=O)c1cc(CO)cc(c1)C(=O)OC(CC)CCC
CCCCC(CC)OC(=O)c1cc(CO)cc(c1)C(=O)OC(CC)CCCC
COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1
COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc2[nH]ccc12
COc1ccc(cc1OC)-c1cncc(C#N)c1N(C)c1ccc2[nH]ccc2c1
COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
CCc1c(Nc2c(cncc2-c2ccc(OC)c(OC)c2)C#N)ccc2[nH]ccc12
COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cc2cc[nH]c2cc1C
COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1OC
COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1F
COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2n(C)ccc2c1C
Cc1c(Nc2c(cncc2-c2ccccc2)C#N)ccc2[nH]ccc12
COc1ccc(cc1)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
COc1cccc(c1)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
COc1ccccc1-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
Cc1c(Nc2c(cncc2-c2ccc(OCCN3CCOCC3)cc2)C#N)ccc2[nH]ccc12
CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Cc1c(Nc2c(cncc2-c2ccc(OCCN3CCCC3)cc2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2ccc(OCCN3CCN(CCO)CC3)cc2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2ccc(OCCN3CCC(CC3)N3CCCC3)cc2)C#N)ccc2[nH]ccc12
CN(C)CCNCCOc1ccc(cc1)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
CN1CCN(CCCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2cccc3[nH]ccc23)CC1
CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2)CC1
CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2cc3cc[nH]c3cc2C)CC1
Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nnn[nH]2)c(O)c1 |r|
CC(C)(C)C(=O)OCn1nnnc1-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1
CC(C)(C)C(=O)OCn1nnc(n1)-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1
CC(=O)Nc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NC(=O)C(F)(F)F)c(O)c1 |r|
Cn1nnnc1-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
CS(=O)(=O)Nc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Cn1nnc(n1)-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1
C[C@]1(CCCNC[C@H]1NC(=O)c1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCOC[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCSC[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CNCC1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CCCC1NC(=O)c1ccc(O)cc1
Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccs1
Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)[N+]([O-])=O
Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(N)cc1Nc1nccc(n1)-c1cccnc1
Clc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1
CNc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1
CN(C(=O)c1ccccc1)c1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1ccc[n+]([O-])c1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
CC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)N(C(=O)c1ccccc1)C(=O)c1ccccc1
COc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1Cc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1Cc2ccccc2[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
OC(=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
NCCCn1ccc2c(cccc12)-c1ccnc(Nc2cccc(OC(F)(F)C(F)F)c2)n1
FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2ccncc2)c1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccncc1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2ccccn2)c1
Clc1cccc(Nc2nccc(n2)-c2cccnc2)c1
C(Cn1ccnc1)Oc1cccc(Nc2nccc(n2)-c2cccnc2)c1
FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2ccc(Cl)cc2)c1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
N(c1cccc(c1)-n1ccnc1)c1nccc(n1)-c1cccnc1
COc1ccccc1C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccnc1
FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c1
N(c1ccccc1)c1nccc(n1)-c1cccnc1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2ccncc2)c1
CCCCCC(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
CCCCCCCCCCCCCCN1C[C@H](CO)NC(=O)[C@H]1C(C)C
CCCCCCCCCCCCCCN1C[C@@H](CO)NC(=O)[C@H]1C(C)C
CC(C)[C@@H]1Nc2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
CCCCCCCCCCCCCCN1C[C@H](CO)NC(=O)[C@@H]1C(C)C
CCCCCCCCCCCCCCN1C[C@@H](CO)NC(=O)[C@@H]1C(C)C
C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCCCCCCCO[C@H](CC(=O)OCCCCCCCC)[C@@H](C)O |r|
CCCCCCCCC[C@@H](OC(=O)CCCCCCC)[C@@H](C)O |r|
CCCCCCCCOC(=O)C[C@@H](OC(=O)CCCCCCC)[C@@H](C)O |r|
CN(C)Cc1ccc(cc1)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
CN(C)Cc1cccc(c1)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
CN(C)Cc1ccccc1-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
CN1CCN(Cc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CN1CCN(Cc2cccc(c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Cc1c(Nc2c(cncc2-c2ccc(CN3CCOCC3)cc2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2cccc(CN3CCOCC3)c2)C#N)ccc2[nH]ccc12
CN1CCN(Cc2ccc(cn2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CN1CCN(Cc2ccc(s2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CN1CCN(Cc2cc(cs2)-c2cccc(C#C)c2Cc2ccc3CC=Cc3c2C)CC1 |c:27|
CN1CCN(Cc2ccc(o2)-c2cccc(C#C)c2Cc2ccc3CC=Cc3c2C)CC1 |c:27|
CN1CCN(Cc2cc(co2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Cc1c(Nc2c(cncc2-c2ccc(CN3CCOCC3)o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2ccc(CN3CCSCC3)o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2ccc(CN3CCCCC3)o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2ccc(CN3CCCC3)o2)C#N)ccc2[nH]ccc12
CCN(CC)Cc1ccc(o1)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
CN(C)C1CCN(Cc2cc(co2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CC(C)N1CCN(Cc2cc(co2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Cc1c(Nc2c(cncc2-c2coc(CN3CCN(CC3)C3CCCC3)c2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C/c3ccccc3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3ccccc3)cncc2C#N)ccc2[nH]ccc12
N#Cc1cncc(\C=C\c2ccccc2)c1Nc1ccc2[nH]ccc2c1
N#Cc1cncc(C=Cc2ccccc2)c1Nc1cccc2[nH]ccc12 |w:7.6|
Cn1ccc2cc(Nc3c(\C=C\c4ccccc4)cncc3C#N)ccc12
Cc1cc2cc(Nc3c(\C=C\c4ccccc4)cncc3C#N)ccc2[nH]1
Cc1cc2c(C)c(Nc3c(\C=C\c4ccccc4)cncc3C#N)ccc2[nH]1
Cc1cc(Nc2c(\C=C\c3ccccc3)cncc2C#N)c(C)c2cc[nH]c12
Cc1c(Nc2c(\C=C\c3ccccc3)cncc2C#N)ccc2n(C)ccc12
Clc1cc2[nH]ccc2cc1Nc1c(\C=C\c2ccccc2)cncc1C#N
Cc1c(Nc2c(\C=C\c3ccccc3)cncc2C#N)cc(Cl)c2[nH]ccc12
Cc1c(Oc2c(\C=C\c3ccccc3)cncc2C#N)ccc2[nH]ccc12
CN(c1ccc2[nH]ccc2c1)c1c(\C=C\c2ccccc2)cncc1C#N
Cc1c(Nc2c(CCc3ccccc3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\C3CCCCC3)cncc2C#N)ccc2[nH]ccc12
COc1ccccc1\C=C\c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
COc1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
COc1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
CN1CCN(CCOc2ccccc2\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
CN1CCN(CCOc2ccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)cc2)CC1
Cc1c(Nc2c(\C=C\c3ccccc3OCCN3CCCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3cccc(OCCN4CCCC4)c3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3ccc(OCCN4CCCC4)cc3)cncc2C#N)ccc2[nH]ccc12
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
CN1CCN(CC1)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
Cc1c(Nc2c(\C=C\c3ccc(cc3)S(=O)(=O)N3CCCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3ccc(cc3)S(=O)(=O)N3CCCCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3ccc(cc3)S(N)(=O)=O)cncc2C#N)ccc2[nH]ccc12
CN(C)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
CCN(CC)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
CCCN(CCC)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
CC(C)N(C(C)C)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
Cc1c(Nc2c(\C=C\c3cccc(c3)S(=O)(=O)N3CCCC3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3cccc(c3)S(=O)(=O)N3CCCCC3)cncc2C#N)ccc2[nH]ccc12
CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1cccc(c1)S(=O)(=O)N1CCCC1
Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1cccc(c1)S(=O)(=O)N1CCCCC1
CN1CCN(CC1)S(=O)(=O)c1ccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1ccc(cc1)S(=O)(=O)N1CCCC1
Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1ccc(cc1)S(=O)(=O)N1CCCCC1
CN1CCN(CC1)S(=O)(=O)Cc1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
CN1CCN(CC1)S(=O)(=O)Cc1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
CN1CCN(CC1)S(=O)(=O)Cc1ccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
CN1CCN(CC1)S(=O)(=O)Cc1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
CN1CCN(Cc2ccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)cc2)CC1
CN1CCN(Cc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
CN1CCN(Cc2ccccc2\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CN1CCN(Cc2ccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)nc2)CC1
CN1CCN(Cc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)n2)CC1
CN1CCN(Cc2ccnc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
Cc1c(Nc2c(\C=C\c3ccc(CN4CCOCC4)cc3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3ccc(CN4CCCCC4)cc3)cncc2C#N)ccc2[nH]ccc12
CN(C)C1CCN(Cc2ccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)cc2)CC1
Cc1c(Nc2c(\C=C\c3ccc(CN4CCC(O)CC4)cc3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3ccc(CN4CCN(CCO)CC4)cc3)cncc2C#N)ccc2[nH]ccc12
COCCNCc1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
Cc1c(Nc2c(\C=C\c3cccc(CN4CCOCC4)c3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3cccc(CN4CCCCC4)c3)cncc2C#N)ccc2[nH]ccc12
CN(C)C1CCN(Cc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1
Cc1c(Nc2c(\C=C\c3cccc(CN4CCC(O)CC4)c3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3cccc(CN4CCN(CCO)CC4)c3)cncc2C#N)ccc2[nH]ccc12
COCCNCc1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Cc1c(Nc2c(\C=C\c3ccc(CN4CCOCC4)cn3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3ccc(CN4CCCCC4)cn3)cncc2C#N)ccc2[nH]ccc12
CN(C)C1CCN(Cc2ccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)nc2)CC1
Cc1c(Nc2c(\C=C\c3ccc(CN4CCC(O)CC4)cn3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3ccc(CN4CCN(CCO)CC4)cn3)cncc2C#N)ccc2[nH]ccc12
COCCNCc1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)nc1
Cc1c(Nc2c(\C=C\c3cccc(CN4CCOCC4)n3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3cccc(CN4CCCCC4)n3)cncc2C#N)ccc2[nH]ccc12
CN(C)C1CCN(Cc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)n2)CC1
Cc1c(Nc2c(\C=C\c3cccc(CN4CCC(O)CC4)n3)cncc2C#N)ccc2[nH]ccc12
Cc1c(Nc2c(\C=C\c3cccc(CN4CCN(CCO)CC4)n3)cncc2C#N)ccc2[nH]ccc12
COCCNCc1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)n1
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6
NCCNc1nc(cc2cnccc12)-c1ccncc1
OCCCNc1nc(cc2cnccc12)-c1ccncc1
CNc1cc(ccn1)-c1cc2cnccc2c(NCCCO)n1
C1CN(CCN1)c1nc(cc2cnccc12)-c1ccncc1
Clc1cc(ccn1)-c1cc2cnccc2c(n1)N1CCNCC1
C1CCC(CC1)Nc1cc(ccn1)-c1cc2cnccc2c(n1)N1CCNCC1
CC=CC(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@H](CC[C@H](C)\C=C(/C)[C@H](C)O)O3)CC[C@@H]2C)O1 |r,w:1.0|
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1
CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O
CCCCOc1ccc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)n[nH]2)cc1OC |w:10.10,15.15|
COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
CCCCOc1ccc(\C=C\c2cc(\C=C\c3ccc(OCCCC)c(OC)c3)on2)cc1OC
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@@H]2CC[C@@H](O)C2)C1=O |r|
CN(Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1)C(C)=O |t:12|
CN(Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1)C1CC1 |t:12|
Cn1cc(C2=C(C(=O)NC2=O)c2cccc3ccc(CN)cc23)c2ccccc12 |t:4|
NCc1ccc2cccc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 |t:10|
Cn1cc(C2=C(C(=O)NC2=O)c2cccc3cc(CN)ccc23)c2ccccc12 |t:4|
Cc1ccc2ccc(CN)cc2c1C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:15|
Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN)cc23)c2ccccc12 |t:4|
CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c(Cl)ccc2c1 |t:9|
CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c(Cl)ccc2c1 |t:9|
CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
COCCNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:15|
CC(C)NCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:14|
CN1CCN(Cc2ccc3ccc(Cl)c(C4=C(C(=O)NC4=O)c4cn(C)c5ccccc45)c3c2)CC1 |t:15|
Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN4CCC4)cc23)c2ccccc12 |t:4|
Cc1ccc2ccc(CN)cc2c1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:15|
CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 |t:13|
OC[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
NC[C@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
OC[C@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
O[C@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
NC[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
O[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
C[C@@H]1[C@@H](OC(=O)\C=C\c2ccccc2)[C@@]2(OC3(O[C@@H]2[C@@H]2C4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)c1ccccc1)C(C)=C |t:33,TLB:15:16:19:14.2.1|
C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C |c:26,t:6|
CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)C=Cc3ccccc3)c2O)c1O |w:26.26,c:16|
CC(C)C(C\C=C1\C(=O)OC(CO)(COC(=O)C(C)(C)C)C1(C)C)C(C)C
CC(C)C(C\C=C1/C(=O)OC(CO)(COC(=O)C(C)(C)C)C1(C)C)C(C)C
COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
CC(C)[C@@H]1N(C)c2ccc3c(nn4cc(C[C@@H](CO)NC1=O)c2c34)C(F)(F)F
CC(C)[C@@H]1N(C)c2ccc3cnn4cc(C[C@@H](CO)NC1=O)c2c34
CC(C)[C@@H]1N(C)c2ccc3c(C)nn4cc(C[C@@H](CO)NC1=O)c2c34
Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1
CN(C)Cc1cccc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3)c(cnc2s1)C#N
CN1CCN(Cc2cccc(c2)-c2cc3c(Nc4ccc5[nH]ccc5c4)c(cnc3s2)C#N)CC1
CN(C)Cc1ccc(cc1)-c1cc2c(Nc3ccc4[nH]ccc4c3)c(cnc2s1)C#N
CN1CCN(Cc2ccc(cc2)-c2cc3c(Nc4ccc5[nH]ccc5c4)c(cnc3s2)C#N)CC1
N#Cc1cnc2sc(cc2c1Nc1ccc2[nH]ccc2c1)-c1ccc(CN2CCOCC2)cc1
CCc1c(Nc2c(cnc3sc(cc23)-c2ccccc2)C#N)ccc2[nH]ccc12
N#Cc1cnc2sc(cc2c1Nc1cccc2[nH]ccc12)-c1ccccc1
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
Cc1c(Nc2c(cncc2-c2cc3ccccc3o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2cc3ccccc3s2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCCC4)ccc3o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCCC4)ccc3s2)C#N)ccc2[nH]ccc12
CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CN1CCN(Cc2ccc3sc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CN(C)Cc1ccc2oc(cc2c1)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCC4)ccc3o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCOCC4)ccc3o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2cc3cc(CNC4CCCCC4)ccc3o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2cc3cc(CNCCO)ccc3o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2cc3cc(CNCCCO)ccc3o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2cc3cc(CNCC(O)CO)ccc3o2)C#N)ccc2[nH]ccc12
CCN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
CN(C)CCN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCN(CC4)S(C)(=O)=O)ccc3o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCN(CC4)c4ccccn4)ccc3o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCNCC4)ccc3o2)C#N)ccc2[nH]ccc12
Cc1c(Nc2c(cncc2-c2cc3cc(CN4CC[N+](C)([O-])CC4)ccc3o2)C#N)ccc2[nH]ccc12
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O |w:5.4,13.13|
CCCCCCCCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)cc1OC |w:21.21,14.14|
CCCCCCCCCCCCCCCCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)cc1OC |w:22.22,29.29|
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
CC(C)C[C@H]1CN(CCN1)c1cccc(n1)C(=O)c1cccnc1N |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(Cl)c(n1)C(=O)c1cccnc1N |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(C2CC2)c(n1)C(=O)c1cccnc1N |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(OC(F)F)c(n1)C(=O)c1cccnc1N |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(OCC(F)(F)F)c(n1)C(=O)c1cccnc1N |r|
CCCc1ccc(nc1C(=O)c1cccnc1N)N1CCN[C@@H](CC(C)C)C1 |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(Cc2ccccc2)c(n1)C(=O)c1cccnc1N |r|
CC(C)C[C@H]1CN(CCN1)c1cc(C)cc(n1)C(=O)c1cccnc1N |r|
CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1 |r|
C[C@@H]1CC(C)(C)[C@@]23C[C@@H](C[C@@H](CCCCc4cccc(O)c4)O2)OC(=O)C[C@H](CO)OC(=O)C[C@@H]1O3 |r|
C[C@@H]1[C@@H](CCCCc2cccc(O)c2)O[C@]23C[C@@H]1OC(=O)C[C@H](CO)OC(=O)C[C@@H](CCC2(C)C)O3 |r|
NCCNc1nc(cc2ccccc12)-c1ccncc1
NCCNc1nc(cc2ncccc12)-c1ccncc1
NCCNc1nc(cc2ccncc12)-c1ccncc1
NCCNc1cc(cc2cnccc12)-c1ccncc1
NCCNc1nc(nc2cnccc12)-c1ccncc1
NCCOc1nc(cc2cnccc12)-c1ccncc1
C[C@H](N)CNc1nc(cc2cnccc12)-c1ccncc1 |r|
CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1
NC(CNc1nc(cc2cnccc12)-c1ccncc1)Cc1ccccc1
CN(CCN)c1nc(cc2cnccc12)-c1ccncc1
CNCCNc1nc(cc2cnccc12)-c1ccncc1
C1CNCCN(C1)c1nc(cc2cnccc12)-c1ccncc1
NC1CCCN(C1)c1nc(cc2cnccc12)-c1ccncc1
NCCCNc1nc(cc2cnccc12)-c1ccncc1
OCCNc1nc(cc2cnccc12)-c1ccncc1
O=C1CN(CCN1)c1nc(cc2cnccc12)-c1ccncc1
CC(C)(N)CNc1nc(cc2cnccc12)-c1cccnc1
CC(C)(N)CNc1nc(cc2cnccc12)-c1ccnc(N)c1
CC(C)Nc1cc(ccn1)-c1cc2cnccc2c(NCC(C)(C)N)n1
CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1F
CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1Cl
Cc1cnccc1-c1cc2cnccc2c(NCC(C)(C)N)n1
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(C)cccc23)c2ccccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc2n1 |t:11|
CC(C)n1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCN(C)CC2)c2ccccc12 |t:6|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c(C)[nH]c3ccccc23)c2ccccc2n1 |t:11|
O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCNCC1 |c:5|
Cn1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCNCC2)c2ccccc12 |t:4|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3cccc(Cl)c23)c2ccccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(Cl)cc23)c2ccccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3cc(Cl)ccc23)c2ccccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3c(Cl)cccc23)c2ccccc2n1 |t:11|
CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11|
CN1CCN(CC1)c1cc2ccccc2c(n1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:20|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2c(C)cccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(F)ccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(Cl)ccc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(C)ccc2n1 |t:11|
CC(C)c1ccc2nc(nc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1)N1CCN(C)CC1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cc(ccc2n1)C(C)(C)C |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccc(F)cc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccc(Cl)cc2n1 |t:11|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2cccc(C)c2n1 |t:11|
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12
O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1F |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1C#N |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1ccc(c(n1)-c1n[nH]c2ncccc12)C(F)(F)F |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1ccc(Cl)c(n1)-c1n[nH]c2ncccc12 |r|
COC(C)(C(C)C)C1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12
CC(C)[C@@](C)(O)[C@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r|
CC(C)[C@](C)(O)[C@@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r|
CC(C)[C@](C)(O)[C@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r|
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r|
COC[C@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r|
CC(C)C[C@H]1CN(C[C@H](C)N1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r|
CC(C)C[C@H]1CN(C[C@@H](C)N1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r|
CC(C)C[C@@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r|
C1CN(C[C@H](N1)c1ccccc1)c1cccc(n1)-c1n[nH]c2ncccc12 |r|
CC(C)C[C@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r|
CC(C)C[C@@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r|
CC(C)[C@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r|
CC[C@@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r|
C[C@@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r|
Fc1ccc(nc1-c1n[nH]c2ncccc12)N1CCNCC1
C1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12
Nc1ncccc1C(=O)c1cccc(n1)N1CCNCC1
Nc1ncccc1C(=O)c1cccc(n1)N1CCCNCC1
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
[H][C@@]12C[C@@]3([H])C[C@@](CNc4nc(NCc5ccccc5OC(F)(F)F)ncc4C#N)(C1)C[C@@]([H])(C2)[C@H]3NCCO |r,TLB:5:3:34:6.31.30,THB:2:1:35.3.5:31,2:3:31:1.34.30,36:35:34:6.31.30,36:35:31:1.34.30,36:35:5.6.31:1.34.2,5:6:34:35.3.2|
CCCCCCCCCCCCCCCC[C@]1(OC)OO[C@H](CC(=O)OC)C=C1 |r,c:27|
[H][C@@]12CCC(C)(C)[C@]3(C[C@@]([H])(C[C@@H](CCCCc4ccc(I)c(O)c4)O3)OC(=O)C[C@H](CO)OC(=O)C1)O2 |r|
[H][C@@]12CCC(C)(C)[C@]3(C[C@@]([H])(C[C@@H](CCCCc4cc(O)ccc4Br)O3)OC(=O)C[C@H](CO)OC(=O)C1)O2 |r|
[H][C@@]12CCC(C)(C)[C@]3(C[C@@]([H])(C[C@@H](CCCCc4cc(O)c(Br)cc4Br)O3)OC(=O)C[C@H](CO)OC(=O)C1)O2 |r|
[H][C@@]12CCC(C)(C)[C@]3(C[C@@]([H])(C[C@@H](CCCCc4cccc(OC)c4)O3)OC(=O)C[C@H](CO)OC(=O)C1)O2 |r|
[H][C@@]12CCC(C)(C)[C@]3(C[C@@]([H])(C[C@@H](CCCCc4cc(O)ccc4I)O3)OC(=O)C[C@H](CO)OC(=O)C1)O2 |r|
[H][C@@]12CCC(C)(C)[C@]3(C[C@@]([H])(C[C@@H](CCCCc4cc(O)ccc4NC(C)=O)O3)OC(=O)C[C@H](CO)OC(=O)C1)O2 |r|
[H][C@@]12CCC(C)(C)[C@]3(C[C@@]([H])(C[C@@H](CCCCc4c(Br)cc(Br)c(O)c4Br)O3)OC(=O)C[C@H](CO)OC(=O)C1)O2 |r|
[H][C@@]12CCC(C)(C)[C@]3(C[C@@]([H])(C[C@@H](CCCCc4ccc(NC(C)=O)c(O)c4)O3)OC(=O)C[C@H](CO)OC(=O)C1)O2 |r|
[H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C |r|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:35,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C5(C)CCCCC5)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:28,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(CC)CC)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:25,t:6|
[H][C@@]12[#6]-[#6@@H](-[#6])[C@]34[#6]=[#6](-[#6])-[#6@H](-[#8]-[#6](=O)-[#6](\[#6])=[#6](\[#6])-[#6])[C@@]3([#8])[#6@H](-[#8])-[#6](-[#6]-[#8])=[#6][C@]([H])([#6]4=O)[C@]1([H])C2([#6])[#6] |r,c:25,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)CCCCCCCCC)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:29,t:6|
C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(=N/OC)\c5ccccc5)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:31,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(=C\C)\c5ccccc5)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:30,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5c(C)cccc5N)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:29,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccccc5-c5ccccc5)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:34,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccccc5OC)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:29,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccccc5)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:27,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccccc5NC)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:29,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5c(OC)cccc5OC)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:31,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5c(Cl)cccc5Cl)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:29,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5c(C)cccc5NC(C)=O)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:32,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccccc5Oc5ccccc5)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:35,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccc6ccccc6c5)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:32,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OCc5ccccc5)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:26,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5c(C)cccc5C)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:29,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccccc5Br)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:28,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccccc5Nc5ccccc5)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:35,t:6|
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5c(C)cccc5O)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:29,t:6|
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
NCC1(COC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F
CC(C)(C#N)c1cccc(n1)-c1ccnc2[nH]ncc12
Cc1cc(cc(c1)C1(CN)CCC1)-c1ccnc2[nH]nc(c12)C(F)(F)F
NCC1(CCC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F
NCC1(CCOCC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F
CC(C)(C#N)c1cccc(n1)-c1ccnc2[nH]ccc12
CC(C)(C#N)c1cccc(c1)-c1ccnc2[nH]ncc12
Cc1cc(cc(c1)C1(CN)COC1)-c1ccnc2[nH]nc(c12)C(F)(F)F
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccccc3C(=O)OCC(C)(C)[C@]1(O)O2)=C\C(=O)OC |r|
CCCCCCCCc1ccc2OCCC(=O)O[C@@H](CO)C[C@@H]3C\C(=C/C(=O)OC)[C@H](OC(=O)CCCCCCC)[C@@](O)(O3)C(C)(C)COC(=O)c2c1 |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](COC(=O)NCc3ccccc3)OC(=O)CCOc3ccccc3C(=O)OCC(C)(C)[C@]1(O)O2)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(Br)cc3C(=O)OCC(C)(C)[C@]1(O)O2)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(OC)cc1)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccccc1OC)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(OC)cccc1OC)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(OC(C)C)cccc1OC(C)C)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1cccc2[nH]ccc12)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)C(=O)OC(C)C)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)C(=O)N(CC)CC)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1cccc(c1)S(=O)(=O)N(CC)CC)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](COC(C)=O)OC(=O)CCOc3ccccc3C(=O)OCC(C)(C)[C@]1(O)O2)=C\C(=O)OC |r|
[H][C@@]12C\C(=C/C(=O)OC)[C@H](OC(=O)CCCCCCC)[C@@](O)(O1)C(C)(C)COC(=O)c1ccccc1OCCC(=O)O[C@@H](COC)C2 |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccccc1OC(C)C)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)S(=O)(=O)N(CC)CC)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc2[nH]ccc2c1)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccccc1)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(OC(C)C)cc1)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)C(=O)OC)=C\C(=O)OC |r|
CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(C)noc1C)=C\C(=O)OC |r|
[H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@@]12CCC(C)(C)[C@]3(C[C@]([H])(OC(=O)C[C@H](CO)OC(=O)C1)[C@H](C)[C@@H](CCCCc1cccc4cc(O)ccc14)O3)O2 |r|
[H][C@@]12CCC(C)(C)[C@]3(C[C@]([H])(OC(=O)C[C@H](CO)OC(=O)C1)[C@H](C)[C@@H](CCCCc1cccc4cc(OCc5ccccc5)ccc14)O3)O2 |r|
O[C@H]1C[C@H](C1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wU:1.0,3.5,(23.07,-4.85,;21.72,-5.59,;21.3,-7.07,;19.82,-6.64,;20.24,-5.16,;18.47,-7.39,;18.44,-8.93,;17.09,-9.67,;17.07,-11.21,;15.72,-11.96,;15.69,-13.5,;14.34,-14.24,;14.32,-15.78,;12.97,-16.53,;11.65,-15.74,;11.68,-14.2,;13.03,-13.45,;13.05,-11.91,;11.51,-11.91,;12.28,-10.58,;14.4,-11.17,;18.38,-12.01,;19.73,-11.26,;19.76,-9.72,;21.11,-8.98,;22.46,-8.23,)|
O[C@H]1C[C@@H](C1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wU:3.5,wD:1.0,(27.25,-5.16,;25.91,-5.91,;24.43,-5.48,;24,-6.96,;25.48,-7.39,;22.65,-7.71,;22.63,-9.25,;21.28,-9.99,;21.25,-11.53,;19.9,-12.28,;19.88,-13.82,;18.53,-14.56,;18.5,-16.1,;17.15,-16.85,;15.84,-16.06,;15.86,-14.52,;17.21,-13.77,;17.24,-12.23,;15.7,-12.23,;16.47,-10.89,;18.59,-11.49,;22.57,-12.33,;23.92,-11.58,;23.94,-10.04,;25.29,-9.3,;26.64,-8.55,)|
O[C@H]1C[C@@H](CNc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)C1 |r,wU:3.3,1.0,(11.85,-14.57,;11.82,-16.11,;12.89,-17.22,;11.78,-18.28,;11.75,-19.82,;10.4,-20.56,;10.37,-22.1,;9.02,-22.84,;8.99,-24.38,;7.64,-25.13,;7.62,-26.67,;6.27,-27.41,;6.24,-28.95,;4.89,-29.7,;3.58,-28.91,;3.61,-27.37,;4.95,-26.62,;4.98,-25.08,;3.44,-25.08,;4.21,-23.74,;6.33,-24.34,;10.31,-25.18,;11.66,-24.43,;11.68,-22.89,;13.03,-22.15,;14.38,-21.4,;10.71,-17.18,)|
O[C@H]1C[C@H](CNc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)C1 |r,wU:3.3,wD:1.0,(26.12,-14.05,;26.09,-15.59,;24.98,-16.65,;26.05,-17.75,;26.02,-19.29,;24.67,-20.04,;24.64,-21.58,;23.29,-22.32,;23.27,-23.86,;21.92,-24.61,;21.89,-26.15,;20.54,-26.89,;20.52,-28.43,;19.17,-29.18,;17.85,-28.39,;17.88,-26.85,;19.23,-26.1,;19.25,-24.56,;17.71,-24.56,;18.48,-23.22,;20.6,-23.81,;24.58,-24.66,;25.93,-23.91,;25.96,-22.37,;27.31,-21.63,;28.66,-20.88,;27.16,-16.7,)|
O[C@H]1CC[C@H](CC1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wU:4.7,1.0,(14.42,-16.78,;13.07,-17.52,;13.03,-19.06,;11.68,-19.8,;10.37,-19,;10.39,-17.46,;11.75,-16.72,;9.02,-19.74,;8.99,-21.28,;7.64,-22.02,;7.62,-23.56,;6.27,-24.31,;6.24,-25.85,;4.89,-26.6,;4.87,-28.14,;3.52,-28.89,;2.2,-28.09,;2.23,-26.56,;3.58,-25.81,;3.6,-24.26,;2.06,-24.26,;2.83,-22.93,;4.95,-23.52,;8.93,-24.36,;10.28,-23.61,;10.31,-22.07,;11.66,-21.33,;13.01,-20.58,)|
O[C@H]1CC[C@H](CC1)Nc1cc(NCc2ccccc2C(F)(F)F)ncc1C#N |r,wU:4.7,1.0,(26.79,-16.42,;25.44,-17.16,;25.4,-18.7,;24.05,-19.44,;22.74,-18.64,;22.76,-17.1,;24.12,-16.36,;21.39,-19.39,;21.36,-20.93,;20.01,-21.67,;19.99,-23.21,;18.64,-23.96,;18.61,-25.5,;17.26,-26.24,;17.24,-27.78,;15.89,-28.53,;14.57,-27.74,;14.6,-26.2,;15.95,-25.45,;15.97,-23.91,;14.43,-23.91,;15.2,-22.57,;17.32,-23.16,;21.3,-24.01,;22.65,-23.26,;22.68,-21.72,;24.03,-20.98,;25.38,-20.23,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wU:4.7,wD:1.0,(38.3,-17.89,;36.95,-18.63,;35.63,-17.83,;34.28,-18.57,;34.26,-20.11,;35.57,-20.91,;36.92,-20.17,;32.91,-20.86,;32.88,-22.4,;31.53,-23.14,;31.5,-24.68,;30.16,-25.43,;30.13,-26.97,;28.78,-27.71,;28.75,-29.25,;27.41,-30,;26.09,-29.21,;26.12,-27.67,;27.47,-26.92,;27.49,-25.37,;25.95,-25.37,;26.72,-24.04,;28.84,-24.63,;32.82,-25.48,;34.17,-24.73,;34.19,-23.19,;35.54,-22.44,;36.89,-21.69,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(NCc2ccccc2C(F)(F)F)ncc1C#N |r,wU:4.7,wD:1.0,(50.67,-17.53,;49.32,-18.27,;48,-17.47,;46.65,-18.21,;46.63,-19.75,;47.94,-20.55,;49.28,-19.81,;45.28,-20.5,;45.25,-22.04,;43.9,-22.78,;43.87,-24.32,;42.52,-25.07,;42.5,-26.61,;41.15,-27.35,;41.12,-28.89,;39.77,-29.64,;38.46,-28.85,;38.48,-27.31,;39.83,-26.56,;39.86,-25.02,;38.32,-25.02,;39.09,-23.68,;41.21,-24.27,;45.19,-25.12,;46.54,-24.37,;46.56,-22.83,;47.91,-22.09,;49.26,-21.34,)|
CO[C@@H]1CC[C@@H](CC1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wU:5.8,2.1,(17.18,-33.49,;15.86,-32.69,;14.51,-33.43,;13.19,-32.63,;11.84,-33.37,;11.82,-34.91,;13.13,-35.71,;14.47,-34.97,;10.47,-35.66,;10.44,-37.2,;9.09,-37.94,;9.06,-39.48,;7.71,-40.23,;7.69,-41.77,;6.34,-42.51,;6.31,-44.05,;4.96,-44.8,;3.65,-44.01,;3.67,-42.47,;5.02,-41.72,;5.05,-40.18,;3.51,-40.18,;4.28,-38.84,;6.4,-39.43,;10.38,-40.28,;11.73,-39.53,;11.75,-37.99,;13.1,-37.25,;14.45,-36.5,)|
CO[C@H]1CC[C@@H](CC1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wU:5.8,wD:2.1,(30.76,-33.78,;29.45,-32.98,;28.1,-33.72,;26.78,-32.92,;25.42,-33.66,;25.4,-35.2,;26.71,-36,;28.06,-35.26,;24.05,-35.94,;24.02,-37.48,;22.67,-38.22,;22.65,-39.76,;21.3,-40.51,;21.27,-42.05,;19.92,-42.79,;19.9,-44.33,;18.55,-45.08,;17.23,-44.29,;17.26,-42.75,;18.61,-42,;18.63,-40.46,;17.09,-40.46,;17.86,-39.13,;19.98,-39.72,;23.96,-40.56,;25.31,-39.81,;25.34,-38.27,;26.69,-37.53,;28.04,-36.78,)|
O[C@H]1CC[C@@H](CNc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC1 |r,wU:4.4,1.0,(13.85,-31.03,;13.83,-32.57,;15.15,-33.36,;15.12,-34.9,;13.77,-35.64,;13.74,-37.18,;12.39,-37.93,;12.36,-39.47,;11.01,-40.21,;10.99,-41.75,;9.64,-42.5,;9.61,-44.04,;8.26,-44.78,;8.24,-46.32,;6.89,-47.07,;5.57,-46.28,;5.6,-44.74,;6.95,-43.99,;6.97,-42.44,;5.43,-42.44,;6.2,-41.11,;8.32,-41.7,;12.3,-42.55,;13.65,-41.8,;13.68,-40.26,;15.03,-39.51,;16.37,-38.76,;12.45,-34.85,;12.47,-33.32,)|
O[C@H]1CC[C@H](CNc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC1 |r,wU:4.4,wD:1.0,(27.54,-32.2,;27.51,-33.74,;26.16,-34.49,;26.13,-36.03,;27.45,-36.82,;27.42,-38.36,;26.07,-39.1,;26.04,-40.64,;24.7,-41.38,;24.67,-42.92,;23.32,-43.67,;23.29,-45.21,;21.95,-45.95,;21.92,-47.49,;20.57,-48.24,;19.25,-47.45,;19.28,-45.91,;20.63,-45.16,;20.65,-43.62,;19.11,-43.62,;19.88,-42.28,;22,-42.88,;25.98,-43.72,;27.33,-42.97,;27.36,-41.43,;28.71,-40.69,;30.06,-39.94,;28.8,-36.08,;28.83,-34.54,)|
CO[C@@H]1CC[C@H](CNc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC1 |r,wU:5.5,2.1,(41.6,-31.51,;40.25,-32.25,;40.23,-33.79,;38.87,-34.54,;38.85,-36.08,;40.17,-36.87,;40.14,-38.41,;38.79,-39.15,;38.76,-40.69,;37.41,-41.43,;37.38,-42.97,;36.04,-43.72,;36.01,-45.26,;34.66,-46,;34.63,-47.54,;33.29,-48.29,;31.97,-47.5,;32,-45.96,;33.35,-45.21,;33.37,-43.67,;31.83,-43.67,;32.6,-42.33,;34.72,-42.93,;38.7,-43.77,;40.05,-43.02,;40.08,-41.48,;41.42,-40.74,;42.77,-39.99,;41.52,-36.13,;41.55,-34.59,)|
CO[C@H]1CC[C@H](CNc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC1 |r,wU:5.5,wD:2.1,(52.38,-31.59,;53.7,-32.38,;53.67,-33.92,;52.32,-34.68,;52.3,-36.21,;53.62,-37,;53.59,-38.54,;52.24,-39.28,;52.21,-40.82,;50.86,-41.56,;50.83,-43.1,;49.48,-43.85,;49.46,-45.39,;48.11,-46.14,;48.08,-47.68,;46.73,-48.42,;45.42,-47.63,;45.45,-46.09,;46.79,-45.35,;46.82,-43.8,;45.28,-43.8,;46.05,-42.47,;48.17,-43.06,;52.15,-43.9,;53.5,-43.15,;53.52,-41.61,;54.87,-40.87,;56.22,-40.12,;54.96,-36.26,;54.99,-34.72,)|
FC(F)(F)c1ccncc1CNc1cc(NC2CCOCC2)c(cn1)C#N
FC(F)(F)c1ccncc1CNc1cc(NCC2CCOCC2)c(cn1)C#N
FC(F)(F)c1ccncc1CNc1cc(NCCC2CCOCC2)c(cn1)C#N
NC(=O)[C@@H]1C[C@@H](C1)Nc1cc(NCc2ccccc2C(F)(F)F)ncc1C#N |r,wU:5.7,3.2,(27.88,-5.48,;26.56,-4.69,;26.59,-3.15,;25.22,-5.43,;23.74,-5.01,;23.3,-6.48,;24.79,-6.91,;21.96,-7.23,;21.93,-8.77,;20.58,-9.51,;20.55,-11.05,;19.2,-11.8,;19.18,-13.34,;17.83,-14.08,;17.8,-15.62,;16.45,-16.37,;15.14,-15.58,;15.16,-14.04,;16.51,-13.29,;16.54,-11.75,;15,-11.75,;15.77,-10.41,;17.89,-11,;21.87,-11.85,;23.22,-11.1,;23.24,-9.56,;24.59,-8.82,;25.94,-8.07,)|
NC(=O)[C@H]1C[C@@H](C1)Nc1cc(NCc2ccccc2C(F)(F)F)ncc1C#N |r,wU:5.7,wD:3.2,(41.92,-6.07,;40.6,-5.28,;40.63,-3.74,;39.26,-6.02,;37.78,-5.6,;37.35,-7.07,;38.83,-7.5,;36,-7.82,;35.97,-9.36,;34.62,-10.1,;34.59,-11.64,;33.24,-12.39,;33.22,-13.93,;31.87,-14.67,;31.84,-16.21,;30.49,-16.96,;29.18,-16.17,;29.2,-14.63,;30.55,-13.88,;30.58,-12.34,;29.04,-12.34,;29.81,-11,;31.93,-11.59,;35.91,-12.44,;37.26,-11.69,;37.28,-10.15,;38.63,-9.41,;39.98,-8.66,)|
NC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(NCc2ccccc2C(F)(F)F)ncc1C#N |r,wU:6.9,3.2,(23.15,-9.78,;21.84,-8.98,;21.87,-7.44,;20.49,-9.72,;19.17,-8.92,;17.81,-9.66,;17.79,-11.2,;19.1,-12,;20.45,-11.26,;16.44,-11.94,;16.41,-13.48,;15.06,-14.22,;15.04,-15.76,;13.69,-16.51,;13.66,-18.05,;12.31,-18.79,;12.29,-20.33,;10.94,-21.08,;9.62,-20.29,;9.65,-18.75,;11,-18,;11.02,-16.46,;9.48,-16.46,;10.25,-15.13,;12.37,-15.72,;16.35,-16.56,;17.7,-15.81,;17.73,-14.27,;19.08,-13.53,;20.43,-12.78,)|
NC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wU:6.9,3.2,(38.42,-10.66,;37.11,-9.86,;37.14,-8.32,;35.76,-10.6,;34.44,-9.8,;33.08,-10.54,;33.06,-12.08,;34.37,-12.87,;35.72,-12.14,;31.71,-12.82,;31.68,-14.36,;30.33,-15.1,;30.31,-16.64,;28.96,-17.39,;28.93,-18.93,;27.58,-19.67,;27.56,-21.21,;26.21,-21.96,;24.89,-21.17,;24.92,-19.63,;26.27,-18.88,;26.29,-17.34,;24.75,-17.34,;25.52,-16,;27.64,-16.6,;31.62,-17.44,;32.97,-16.69,;33,-15.15,;34.35,-14.41,;35.69,-13.66,)|
CNC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wU:7.10,4.3,(50.96,-14.24,;51,-12.7,;49.68,-11.9,;49.72,-10.36,;48.33,-12.64,;47.01,-11.84,;45.66,-12.58,;45.64,-14.12,;46.95,-14.92,;48.3,-14.18,;44.29,-14.87,;44.26,-16.41,;42.91,-17.15,;42.88,-18.69,;41.54,-19.44,;41.51,-20.98,;40.16,-21.72,;40.13,-23.26,;38.79,-24.01,;37.47,-23.22,;37.5,-21.68,;38.84,-20.93,;38.87,-19.38,;37.33,-19.38,;38.1,-18.05,;40.22,-18.64,;44.2,-19.49,;45.55,-18.74,;45.57,-17.2,;46.92,-16.45,;48.27,-15.71,)|
CN(C)C(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wU:8.11,5.4,(50.96,-14.24,;51,-12.7,;52.35,-11.96,;49.68,-11.9,;49.72,-10.36,;48.33,-12.64,;47.01,-11.84,;45.66,-12.58,;45.64,-14.12,;46.95,-14.92,;48.3,-14.18,;44.29,-14.87,;44.26,-16.41,;42.91,-17.15,;42.88,-18.69,;41.54,-19.44,;41.51,-20.98,;40.16,-21.72,;40.13,-23.26,;38.79,-24.01,;37.47,-23.22,;37.5,-21.68,;38.84,-20.93,;38.87,-19.38,;37.33,-19.38,;38.1,-18.05,;40.22,-18.64,;44.2,-19.49,;45.55,-18.74,;45.57,-17.2,;46.92,-16.45,;48.27,-15.71,)|
FC(F)(F)c1ccncc1CNc1cc(N[C@H]2CC[C@H](CC2)c2nc[nH]n2)c(cn1)C#N |r,wU:16.16,19.23,(7.52,-15.82,;9.06,-15.82,;8.29,-14.48,;10.41,-15.07,;9.04,-17.36,;7.69,-18.11,;7.66,-19.65,;8.98,-20.44,;10.33,-19.69,;10.35,-18.15,;11.7,-17.41,;11.73,-15.87,;13.08,-15.12,;13.1,-13.58,;14.45,-12.84,;14.48,-11.3,;15.83,-10.55,;15.85,-9.01,;17.21,-8.27,;18.53,-9.07,;18.49,-10.61,;17.15,-11.35,;19.88,-8.33,;20.07,-6.81,;21.58,-6.52,;22.32,-7.88,;21.27,-9,;15.77,-13.63,;15.74,-15.17,;14.39,-15.92,;17.12,-12.89,;18.47,-12.14,)|
FC(F)(F)c1ccncc1CNc1cc(N[C@H]2CC[C@H](CC2)n2cncn2)c(cn1)C#N |r,wU:16.16,19.23,(7.35,-13.31,;8.89,-13.31,;8.12,-11.98,;10.24,-12.57,;8.87,-14.85,;7.52,-15.6,;7.49,-17.14,;8.81,-17.93,;10.16,-17.18,;10.18,-15.64,;11.53,-14.9,;11.56,-13.36,;12.91,-12.61,;12.93,-11.07,;14.28,-10.33,;14.31,-8.79,;15.66,-8.05,;15.68,-6.51,;17.04,-5.77,;18.35,-6.57,;18.32,-8.11,;16.97,-8.84,;19.71,-5.83,;21.09,-6.49,;22.15,-5.37,;21.41,-4.02,;19.9,-4.3,;15.6,-11.12,;15.57,-12.66,;14.22,-13.41,;16.95,-10.38,;18.29,-9.63,)|
O[C@H]1CC[C@H](CC1)Nc1cc(NCc2ccccc2)ncc1C#N |r,wU:1.0,4.7,(13.62,-1.24,;12.28,-2.01,;12.28,-3.55,;10.94,-4.31,;9.61,-3.55,;9.62,-2.01,;10.96,-1.23,;8.28,-4.31,;8.27,-5.85,;6.94,-6.62,;6.94,-8.16,;5.6,-8.92,;5.6,-10.46,;4.26,-11.23,;2.93,-10.46,;1.59,-11.22,;1.59,-12.76,;2.92,-13.54,;4.25,-12.77,;8.26,-8.93,;9.6,-8.17,;9.61,-6.63,;10.94,-5.85,;12.28,-5.09,)|
O[C@H]1CC[C@H](CC1)Nc1cc(NCc2cncnc2C(F)(F)F)ncc1C#N |r,wU:1.0,4.7,(27.41,-1.94,;26.06,-2.7,;26.06,-4.24,;24.73,-5,;23.39,-4.24,;23.4,-2.7,;24.74,-1.92,;22.04,-5.01,;22.03,-6.57,;20.7,-7.34,;20.69,-8.88,;19.36,-9.64,;18.03,-8.85,;16.69,-9.62,;16.68,-11.15,;15.33,-11.93,;14.01,-11.14,;14.02,-9.6,;15.36,-8.84,;15.38,-7.31,;16.88,-6.93,;15.8,-5.82,;14.05,-6.52,;22.02,-9.65,;23.36,-8.88,;23.37,-7.34,;24.7,-6.57,;26.04,-5.81,)|
CC(C)(F)c1ncncc1CNc1cc(N[C@@H]2CC[C@H](O)CC2)c(cn1)C#N |r,wU:19.20,16.16,(31.05,-5.62,;30.29,-6.95,;31.83,-6.94,;28.96,-6.17,;30.28,-8.49,;28.93,-9.25,;28.92,-10.79,;30.24,-11.57,;31.59,-10.8,;31.61,-9.27,;32.94,-8.5,;34.27,-9.29,;35.6,-8.53,;35.61,-6.99,;36.95,-6.22,;36.95,-4.66,;38.3,-3.89,;39.64,-4.65,;40.98,-3.89,;40.97,-2.35,;42.32,-1.59,;39.65,-1.57,;38.31,-2.35,;38.28,-6.99,;38.27,-8.53,;36.94,-9.3,;39.61,-6.22,;40.95,-5.46,)|
O[C@H]1CC[C@H](CC1)Nc1cc(NCc2cncnc2-c2ccccc2)ncc1C#N |r,wU:1.0,4.7,(14.81,-14.87,;13.47,-15.63,;13.47,-17.17,;12.13,-17.93,;10.8,-17.17,;10.81,-15.63,;12.14,-14.86,;9.45,-17.94,;9.44,-19.5,;8.1,-20.27,;8.1,-21.81,;6.76,-22.57,;5.44,-21.79,;4.1,-22.55,;4.08,-24.09,;2.74,-24.86,;1.41,-24.07,;1.43,-22.53,;2.77,-21.78,;2.78,-20.24,;4.13,-19.48,;4.14,-17.94,;2.82,-17.16,;1.47,-17.93,;1.46,-19.46,;9.43,-22.58,;10.77,-21.82,;10.78,-20.28,;12.11,-19.5,;13.45,-18.74,)|
COc1ncncc1CNc1cc(N[C@@H]2CC[C@H](O)CC2)c(cn1)C#N |r,wU:17.18,14.14,(15.03,-19.53,;16.36,-20.31,;16.34,-21.84,;15,-22.6,;14.99,-24.14,;16.31,-24.92,;17.66,-24.15,;17.67,-22.62,;19.01,-21.85,;20.34,-22.64,;21.67,-21.87,;21.68,-20.33,;23.01,-19.56,;23.02,-18.01,;24.37,-17.23,;25.71,-18,;27.04,-17.24,;27.04,-15.7,;28.39,-14.93,;25.72,-14.92,;24.38,-15.69,;24.35,-20.34,;24.34,-21.88,;23,-22.64,;25.68,-19.57,;27.02,-18.8,)|
CC(C)(C)Oc1ncncc1CNc1cc(N[C@@H]2CC[C@H](O)CC2)c(cn1)C#N |r,wU:20.21,17.17,(29.63,-18.06,;30.41,-19.4,;31.18,-18.05,;29.08,-20.16,;31.74,-20.18,;31.73,-21.71,;30.39,-22.47,;30.37,-24.01,;31.7,-24.8,;33.04,-24.03,;33.06,-22.49,;34.39,-21.73,;35.72,-22.51,;37.05,-21.75,;37.06,-20.21,;38.4,-19.44,;38.4,-17.88,;39.75,-17.11,;41.09,-17.87,;42.43,-17.11,;42.42,-15.57,;43.77,-14.81,;41.1,-14.79,;39.76,-15.57,;39.73,-20.21,;39.72,-21.75,;38.39,-22.52,;41.06,-19.44,;42.4,-18.68,)|
O[C@H]1CC[C@H](CC1)Nc1cc(NCc2cncnc2OCC(F)F)ncc1C#N |r,wU:1.0,4.7,(24.61,-26.42,;23.26,-27.18,;23.26,-28.72,;21.93,-29.48,;20.59,-28.71,;20.6,-27.17,;21.94,-26.4,;19.24,-29.49,;19.23,-31.04,;17.9,-31.82,;17.89,-33.36,;16.56,-34.12,;15.23,-33.33,;13.89,-34.1,;13.88,-35.63,;12.53,-36.4,;11.21,-35.62,;11.22,-34.08,;12.56,-33.32,;12.58,-31.79,;11.25,-31,;9.91,-31.77,;8.58,-30.99,;9.91,-33.31,;19.22,-34.13,;20.56,-33.36,;20.57,-31.82,;21.9,-31.05,;23.24,-30.29,)|
CC1(C)C[C@@H](CC(C)(C)[C@@H]1O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wD:9.10,4.11,(16.5,-7.5,;15.98,-6.06,;17.5,-5.78,;14.65,-6.83,;13.31,-6.06,;13.31,-4.52,;14.65,-3.75,;15.63,-2.56,;13.65,-2.57,;15.98,-4.52,;17.31,-3.74,;11.98,-6.83,;11.98,-8.37,;10.65,-9.14,;10.65,-10.68,;9.32,-11.45,;9.32,-12.99,;7.98,-13.75,;7.98,-15.29,;6.64,-16.06,;5.32,-15.29,;5.32,-13.75,;6.64,-12.98,;6.64,-11.44,;5.15,-11.04,;6.25,-9.95,;7.98,-10.67,;11.98,-11.45,;13.32,-10.68,;13.32,-9.14,;14.65,-8.37,;15.98,-7.6,)|
CC1(C)C[C@@H](CC(C)(C)[C@H]1O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wU:9.10,wD:4.11,(27,-8.26,;26.47,-6.82,;27.99,-6.54,;25.14,-7.59,;23.81,-6.82,;23.8,-5.28,;25.14,-4.51,;26.13,-3.33,;24.15,-3.33,;26.47,-5.28,;27.81,-4.51,;22.47,-7.59,;22.47,-9.13,;21.14,-9.9,;21.14,-11.44,;19.81,-12.21,;19.81,-13.75,;18.47,-14.51,;18.47,-16.05,;17.14,-16.82,;15.81,-16.05,;15.81,-14.51,;17.14,-13.74,;17.13,-12.2,;15.64,-11.8,;16.74,-10.71,;18.47,-11.43,;22.47,-12.21,;23.81,-11.44,;23.81,-9.9,;25.14,-9.13,;26.47,-8.36,)|
CC1(C)C[C@@H](CC[C@@H]1O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC1(C)C[C@@H](CC[C@H]1O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC1(C)C[C@H](CC[C@H]1O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC1(C)C[C@H](CC[C@@H]1O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC1(C)C[C@@H](CC[C@@H]1O)Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC1(C)[C@@H](O)C[C@H]1Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC1(C)[C@H](O)C[C@H]1Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC1(C)[C@H](O)C[C@@H]1Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC1(C)[C@@H](O)C[C@@H]1Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC1(C)[C@@H](C[C@@H]1C(N)=O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC1(C)[C@@H](C[C@H]1C(N)=O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC1(C)[C@H](C[C@H]1C(N)=O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC1(C)[C@H](C[C@@H]1C(N)=O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
CC(C)(F)c1ncncc1CNc1ncc(C#N)c(N[C@@H]2C[C@H](O)C2(C)C)n1 |r|
CC1(C)[C@@H](O)C[C@H]1Nc1nc(NCc2cncnc2OCC(F)F)ncc1C#N |r|
CC(F)(F)COc1ncncc1CNc1ncc(C#N)c(N[C@@H]2CC[C@H](O)C(C)(C)C2)n1 |r|
[H][C@@]12C[C@@H](CCCCc3ccccc3)O[C@@](C1)(OCCC(=O)O[C@@H](CO)CC(=O)O2)C(C)C |r|
[H][C@@]12CCC(C)(C)[C@]([H])(C[C@@H](CCCCCCc3ccccc3)OC(=O)C[C@H](CO)OC(=O)C1)O2 |r|
CC(C)[C@H]1N(C)c2ccc(c3[nH]cc(C[C@@H](CO)NC1=O)c23)[C@](C)(CCC=C(C)C)C=C |r,wD:22.25,3.2,15.15,(-1.66,4.38,;-.17,4.77,;.23,6.26,;.92,3.69,;.15,2.36,;-1.34,2.76,;.41,.83,;-1.04,.3,;-1.3,-1.22,;-.12,-2.2,;1.32,-1.67,;2.68,-2.43,;3.63,-1.54,;3.15,-.16,;4.32,.83,;4.59,2.34,;6.07,2.74,;7.16,1.65,;3.82,3.67,;2.37,4.2,;2.37,5.74,;1.59,-.16,;-.52,-3.69,;.97,-3.29,;-2.01,-4.08,;-3.1,-2.99,;-4.59,-3.39,;-5.67,-2.3,;-7.16,-2.7,;-5.28,-.82,;.57,-4.77,;.17,-6.26,)|
CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3[C@](C)(CCC=C(C)C)C=C)N1C)CO
[#6]-[#6](-[#6])-[#6@H]-1-[#7](-[#6])-c2ccc(c3-[#7]-[#6](=O)[C@@]([#8])([#6]-[#6@@H](-[#6]-[#8])-[#7]-[#6]-1=O)c23)[C@]([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]=[#6] |r|
[#6]-[#6](-[#6])-[#6@H]-1-[#7]-c2ccc(c3-[#7]-[#6](=O)[C@@]([#8])([#6]-[#6@@H](-[#6]-[#8])-[#7]-[#6]-1=O)c23)[C@]([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]=[#6] |r|
Oc1ccc2[nH]c3c4[nH]c5ccccc5c4c4CNC(=O)c4c3c2c1
[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6](\[#6])-[#6])-[#6](=O)-[#8]1
[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6](\[#6])-[#6])-[#6](=O)-[#8]1
[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6](/[#6])-[#6])-[#6](=O)-[#8]1
[#6]\[#6](-[#6])=[#6]-1\[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)C([#6])([#6])[#6])[#8]-[#6]-1=O
[#6]\[#6](-[#6])=[#6]-1\[#6]C([#6]-[#8])([#6]-[#8])[#8]-[#6]-1=O
CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F
CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cn(C(C)C)c3cccc(c23)N1C
CC(=O)n1cc2c3c(cccc31)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C2
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC