764 SMILES Strings for Gamma-aminobutyric acid receptor subunit alpha-1

Compound Name
SMILES String
[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 |t:11|
CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
C1CN(CCN1)c1cccc2OCCOc12
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F
CN(C)CCCN1c2ccccc2CCc3c1cccc3
CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3
Clc1cccc(c1)N1CCNCC1
COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl
CCc1c2c3cc(c(cc3[nH]c2cnc1C(=O)OC)OC)OC
CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Cc1cccc2ccc(nc12)N1CCNCC1
CN1CCC[C@H]1c1cc(C)no1 |r|
CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9|
CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 |t:4|
Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21|
Clc1ccc2NC(=O)[C@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21|
O=C1Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1 |c:10|
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|
CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21
CC(C)c1nc(no1)-c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21
CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6|
Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl
NC(=O)c1ncn-2c1CN=C(c1ccccc1Br)c1cc(F)ccc-21 |t:10|
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
CCOC(=O)c1cc2c(cn1)[nH]c1ccccc21
CCCOC(=O)c1cc2c(cn1)[nH]c1ccccc21
COc1ccc(cc1)-n1[nH]c2c3CCCCCc3ncc2c1=O
O=c1n([nH]c2c1cnc1ccccc21)-c1ccccc1
COc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
CNC(=O)c1cc2c(cn1)[nH]c1ccccc21
Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
C(Oc1cccnc1)[C@@H]1CCN1 |r|
Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 |t:6|
OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O |t:2|
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5
CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
CP(O)(=O)CCC=N
NCCCP(=O)=O
NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
C(CC(=O)O)CN
C1=C(ONC1=O)CN
C1CNCCC1S(=O)(=O)O
COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1
O=c1cc(s[nH]1)C1CCNCC1
NCc1cc(=O)[nH]s1
C1CNCC2=C1C(=O)NO2
CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3
C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO
Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
Cc1ccc2oc(cc(=O)c2c1)-c1cccc(Br)c1
CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Cn1c2ccc(F)cc2c2c(cn(-c3ccccc3)c(=O)c12)C(=O)N1CCCC1
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
CNCCC(Oc1ccccc1C)c1ccccc1
CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
NC(CSSCC(N)C(O)=O)C(O)=O
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCSC1=O |r|
CSCC[C@H](C(=O)O)N
C(CS)[C@@H](C(=O)O)N
C([C@H](C(=O)O)N)S(=O)(=O)O
C([C@@H](C(=O)O)N)S
NC(CS(O)=O)C(O)=O
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@H]1CCSC1=O |r|
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
C[C@@H](Cc1ccc2c(c1)OCO2)NC
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1
CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N
ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
COc1ncccc1-c1cc(ccn1)-n1cnc2cc(ccc12)C(C)(C)O
CC(C)(O)c1ccc2n(cnc2c1)-c1ccnc(c1)-c1cccnc1Cl
CC(C)(O)c1ccc2n(cnc2c1)-c1ccnc(c1)-c1ccncc1F
CC(C)(O)c1ccc2n(cnc2c1)-c1ccnc(c1)-c1ccncc1C#N
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Cc1cc(NC(=S)C(C#N)=C(O)C2CC2)ccc1C(F)(F)F |w:10.10|
Cc1cc(NC(=S)C(C#N)=C(O)C2CC2)ccc1F |w:10.10|
Cc1cc(NC(=S)C(C#N)=C(O)C2CC2)ccc1[N+]([O-])=O |w:10.10|
OC(C1CC1)=C(C#N)C(=S)Nc1ccc(cc1)[N+]([O-])=O |w:1.0|
OC(C1CC1)=C(C#N)C(=S)Nc1ccc(SC(F)(F)F)cc1 |w:1.0|
Cc1cc(NC(=S)C(C#N)=C(O)C2CC2)ccc1C#N |w:10.10|
OC(C1CC1)=C(C#N)C(=S)Nc1ccc(cc1)C#N |w:1.0|
OC(C1CC1)=C(C#N)C(=S)Nc1ccc(cc1)S(=O)C(F)(F)F |w:1.0|
OC(C1CC1)=C(C#N)C(=S)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |w:1.0|
Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(cn1)C(=O)NCC1CC1)-c1ccc(C)nc1
CCNC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nc1
CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nc1 |r|
CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(onc2-c2ccc(C)nc2)C2CC2)nc1 |r|
Cc1ccc(cn1)-c1noc(C2CC2)c1COc1ccc(cn1)C(=O)NC1CCOCC1
CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCOCC1)-c1ccc(C)nc1
CC(C)CN1Cc2cc(OCc3c(C)onc3-c3ccc(C)nc3)ncc2C1=O
CN1Cc2cc(OCc3c(C)onc3-c3ccc(C)nc3)ncc2C1=O
CC(C)CNC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nc1
Cc1onc(c1COc1cc2CN(CCO)C(=O)c2cn1)-c1ccc(C)nc1
CCC[C@@H](CO)N1Cc2cc(OCc3c(C)onc3-c3ccc(C)nc3)ncc2C1=O |r|
CCC[C@@H](CO)NC(=O)c1cnc(OCc2c(C)onc2-c2ccc(C)nc2)cn1 |r|
Cc1onc(c1COc1cnc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCS(=O)(=O)C1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(cn1)C(N)=O)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(N)=O)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(cn1)C(=O)N[C@H]1CCS(=O)(=O)C1)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(cn1)C(=O)N[C@@H]1CCS(=O)(=O)C1)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCS(=O)(=O)CC1)-c1ccc(C)nc1
Cc1onc(c1COc1cc2CN(C3CCOCC3)C(=O)c2cn1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1CCCC[C@H]1O)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1CCCC[C@@H]1O)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@@H]1CCCC[C@H]1O)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@@H]1CCCC[C@@H]1O)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@@H]1CCOC[C@H]1O)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)NCCO)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCS(=O)(=O)CC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NCC1CC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC(C)(C)CO)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NCCC#N)-c1ccc(C)nc1
CC(NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1)C(F)(F)F
Cc1onc(c1COc1ccc(nn1)C(=O)NC1COC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCS(=O)(=O)C1)-c1ccc(C)nc1
CCNC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1
CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1
CC(C)CNC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1
Cc1onc(c1COc1ccc(nn1)C(=O)NCC(F)(F)F)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC(C)(C)C)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CC(F)(F)C1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCC(F)(F)CC1)-c1ccc(C)nc1
Cc1ccc(cn1)-c1nocc1COc1ccc(cn1)C(=O)NC1CCOCC1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCOC1)-c1ccc(C)nc1
CNC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1
Cc1onc(c1COc1ccc(nn1)C(=O)N1CC(F)(F)C1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N1CCC(F)(F)C1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NCC1(C)COC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NCC1COC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NCC1(O)COC1)-c1ccc(C)nc1
C[C@H]1COCC[C@H]1NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)N1CCC(F)(F)CC1)-c1ccc(C)nc1
COCC1(CC1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1
COC1CN(C1)C(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1
Cc1onc(c1COc1ccc(nn1)C(=O)N1CC(C)(O)C1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N1CCC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCOC(C)(C)C1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1(CC1)C(F)(F)F)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N1CCOCC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N1CC2(COC2)C1)-c1ccc(C)nc1
Cc1onc(c1COc1cc(C)c(nn1)C(=O)NC1CCOCC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N1CCC11COC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC(C)(C)C(F)(F)F)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N1CC(F)C1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N1CC(O)C1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N1CC(C)(F)C1)-c1ccc(C)nc1
CCOC(=O)C1(CC1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1(CC1)C#N)-c1ccc(C)nc1
Cc1onc(c1COc1nnc(cc1C)C(N)=O)-c1ccc(C)nc1
Cc1onc(c1COc1nnc(cc1C)C(=O)NC1CCOCC1)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)NC1CCS(=O)(=O)CC1)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)NC(C)(C)CO)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)NC1CC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1(C)CCOC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1(C)CC1)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)NC1COC1)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)NCC(F)(F)F)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC(C)(C)CCO)-c1ccc(C)nc1
CCCC(C)(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@@]1(C)CCOC1)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@]1(C)CCOC1)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)NC1(C)COC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N1CC(C1)C#N)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1(CO)CC1)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)NC1CCC(F)(F)CC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1CCOC1)-c1ccc(C)nc1 |r|
CC[C@@H](CC#N)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1 |r|
Cc1onc(c1COc1cnc(cn1)C(=O)N[C@@H]1CCOC1)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1cnc(cn1)C(=O)NCCO)-c1ccc(C)nc1
Cc1onc(c1COc1cc2CN(C3CCS(=O)(=O)CC3)C(=O)c2cn1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc2C(=O)N(Cc2n1)C1CCOCC1)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)NC1CCS(=O)(=O)C1)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)NCC1CC1)-c1ccc(C)nc1
Cc1onc(c1COc1cc2CN(C3CCC(F)(F)CC3)C(=O)c2cn1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1(C)CCOCC1)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)N[C@@H]1CCCOC1)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@@H]1CCCOC1)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CC2(COC2)C1)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)NC1CC2(COC2)C1)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)N[C@H]1CC[C@H](CC1)C(F)(F)F)-c1ccc(C)nc1 |r,wU:17.18,20.25,(3.11,8.18,;1.57,8.18,;.66,9.43,;-.8,8.95,;-.8,7.41,;.66,6.94,;1.06,5.45,;2.55,5.05,;2.95,3.56,;4.44,3.16,;4.83,1.68,;3.74,.59,;2.26,.99,;1.86,2.47,;4.14,-.9,;5.63,-1.3,;3.05,-1.99,;3.45,-3.48,;4.94,-3.88,;5.34,-5.36,;4.24,-6.55,;2.76,-6.05,;2.36,-4.57,;4.62,-8.05,;5,-9.54,;3.13,-8.43,;6.11,-7.67,;-2.14,6.64,;-3.47,7.41,;-4.8,6.64,;-4.8,5.1,;-6.14,4.33,;-3.47,4.33,;-2.14,5.1,)|
Cc1onc(c1COc1cnc(cn1)C(=O)N[C@H]1CC[C@@](C)(O)CC1)-c1ccc(C)nc1 |r,wU:17.18,20.23,wD:20.22,(3.36,7.44,;1.82,7.44,;.92,8.68,;-.55,8.21,;-.55,6.67,;.92,6.19,;1.31,4.7,;2.8,4.31,;3.2,2.82,;4.69,2.42,;5.09,.93,;4,-.16,;2.51,.24,;2.11,1.73,;4.4,-1.64,;5.88,-2.04,;3.31,-2.73,;3.71,-4.22,;5.19,-4.62,;5.59,-6.11,;4.5,-7.2,;4.1,-8.68,;5.59,-8.29,;3.02,-6.8,;2.62,-5.31,;-1.88,5.9,;-3.22,6.67,;-4.55,5.9,;-4.55,4.36,;-5.88,3.59,;-3.22,3.59,;-1.88,4.36,)|
Cc1onc(c1COc1cnc(cn1)C(=O)N[C@H]1CC[C@](C)(O)CC1)-c1ccc(C)nc1 |r,wU:17.18,20.22,wD:20.23,(3.36,7.44,;1.82,7.44,;.92,8.68,;-.55,8.21,;-.55,6.67,;.92,6.19,;1.31,4.7,;2.8,4.31,;3.2,2.82,;4.69,2.42,;5.09,.93,;4,-.16,;2.51,.24,;2.11,1.73,;4.4,-1.64,;5.88,-2.04,;3.31,-2.73,;3.71,-4.22,;5.19,-4.62,;5.59,-6.11,;4.5,-7.2,;5.59,-8.29,;4.1,-8.68,;3.02,-6.8,;2.62,-5.31,;-1.88,5.9,;-3.22,6.67,;-4.55,5.9,;-4.55,4.36,;-5.88,3.59,;-3.22,3.59,;-1.88,4.36,)|
Cc1onc(c1COc1ccc(cn1)C(=O)NC1(C)CCOCC1)-c1ccc(C)nc1
Cc1onc(c1COc1cc2CN(C3CCSCC3)C(=O)c2cn1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)nn1
CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nn2)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)NC1(C)CCSCC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1(C)CCS(=O)(=O)CC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N1CC2(C1)CS(=O)(=O)C2)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)N1CC2(C1)CS(=O)(=O)C2)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1(C)CCCC1)-c1ccc(C)nc1
Cc1onc(c1COc1cnc(cn1)C(=O)NCCCC(F)(F)F)-c1ccc(C)nc1
CC(C)N1CC(C1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1
Cc1onc(c1COc1cc2CN(C3CC4(COC4)C3)C(=O)c2cn1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1(C)CCC1)-c1ccc(C)nc1
CCc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)nc1
CCc1onc(c1COc1ccc(cn1)C(=O)NC1CCS(=O)(=O)CC1)-c1ccc(C)nc1
CCc1onc(c1COc1ccc(nn1)C(=O)NC1CCOCC1)-c1ccc(C)nc1
CCc1onc(c1COc1ccc(nn1)C(=O)NC1(C)COC1)-c1ccc(C)nc1
CCc1onc(c1COc1ccc(nn1)C(=O)NC1CC1)-c1ccc(C)nc1
CCC[C@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nc1 |r|
CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(noc2C(F)F)-c2ccc(C)nc2)nc1 |r|
Cc1ccc(cn1)-c1noc(C(F)F)c1COc1ccc(cn1)C(=O)NC1CCOCC1
Cc1onc(c1COc1ccc(cn1)C(=O)N[C@H]1CCOC[C@@H]1O)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(nc1)C1CC1
CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(nc2)C2CC2)nc1 |r|
Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCS(=O)(=O)CC1)-c1ccc(nc1)C1CC1
Cc1onc(c1COc1ccc(cn1)C(=O)N[C@@H]1CCCC(F)(F)[C@H]1O)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(cn1)C(=O)N[C@@H]1CCCC[C@H]1O)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(cn1)C(=O)N[C@H]1CCCC(F)(F)[C@@H]1O)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(cn1)C(=O)N[C@@H]1CCOC[C@H]1O)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(cn1)C(=O)N[C@H]1CCCC[C@@H]1O)-c1ccc(C)nc1 |r|
CNC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nc1F
COc1ccc(cn1)-c1noc(C)c1COc1ccc(cn1)C(=O)NC1CCOCC1
COc1ccc(cn1)-c1noc(C)c1COc1ccc(cn1)C(=O)NC(C)C
CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(OC)nc2)nc1 |r|
COc1ccc(cn1)-c1noc(C)c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1
CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(nc2)N(C)C)nc1 |r|
COc1cc(OCc2c(C)onc2-c2ccc(C)nc2)ncc1C(=O)NC1CCOCC1
Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1cnc(C)c(F)c1
CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2cnc(C)c(F)c2)nc1
CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2cnc(C)c(F)c2)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1CC[C@](C)(O)CC1)-c1ccc(C)nc1 |r,wU:17.18,20.22,wD:20.23,(3.36,7.44,;1.82,7.44,;.92,8.68,;-.55,8.21,;-.55,6.67,;.92,6.19,;1.31,4.7,;2.8,4.31,;3.2,2.82,;4.69,2.42,;5.09,.93,;4,-.16,;2.51,.24,;2.11,1.73,;4.4,-1.64,;5.88,-2.04,;3.31,-2.73,;3.71,-4.22,;5.19,-4.62,;5.59,-6.11,;4.5,-7.2,;4.1,-8.68,;5.59,-8.29,;3.02,-6.8,;2.62,-5.31,;-1.88,5.9,;-3.22,6.67,;-4.55,5.9,;-4.55,4.36,;-5.88,3.59,;-3.22,3.59,;-1.88,4.36,)|
Cc1onc(c1COc1ccc(nn1)C(=O)NC(C)(CO)CO)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1CC[C@@](C)(O)CC1)-c1ccc(C)nc1 |r,wU:20.22,wD:17.18,20.23,(3.36,7.44,;1.82,7.44,;.92,8.68,;-.55,8.21,;-.55,6.67,;.92,6.19,;1.31,4.7,;2.8,4.31,;3.2,2.82,;4.69,2.42,;5.09,.93,;4,-.16,;2.51,.24,;2.11,1.73,;4.4,-1.64,;5.88,-2.04,;3.31,-2.73,;3.71,-4.22,;2.62,-5.31,;3.02,-6.8,;4.5,-7.2,;4.1,-8.68,;5.59,-8.29,;5.59,-6.11,;5.19,-4.62,;-1.88,5.9,;-3.22,6.67,;-4.55,5.9,;-4.55,4.36,;-5.88,3.59,;-3.22,3.59,;-1.88,4.36,)|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@@H]1CC[C@](O)(C1)C(F)(F)F)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1CC[C@@](O)(C1)C(F)(F)F)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)N1C[C@@H]2C[C@H]1CO2)-c1ccc(C)nc1 |r,TLB:14:16:22.21:19|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@@H]1CC[C@@H](O)C1)-c1ccc(C)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(C)nc1 |r,wU:20.22,wD:17.18,(1.45,5.35,;-.04,4.95,;-1.29,5.85,;-2.53,4.95,;-2.06,3.48,;-.52,3.48,;.25,2.15,;1.79,2.15,;2.56,.82,;4.1,.82,;4.87,-.52,;4.1,-1.85,;2.56,-1.85,;1.79,-.52,;4.87,-3.19,;6.41,-3.19,;4.1,-4.52,;2.56,-4.52,;1.79,-3.19,;.25,-3.19,;-.52,-4.52,;-2.06,-4.52,;.25,-5.85,;1.79,-5.85,;-3.15,2.39,;-4.63,2.79,;-5.72,1.7,;-5.32,.22,;-6.41,-.87,;-3.84,-.18,;-2.75,.91,)|
CO[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1 |r,wU:2.1,wD:5.8,(-2.95,-5.89,;-2.18,-4.55,;-.64,-4.55,;.13,-3.22,;1.67,-3.22,;2.44,-4.55,;1.67,-5.89,;.13,-5.89,;3.98,-4.55,;4.75,-3.22,;6.29,-3.22,;3.98,-1.89,;4.75,-.55,;3.98,.78,;2.44,.78,;1.67,2.12,;.13,2.12,;-.64,3.45,;-.01,4.86,;1.49,5.18,;-1.16,5.89,;-2.49,5.12,;-2.17,3.61,;-3.2,2.47,;-4.71,2.79,;-5.74,1.64,;-5.26,.18,;-6.29,-.97,;-3.75,-.14,;-2.72,1,;1.67,-.55,;2.44,-1.89,)|
Cc1onc(c1COc1ccc(nn1)C(=O)N1CC2(C1)CC(F)(F)C2)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCCC(O)C1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N1C2CC1COC2)-c1ccc(C)nc1
CO[C@@H]1CC[C@@H](CC1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1 |r,wU:5.8,2.1,(5.24,-9.28,;6,-7.94,;5.21,-6.62,;5.91,-5.22,;5.14,-3.89,;3.6,-3.89,;2.83,-5.22,;3.6,-6.55,;2.83,-2.55,;3.6,-1.22,;5.14,-1.22,;2.83,.11,;3.6,1.45,;2.83,2.78,;1.29,2.78,;.52,4.12,;-1.02,4.12,;-1.79,5.45,;-1.17,6.86,;.34,7.18,;-2.31,7.89,;-3.65,7.12,;-3.32,5.61,;-4.36,4.47,;-5.86,4.79,;-6.89,3.64,;-6.42,2.18,;-7.45,1.03,;-4.91,1.86,;-3.88,3,;.52,1.45,;1.29,.11,)|
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCOCC1)-c1ccc(Cl)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1CCOC1)-c1ccc(Cl)nc1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)NC1(C)COC1)-c1ccc(Cl)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CC2(COC2)C1)-c1ccc(Cl)nc1
CO[C@H]1C[C@@H](C1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1 |r,wU:4.6,wD:2.1,(5.68,-8.61,;4.2,-8.18,;3.83,-6.69,;4.62,-5.28,;3.29,-4.51,;2.52,-5.84,;2.89,-3.02,;4.04,-2,;5.5,-2.48,;3.73,-.49,;4.88,.53,;4.56,2.04,;3.1,2.53,;2.79,4.03,;1.33,4.52,;1.01,6.02,;2.05,7.16,;3.59,7.16,;1.29,8.5,;-.22,8.19,;-.39,6.66,;-1.73,5.89,;-3.06,6.67,;-4.4,5.91,;-4.4,4.37,;-5.74,3.6,;-3.07,3.59,;-1.74,4.35,;1.95,1.5,;2.27,-.01,)|
CO[C@@H]1C[C@@H](C1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1 |r,wU:4.6,2.1,(5.68,-8.61,;4.2,-8.18,;3.83,-6.69,;4.62,-5.28,;3.29,-4.51,;2.52,-5.84,;2.89,-3.02,;4.04,-2,;5.5,-2.48,;3.73,-.49,;4.88,.53,;4.56,2.04,;3.1,2.53,;2.79,4.03,;1.33,4.52,;1.01,6.02,;2.05,7.16,;3.59,7.16,;1.29,8.5,;-.22,8.19,;-.39,6.66,;-1.73,5.89,;-3.06,6.67,;-4.4,5.91,;-4.4,4.37,;-5.74,3.6,;-3.07,3.59,;-1.74,4.35,;1.95,1.5,;2.27,-.01,)|
Cc1ccc(nn1)-c1noc(C2CC2)c1COc1ccc(nn1)C(=O)NC1CCOCC1
CO[C@@H]1CC[C@H](C1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CC2(C1)CC(F)(F)C2)-c1ccc(C)nc1
Cc1ccc(cn1)-c1noc(CF)c1COc1ccc(nn1)C(=O)NC1CCOCC1
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1C[C@H](C1)OCC(F)F)-c1ccc(C)nc1 |r,wU:17.18,19.23,(.59,7.95,;-.95,7.95,;-1.85,9.19,;-3.32,8.72,;-3.32,7.18,;-1.85,6.7,;-1.38,5.24,;.13,4.92,;.6,3.45,;-.43,2.31,;.05,.84,;1.56,.52,;2.59,1.67,;2.11,3.13,;2.03,-.94,;1,-2.09,;3.54,-1.26,;4.02,-2.73,;5.39,-3.43,;4.69,-4.8,;3.32,-4.1,;5.16,-6.26,;6.67,-6.58,;7.15,-8.05,;6.12,-9.19,;8.65,-8.37,;-4.65,6.41,;-5.99,7.18,;-7.32,6.41,;-7.32,4.87,;-8.65,4.1,;-5.99,4.1,;-4.65,4.87,)|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1C[C@@H](C1)OCC(F)F)-c1ccc(C)nc1 |r,wU:17.18,wD:19.23,(.59,7.95,;-.95,7.95,;-1.85,9.19,;-3.32,8.72,;-3.32,7.18,;-1.85,6.7,;-1.38,5.24,;.13,4.92,;.6,3.45,;-.43,2.31,;.05,.84,;1.56,.52,;2.59,1.67,;2.11,3.13,;2.03,-.94,;1,-2.09,;3.54,-1.26,;4.02,-2.73,;5.39,-3.43,;4.69,-4.8,;3.32,-4.1,;5.16,-6.26,;6.67,-6.58,;7.15,-8.05,;6.12,-9.19,;8.65,-8.37,;-4.65,6.41,;-5.99,7.18,;-7.32,6.41,;-7.32,4.87,;-8.65,4.1,;-5.99,4.1,;-4.65,4.87,)|
CCO[C@@H]1C[C@@H](C1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1 |r,wU:5.7,3.2,(7.9,-8.62,;7.42,-7.16,;5.92,-6.84,;5.44,-5.37,;6.14,-4,;4.77,-3.3,;4.07,-4.67,;4.29,-1.83,;2.79,-1.51,;1.76,-2.66,;2.31,-.05,;.8,.27,;.33,1.73,;1.36,2.88,;.88,4.34,;-.62,4.66,;-1.1,6.13,;-.19,7.37,;1.35,7.37,;-1.1,8.62,;-2.56,8.14,;-2.56,6.6,;-3.9,5.83,;-5.23,6.6,;-6.57,5.83,;-6.57,4.29,;-7.9,3.52,;-5.23,3.52,;-3.9,4.29,;2.86,2.56,;3.34,1.09,)|
CCO[C@H]1C[C@@H](C1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1 |r,wU:5.7,wD:3.2,(7.9,-8.62,;7.42,-7.16,;5.92,-6.84,;5.44,-5.37,;6.14,-4,;4.77,-3.3,;4.07,-4.67,;4.29,-1.83,;2.79,-1.51,;1.76,-2.66,;2.31,-.05,;.8,.27,;.33,1.73,;1.36,2.88,;.88,4.34,;-.62,4.66,;-1.1,6.13,;-.19,7.37,;1.35,7.37,;-1.1,8.62,;-2.56,8.14,;-2.56,6.6,;-3.9,5.83,;-5.23,6.6,;-6.57,5.83,;-6.57,4.29,;-7.9,3.52,;-5.23,3.52,;-3.9,4.29,;2.86,2.56,;3.34,1.09,)|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1C[C@H](C1)OC(F)F)-c1ccc(C)nc1 |r,wU:17.18,19.23,(1.07,7.37,;-.47,7.37,;-1.38,8.62,;-2.84,8.14,;-2.84,6.6,;-1.38,6.13,;-.9,4.66,;.6,4.34,;1.08,2.88,;.05,1.73,;.53,.27,;2.03,-.05,;3.06,1.09,;2.59,2.56,;2.51,-1.51,;1.48,-2.66,;4.02,-1.83,;4.49,-3.3,;5.86,-4,;5.16,-5.37,;3.79,-4.67,;5.64,-6.84,;7.15,-7.16,;7.62,-8.62,;8.18,-6.01,;-4.18,5.83,;-5.51,6.6,;-6.84,5.83,;-6.84,4.29,;-8.18,3.52,;-5.51,3.52,;-4.18,4.29,)|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1C[C@@H](C1)OC(F)F)-c1ccc(C)nc1 |r,wU:17.18,wD:19.23,(1.07,7.37,;-.47,7.37,;-1.38,8.62,;-2.84,8.14,;-2.84,6.6,;-1.38,6.13,;-.9,4.66,;.6,4.34,;1.08,2.88,;.05,1.73,;.53,.27,;2.03,-.05,;3.06,1.09,;2.59,2.56,;2.51,-1.51,;1.48,-2.66,;4.02,-1.83,;4.49,-3.3,;5.86,-4,;5.16,-5.37,;3.79,-4.67,;5.64,-6.84,;7.15,-7.16,;7.62,-8.62,;8.18,-6.01,;-4.18,5.83,;-5.51,6.6,;-6.84,5.83,;-6.84,4.29,;-8.18,3.52,;-5.51,3.52,;-4.18,4.29,)|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1C[C@@H](C1)OC1CC1)-c1ccc(C)nc1 |r,wU:17.18,wD:19.23,(.85,7.16,;-.69,7.16,;-1.59,8.4,;-3.06,7.93,;-3.06,6.39,;-1.59,5.91,;-1.12,4.45,;.39,4.13,;.86,2.66,;-.17,1.52,;.31,.05,;1.82,-.27,;2.85,.88,;2.37,2.34,;2.29,-1.73,;1.26,-2.88,;3.8,-2.05,;4.27,-3.52,;5.65,-4.22,;4.95,-5.59,;3.57,-4.89,;5.42,-7.05,;6.93,-7.37,;8.07,-8.4,;8.39,-6.9,;-4.39,5.62,;-5.73,6.39,;-7.06,5.62,;-7.06,4.08,;-8.39,3.31,;-5.73,3.31,;-4.39,4.08,)|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1C[C@H](C1)OC1CC1)-c1ccc(C)nc1 |r,wU:17.18,19.23,(.85,7.16,;-.69,7.16,;-1.59,8.4,;-3.06,7.93,;-3.06,6.39,;-1.59,5.91,;-1.12,4.45,;.39,4.13,;.86,2.66,;-.17,1.52,;.31,.05,;1.82,-.27,;2.85,.88,;2.37,2.34,;2.29,-1.73,;1.26,-2.88,;3.8,-2.05,;4.27,-3.52,;5.65,-4.22,;4.95,-5.59,;3.57,-4.89,;5.42,-7.05,;6.93,-7.37,;8.07,-8.4,;8.39,-6.9,;-4.39,5.62,;-5.73,6.39,;-7.06,5.62,;-7.06,4.08,;-8.39,3.31,;-5.73,3.31,;-4.39,4.08,)|
CC1(COC1)NC(=O)c1ccc(OCc2c(onc2-c2ccc(Cl)nc2)C2CC2)nn1
Clc1ccc(cn1)-c1noc(C2CC2)c1COc1ccc(nn1)C(=O)NC1CC2(COC2)C1
Clc1ccc(cn1)-c1noc(C2CC2)c1COc1ccc(nn1)C(=O)N[C@H]1CCOC1 |r|
Cc1ccc(cn1)-c1noc(C2CC2)c1COc1ccc(nn1)C(=O)NC1(C)COC1
Cc1ccc(cn1)-c1noc(C2CC2)c1COc1ccc(nn1)C(=O)NC1CC2(COC2)C1
Cc1ccc(cn1)-c1noc(C2CC2)c1COc1ccc(nn1)C(=O)N[C@H]1CCOC1 |r|
Cc1ccc(cn1)-c1noc(C2CC2)c1COc1ccc(nn1)C(=O)NC1CCOCC1
Cc1ccc(cn1)-c1noc(CF)c1COc1ccc(nn1)C(=O)NC1(CC1)C(F)(F)F
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCOCC1)-c1ccc(nc1)C(F)(F)F
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1CC2CCC1O2)-c1ccc(C)nc1 |r,THB:16:17:20.21:23|
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCCOCC1)-c1ccc(C)nc1
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1C[C@H]2CC[C@H]1O2)-c1ccc(C)nc1 |r,THB:16:17:20.21:23|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1O2)-c1ccc(C)nc1 |r,THB:16:17:20.21:23|
CCO[C@@H]1CC[C@H](C1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1 |r|
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@@H]1CC[C@H](C1)OCC(F)F)-c1ccc(C)nc1 |r|
Cc1ccc(nn1)-c1noc(CF)c1COc1ccc(nn1)C(=O)NC1CCOCC1
Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCOCC1)-c1ccc(C)nn1
Cc1onc(c1COc1ccc(nn1)C(=O)N[C@H]1CC[C@@H](CC1)OCC(F)F)-c1ccc(C)nc1 |r,wU:20.25,wD:17.18,(.97,8.49,;-.57,8.49,;-1.34,9.82,;-2.84,9.5,;-3,7.97,;-1.6,7.34,;-1.2,5.85,;.29,5.45,;.69,3.97,;-.4,2.88,;-0,1.39,;1.48,.99,;2.57,2.08,;2.18,3.57,;1.88,-.5,;.79,-1.58,;3.37,-.89,;3.77,-2.38,;2.68,-3.47,;3.08,-4.96,;4.57,-5.36,;5.66,-4.27,;5.26,-2.78,;4.97,-6.84,;6.45,-7.24,;6.85,-8.73,;5.76,-9.82,;8.34,-9.13,;-4.34,7.2,;-5.67,7.97,;-7.01,7.2,;-7.01,5.66,;-8.34,4.89,;-5.67,4.89,;-4.34,5.66,)|
CCO[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nc2)nn1 |r,wU:3.2,wD:6.9,(7.59,-9.27,;7.2,-7.79,;5.71,-7.39,;5.31,-5.9,;3.82,-5.5,;3.42,-4.01,;4.51,-2.93,;6,-3.32,;6.4,-4.81,;4.11,-1.44,;2.63,-1.04,;1.54,-2.13,;2.23,.45,;.74,.85,;.34,2.33,;1.43,3.42,;1.03,4.91,;-.45,5.31,;-.85,6.8,;.18,7.94,;1.72,7.94,;-.59,9.27,;-2.1,8.95,;-2.26,7.42,;-3.59,6.65,;-4.93,7.42,;-6.26,6.65,;-6.26,5.11,;-7.59,4.34,;-4.93,4.34,;-3.59,5.11,;2.92,3.02,;3.32,1.54,)|
COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](c4cc(CO)on4)[C@@]3(C)CC[C@H]21 |r|
COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](c4ccon4)[C@@]3(C)CC[C@H]21 |r|
COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](c4ccno4)[C@@]3(C)CC[C@H]21 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@]34C)[C@@H]1CC[C@@H]2c1cc(CO)on1 |r|
COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](c4cc(CO)on4)[C@@]3(C)CC[C@H]21 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2c1cc(CO)on1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2c1ccon1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@]34C)[C@@H]1CC[C@@H]2c1ccon1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@]34C)[C@@H]1CC[C@@H]2c1ccno1 |r|
COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](c4cn5ccccc5n4)[C@@]3(C)CC[C@H]21 |r|
COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](c4ccno4)[C@@]3(C)CC[C@H]21 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2c1cn2ccccc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@]34C)[C@@H]1CC[C@@H]2c1cn2ccccc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2c1cn2ccccc2n1 |r|
COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](c4ccon4)[C@@]3(C)CC[C@H]21 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2c1ccno1 |r|
COC[C@]12CC[C@@](C)(O)C[C@@H]1CCC1[C@@H]3CC[C@H](c4cn5ccccc5n4)[C@@]3(C)CC[C@H]21 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2ccccc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2ccccc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2ncccc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2ncccc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2CCCCc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2CCCCc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2ccccc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2ccccc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2cc(F)ccc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2cc(F)ccc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2cccnc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2cccnc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2ccncc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2ccc(F)cc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2ccncc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2cnccc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2ccncc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2ccc(F)cc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2ncccc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2cccnc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2cccnc12 |r|
Cn1c(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)nc2ccccc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2ccccc2c1O |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2cc(Cl)ccc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2ccc(Cl)cc12 |r|
COc1ccc2nn(CC(=O)[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C[C@](C)(O)CC[C@@H]6[C@H]5CC[C@]34C)nc2c1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2cc(F)c(F)cc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc(Cl)c2ccccc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@](O)(CF)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2ncccc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@](O)(CF)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2ncccc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2ncc(Cl)cc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2cc(Cl)cnc2n1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2cc(Cl)cnc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2ccccc12 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2ccccc2n1 |r|
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Cc1ccnc(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1cccnc1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)nccc2Br)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cncc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1cncc(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nc(Nc2ncc(s2)C(=O)Nc2cccnc2C)cc(n1)N1CCN(CCO)CC1
Cc1csc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nn(C)c(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1noc(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(Cl)ccnc2C)nc(C)n1
Cc1nc(NCCO)cc(Nc2ncc(s2)C(=O)Nc2c(Cl)ccnc2C)n1
Cc5nc(Nc3ncc(C(=O)NC1CN2CCC1CC2)s3)cc(N4CCN(CCO)CC4)n5
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)nccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)C3=CC[C@]12C
C[C@@]1(O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(=O)Cn5cc(C#N)cn5)CC[C@H]4[C@@H]3CC[C@H]2C1
C[C@@]1(O)CC[C@]2(C)C3=CC[C@]4(C)[C@H](C(=O)Cn5cc(C#N)cn5)CC[C@H]4[C@@H]3CC[C@H]2C1
Cc1nnn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)C4=CC[C@]23C)n1
Cc1nnnn1CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)C3=CC[C@]12C
C[C@@]1(O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(=O)Cn5ccnn5)CC[C@H]4[C@@H]3CC[C@H]2C1
C[C@@]1(O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(=O)Cn5nccn5)CC[C@H]4[C@@H]3CC[C@H]2C1
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@]4(C)C3=CC[C@]12C
C[C@@]1(O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(=O)Cn5cc(C#N)cn5)CC[C@H]4[C@@H]3CC[C@@H]2C1
Cc1nnn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@]5(C)C4=CC[C@]23C)n1
Cc1nnnn1CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@]4(C)C3=CC[C@]12C
C[C@@]1(O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(=O)Cn5ccnn5)CC[C@H]4[C@@H]3CC[C@@H]2C1
C[C@@]1(O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(=O)Cn5nccn5)CC[C@H]4[C@@H]3CC[C@@H]2C1
CCOC[C@@]1(O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@H]2C1
CCOC[C@@]1(O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1
COC[C@@]1(O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1
COC[C@@]1(O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(=O)Cn5cc(C#N)cn5)CC[C@H]4[C@@H]3CC[C@@H]2C1
C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1
C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
CC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@](C)(O)Cn4cc(C#N)cn4)[C@@]3(C)CC[C@@H]12
CC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@](C)(O)Cn4cc(C#N)cn4)[C@@]3(C)CC[C@@H]12
CC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@](C)(Cn4cc(C#N)cn4)OC)[C@@]3(C)CC[C@@H]12
CC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@](C)(Cn4cc(C#N)cn4)OC)[C@@]3(C)CC[C@@H]12
CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1
CCC[C@@]1(O)CC[C@H]2[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
CCC[C@@]1(O)CC[C@H]2[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1
CC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
CC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1
CC[C@@]1(O)CC[C@H]2[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
CC[C@@]1(O)CC[C@H]2[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1
CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1
CCC[C@@]1(O)CC[C@H]2[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
COC[C@@]1(O)CC[C@H]2[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
COC[C@@]1(O)CC[C@H]2[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1
C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(F)(F)Cn4cc(C#N)cn4)CC[C@@H]32)C1
CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2ccc(C#N)n2)C1
CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2ccc(C#N)n2)C1
CCOC[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
CCOC[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1
CCC[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
CCC[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1
C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4(Cn5cc(C#N)cn5)COC4)CC[C@@H]32)C1
COC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
COC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1
CC(=O)c1cnn(C[C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@@]32C)c1
COC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(Cn2cc(C#N)cn2)OC)C1
COC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(Cn2cc(C#N)cn2)OC)C1
CC[C@H]1C[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C[C@]1(C)O
CC[C@H]1C[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C[C@]1(C)O
CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(Cn2cc(C#N)cn2)OC)C1
CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(Cn2cc(C#N)cn2)OC)C1
COC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(F)(F)Cn4cc(C#N)cn4)CC[C@@H]32)C1
C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4(Cn5cc(C#N)cn5)CC4)CC[C@@H]32)C1
COC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4(Cn5cc(C#N)cn5)COC4)CC[C@@H]32)C1
CC(C)(Cn1cc(C#N)cn1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C
CC[C@]12CC[C@](O)(COC)C[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@](C)(O)Cn4cc(C#N)cn4)[C@@]3(C)CC[C@@H]12
CC[C@]12CC[C@](O)(COC)C[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@](C)(O)Cn4cc(C#N)cn4)[C@@]3(C)CC[C@@H]12
CCC[C@@]1(O)CC[C@@]2(CC)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@](C)(O)Cn5cc(C#N)cn5)[C@@]4(C)CC[C@@H]32)C1
CCC[C@@]1(O)CC[C@@]2(CC)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)Cn5cc(C#N)cn5)[C@@]4(C)CC[C@@H]32)C1
C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3[C@H](C3CC3)C[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1
C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3[C@H](C3CC3)C[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
C[C@@H]1C[C@H]([C@](C)(O)Cn2cc(C#N)cn2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@@H]43)[C@H]12
C[C@@H]1C[C@H]([C@@](C)(O)Cn2cc(C#N)cn2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@@H]43)[C@H]12
C[C@H]1C[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C[C@]1(C)O
C[C@H]1C[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C[C@]1(C)O
C[C@@H]1C[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C[C@]1(C)O
C[C@@H]1C[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C[C@]1(C)O
COC[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(Cn2cc(C#N)cn2)OC)C1
COC[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(Cn2cc(C#N)cn2)OC)C1
COC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)(C)Cn4cc(C#N)cn4)CC[C@@H]32)C1
C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(C#N)Cn2cc(C#N)cn2)C1
COC[C@H]1C[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C[C@]1(C)O
COC[C@H]1C[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C[C@]1(C)O
COC[C@@H]1C[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C[C@]1(C)O
COC[C@@H]1C[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C[C@]1(C)O
CO[C@@H]1C[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C[C@]1(C)O
CO[C@@H]1C[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C[C@]1(C)O
CC1=NN=C(c2cc3c(cccc3s2)C(F)(F)F)c2cc3oc(=O)[nH]c3cc2C1 |t:1,3|
CCCCNC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
COCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Cc1c(F)c(Nc2ccc(cn2)-c2cn(C)cn2)cc2n(CC3CC3)cnc12
C[C@H]1N=C(c2ccccc2F)c2cc(ccc2-n2cnc(C(=O)NC3CC3)c12)C#C |r,t:2|
Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21
FC(F)c1ncn-2c1Cn1ncnc1-c1cc(Br)ccc-21
Cc1onc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)-c1ccc(F)cc1
Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C
CCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(OC)ccc1OC
Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
C[C@H]1N=C(c2ccccc2F)c2cc(ccc2-n2cnc(C(=O)N(C)C)c12)C#C |r,t:2|
C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1 |(.38,-2.64,;-.97,-1.89,;-.97,-.33,;.37,.41,;.37,1.98,;1.5,2.99,;.89,4.4,;-.62,4.25,;-.97,2.73,;-2.28,1.95,;-3.63,2.65,;-2.98,1.21,;-4.57,1.21,;-3.61,-.36,;-4.96,.41,;-4.96,1.95,;-2.28,.41,;2.99,2.58,;3.39,1.12,;4.86,.72,;5.96,1.8,;5.54,3.29,;4.07,3.69,;.38,-4.18,;-.97,-4.95,;-.97,-6.49,;.37,-7.26,;1.71,-6.49,;1.69,-4.95,)|
CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cccc1C#N |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)|
CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
CCCNC(=O)c1nnc2c(cccc2c1N)-c1c(F)cccc1OC |(3.52,-21.84,;2.19,-22.61,;.85,-21.84,;-.48,-22.61,;-1.81,-21.84,;-1.81,-20.3,;-3.15,-22.61,;-3.16,-24.17,;-4.5,-24.95,;-5.84,-24.18,;-7.18,-24.95,;-8.51,-24.18,;-8.51,-22.63,;-7.18,-21.86,;-5.85,-22.63,;-4.51,-21.84,;-4.52,-20.3,;-7.18,-26.49,;-5.85,-27.25,;-4.52,-26.47,;-5.85,-28.78,;-7.19,-29.56,;-8.52,-28.78,;-8.52,-27.25,;-9.85,-26.47,;-9.84,-24.93,)|
CNC(=O)c1ncn-2c1[C@@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |r,t:12|
CCC(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
O=c1[nH]c2CCN(Cc3ccccc3)Cc2c2nc(cn12)-c1ccccc1-c1cccs1
COc1cccc(c1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Fc1ccc(cc1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Fc1ccc(F)c(c1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Fc1cccc(c1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Fc1ccc(-c2cn3c(n2)c2CN(Cc4ccccc4)CCc2[nH]c3=O)c(F)c1
Cc1ccccc1C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Fc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Fc1ccccc1-c1cn2c(n1)c1CN(CC=C)CCc1[nH]c2=O
Fc1cccc(c1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
COc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
CCCCN1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Fc1ccccc1-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Fc1ccccc1-c1cn2c(n1)c1CN(Cc3cccs3)CCc1[nH]c2=O
Fc1ccccc1C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Fc1ccccc1-c1cn2c(n1)c1CN(CC3CC3)CCc1[nH]c2=O
Cc1ccc(cc1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
COc1ccc(cc1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Fc1ccc(cc1F)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Fc1ccccc1-c1cn2c(n1)c1CN(Cc3cnc[nH]3)CCc1[nH]c2=O
Cc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Fc1ccccc1-c1cn2c(n1)c1CN(Cc3cccnc3)CCc1[nH]c2=O
O=c1[nH]c2CCN(Cc3ccccc3)Cc2c2nc(cn12)-c1ccccc1
Fc1ccccc1-c1cn2c(n1)c1CN(Cc3ccncc3)CCc1[nH]c2=O
Fc1ccccc1-c1cn2c(n1)c1CN(CC3CCCCC3)CCc1[nH]c2=O
CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21
CCCC(=O)c1cc2c(cn1)[nH]c1ccccc21
S=C=Nc1cc2c(cn1)[nH]c1ccccc21
COC(=O)c1cc2c(cn1)[nH]c1ccc(NCc3ccccc3)cc21
CCOC(=O)c1ncc2[nH]c3ccccc3c2c1COC
CCOC(=O)c1ncc2[nH]c3ccc(O)cc3c2c1COC
CCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1COC
CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1
CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC
COCc1c(ncc2[nH]c3ccc(OCc4ccccc4)cc3c12)C(=O)OC(C)C
CCc1c(nc(C)c2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC
CCOC(=O)c1nc(C)c2[nH]c3cc(OC)c(OC)cc3c2c1CC
CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C
CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc21)c1ccccc1
c1ccc2c(c1)[nH]c1cnc3c4ccccc4[nH]c3c21
Clc1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c12
COc1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c12
c1ccc2c(c1)[nH]c1cnc3c4cccnc4[nH]c3c21
c1ccc2c(c1)[nH]c1cnc3c4ccncc4[nH]c3c21
O=c1n(Cc2ccccn2)c2ccccc2n2cncc12
O=c1n(Cc2cccnc2)c2ccccc2n2cncc12
O=c1n(Cc2cnccn2)c2ccccc2n2cncc12
O=c1n(Cc2cncnc2)c2ccccc2n2cncc12
CN1C(=O)COc2cc(Cn3c4ccccc4n4cncc4c3=O)ccc12
Cc1cc(Cn2c3ccccc3n3cncc3c2=O)no1
Cn1cc(Cn2c3ccccc3n3cncc3c2=O)cn1
Cc1ccncc1Cn1c2ccccc2n2cncc2c1=O
Cc1cncc(Cn2c3ccccc3n3cncc3c2=O)c1
Cc1ccc(Cn2c3ccccc3n3cncc3c2=O)cn1
Cc1ncc(Cn2c3ccccc3n3cncc3c2=O)cn1
Cc1ncn2c1c(=O)n(Cc1ccccn1)c1ccccc21
Cc1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc21
O=c1n(Cc2ccccn2)c2ccccc2n2cnc(CC3CC3)c12
Clc1ncn2c1c(=O)n(Cc1ccccn1)c1ccccc21
CCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc21
OCc1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc21
Clc1cccc2n(Cc3cccnc3)c(=O)c3cncn3c12
Cc1cccc2n(Cc3cccnc3)c(=O)c3cncn3c12
Brc1ccc2c(c1)n(Cc1cccnc1)c(=O)c1cncn21
Clc1ccc2c(c1)n(Cc1cccnc1)c(=O)c1cncn21
COc1ccc2c(c1)n(Cc1cccnc1)c(=O)c1cncn21
CC(C)(C)c1ccc2c(c1)n(Cc1cccnc1)c(=O)c1cncn21
Clc1cc(Cl)c2c(c1)n(Cc1cccnc1)c(=O)c1cncn21
COc1cc(Cl)c2c(c1)n(Cc1cccnc1)c(=O)c1cncn21
COc1cc(Cl)c2c(c1)n(Cc1cnccc1C)c(=O)c1cncn21
CCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1cccc(Cl)c21
Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
O=c1c(Cc2ccccc2)c[nH]c2c(cnn12)-c1ccccn1
C[C@H](c1ccccc1)n1cncc1C(=O)N=[N+]=[N-] |r|
CCOC(=O)c1cncn1[C@H](C)c2ccccc2
CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=C=S
Sc1nnc(o1)C1CCNCC1
NCc1n[nH]c(=O)o1
Fc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
[O-][N+](=O)c1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
[O-][N+](=O)c1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(cc23)[N+]([O-])=O)cc1
COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(cc23)[N+]([O-])=O)cc1
C[C@@H](NC(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1 |r|
C[C@@H](NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O)c1ccccc1 |r|
O=C(N[C@@H]1CCc2ccccc12)C(=O)c1c[nH]c2ccccc12 |r|
[O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)N[C@@H]3CCc4ccccc34)c2c1 |r|
Fc1ccc2C(CCc2c1)NC(=O)C(=O)c1c[nH]c2ccccc12
[O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NC3CCc4cc(F)ccc34)c2c1
[O-][N+](=O)c1ccc2C(CCc2c1)NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
COc1ccc2C(CCc2c1)NC(=O)C(=O)c1c[nH]c2ccccc12
COc1ccc2C(CCc2c1)NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Cc1ccc2nc(cc(O)c2c1)-c1cc(Cc2ccccc2)ccc1O
Cc1ccc2oc(cc(=O)c2c1)-c1cc(Cc2ccccc2)ccc1O
Cc1ccc2nc(cc(O)c2c1)-c1cc(Br)ccc1O
Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl
Fc1ccccc1-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl
Clc1ccccc1COc1n(nc2c1cnc1ccccc21)-c1ccc2OCOc2c1
Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCc1ccccc1Cl
Clc1ccc(cc1)-n1nc2c3CCCCCc3ncc2c1OCc1ccccc1Cl
CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(nc3c2C1)-c1ccc(Cl)cc1
Clc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1
Fc1ccccc1COc1n(nc2c3CCCCc3ncc12)-c1ccc(Cl)cc1
Fc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1
Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCC1CC1
Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCC1CC1
Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1Oc1ccccc1Cl
Clc1ccc(cc1)-n1nc2c(cnc3ccc(cc23)-n2ccnc2)c1OCC1CC1
Cc1cc(nn(CCCC(O)=O)c1=N)-c1ccccc1
N=c1ccc(nn1Cc1cc(=O)[nH]o1)-c1ccsc1
N=c1ccc(nn1Cc1cc(=O)[nH]o1)-c1ccccc1
Cn1c2c(CCl)ncn2c2ccc(Cl)cc2c1=O
CCCCCc1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
CCOCc1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Cn1c2c(ncn2c2ccc(cc2c1=O)C#C[Si](C)(C)C)C(=O)OC(C)(C)C
CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C[Si](C)(C)C
CCOC(=O)c1ncn-2c1C1CCCN1C(=O)c1cc(ccc-21)C#C[Si](C)(C)C
CCOC(=O)c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C[Si](C)(C)C |r|
CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)N=[N+]=[N-]
CCOC(=O)C1=C2N(CN1)c1ccc(F)cc1C(=O)N2C |t:5|
CCOC(=O)C1=NCN2C1CN(C)C(=O)c1cc(CC)ccc21 |t:5|
CCCOc1cc2c(cn1)[nH]c1ccccc21
CCOc1cc2c(cn1)[nH]c1ccccc21
CCOC(=O)c1ncc2[nH]c3cc(OC)c(OC)cc3c2c1CC
CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1ccc(Cl)cc1
CC(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:5|
CN1c2ccccc2C(=NCC1=O)c1ccccc1 |c:9|
Cc1nn(Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c(C)c1Br
Nc1c(sc2ccccc12)C(=O)c1ccc(Cl)cc1
CSc1nccc(n1)-c1ccc(s1)S(=O)(=O)Nc1ccc(Cl)cc1
CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#C |c:9|
CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1cccc(c1)[N+]([O-])=O
CSC1SC(C2CCCC(=O)C12)C(=O)c1ccc(Cl)cc1
CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C
CN1CC2N(CN=C2C(=O)OC(C)(C)C)c2ccc(cc2C1=O)C#C[Si](C)(C)C |c:6|
Cn1c2c(ncn2c2ccc(Cl)cc2c1=O)C(=O)OC(C)(C)C
Cn1c2c(ncn2c2ccc(Cl)cc2c1=O)C(=O)OCC1CC1
CC(=O)c1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
CCCCC(=O)c1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Cn1c2c(CO)ncn2c2ccc(Cl)cc2c1=O
CCc1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
CN1C(=O)NC(=O)[C@@](CC=C)(C1=O)c1cccc(c1)C1(N=N1)C(F)(F)F |r,c:22|
CN1C(=O)NC(=O)[C@](CC=C)(C1=O)c1cccc(c1)C1(N=N1)C(F)(F)F |r,c:22|
CCC[C@H](C)C1(C(=O)NC(=O)NC1=O)CC
Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O
COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11|
COc1cccc(F)c1C1=NCc2cnc(Nc3ccc(cc3)C(O)=O)nc2-c2ccc(Cl)cc12 |t:10|
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
O=c1c(c[nH]c2c(cnn12)-c1ccccn1)-c1ccsc1