1463 SMILES Strings for Nitric oxide synthase, endothelial

Compound Name
SMILES String
N=C(Nc1cccc(COC[C@H]2C[C@@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|
N=C(Nc1cccc(COC[C@@H]2C[C@@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|
N=C(Nc1cccc(CCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1
CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1
CNCCN(C1CC1)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
Cc1nccn1Cc1ccccc1
NC[C@H](COCc1cccc(NC(=N)c2cccs2)c1)OCc1cccc(NC(=N)c2cccs2)c1 |r|
N=C(Nc1cccc(OCCOc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
N=C(Nc1cccc(COC2CCNC2)c1)c1cccs1
C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Nc1nccc2ccccc12
O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
NCC[C@@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|
NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:12.11|
NCCNC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:10.9|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O |w:5.4|
NCCN(O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|
NCCN(N)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N(O)[C@H]1CN[C@@H](C1)C(N)=O |w:5.4|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C[C@@H](O)CCCO |w:5.4|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C[C@H](O)CCCO |w:5.4|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C[C@@H](O)CCO |w:5.4|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C[C@H](O)CCO |w:5.4|
NCCC[C@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:12.11|
NCCC[C@@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:12.11|
NCC[C@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|
Nc1cccc(C[C@H]2CNC[C@H]2NCCCO)n1 |r|
NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 |r|
O=C(N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1)c1ccco1
Fc1cccc2c(CN(C(=O)c3ccco3)c3ccccc3)cc(=O)[nH]c12
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1Cl
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccc(Cl)cc1
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(F)c1
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(c1)C#N
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(C)c1
COc1cccc(c1)N(Cc1cc(=O)[nH]c2c(F)cccc12)C(=O)c1scnc1C
Fc1cccc2c(CN(C(=O)c3cncs3)c3cccc(Cl)c3)cc(=O)[nH]c12
Cc1ncccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Cc1cnccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Cc1cccnc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Fc1cccc2c(CN(C(=O)C3CCCC3)c3cccc(Cl)c3)cc(=O)[nH]c12
CC(C)C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(Cl)cccc12)c1cccc(Cl)c1
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1
Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)c(F)ccc12)c1cccc(Cl)c1
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2cc(F)ccc12)c1cccc(Cl)c1
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccc(F)cc12)c1cccc(Cl)c1
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2cccc(F)c12)c1cccc(Cl)c1
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Cc1ncsc1C(=O)N(Cc1c(F)c(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Cc1ncsc1C(=O)N(Cc1cncc2c(F)c(F)ccc12)c1cccc(Cl)c1
NC1=NC(Nc2cccc(F)c12)c1cccs1 |t:1|
NC1=NC(CCNC(=O)c2ccoc2)Nc2c(F)ccc(F)c12 |t:1|
NCc1ccc(cc1)C(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=N2 |c:28|
CCN1c2cccc(F)c2C(N)=NC11CCN(CC1)C(=O)c1ccc(cc1)C#N |c:12|
Cc1cc(N)nc(CCNC(=O)c2ccc(cc2)C#N)c1
CCOC(=O)N1CCC(CC1)Nc1cc(Cl)ccn1
C[C@H]1CN=C(N)c2sccc2O1 |t:3|
CCC[C@@H]1COc2ccsc2C(N)=N1 |c:13|
NC1=N[C@H](COc2ccc3CCNCc3c2)COc2ccsc12 |t:1|
ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0|
CN(C)CCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:14.15|
CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18|
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4|
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4|
CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18|
CN1CCC(=CC1)c1c[nH]c2ccc(CN=C(N)c3cccs3)cc12 |w:15.15,c:4|
NC(=Nc1ccc2[nH]cc(CCCN3CCOCC3)c2c1)c1cccs1 |w:2.2|
CN(C)CCCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:15.16|
CN(C)CCc1c[nH]c2ccc(CN=C(N)c3cccs3)cc12 |w:13.12|
CCN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:17.19|
CN1CCC(=CC1)c1c[nH]c2ccc(NC(=S)NC(=O)c3ccccc3)cc12 |c:4|
CCSC(N)=Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |w:5.5,t:13|
NC(=Nc1ccc2[nH]cc(C3CCN(CC3)C(=O)c3ccccc3)c2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2[nH]cc(-c3ccncc3)c2c1)c1cccs1 |w:2.2|
CSC(N)=Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |w:4.4,t:12|
NC(=Nc1ccc2[nH]cc(C3CCN(CC3)C(=N)c3cccs3)c2c1)c1cccs1 |w:2.2|
CNC1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:17.19,(6.85,4.57,;5.37,4.17,;4.97,2.68,;6.06,1.59,;5.66,.1,;4.17,-.29,;3.08,.8,;3.48,2.28,;3.77,-1.78,;4.68,-3.03,;3.77,-4.27,;2.31,-3.8,;.97,-4.57,;-.36,-3.8,;-.36,-2.26,;.97,-1.49,;2.31,-2.26,;-1.69,-1.49,;-3.03,-2.26,;-3.03,-3.8,;-4.36,-1.49,;-4.84,-.02,;-6.38,-.02,;-6.85,-1.49,;-5.61,-2.39,)|
NC(=Nc1ccc2[nH]cc(C3CCNCC3)c2c1)c1cccs1 |w:2.2|
CN1C2CCC1C=C(C2)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:18.21,c:7,TLB:0:1:3.4:7.8.6|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:16.18|
CNC1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:17.19,c:5|
CN1CCC[C@H]1Cc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:16.18|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |r,w:16.18|
CN1CCCC1Cc1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18|
CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:15.17|
CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:15.17|
CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:18.20,c:6|
CN(C)C1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:18.20,(4.28,4.91,;5.37,3.82,;6.85,4.22,;4.97,2.34,;6.06,1.25,;5.66,-.24,;4.17,-.64,;3.08,.45,;3.48,1.94,;3.77,-2.13,;4.68,-3.37,;3.77,-4.62,;2.31,-4.14,;.97,-4.91,;-.36,-4.14,;-.36,-2.6,;.97,-1.83,;2.31,-2.6,;-1.69,-1.83,;-3.03,-2.6,;-3.03,-4.14,;-4.36,-1.83,;-4.84,-.37,;-6.38,-.37,;-6.85,-1.83,;-5.61,-2.74,)|
CCNC1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:18.20,(8.01,4.73,;7.24,3.39,;5.7,3.39,;4.93,2.06,;5.7,.73,;4.93,-.61,;3.39,-.61,;2.62,.73,;3.39,2.06,;2.62,-1.94,;3.52,-3.19,;2.62,-4.43,;1.15,-3.96,;-.18,-4.73,;-1.51,-3.96,;-1.51,-2.42,;-.18,-1.65,;1.15,-2.42,;-2.85,-1.65,;-4.18,-2.42,;-4.18,-3.96,;-5.52,-1.65,;-5.99,-.18,;-7.53,-.18,;-8.01,-1.65,;-6.76,-2.55,)|
NC(=Nc1ccc2[nH]cc(C3=CN4CCC3CC4)c2c1)c1cccs1 |w:2.2,t:10,THB:9:10:13.14:17.16,(-3.88,-2.81,;-3.88,-1.27,;-2.55,-.5,;-1.21,-1.27,;-1.21,-2.81,;.12,-3.58,;1.45,-2.81,;2.92,-3.28,;3.82,-2.04,;2.92,-.79,;3.69,.54,;4.78,1.65,;6.55,1.92,;6.99,3.58,;5.86,2.7,;5.34,.76,;6.47,-.16,;7.58,.9,;1.45,-1.27,;.12,-.5,;-5.21,-.5,;-5.21,1.04,;-6.68,1.52,;-7.58,.27,;-6.68,-.97,)|
NC(=Nc1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1cccs1 |w:2.2,THB:9:10:13.14:17.16,(-3.88,-2.81,;-3.88,-1.27,;-2.55,-.5,;-1.21,-1.27,;-1.21,-2.81,;.12,-3.58,;1.45,-2.81,;2.92,-3.28,;3.82,-2.04,;2.92,-.79,;3.69,.54,;4.78,1.65,;6.55,1.92,;6.99,3.58,;5.86,2.7,;5.34,.76,;6.47,-.16,;7.58,.9,;1.45,-1.27,;.12,-.5,;-5.21,-.5,;-5.21,1.04,;-6.68,1.52,;-7.58,.27,;-6.68,-.97,)|
NC(=Nc1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1ccco1 |w:2.2,THB:9:10:13.14:17.16,(-3.88,-2.81,;-3.88,-1.27,;-2.55,-.5,;-1.21,-1.27,;-1.21,-2.81,;.12,-3.58,;1.45,-2.81,;2.92,-3.28,;3.82,-2.04,;2.92,-.79,;3.69,.54,;4.78,1.65,;6.55,1.92,;6.99,3.58,;5.86,2.7,;5.34,.76,;6.47,-.16,;7.58,.9,;1.45,-1.27,;.12,-.5,;-5.21,-.5,;-5.21,1.04,;-6.68,1.52,;-7.58,.27,;-6.68,-.97,)|
CN1CC=C(C(F)C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:17.19,c:3|
CN1CC[C@H]([C@H](F)C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
CN(C)CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|
NC(=Nc1ccc2ccn(CCc3ccccc3)c2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2ccn(CCN3CCCCC3)c2c1)c1cccs1 |w:2.2|
CN1CCCC1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19,6.6|
CN1CCC[C@@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
CN1CCC[C@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
CN1CCCC(CC1)n1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19|
NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1cccs1 |w:2.2|
CCN(CC)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.18|
NC(=Nc1ccc2ccn(CCCN3CCCC3)c2c1)c1cccs1 |w:2.2|
CN(C)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:15.16|
CNCCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|
CN1CCCC1CCn1c(Cc2ccccc2)cc2ccc(cc12)N=C(N)c1cccs1 |w:24.27|
NC(=Nc1ccc2ccn(CCCCn3ccnc3)c2c1)c1cccs1 |w:2.2|
CN(C)CCCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:16.17|
NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccsc1 |w:2.2|
NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccco1 |w:2.2|
NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccoc1 |w:2.2|
CN1CCCC1CCN1C(=O)COc2cc(ccc12)N=C(N)c1cccs1 |w:19.21|
CN1CCCC1CCN1CCOc2cc(ccc12)N=C(N)c1cccs1 |w:18.20|
NC(=Nc1ccc2N(CCN3CCCC3)C(=O)COc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2N(CCN3CCCC3)CCOc2c1)c1cccs1 |w:2.2|
CN(C)CCN1C(=O)COc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|
CN(C)CCN1CCOc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|
CCNCCN1CCOc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|
CNCCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:14.15|
CN(C)CCN1CCOc2ccc(cc12)N=C(N)c1cccs1 |w:15.16|
CNCCN1CCOc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|
NC(=Nc1ccc2N(CCN3CCCC3)CCSc2c1)c1cccs1 |w:2.2|
CN(C)CCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|
CN1CCCC1CCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:18.20|
NC(=Nc1ccc2N(CCN3CCCCC3)CCSc2c1)c1cccs1 |w:2.2|
CCN(CC)CCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:17.18|
NC(=Nc1ccc2N(CCNCCO)CCSc2c1)c1cccs1 |w:2.2|
CN(CCN1CCSc2cc(ccc12)N=C(N)c1cccs1)CC(O)=O |w:14.15|
NC(=Nc1ccc2N(CCN3CCC[C@H]3C(O)=O)CCSc2c1)c1cccs1 |r,w:2.2|
CN(C)CCN1CCSc2cc(ccc12)N=C(N)c1ccco1 |w:15.16|
CNCCN1CCSc2cc(ccc12)N=C(N)c1ccco1 |w:14.15|
NC(=Nc1ccc2N(CCCN3CCCC3)CCSc2c1)c1cccs1 |w:2.2|
CN(C)CCCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|
CNCCCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|
CCNCCN1CCSc2ccc(cc12)N=C(N)c1cccs1 |w:15.16|
NC(=Nc1ccc2SCCN(CCN3CCCC3)c2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2SCCN(CCNCCO)c2c1)c1cccs1 |w:2.2|
CN(C)CCN1CCSc2ccc(cc12)N=C(N)c1cccs1 |w:15.16|
CNCCN1CCSc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|
NC(=Nc1ccc2SCCN(C3CCNCC3)c2c1)c1cccs1 |w:2.2|
Nc1ccccn1
NNC(N)NCCCC([NH3+])C([O-])=O
CC(=N)NCCCCCC(N)C(O)=O
CC(=N)NCCCC[C@@H](N)C(O)=O
CNC(=N)NCCCC(N)C(O)=O
NC1=NCCCCCC1 |w:2.2|
NC1=NCCCN1 |t:1|
NC1=NCCCS1 |t:1|
NC1=NCCC1 |t:1|
N[C@@H](CCCN(C(N)=N)[N+]([O-])=O)C(O)=O
CN(CCC[C@H](N)C(O)=O)C(N)=N
NC1=NCCCC1 |t:1|
NC1=NCCCCCCC1 |w:2.2|
NC1=NCCCCC1 |t:1|
NC1=NCCCO1 |t:1|
NC(=N)SCCF
CCSC(N)=N
CSC(N)=N
CCSC(N)=Nc1ccc(Oc2ccccc2)cc1 |w:5.5|
CCSC(N)=Nc1cccnc1 |w:5.5|
CCSC(N)=Nc1ccc(OC)cc1 |w:5.5|
CCSC(N)=Nc1ccccc1OC |w:5.5|
CCOC(=O)c1ccc(cc1)N=C(N)SCC |w:11.11|
CCSC(N)=Nc1ccc(cc1)N(C)C |w:5.5|
CCSC(N)=Nc1ccc(cc1)C(C)C |w:5.5|
CSC(N)=Nc1ccc(Cl)cc1 |w:4.4|
CCSC(N)=Nc1ccc(OC(F)(F)F)cc1 |w:5.5|
CCS\C([NH-])=[NH+]\c1ccc(cc1)[N+]([O-])=O
CCSC(N)=Nc1cccc(Cl)c1 |w:5.5|
CCSC(N)=Nc1ccncc1 |w:5.5|
CS\C([NH-])=[NH+]\c1ccc(cc1)[N+]([O-])=O
CCSC(N)=Nc1ccccc1C(F)(F)F |w:5.5|
CCSC(N)=Nc1ccccc1 |w:5.5|
CCSC(N)=Nc1ccc(cc1)C1CCCCC1 |w:5.5|
CSC(N)=Nc1ccc(cc1)C(F)(F)F |w:4.4|
CCSC(N)=Nc1cccc(c1)C(O)=O |w:5.5|
CCSC(N)=Nc1ccc(cc1)C(F)(F)F |w:5.5|
CCSC(N)=Nc1ccccn1 |w:5.5|
CCSC(N)=Nc1ccc(OCc2ccccc2)cc1 |w:5.5|
CCSC(N)=Nc1ccc(Cl)cc1 |w:5.5|
CCSC(N)=Nc1cccc(c1)C(F)(F)F |w:5.5|
CCSC(N)=Nc1ccccc1C(C)C |w:5.5|
CCSC(N)=Nc1ccccc1Br |w:5.5|
CCSC(N)=Nc1ccccc1Cl |w:5.5|
CCSC(N)=Nc1cccc(OC)c1 |w:5.5|
CCSC(N)=Nc1ccc(C)cc1 |w:5.5|
CCSC(N)=Nc1ccc(O)cc1 |w:5.5|
COC(=O)[C@@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)[C@H](N)Cc1ccccc1
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O
N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCCNC(=N)N[N+]([O-])=O
COC(=O)[C@@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)[C@@H](N)Cc1ccccc1
CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
CC(=N)NCCCC[C@H](N)[C@@H](O)CO
NC1=Nc2ccccc2CC1 |t:1|
CCCC1CCN=C(N)C1 |t:6|
NC1=NC(CCC1)C(F)(F)F |t:1|
CCCC1CCCC(N)=N1 |c:8|
CC1CCN=C(N)C1 |t:4|
NC1=NC(CC2CCCCC2)CCC1 |t:1|
CCC1CCN=C(N)C1 |t:5|
NC1=NC(Cc2ccccc2)CCC1 |t:1|
CC1CCCC(N)=N1 |c:6|
NC1=NCCC(C1)C(F)(F)F |t:1|
CC1CCC(N)=NC1 |c:5|
CC1(C)CCN=C(N)C1 |t:5|
CN1CCCCC1=N
CC1CC(C)N=C(N)C1 |t:5|
NC1=NC(CCC1)C1CCCCC1 |t:1|
CNC1=NCCCC1 |t:2|
CC1CCCN=C1N |c:5|
CC(=O)C([NH3+])CCCNC(=N)NCC=C
CCCNC(=N)NCCCC([NH3+])C([O-])=O
[NH3+]C(CCCNC(=N)NCC#C)C([O-])=O
CCNC(=N)NCCCC([NH3+])C([O-])=O
CCCCCC1N=C(N)CC1C |t:6|
CCCCCC1N=C(N)CC1C(F)(F)F |t:6|
NC1=NC(Cc2ccccc2)C(C1)C(F)(F)F |t:1|
CC1CC(N)=NC1Cc1ccccc1 |c:4|
CCC1N=C(N)CC1C |t:3|
CCCCC1N=C(N)CC1C |t:5|
CC1CN=C(N)C1 |t:3|
CC1CCN=C1N |c:4|
CC1CCC(N)=N1 |c:5|
CCC1CN=C(N)C1 |t:4|
CCCC1N=C(N)CC1C |t:4|
N[C@@H](CCCNc1ccc(F)cc1[N+]([O-])=O)C(O)=O
Cc1ccc(c(SCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Cc1ccc(c(NCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Cc1ccc(c(OCCC[C@H](N)C(O)=O)c1)[N+]([O-])=O
Cc1ccc(c(NCCC[C@H](N)CO)c1)[N+]([O-])=O
N[C@@H](CCCNc1ccccc1[N+]([O-])=O)C(O)=O
Cc1ccc(c(NCCCCN)c1)[N+]([O-])=O
N[C@@H](CCCNc1c(cccc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
CC(N)=Nc1ccc(cc1)S(N)(=O)=O |w:3.3|
CC(N)=Nc1ccc(Cn2cccn2)cc1 |w:3.3|
CC(N)=Nc1ccc(Br)cc1 |w:3.3|
NC(CF)=Nc1cccc(CO)c1 |w:4.4|
CNCc1ccc(cc1)N=C(C)N |w:9.9|
CN(C)c1ccc(cc1)N=C(C)N |w:9.9|
CC(N)=Nc1ccc(CNC(=O)N2CCOCC2)cc1 |w:3.3|
CC(N)=Nc1ccc(CO)cc1 |w:3.3|
CC(N)=Nc1ccc(CC(=O)N2CCOCC2)cc1 |w:3.3|
CC(=N)NCc1cccc(CN)c1
CNC(C)=Nc1cccc(CN)c1 |w:4.4|
NCc1cccc(c1)N=C(N)c1ccco1 |w:8.8|
CC(N)=Nc1ccc(CNc2ccccn2)cc1 |w:3.3|
CC(N)=Nc1ccc(CSC(N)=N)cc1 |w:3.3|
CC(N)=Nc1ccc(CC(O)=O)cc1 |w:3.3|
CC(N)=Nc1ccc(cc1)C(C)=O |w:3.3|
NCc1cccc(c1)N=C(N)c1ccccn1 |w:8.8|
NCc1cccc(c1)N=C(N)CF |w:8.8|
COc1ccc(cc1)N=C(C)N |w:8.8|
CC(N)=Nc1ccc(cc1)C(N)=N |w:3.3|
CC(N)=Nc1ccc(CN2CCc3ccccc3C2)cc1 |w:3.3|
NCC(N)=Nc1cccc(CN)c1 |w:4.4|
CN(C)Cc1ccc(cc1)N=C(C)N |w:10.10|
CC(N)=Nc1ccc(cc1)C#N |w:3.3|
CSc1ccc(cc1)N=C(C)N |w:8.8|
CC(N)=Nc1ccc(cc1)C(O)=O |w:3.3|
C\C([NH-])=[NH+]\c1ccc(cc1)[N+]([O-])=O
CSCC(N)=Nc1cccc(CN)c1 |w:5.5|
CC(N)=Nc1ccc(cc1)N=C(C)N |w:10.10,3.3|
CC(O)c1ccc(cc1)N=C(C)N |w:9.9|
CC(N)=Nc1ccc(NN)cc1 |w:3.3|
CC(N)=Nc1ccc(CNO)cc1 |w:3.3|
CC(N)=Nc1cccc(CN)c1 |w:3.3|
CC(N)=Nc1ccc(CN2CCOCC2)cc1 |w:3.3|
CC(N)=Nc1ccc(cc1)-c1cc[nH]n1 |w:3.3|
CC(N)=Nc1ccc(cc1)-c1csc(N)n1 |w:3.3|
CC(N)=Nc1ccc(O)cc1 |w:3.3|
CC(N)=Nc1ccc(CN)cc1 |w:3.3|
CC(N)=Nc1ccc(cc1)C(N)=O |w:3.3|
CC(N)=Nc1ccc(cc1)C(=O)OC(C)(C)C |w:3.3|
CC(N)=Nc1ccc(N)cc1 |w:3.3|
CC(N)=Nc1ccccc1 |w:3.3|
CC(N)=Nc1ccc(CCN)cc1 |w:3.3|
CC(N)=Nc1ccc(F)cc1 |w:3.3|
COC(=O)Cc1ccc(cc1)N=C(C)N |w:11.11|
CC(=N)NCc1ccc(cc1)N=C(C)N |w:11.11|
CC(N)=Nc1ccc(CNCc2cccc(c2)C(C)=N)cc1 |w:3.3|
NCc1cccc(c1)N=C(N)c1cccs1 |w:8.8|
CCC1CCCCN=C1N |c:7|
CCCCC1CCCCC(N)=N1 |c:10|
NC1=NCCCCC1CC=C |t:1|
CCC(CC)CC1CCCCC(N)=N1 |c:12|
C[C@@H]1CCCC(N)=NC1 |c:6|
CCCC1CCCCC(N)=N1 |c:9|
NC1=NC(CCCC1)c1ccccc1 |t:1|
NC1=NC(CC=C)CCCC1 |t:1|
CC1CCN=C(N)CC1 |t:4|
CC(N)=NCCC[C@H](N)C(O)=O |r,w:3.3|
NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O
NC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O
CSC(NO)=NCCC[C@H](N)C(O)=O |w:5.5|
CSC(NCCC[C@H](N)C(O)=O)=NN |w:12.12|
NNC(=S)NCCC[C@H](N)C(O)=O
CC(O)C(O)C1CNc2nc(N)nc(N)c2N1
Nc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(cnc2n1)-c1ccccc1
COc1ccc(cc1)-c1cnc2nc(N)nc(N3CCCCC3)c2n1
Nc1nc(N2CCOCC2)c2nc(cnc2n1)-c1ccccc1
Nc1nc(N)c2NCC(Nc2n1)c1ccccc1
CCOCC1CNc2nc(N)nc(N)c2N1
N[C@H](CCCNC(=N)NCc1ncc[nH]1)C(O)=O
N[C@H](CCCNC(=N)NCCc1cnc[nH]1)C(O)=O
N[C@H](CCCNC(=N)NCCc1ncc[nH]1)C(O)=O
Nc1nc(N)c2nc(COc3ccccc3)cnc2n1
Nc1nc(N)c2N(CCNc2n1)C=O
Nc1nc(N)c2NC(CNc2n1)c1ccccc1
Nc1cccc(n1)-c1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1
Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1
Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1
CC(C)CN1CCN(CCc2ccc(cc2)-c2cccc(N)n2)CC1
CC(C)NC(=O)CN1CCN(CCc2ccc(cc2)-c2cccc(N)n2)CC1
Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)C(=O)Cc2ccccc2)cc1
COc1ccc(cc1)-c1cnc2nc(N)nc(N3CCOCC3)c2n1
COc1ccc(cc1)-c1cnc2nc(N)nc(N(C)C)c2n1
Nc1nc(N)c2nc(COC(=O)CCc3ccc(cc3)C(=O)c3ccccc3)cnc2n1
CCN(CC)c1nc(N)nc2ncc(nc12)-c1ccc(OC)cc1
COc1ccc(cc1)-c1cnc2nc(N)nc(N(Cc3ccccc3)Cc3ccccc3)c2n1
Nc1nc(N2CCCCC2)c2nc(cnc2n1)-c1ccccc1
CC(=N)NCCOCCC(N)C(O)=O
CC(=N)NCCS(=O)(=O)CCC(N)C(O)=O
CC(=N)NCCSC[C@H](N)C(O)=O
CC(=N)NCCSC[C@@H](N)C(O)=O
CC(=N)NCCCS(=O)(=O)C[C@H](N)C(O)=O
CC(=N)NCCS(=O)(=O)C[C@@H](N)C(O)=O
CC(=N)NCCCSC[C@H](N)C(O)=O
CC(=N)NCCOC[C@H](N)C(O)=O
CC(=N)NCCSCC[C@H](N)C(O)=O
CC(=N)NCCS(=O)C[C@@H](N)C(O)=O
CC(=N)NCCS(=O)CCC(N)C(O)=O
CC(=N)NCCSCC[C@@H](N)C(O)=O
CC(=N)NCCCOC[C@H](N)C(O)=O
NCCCCN(CC(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
CC(=O)N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N[C@@H](CCN)C(N)=O
NCCN(CC(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(O)=O
CN([C@@H](CCN)C(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
CN([C@@H](CCCCN)C(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
COC(=O)[C@H](CCN)NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
NCC[C@H](NC(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)OCc1ccccc1)C(N)=O
CC(C)(C)OC(=O)[C@H](CCN)NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
NCCCN(CC(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
CN([C@@H](CCCN)C(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
NCCNC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
CCc1ccnc(N)c1
Cc1cnc(N)cc1C
Cc1cnc(N)c(C)c1
CCCc1cc(C)cc(N)n1
NCCCCNC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
NCCCNC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
Cc1cc(N)nc2CCCCc12
Nc1nccc2CCCCc12
Cc1ccnc(N)c1N
CCc1cc(C)cc(N)n1
Cc1cc(N)nc(CCCc2ccccc2)c1
Cc1cccc(N)n1
Nc1ccc2CCCc2n1
Cc1cccnc1N
CC(C)c1cc(C)cc(N)n1
CCc1cnc(N)cc1C
Cc1ccnc(N)c1
CC(C)Cc1cc(C)cc(N)n1
Cc1ccc(N)nc1C
CC(C)CCc1cc(C)cc(N)n1
Nc1cc(ccn1)C(F)(F)F
Cc1cc(C)nc(N)c1
CCc1c(C)ccnc1N
Nc1cc2CCCCc2cn1
Cc1ccc(N)nc1
Cc1ccnc(N)c1C
Cc1cnn(c1)C(N)=N
Cc1ccn(n1)C(N)=N
NCc1cccc(NC(=N)c2cccs2)c1
NC(=NC1CC1)n1cccn1 |w:2.2|
Cc1cc(C)n(n1)C(N)=N
NC(=NCC1CC1)n1cccn1 |w:2.2|
[NH3+]Cc1cccc(NC(=[NH2+])n2cccn2)c1
NC(=N)n1cccn1
CCCCCNC(=N)n1cccn1
NCCCCNC(=N)n1cccn1
CCCCNC(=N)NCCC
NCc1cccc(NC(=N)c2ccco2)c1
CCCCNC(=N)n1cccn1
CCCNC(=N)n1cccn1
CC(C)CN=C(N)n1cccn1 |w:4.3|
NC1=NC(Cc2sccc12)c1ccccc1 |t:1|
NC1=NC(Cc2ccsc12)C#C |t:1|
Cc1cc2CC(N=C(N)c2s1)C#C |t:6|
NC1=NC(Cc2sccc12)C1CC1 |t:1|
NC1=NC(Cc2ccsc12)C1CC1 |t:1|
NC1=NCCc2ccsc12 |t:1|
NC1=NC(Cc2c(F)cccc12)c1ccc(F)cc1 |t:1|
NC1=NC(Cc2ccccc12)c1ccc(F)cc1 |t:1|
NC1=NC(Cc2ccccc12)c1ccco1 |t:1|
Oc1cccc2cn[nH]c12
NC1=NC(Cc2ccccc12)C#C |t:1|
NC1=NCCCc2ccccc12 |t:1|
NC1=NC(Cc2cccc(F)c12)c1ccccc1 |t:1|
NC1=NC(Cc2ccccc12)c1cccs1 |t:1|
NC1=NC(Cc2ccccc12)C1CC1 |t:1|
NC1=NC(Cc2cccc(Cl)c12)c1ccc(F)cc1 |t:1|
NC1=NC(Cc2ccccc12)c1ccccc1 |t:1|
COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |r,w:12.12|
NC1=NC(Cc2cc(F)ccc12)c1ccc(F)cc1 |t:1|
NC1=NC(Cc2ccccc12)c1nccs1 |t:1|
NC1=NC(Cc2cccc(F)c12)c1ccc(F)cc1 |t:1|
CC1Cc2ccccc2C(N)=N1 |c:11|
NC1=NCCc2ccccc12 |t:1|
NC1=NC(Cc2ccccc12)c1ccccc1F |t:1|
NC1=NC(Cc2ccc(F)cc12)c1ccc(F)cc1 |t:1|
NC1=NC(Cc2ccccc12)c1ccc(Cl)cc1 |t:1|
NC1=NC(Cc2ccccc12)c1cccc(F)c1 |t:1|
NC1=NC(Cc2cccc(Cl)c12)c1ccccc1 |t:1|
NC1=NC(Cc2ccsc12)c1ccco1 |t:1|
NC1=NC(Cc2sccc12)C#C |t:1|
NC1=NC(Cc2ccsc12)c1cccs1 |t:1|
CC#CC1Cc2ccsc2C(N)=N1 |c:12|
NC1=NC(Cc2ccsc12)c1ccccc1 |t:1|
[O-][N+](=O)CCC1COCCC(=[NH2+])[N-]1
[O-][N+](=O)CCC1CCCCC(=[NH2+])[N-]1
NCCC1COCCC(N)=N1 |c:9|
NC1=NCCSCC1 |t:1|
NCCC1CCCCC(N)=N1 |c:9|
C\C=C\CC1CCCCC(N)=N1 |c:10|
CCCCC1COCCC(N)=N1 |c:10|
C\C=C\CC1COCCC(N)=N1 |c:10|
NC1=NCCCSCC1 |w:2.2|
NC1=NCCOCC1 |t:1|
NCCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
NCCCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
NC(=Nc1ccccc1)c1cccs1 |w:2.2|
CC(N)=[NH+]CCCC[C@H]([NH3+])C(=O)Nc1nnn[nH]1 |w:3.3|
CC(C)C(=O)Nc1nc2NC(C(N(C(=O)c3ccc[n+](Cc4ccccc4)c3)c2c(=O)[nH]1)c1ccccc1)c1ccccc1
Nc1nc(NCC2CCCCC2)c2NC(CNc2n1)c1ccc(Cl)cc1
Nc1nc2NCCN(C(=O)c3ccccc3)c2c(=O)[nH]1
CNCC1CNc2nc(N)[nH]c(=O)c2N1
Nc1nc2ncc(nc2c(=O)[nH]1)-c1ccc(F)cc1
Nc1nc2NCC3COC(=O)N3c2c(=O)[nH]1
CCN(CC)c1nc(N)nc2NCC(Nc12)c1ccc(Cl)cc1
Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccc(Cl)cc1
CCCN(CCC)c1nc(N)nc2NCC(Nc12)c1ccc(OC)cc1
NC1=Nc2c(F)cc(Cl)cc2[C@H]2CCC[C@@H]12 |t:1|
NC1=Nc2ccc(cc2[C@H]2CCC[C@@H]12)[N+]([O-])=O |t:1|
NC1=Nc2ccc(Br)cc2[C@H]2CCC[C@@H]12 |t:1|
NC1=Nc2c(F)c(F)ccc2[C@H]2CCC[C@@H]12 |t:1|
COc1ccc2N=C(N)[C@@H]3CCC[C@@H]3c2c1 |t:6|
NC1=Nc2c(Cl)cc(Cl)cc2[C@H]2CCC[C@@H]12 |t:1|
NC1=Nc2cc(F)ccc2[C@H]2CCC[C@@H]12 |t:1|
COc1ccc2[C@H]3CCC[C@H]3C(N)=Nc2c1 |c:13|
NC1=Nc2ccccc2[C@H]2COC[C@@H]12 |t:1|
Cc1ccc2N=C(N)[C@@H]3CCC[C@@H]3c2c1 |t:5|
NC1=Nc2c(F)c(F)c(Cl)cc2[C@H]2CCC[C@@H]12 |t:1|
NC1=Nc2c(F)cccc2[C@H]2CCC[C@@H]12 |t:1|
NC1=Nc2cc(ccc2[C@H]2CCC[C@@H]12)[N+]([O-])=O |t:1|
Cc1ccc2[C@H]3CCC[C@H]3C(N)=Nc2c1 |c:12|
NC1=Nc2ccc(cc2[C@H]2CCC[C@@H]12)C(F)(F)F |t:1|
NC1=Nc2ccccc2[C@H]2CCC[C@@H]12 |t:1|
NC1=Nc2ccc(F)cc2[C@H]2CCC[C@@H]12 |t:1|
NC1=Nc2ccc(cc2[C@H]2CCC[C@@H]12)C#N |t:1|
NC1=Nc2ccc(Cl)cc2[C@H]2CCC[C@@H]12 |t:1|
CC1=CC(N)=NCC1 |c:4,t:1|
CC1=CC(N)=NCC1(C)C |c:4,t:1|
CCCC1CC(C)=CC(N)=N1 |c:6,9|
CC1(C)CN=C(N)C=C1 |c:7,t:4|
CC1=CC(N)=N[C@@H]2CCC[C@H]12 |c:4,t:1|
CC1=C(C)C(N)=NCC1 |c:1,5|
CC1=CC(N)=NC(CC=C)C1 |c:4,t:1|
CC1CN=C(N)C=C1C |c:6,t:3|
CC1CC(C)=CC(N)=N1 |c:4,7|
CC1=CC(N)=N[C@@H]2CCCC[C@H]12 |c:4,t:1|
NCCc1ccc(cc1)N=C(N)c1cccs1 |w:9.9|
CC(C)c1cc(CCCNCc2cccc(c2)N=C(N)c2cccs2)cc(C(C)C)c1O |w:17.17|
NCc1ccc(cc1)N=C(N)c1cccs1 |w:8.8|
CC(C)(C)c1cc(CCNCc2cccc(c2)N=C(N)c2cccs2)cc(c1O)C(C)(C)C |w:17.17|
NC(=Nc1ccc(N)cc1)c1cccs1 |w:2.2|
CC(C)(C)c1cc(CCCNCc2cccc(c2)N=C(N)c2cccs2)cc(c1O)C(C)(C)C |w:18.18|
CC(C)(C)c1cc(CNCc2cccc(c2)N=C(N)c2cccs2)cc(c1O)C(C)(C)C |w:16.16|
NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1 |w:2.2|
CCCCC[C@H]1[NH2+]C(=N)C[C@H]1C
CCCCC[C@@H]1N=C(N)[C@@H](O)[C@@H]1C |t:6|
CCCCC[C@H]1[NH2+]C(=N)[C@@H](O)[C@H]1C
CCCCC[C@@H]1N=C(N)[C@H](O)[C@@H]1C |t:6|
CCCCC[C@H]1N=C(N)[C@H](O)[C@H]1C |t:6|
CCOC(=O)N1CCC2(CC1)Nc1ccsc1C(N)=N2 |c:20|
NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12 |t:1|
NC1=NC(Nc2cccc(F)c12)C1CCC1 |t:1|
NC1=NC(Nc2c(F)ccc(F)c12)c1ccco1 |t:1|
CCOC(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=N2 |c:22|
NCc1ccccc1NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
NCCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1
NCCc1ccccc1NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1ccc(N)cc1
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1cccc(N)c1
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1ccccc1N
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1ccccn1
NCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1ccncc1
NCc1cccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)c1
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNc1cccc(N)c1
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1ccccn1
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNc1ccc(N)cc1
NCCc1cccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)c1
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1ccc(N)cc1
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccnc1
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1cccnc1
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1ccncc1
NCCCC[C@@H](N)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccc(N)c1
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1ccccc1N
NC1=Nc2cc(CCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12 |t:1|
NC1=Nc2cc(CNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12 |t:1|
CNCCOc1ccc2[C@H]3CCC[C@H]3C(N)=Nc2c1 |c:16|
NC1=Nc2cc(CCCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12 |t:1|
NC1=Nc2cc(CCNCc3cccc(Cl)c3)c(Cl)cc2[C@H]2CCC[C@@H]12 |t:1|
N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)NC1CNC(C1)C(N)=O
Cc1c(C)c2O[C@@](C)(CCc2c(C)c1O)C(=O)C1CCC(CC1)c1ccc(cc1)N=C(N)c1cccs1 |w:29.32,wU:6.16,wD:6.6,(13.73,-2.01,;12.4,-2.78,;11.06,-2.01,;11.04,-.47,;9.74,-2.78,;8.41,-2.01,;7.07,-2.78,;7.05,-1.24,;7.05,-4.32,;8.38,-5.11,;9.73,-4.34,;11.06,-5.11,;11.06,-6.65,;12.4,-4.34,;13.73,-5.11,;5.74,-2.01,;5.75,-.47,;4.39,-2.76,;4.39,-4.29,;3.04,-5.05,;1.71,-4.27,;1.73,-2.73,;3.06,-1.97,;.37,-5.02,;-.95,-4.23,;-2.29,-4.99,;-2.31,-6.53,;-.97,-7.31,;.36,-6.56,;-3.66,-7.29,;-4.98,-6.51,;-4.96,-4.97,;-6.31,-7.26,;-6.5,-8.8,;-8,-9.11,;-8.76,-7.77,;-7.74,-6.63,)|
CCCCC[C@H]1N=C(N)C[C@H]1C |t:6|
N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNc1cccnc1
NCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N[C@@H](N)C(N)=O
NCCCC[C@H](N)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O
N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O
[#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
NC1=Nc2ccccc2[C@H]2CCC[C@@]12F |t:1|
NC1=Nc2cc(CCCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@]12F |t:1|
NC1=Nc2c(F)cccc2[C@H]2CCC[C@@]12F |t:1|
CC(=N)NCC(F)CCC(N)C(O)=O
CC(=N)NC[C@@H](F)CC[C@H](N)C(O)=O
CC(=N)NCC(F)(F)CCC(N)C(O)=O
CC(=N)NC[C@@H](F)CC[C@@H](N)C(O)=O
CNCc1ccc2[C@H]3CCC[C@@]3(F)C(N)=Nc2c1 |c:15|
NC1=Nc2ccc(Cl)cc2[C@H]2CCC[C@@]12F |t:1|
CNCCc1ccc2[C@H]3CCC[C@@]3(F)C(N)=Nc2c1 |c:16|
CC(=N)NC[C@H](F)CC[C@H](N)C(O)=O
CC(=N)NCC(F)(F)CC[C@H](N)C(O)=O
N[C@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N1C[C@H](N)CC1C(N)=O
NC(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)C1C[C@@H](CN1)N=[N+]=[N-]
N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N1C[C@H](N)C[C@H]1C(N)=O
N[C@H]1CNC(C1)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O
N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N1C[C@H](C[C@H]1C(N)=O)NC(=O)C(F)(F)F
N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O
CC(=N)Nc1cccc(CN)c1
NC(=O)[C@@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)C1C[C@H](CN1)N=[N+]=[N-]
N[C@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N1C[C@H](CC1C(N)=O)NC(=O)C(F)(F)F
NC(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)C1C[C@H](CN1)N=[N+]=[N-]
N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
N[C@@H]1CNC(C1)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O
CSC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
N[C@H]1CNC(C1)C(=O)N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O
N[C@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
N[C@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N1C[C@@H](C[C@H]1C(N)=O)NC(=O)C(F)(F)F
NC(=O)[C@@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)C1C[C@@H](CN1)N=[N+]=[N-]
N[C@@H]1CNC(C1)C(=O)N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O
N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N1C[C@@H](CC1C(N)=O)NC(=O)C(F)(F)F
NC(CCCNC(=N)N[N+]([O-])=O)C(=O)N1CC(N)CC1C(N)=O
CN1CCN(CCOc2ccc(c3CCCc23)-c2cccc(N)n2)CC1
CN(C)CCOc1ccc(c2C3CCC(C3)c12)-c1cccc(N)n1
Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2ccccc12
CN1CCCC1COc1ccc(-c2cccc(N)n2)c2ccccc12
CN1CCN(CCOc2ccc(-c3cccc(N)n3)c3ccccc23)CC1
Nc1cccc(n1)-c1ccc(OCC2CC3CCN2CC3)c2ccccc12 |(11.24,-2.54,;9.89,-1.75,;9.89,-.21,;8.56,.56,;7.23,-.21,;7.23,-1.75,;8.56,-2.52,;5.89,-2.52,;4.57,-1.75,;3.24,-2.52,;3.24,-4.06,;1.89,-4.85,;.57,-4.08,;-.76,-4.86,;-2.09,-4.08,;-3.43,-4.85,;-1.9,-4.84,;-2.3,-6.31,;-.76,-6.4,;-2.11,-7.17,;-3.44,-6.4,;4.57,-4.82,;4.57,-6.37,;5.89,-7.14,;7.23,-6.37,;7.23,-4.82,;5.89,-4.06,)|
CN(C)C1CCCCC1Oc1ccc(-c2cccc(N)n2)c2ccccc12
CN1CCC(C1)Oc1ccc(-c2cccc(N)n2)c2ccccc12
CN(C)CCOc1ccc(-c2cccc(N)n2)c2CCCCc12
CN1CCN(CCOc2ccc(-c3cccc(N)n3)c3CCCCc23)CC1
CN(C)CCOc1ccc(-c2cccc(N)n2)c2ccccc12
Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2CCCCc12
CN(C)CCOc1ccc(c2CCCc12)-c1cccc(N)n1
CN(C)C1CCN(CCOc2ccc(-c3cccc(N)n3)c3ccccc23)CC1
CN(C)CCOc1ccc(-c2cccc(N)n2)c2CCCCCc12
Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2CCCc12
CCOC(=O)N1CCC(CC1)Nc1cc(C)ccn1
COc1ccnc(NC2CCN(CC2)C(=O)c2ccccc2)c1
CCOC(=O)N1CCC(CC1)Nc1cc(OC)ccn1
CNc1cc(C)cc(C)n1
CCOC(=O)N1CCC(CC1)Nc1cc(OCC)ccn1
COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(cc2)C#N)c1
CCCC1CCCCCC(N)=N1 |w:11.11|
COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(Cl)cc2)c1
COc1ccnc(N)c1
CCOC(=O)N1CCC(CC1)Nc1ccccn1
N=C1CCC2CCCN12
CCCC1CC(N)=NC1C |c:6|
CC1CN=C(N)S1 |t:3|
CC(C)C1CN=C(N)C1 |t:5|
CCC1CC(C)C(N)=N1 |c:7|
NC1=NC(CS1)c1ccccc1 |t:1|
NC1=NCC(C1)c1ccccc1 |t:1|
NC1=NCCS1 |t:1|
NC1=NC2CCCC2C1 |t:1|
COc1cc(c(OC)cc1OCCN(C)C)-c1cccc(N)n1
CCc1cc(c(OC)cc1CCCN(C)C)-c1cccc(N)n1
CCc1cc(c(OC)cc1CN(C)C)-c1cccc(N)n1
COc1cc(c(OC)cc1CCN(C)C)-c1cccc(N)n1
CCc1cc(c(OC)cc1OCCN(C)C)-c1cccc(N)n1
COc1cc(c(OC)cc1CCCN(C)C)-c1cccc(N)n1
COc1cc(c(OC)cc1CN(C)C)-c1cccc(N)n1
CCc1cc(c(OC)cc1CCN(C)C)-c1cccc(N)n1
CCCCC1CSC(N)=N1 |c:8|
CC1CC(N)=NC1C |c:4|
N=C1CCC2CCCCN12
CC1CN=C(N)C1C |t:3|
NC1=NCC2CCCCC12 |t:1|
CCC1CN=C(N)C1C |t:4|
CCCC1CN=C(N)C1 |t:5|
N=C1SCC2CCCN12
CCC1CC(N)=NC1C |c:5|
N=C1SCC2CCCCN12
NC1=NCC2CCCC12 |t:1|
CCCC1CC(N)=NC1CC |c:6|
CC1CC(N)=NC2CCCCC2S1 |c:4|
CC(C)CC1CSCCC(N)=N1 |c:10|
CC1CN=C(N)CCS1 |t:3|
CCC[C@@H]1CSCCC(N)=N1 |c:9|
NC1=NC(CO)CSCC1 |t:1|
CCC1CSCCC(N)=N1 |c:8|
CCCCC1CSCCC(N)=N1 |c:10|
CCCC1CSCCC(N)=N1 |c:9|
CCC[C@H]1CSCCC(N)=N1 |c:9|
NC1=NCCCOC1 |t:1|
CC1CSCCN=C1N |c:6|
CC1CC(N)=NCCS1 |c:4|
NC1=NCCNCC1 |t:1|
CC1CSCCC(N)=N1 |c:7|
NC1=NCCCSC1 |t:1|
C[C@@H]1CC(N)=N[C@@H]2CCCCC[C@H]12 |c:4|
C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 |c:4|
C[C@H]1CC(N)=N[C@H]2CCCC[C@@H]12 |c:4|
C[C@@H]1CC(N)=N[C@H]2CCCC[C@@H]12 |c:4|
CC1CC(N)=Nc2ccccc12 |c:4|
NC1=N[C@H]2CCCC[C@H]2CC1 |t:1|
C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12 |c:4|
NC1=N[C@H]2CCCC[C@@H]2CC1 |t:1|
C[C@H]1CC(N)=N[C@H]2CCC[C@@H]12 |c:4|
C[C@H](CCNC(C)=N)[C@H](N)C(O)=O
CSC(=N)NCC[C@@H](C)[C@H](N)C(=O)OC(C)(C)C
CSC(=N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CSC(=N)NCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C
CCC[C@@H](CCNC(=N)SC)[C@H](N)C(=O)OC(C)(C)C
CC(N)C(=O)OCC1CNc2nc(N)[nH]c(=O)c2N1
CCOCc1cnc2nc(N)[nH]c(=O)c2n1
Nc1nc2ncc(COC(=O)c3ccc(cc3)[C-]([N+]#N)C(F)(F)F)nc2c(=O)[nH]1
CCCN(CCC)c1nc(N)nc2NCC(Nc12)c1ccccc1
Nc1nc2ncc(nc2c(=O)[nH]1)-c1cccc2ccccc12
N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1C[C@H](N(Cc2ccccc2)C1)C(N)=O |w:8.8|
N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@H]1CCN[C@@H]1C(N)=O |w:8.8|
CN1C[C@@H](C[C@H]1C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |w:20.21|
N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NC1CCNCC1 |w:8.8|
CN[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O |w:9.9|
CN[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCCNC1 |w:9.9|
N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@H]1CCNC1 |w:8.8|
N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCCNC1 |w:8.8|
CN[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NC1CCNCC1 |w:9.9|
CN[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCNC1 |w:9.9|
N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCNC1 |w:8.8|
N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@H]1CCCNC1 |w:8.8|
C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(O)=O
NNC(N)=N
NC(=Nc1ccc2sc(N)nc2c1)c1cccs1 |w:2.2|
CCSC(N)=Nc1ccc2nc(N)sc2c1 |w:5.5|
CCSC(N)=Nc1ccc2sc(N)nc2c1 |w:5.5|
NC(=Nc1ccc2sc(NC3CCN(Cc4ccccc4)CC3)nc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(F)cc4)CC3)sc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2sc(NCCN3CCOCC3)nc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2nc(N)sc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(cc4)C(O)=O)CC3)sc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1 |w:2.2|
COc1cccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)c1 |w:24.26|
NC(=Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2nc(NC3CCN(CCc4ccc(Br)cc4)CC3)sc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2nc(NC3CCN(CC3)C3CCOCC3)sc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2nc(NCCN3CCOCC3)sc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2sc(NC3CCN(Cc4ccc(F)cc4)CC3)nc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2sc(NCCc3ccccn3)nc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2nc(NCCc3ccccn3)sc2c1)c1cccs1 |w:2.2|
CN1CCCC1CCNc1nc2cc(ccc2s1)N=C(N)c1cccs1 |w:18.20|
COC(=O)c1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1 |w:25.27|
COc1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1 |w:23.25|
[O-][N+](=O)c1cccc2cn[nH]c12
N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8|
CC(N)=NCc1cccc(CN)c1 |w:3.3|
CCC1=CC(N)=NCC1 |c:5,t:2|
CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1ccnc1
Cn1ncc2cccc([N+]([O-])=O)c12
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12 |r|
Cl.Cl.CNC1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 |(47.17,-50.39,;48.51,-54.45,;43.8,-61.64,;44.83,-60.5,;44.36,-59.03,;42.86,-58.7,;42.39,-57.24,;43.42,-56.11,;44.93,-56.42,;45.4,-57.89,;42.94,-54.64,;43.85,-53.39,;42.94,-52.13,;41.47,-52.61,;40.13,-51.85,;38.8,-52.62,;37.47,-51.85,;36.14,-52.62,;36.14,-54.16,;34.8,-51.85,;34.78,-50.3,;33.3,-49.86,;32.42,-51.12,;33.36,-52.35,;38.8,-54.16,;40.14,-54.93,;41.47,-54.16,)|
Cl.Cl.CN1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12
Cl.Cl.CC1CC(CCN1)N1CCc2cc(NC(=N)c3cccs3)ccc12
Cl.Cl.N=C(Nc1ccc2N(CCN3CCCC3)CCc2c1)c1cccs1
Cl.Cl.CN(C)CCN1CCc2cc(NC(=N)c3cccs3)ccc12
Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C(=O)CN1CCCC1)c1cccs1
Cl.Cl.OCCN1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12
Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCCNC1)c1cccs1
CN(C)CCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 |r|
Nc1cccc(C[C@H]2CNC[C@H]2N[C@@H]2CCNC2)n1 |r|
Nc1cccc(C[C@H]2CNC[C@H]2N[C@H]2CCNC2)n1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)c(Cl)c2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2Cl)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2ccccc2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2ccc(F)cc2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1 |r|
Nc1cccc(C[C@H]2CNC[C@H]2NCCNCc2ccccc2)n1 |r|
N[C@@H](CN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1 |r|
N[C@H](CN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1 |r|
Cc1cc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)cc(N)n1 |r|
Cc1cc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)cc(N)n1 |r|
C[C@@H](CN[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1)NCc1ccc(Cl)cc1 |r|
CN(CCNCc1ccc(Cl)cc1)[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCN)c1 |r|
CN(CCNCCc1cccc(F)c1)[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r|
CN(CCN(C)[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1)CCc1cccc(F)c1 |r|
Nc1cccc(C[C@H]2CNC[C@H]2N[C@@H]2CCN(Cc3ccccc3)C2)n1 |r|
Nc1cccc(C[C@H]2CNC[C@H]2N[C@H]2CCN(Cc3ccccc3)C2)n1 |r|
CC(=O)[C@@H]1C[C@H](CN1)NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16|
CC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16|
NCCNC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:10.9|
NCCc1ccccc1NC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2cccc(Cl)c2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(cc2)C(F)(F)F)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(F)cc2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2cccc(c2)C(F)(F)F)c1 |r|
Cc1cccc(CNCCN[C@@H]2CNC[C@@H]2Cc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(CCCF)c1
Brc1n[nH]c2c(cccc12)C#N
OC(=O)c1cccc2c(Br)n[nH]c12
NC(=O)c1cccc2c(Br)n[nH]c12
Cn1nc(Br)c2cccc([N+]([O-])=O)c12
CC(F)Cc1cc(C)cc(N)n1
C#Cc1cccc2cn[nH]c12
c1[nH]nnc1-c1cccc2c[nH]nc12
[O-][N+](=O)c1cccc2c(Br)n[nH]c12
Brc1n[nH]c2c(I)cccc12
Cc1cc(N)nc(CC2CNCC2OCCNCCc2cccc(F)c2)c1
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCOCCc2cccc(F)c2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCC(=O)NCCc2cccc(F)c2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNC(=O)Cc2cccc(F)c2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCCc2cccc(F)c2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NC(=O)CNCCc2cccc(F)c2)c1 |r|
FC(F)(F)S(=O)(=O)Oc1cccc2cn[nH]c12
Nc1cccc2cn[nH]c12
Ic1cccc2cn[nH]c12
N#Cc1cccc2cn[nH]c12
OC(=O)c1cccc2cn[nH]c12
NC(=O)c1cccc2cn[nH]c12
c1[nH]nc2c(cccc12)-c1nnn[nH]1
C\C(N)=[NH+]\Cc1ccccc1
CC(\[NH+]=C(\C)N)c1ccccc1
CCC(N=C(C)N)c1ccccc1 |w:3.2|
C\C(N)=[NH+]\Cc1cccc(CNCc2ccncc2)c1
C\C(N)=[NH+]\Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1
CCOC(=O)N1CCC(CC1)\[NH+]=C(\C)N
Fc1ccc2oc(=O)[nH]c2c1
Sc1nc2cc(Cl)ccc2o1
CN(Cn1c2cc(Cl)ccc2oc1=O)c1ccccn1
CN1CCN(Cn2c3cc(Cl)ccc3oc2=O)CC1
Cc1cccc2oc(=O)[nH]c12
Cc1ccc2oc(=O)[nH]c2c1
Clc1ccc2oc(=O)[nH]c2c1
CN(CCc1ccccc1)Cn1c2cc(Cl)ccc2oc1=O
Cc1ccc2[nH]c(=O)oc2n1
Clc1ccc2oc(=O)n(CN3CCOCC3)c2c1
CN(Cc1ccccc1)Cn1c2cc(Cl)ccc2oc1=O
Clc1ccc2oc(=O)n(CN3CCSCC3)c2c1
O=c1[nH]c2cc(ccc2o1)C#N
Clc1ccc2oc(=O)n(CN3CCCCC3)c2c1
Cc1ccc2[nH]c(=O)oc2c1
CC(N)=Nc1ccccc1CC(N)C(O)=O |w:3.3|
CC(N)=Nc1cccc(CC(N)C(O)=O)c1 |w:3.3|
CNC(N)=Nc1cccc(CC(N)C(O)=O)c1 |w:4.4|
[#7]-[#6](-[#6]-c1ccccc1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
CNC(N)=Nc1ccccc1CC(N)C(O)=O |w:4.4|
[#7]-[#6](-[#6]-c1cccc(c1)\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Cc1nccn1CC(=O)c1ccc(cc1)[N+]([O-])=O
Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(cc1)C#N
COc1ccc(cc1)-c1ccc(cc1)C(=O)C1CN[c+]2cc(C)ccn2C1
Cc1cc(C)n2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(Br)cc1
Cc1cc(C)n2CC(CN[c+]2c1)C(=O)c1ccc2cc(C)ccc2c1
Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(OCc2ccc(Cl)cc2)cc1
Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2ccc(cc2)-c2ccccc2)n1 |r|
Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccccc3)c2)n1 |r|
Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(F)cc3)c2)n1 |r|
Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)cc3)c2)n1 |r|
Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)c(F)c3)c2)n1 |r|
Cc1cc(Oc2cccc(O[C@H]3CNC[C@H]3Cc3cccc(N)n3)c2)ccc1F |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(F)c2)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(Cl)c2)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(c2)C(F)(F)F)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2ccc(F)c(C)c2)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2ccc(F)c(Cl)c2)c1 |r|
Cc1cc(N)nc(CC2CNCC2OCCNCC(F)c2cccc(F)c2)c1
Cc1cc(N)nc(CC2CNCC2OCCNCC(F)(F)c2cccc(F)c2)c1
Cc1cc(N)nc(CC2CNCC2OCCNCCOc2cccc(F)c2)c1
NCCN1C[C@H](Cc2cccc(N)n2)[C@@H](C1)NCCCc1ccccc1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(F)cc2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(c2)C(F)(F)F)c1 |r|
Cc1cccc(CNCCN[C@H]2CNC[C@@H]2Cc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)c(Cl)c2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)cc2Cl)c1 |r|
C[C@@H](CN[C@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1)NCc1ccc(Cl)cc1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2ccccc2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2ccc(F)cc2)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1 |r|
NCCN1C[C@H](Cc2cccc(N)n2)[C@H](C1)NCCCc1ccccc1 |r|
NCCN1C[C@H](Cc2cccc(N)n2)[C@@H](C1)NCCCO |r|
NCCN1C[C@H](Cc2cccc(N)n2)[C@H](C1)NCCCO |r|
Nc1cccc(C[C@H]2CNC[C@@H]2O)n1 |r|
CN(C)CCN[C@H]1CNC[C@@H]1Cc1cccc(N)n1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1 |r|
Nc1cccc(C[C@H]2CNC[C@@H]2NCCNCc2ccccc2)n1 |r|
N[C@@H](CN[C@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1 |r|
N[C@H](CN[C@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1 |r|
Cc1nccn1Cc1ccncc1
CC(c1ccccc1)n1ccnc1C
CC(N)=NCc1ccc2OCOc2c1 |w:3.3|
Nc1cccc(C[C@H]2CNC[C@@H]2N[C@H]2CCN(Cc3ccccc3)C2)n1 |r|
Nc1cccc(C[C@H]2CNC[C@@H]2N[C@@H]2CCN(Cc3ccccc3)C2)n1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)cc2)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(cc2)C(F)(F)F)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@H]2OCCNCCc2cccc(F)c2)c1 |r|
COc1cccc(CN=C(C)N)c1 |w:8.7|
CC(N)=NC(c1ccccc1)c1ccccc1 |w:3.3|
CC(C)C(N=C(C)N)c1ccccc1 |w:4.3|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCN)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCCc2ccccc2)c1 |r|
Cc1cc(N)nc(CCc2cc(N)cc(CCc3cc(C)cc(N)n3)c2)c1
Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)n2)c1
Cc1cc(N)nc(CCc2cccc(CCc3cc(C)cc(N)n3)n2)c1
Cc1cc(N)nc(CCc2cncc(CCc3cc(C)nc(N)c3)c2)c1
Cc1cc(N)nc(CCc2cncc(CCc3cc(C)cc(N)n3)c2)c1
Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)c1
Cc1cc(N)nc(CCc2cccc(CCc3cc(C)cc(N)n3)c2)c1
Cc1cc(N)nc(CCc2ccc(CCc3cc(C)cc(N)n3)cc2)c1
Cc1cc(N)nc(CCc2ccc3ccc(CCc4cc(C)cc(N)n4)cc3c2)c1
Cc1cc(N)nc(CCc2ccc3cc(CCc4cc(C)cc(N)n4)ccc3c2)c1
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCCO)c1 |r|
Nc1cccc(C[C@H]2CNC[C@@H]2N[C@H]2CCNC2)n1 |r|
Nc1cccc(C[C@H]2CNC[C@@H]2N[C@@H]2CCNC2)n1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 |r|
Nc1cccc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)n1 |r|
Nc1cccc(C[C@H]2CNC[C@H]2OCCNCCc2cccc(F)c2)n1 |r|
NC1=NC(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)CCC1 |r,t:1|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2ccc(F)cc2)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cccc(F)c2)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cccc(Cl)c2)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2ccccc2Cl)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)c2cccc(F)c2)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cc(F)cc(Cl)c2)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cccc(F)c2F)c1 |r|
CN(C)CCCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|
NC(=Nc1ccc2n(CCCNC3CC3)ccc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2n(CCCN3CCOCC3)ccc2c1)c1cccs1 |w:2.2|
CCN1CCCC1CNCCCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:21.23|
NC(=Nc1ccc2n(CCCNC34CC5CC(CC(C5)C3)C4)ccc2c1)c1cccs1 |w:2.2,TLB:11:12:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.21:13,20:18:15:21.12.13,20:12:15:19.17.18|
CN(C)CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:14.15|
CN1CCCCC1CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:18.20|
CN1CCCC1CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:17.19|
CN1CCC[C@@H]1CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |r,w:17.19|
CN1CCC[C@H]1CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |r,w:17.19|
CN1CCCC1CCn1ccc2cc(ccc12)N=C(N)c1ccco1 |w:17.19|
CN1CCCC(CC1)n1ccc2cc(ccc12)N=C(N)c1cccs1 |w:17.19|
CN1CCCC(CC1)n1ccc2cc(ccc12)N=C(N)c1ccco1 |w:17.19|
CN1C2CCC1CC(C2)n1ccc2cc(ccc12)N=C(N)c1cccs1 |w:18.21|
NC(=Nc1ccc2n(ccc2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,(-1.86,-6.49,;-2.67,-5.18,;-1.95,-3.82,;-.41,-3.77,;.41,-5.08,;1.95,-5.03,;2.67,-3.67,;4.16,-3.3,;4.27,-1.76,;2.84,-1.18,;1.85,-2.36,;.31,-2.42,;5.34,-4.29,;5.34,-5.83,;6.67,-6.59,;8,-5.82,;8.06,-4.28,;6.67,-3.51,;7.41,-4.8,;6.06,-5.17,;-4.21,-5.23,;-5.06,-3.94,;-6.54,-4.36,;-6.6,-5.9,;-5.16,-6.43,)|
CN1CCC(CC1)n1ccc2cc(ccc12)N=C(N)c1cccs1 |w:16.18|
NC(=Nc1ccc2n(CCN3CCCCC3)ccc2c1)c1cccs1 |w:2.2|
CN1CCCC1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19|
CN1CCCC(CC1)n1ccc2ccc(cc12)N=C(N)c1ccco1 |w:17.19|
NC(N)C1=NCC1 |t:3|
NC(=N)[C@H]1CCCN1 |r|
NC(=N)[C@@H]1CCCN1 |r|
CN1CCC(C1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:15.17|
CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|
CN1CCC(CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18|
NC(=Nc1ccc2c(c[nH]c2c1)C1=CN2CCC1CC2)c1cccs1 |w:2.2,t:14,TLB:7:12:16.15:18.19,(3.98,-16.46,;3.98,-18,;5.31,-18.77,;6.65,-18.01,;6.64,-16.48,;7.97,-15.7,;9.31,-16.48,;10.78,-16.01,;11.68,-17.26,;10.76,-18.5,;9.3,-18.02,;7.98,-18.78,;11.27,-14.55,;11.08,-13.17,;12.55,-12.53,;13.89,-13.13,;14.18,-14.53,;12.81,-13.9,;13.06,-12,;12.62,-10.89,;2.64,-18.77,;2.16,-20.23,;.61,-20.23,;.14,-18.76,;1.39,-17.85,)|
NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
CN(C)CCN1C(=O)CCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|
CCN(CC)CCN1C(=O)CCc2cc(ccc12)N=C(N)c1cccs1 |w:18.19|
NC(=Nc1ccc2N(CCN3CCCCC3)C(=O)CCc2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2N(CCN3CCCC3)C(=O)CCc2c1)c1cccs1 |w:2.2|
CN1CCCC1CCN1C(=O)CCc2cc(ccc12)N=C(N)c1cccs1 |w:19.21|
CN(C)CCN1C(=O)CCc2cc(cc(F)c12)N=C(N)c1cccs1 |w:17.18|
CN(C)CCCN1C(=O)CCc2cc(ccc12)N=C(N)c1cccs1 |w:17.18|
NC(=Nc1ccc2N(CCCN3CCCC3)C(=O)CCc2c1)c1cccs1 |w:2.2|
CN(C)CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|
CN1CCC[C@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |r,w:18.20|
CN1CCC[C@@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |r,w:18.20|
CCN(CC)CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:17.18|
CN(C)CCN1CCCc2cc(cc(F)c12)N=C(N)c1cccs1 |w:16.17|
CN(C)CCCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|
NC(=Nc1ccc2N(CCCN3CCCC3)CCCc2c1)c1cccs1 |w:2.2|
CN1CCC(CC1)N1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:17.19|
NC(=Nc1ccc2N(CCCc2c1)C1CCNCC1)c1cccs1 |w:2.2|
CN1CCC(C1)N1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.18|
Fc1cccc2c(Cn3c(nc4nccnc34)C3CC(F)(F)C3)cc(=O)[nH]c12
CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Fc1ccc2c(Cn3c(nc4ccccc34)-c3cncs3)cc(=O)[nH]c2c1F
Cn1cncc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Cc1ccncc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Fc1ccc2c(Cn3c(nc4ccccc34)-c3ccccn3)cc(=O)[nH]c2c1F
Fc1ccc2c(Cn3c(nc4ccccc34)-c3cccnc3)cc(=O)[nH]c2c1F
CCc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
CC(C)(C)c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Fc1ccc2c(Cn3c(CC4CCCC4)nc4ccccc34)cc(=O)[nH]c2c1F
Fc1ccc2c(Cn3c(nc4ccccc34)C3CCCC3)cc(=O)[nH]c2c1F
Fc1ccc2c(Cn3c(nc4ccccc34)C3CCCCC3)cc(=O)[nH]c2c1F
CC(C)Cc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
CC(C)CCc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Fc1ccc2c(Cn3c(nc4ccncc34)C3CCC3)cc(=O)[nH]c2c1F
Fc1ccc2c(Cn3c(nc4cccnc34)C3CCC3)cc(=O)[nH]c2c1F
Cc1ccnc2n(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c(nc12)C1CCC1
Fc1ccc2c(Cn3c(nc4c(Cl)ccnc34)C3CCC3)cc(=O)[nH]c2c1F
COc1ccnc2n(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c(nc12)C1CCC1
CN(C)c1ccnc2n(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c(nc12)C1CCC1
Fc1ccc2c(Cn3c(nc4c(ccnc34)C(F)(F)F)C3CCC3)cc(=O)[nH]c2c1F
Fc1ccc2c(Cn3c(nc4nccnc34)C3CCCC3)cc(=O)[nH]c2c1F
CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)cccc12
Fc1ccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c2c1F
Fc1cccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c12
Cc1ncsc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)cccc12
Cc1ncsc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Fc1ccc2c(Cn3c(nc4ccccc34)-c3ccncc3)cc(=O)[nH]c2c1F
Cc1cnccc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
CC(C)c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
CCCc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Fc1ccc2c(Cn3c(nc4ccccc34)C3CC3)cc(=O)[nH]c2c1F
Fc1ccc2c(Cn3c(nc4ccccc34)C3CCC3)cc(=O)[nH]c2c1F
Fc1ccc2c(Cn3c(CC4CC4)nc4ccccc34)cc(=O)[nH]c2c1F
Fc1ccc2c(Cn3c(CC4CCC4)nc4ccccc34)cc(=O)[nH]c2c1F
Fc1ccc2c(Cn3c(nc4ncccc34)C3CCC3)cc(=O)[nH]c2c1F
Fc1ccc2c(Cn3c(nc4cnccc34)C3CCC3)cc(=O)[nH]c2c1F
CC(C)c1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Fc1ccc2c(Cn3c(nc4nccnc34)C3CC(F)(F)C3)cc(=O)[nH]c2c1F
Fc1ccc2c(CN(c3ccccc3)c3cccc(Cl)c3)cc(=O)[nH]c2c1F
Fc1ccc2c(CN(c3cccc(Cl)c3)c3ccccn3)cc(=O)[nH]c2c1F
Fc1ccc2c(CN(c3ccncc3)c3cccc(Cl)c3)cc(=O)[nH]c2c1F
Fc1ccc2c(CN(c3cccc(Cl)c3)c3cccnn3)cc(=O)[nH]c2c1F
Fc1ccc2c(CN(c3cccc(Cl)c3)c3ccncn3)cc(=O)[nH]c2c1F
Fc1ccc2c(CN(c3cccc(Cl)c3)c3cnccn3)cc(=O)[nH]c2c1F
Fc1ccc2c(CN(c3cccc(Cl)c3)c3ncccn3)cc(=O)[nH]c2c1F
Fc1ccc2c(CN(c3cncnc3)c3cccc(Cl)c3)cc(=O)[nH]c2c1F
Fc1ccc2c(CN(Cc3ccccc3)c3cnccn3)cc(=O)[nH]c2c1F
Fc1ccc2c(CN(Cc3ccccc3Cl)c3cnccn3)cc(=O)[nH]c2c1F
Fc1ccc2c(CN(Cc3cccc(Cl)c3)c3cnccn3)cc(=O)[nH]c2c1F
Fc1ccc2c(CN(Cc3ccc(Cl)cc3)c3cnccn3)cc(=O)[nH]c2c1F
Fc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1
Cc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1
Fc1ccc2c(CN(Cc3ccccn3)c3cnccn3)cc(=O)[nH]c2c1F
Cc1nccc(n1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Cc1cc(ncn1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Cc1cccnc1N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
CN(C)c1nccc(n1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
COc1cc(ncn1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Cn1ncc2c(ncnc12)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Fc1ccc2c(CN(c3cccnc3)c3cccc(Cl)c3)cc(=O)[nH]c2c1F
CN(C)c1cc(ncn1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
CN(CCCNCCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
CN(CCN1CCCC1c1cc(C)nc(n1)-n1ccnc1)Cc1ccc2OCOc2c1
C(CNCc1ccc2OCOc2c1)CN(Cc1cccnc1)c1nc(ns1)-n1ccnc1
C(CNCc1ccc2OCOc2c1)CN(Cc1nccs1)c1nc(ns1)-n1ccnc1
Cc1cc(nc(n1)-n1ccnc1)C1CCCN1C(=O)NCCc1ccc2OCOc2c1
CCCN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
C(CNCc1ccc2OCOc2c1)CN(Cc1cccs1)c1nc(ns1)-n1ccnc1
N#CCN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
Cc1cc(CNC(=O)NCCc2ccc3OCOc3c2)nc(n1)-n1ccnc1
C(CNCc1ccc2OCOc2c1)CN(Cc1ccco1)c1nc(ns1)-n1ccnc1
Cc1cc(CCCCNCc2ccc3OCOc3c2)nc(n1)-n1ccnc1
CC(NCCN(C)Cc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1
Cc1cc(nc(n1)-n1ccnc1)C1CCCN1C(=O)CNCc1ccc2OCOc2c1
CCOC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
Cc1cc(nc(n1)-n1ccnc1)C1CCCN1CC(=O)NCc1ccc2OCOc2c1
Oc1ccc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)cc1
C(CNCc1ccc2OCOc2c1)CN(C1CC1)c1nc(ns1)-n1ccnc1
CNC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
Cn1cnc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)c1
CN(C)C(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
NC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
C(CNCc1ccc2OCOc2c1)CN(Cc1ccc2occc2c1)c1nc(ns1)-n1ccnc1
CN(C)c1ccc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)cc1
CC(NCCOCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1
Cc1cc(CNC(=O)CNCc2ccc3OCOc3c2)nc(n1)-n1ccnc1
CN(CCn1cccc1-c1cc(C)nc(n1)-n1ccnc1)Cc1ccc2OCOc2c1
Cc1cc(nc(n1)-n1ccnc1)C(C)(C)NCCNCc1ccc2OCOc2c1
C(CNCc1ccc2OCOc2c1)CN(Cc1nnn[nH]1)c1nc(ns1)-n1ccnc1
CN(CCNC(=O)c1cc(C)nc(n1)-n1ccnc1)Cc1ccc2OCOc2c1
OC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
CN(CCCNCc1ccccc1)c1nc(ns1)-n1ccnc1
CN(CCCNCc1ccc2OCCOc2c1)c1nc(ns1)-n1ccnc1
COc1ccc(CNCCCN(C)c2nc(ns2)-n2ccnc2)cc1
COc1ccc(CNCCCN(C)c2nc(ns2)-n2ccnc2)cc1OC
CN(CCCNCc1ccc(F)c(F)c1)c1nc(ns1)-n1ccnc1
CN(CCCNCc1ccncc1)c1nc(ns1)-n1ccnc1
CN(CCCNCc1ccc2[nH]ccc2c1)c1nc(ns1)-n1ccnc1
CN(CCCNC(=O)c1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
CN(CCCNCc1ccc2OC(F)(F)Oc2c1)c1nc(ns1)-n1ccnc1
CCc1nc(C)cn1CC(=O)c1ccc(cc1)[N+]([O-])=O
[O-][N+](=O)c1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)cn1
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc(c1)-c1ccccc1
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1ccnc1-c1ccccc1
CCCc1nccn1CC(=O)c1ccc(cc1)[N+]([O-])=O
Cc1cncn1CC(=O)c1ccc(cc1)[N+]([O-])=O
Cc1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)cn1
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cc2cccc([N+]([O-])=O)c2n1
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cc2ccccc2n1
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1nc2ccccc2n1
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc2ncccc12
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1nnc2ccccc12
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc2cccnc12
Cc1cc2ncn(CC(=O)c3ccc(cc3)[N+]([O-])=O)c2cc1C
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc2ccccc12
CC(C)c1nccn1CC(=O)c1ccc(cc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cncn1
Cc1cc(C)n(CC(=O)c2ccc(cc2)[N+]([O-])=O)n1
Cc1ccnn1CC(=O)c1ccc(cc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cccn1
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1
CN(CCC[C@H](N)C(O)=O)C(NO)N=O |r|
CN(CCC[C@H](N)C(O)=O)C(N)=O |r|
CC(C)CCN1CCC(CC1)N(C)Cc1cc(Cl)ccc1C#N
CN(Cc1cc(Cl)ccc1C#N)C1CCCNCC1 |w:12.12|
CC(C)N(Cc1cc(Cl)ccc1C#N)C1CCNCC1
CCN1CCC(CC1)N(C)Cc1cc(Cl)ccc1C#N
CN(Cc1cc(Cl)ccc1C#N)C1CCNCC1
CN(Cc1cc(Cl)ccc1Br)C1CCN(C)CC1
CN(Cc1cc(Br)ccc1C#N)C1CCN(C)CC1
CN(Cc1cc(Cl)ccc1[N+]([O-])=O)C1CCN(C)CC1
CN(Cc1cc(Cl)ccc1C#N)C1CCN(C)CC1
Clc1ccc(C#N)c(CN(CC2CC2)C2CCNCC2)c1
CN(Cc1cc(Cl)ccc1C#N)C1CCCNC1 |w:12.12|
CCCN(Cc1cc(Cl)ccc1C#N)C1CCNCC1
CN(Cc1cc(Cl)ccc1C#N)C1CCN(CC2CC2)CC1
CCCN1CCC(CC1)N(C)Cc1cc(Cl)ccc1C#N
CN(Cc1cc(Cl)ccc1C#N)C1CCNC1 |w:12.12|
CN(Cc1cc(Cl)ccc1C#N)C1CCN(Cc2ccccc2)CC1
CCCCN1CCC(CC1)N(C)Cc1cc(Cl)ccc1C#N
CN(Cc1cc(Cl)ccc1C(F)(F)F)C1CCN(C)CC1
CCN(Cc1cc(Cl)ccc1C#N)C1CCNCC1
CN(Cc1cc(Cl)ccc1C#N)C1CCN(CCc2ccccc2)CC1
COC(=O)[C@@H](N)CCCNC(N)=NC |r,w:12.12|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2F)c1 |r|
COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2O)c1 |r|
Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccco2)c1 |r|
CN[C@H]1CC[C@H](CC1)N1CCc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wD:5.8,2.1,(9.98,-4.84,;11.31,-4.07,;11.31,-2.53,;12.65,-1.76,;12.65,-.21,;11.31,.55,;9.98,-.22,;9.98,-1.76,;11.32,2.09,;12.23,3.35,;11.32,4.6,;9.84,4.12,;8.51,4.88,;7.18,4.11,;7.18,2.57,;8.51,1.8,;9.84,2.57,;5.84,1.8,;4.51,2.57,;4.51,4.11,;3.18,1.8,;1.77,2.44,;.74,1.29,;1.51,-.04,;3.02,.28,)|
NC(=Nc1ccc2CCN(C3CCCCC3)c2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2CCN(C3CCOCC3)c2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2CCN(C3CCSCC3)c2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2CCN(CCN3CC[C@@H](O)C3)c2c1)c1cccs1 |r,w:2.2|
NC(=Nc1ccc2CCN(CCNCCO)c2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2CCN(C3CCNC3)c2c1)c1cccs1 |w:2.2|
NC(=Nc1ccc2CCN(C3CCNCC3)c2c1)c1cccs1 |w:2.2|
NC(=Nc1cc2N(CCc2cc1F)C1CCNCC1)c1cccs1 |w:2.2|
CN[C@H]1CC[C@@H](CC1)N1CCc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wU:2.1,wD:5.8,(9.98,-4.84,;11.31,-4.07,;11.31,-2.53,;9.98,-1.76,;9.98,-.22,;11.31,.55,;12.65,-.21,;12.65,-1.76,;11.32,2.09,;12.23,3.35,;11.32,4.6,;9.84,4.12,;8.51,4.88,;7.18,4.11,;7.18,2.57,;8.51,1.8,;9.84,2.57,;5.84,1.8,;4.51,2.57,;4.51,4.11,;3.18,1.8,;1.77,2.44,;.74,1.29,;1.51,-.04,;3.02,.28,)|
CN[C@H]1CC[C@H](CC1)N1CCc2cc(F)c(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:5.8,2.1,(7.37,-3.67,;8.7,-2.9,;8.7,-1.36,;10.04,-.59,;10.04,.95,;8.7,1.71,;7.37,.94,;7.37,-.59,;8.71,3.26,;9.62,4.51,;8.71,5.77,;7.23,5.29,;5.9,6.05,;4.57,5.28,;3.23,6.05,;4.57,3.74,;5.9,2.97,;7.23,3.74,;3.23,2.97,;1.9,3.74,;1.9,5.28,;.57,2.97,;-.84,3.6,;-1.87,2.46,;-1.1,1.13,;.41,1.45,)|
CN[C@H]1CC[C@@H](CC1)N1CCc2cc(F)c(cc12)N=C(N)c1cccs1 |r,w:18.20,wU:2.1,wD:5.8,(10.87,-4.48,;12.2,-3.71,;12.2,-2.17,;10.87,-1.4,;10.87,.13,;12.21,.91,;13.54,.14,;13.54,-1.4,;12.21,2.45,;13.12,3.7,;12.21,4.96,;10.73,4.48,;9.4,5.24,;8.07,4.47,;6.74,5.24,;8.07,2.93,;9.4,2.16,;10.73,2.93,;6.73,2.16,;5.4,2.93,;5.4,4.47,;4.07,2.16,;2.66,2.79,;1.63,1.65,;2.4,.32,;3.91,.64,)|
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccc(C)s1 |w:16.18,c:4|
CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccccc1 |w:16.18|
CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|
NC(=Nc1ccc2N(CCN3CCCC3)CCCCc2c1)c1cccs1 |w:2.2|
CN1CCCC1CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:19.21|
CNCCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|
CN1CCC(CC1)N1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:18.20|
NC(=Nc1ccc2N(CCCCc2c1)C1CCNCC1)c1cccs1 |w:2.2|
NC(=Nc1ccc2N(CCCCc2c1)C1CCNC1)c1cccs1 |w:2.2|
CN1CCC(C1)N1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:17.19|
NC(=Nc1ccc2N(CCN3CCCCC3)CCCCc2c1)c1cccs1 |w:2.2|
N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N1C[C@@H](N)C[C@@H]1C(N)=O |r,w:5.4|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N1C[C@@H](C[C@@H]1C(N)=O)NC(=O)C(F)(F)F |r,w:5.4|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N1C[C@@H](N)C[C@@H]1C(N)=O |r,w:5.4|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H]1CN[C@H](C1)C(N)=O |r,w:5.4|
N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N1C[C@H](N)C[C@@H]1C(N)=O |r,w:5.4|
N[C@@H]1CN[C@H](C1)C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:13.13|
N[C@H]1CN[C@H](C1)C(=O)N[C@H](CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:13.13|
N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N1C[C@H](C[C@@H]1C(N)=O)NC(=O)C(F)(F)F |r,w:5.4|
NC(=O)[C@H](CCCN=C(N)N[N+]([O-])=O)CC(=O)[C@H]1C[C@H](CN1)N=[N+]=[N-] |r,w:7.6|
NC(=O)[C@@H](CCCN=C(N)N[N+]([O-])=O)NC(=O)[C@H]1C[C@H](CN1)N=[N+]=[N-] |r,w:7.6|
NC(=O)[C@H](CCCN=C(N)N[N+]([O-])=O)CC(=O)[C@H]1C[C@@H](CN1)N=[N+]=[N-] |r,w:7.6|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N1C[C@H](C[C@@H]1C(N)=O)NC(=O)C(F)(F)F |r,w:5.4|
N[C@H]1CN[C@H](C1)C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:13.13|
N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N1C[C@@H](C[C@@H]1C(N)=O)NC(=O)C(F)(F)F |r,w:5.4|
N[C@@H]1CN[C@H](C1)C(=O)N[C@H](CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:13.13|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N1C[C@H](N)C[C@@H]1C(N)=O |r,w:5.4|
NC(=O)[C@@H](CCCN=C(N)N[N+]([O-])=O)NC(=O)[C@H]1C[C@@H](CN1)N=[N+]=[N-] |r,w:7.6|
NCCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:14.13|
NC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:11.10|
NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:14.13|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:5.4,19.18|
NCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:13.12|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](CC(N)=O)C(N)=O |r,w:5.4|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,w:5.4|
COC(=O)[C@@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)[C@H](N)Cc1ccccc1 |r|
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:20.20|
COC(=O)[C@@H](CCCN=C(N)N[N+]([O-])=O)NC(=O)[C@H](N)Cc1ccccc1 |w:8.7|
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)OCc1ccccc1 |r,w:16.16|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:20.20|
N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r,w:5.4|
COC(=O)[C@H](CCCN=C(N)N[N+]([O-])=O)NC(=O)[C@@H](N)Cc1ccccc1 |r,w:8.7|
COC(=O)[C@@H](CCCN=C(N)N[N+]([O-])=O)NC(=O)[C@@H](N)Cc1ccccc1 |w:8.7|
CN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wD:5.8,2.1,(11.34,3.76,;9.8,3.77,;9.03,2.44,;7.48,2.45,;6.7,1.12,;7.46,-.2,;9.01,-.22,;9.78,1.1,;6.69,-1.53,;7.6,-2.79,;6.69,-4.04,;5.21,-3.56,;3.88,-4.33,;2.55,-3.56,;2.55,-2.02,;3.88,-1.25,;5.21,-2.01,;1.22,-1.25,;-.12,-2.02,;-.12,-3.56,;-1.45,-1.25,;-1.47,.3,;-2.94,.75,;-3.83,-.51,;-2.9,-1.74,)|
CN[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wU:5.8,wD:2.1,(11.34,3.76,;9.8,3.77,;9.03,2.44,;7.48,2.45,;6.7,1.12,;7.46,-.2,;9.01,-.22,;9.78,1.1,;6.69,-1.53,;7.6,-2.79,;6.69,-4.04,;5.21,-3.56,;3.88,-4.33,;2.55,-3.56,;2.55,-2.02,;3.88,-1.25,;5.21,-2.01,;1.22,-1.25,;-.12,-2.02,;-.12,-3.56,;-1.45,-1.25,;-1.47,.3,;-2.94,.75,;-3.83,-.51,;-2.9,-1.74,)|
CCN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:6.9,3.2,(9.61,2.88,;8.83,1.56,;7.29,1.57,;6.51,.24,;4.97,.25,;4.18,-1.08,;4.94,-2.41,;6.49,-2.42,;7.27,-1.1,;4.17,-3.74,;5.08,-4.99,;4.17,-6.25,;2.7,-5.77,;1.36,-6.54,;.03,-5.77,;.03,-4.22,;1.36,-3.45,;2.7,-4.22,;-1.3,-3.45,;-2.63,-4.22,;-2.63,-5.76,;-3.97,-3.45,;-3.99,-1.91,;-5.46,-1.46,;-6.34,-2.72,;-5.42,-3.95,)|
CN[C@H]1CCC[C@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
CN[C@H]1CCC[C@@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
CCN[C@H]1CCC[C@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20|
CCN[C@H]1CCC[C@@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20|
CN(C)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:6.9,3.2,(16.22,-3.48,;14.68,-3.47,;13.92,-2.13,;13.9,-4.8,;12.36,-4.79,;11.58,-6.12,;12.34,-7.45,;13.89,-7.46,;14.66,-6.14,;11.56,-8.78,;12.48,-10.03,;11.56,-11.28,;10.09,-10.81,;8.76,-11.58,;7.42,-10.81,;7.42,-9.26,;8.75,-8.49,;10.09,-9.25,;6.09,-8.49,;4.76,-9.26,;4.76,-10.8,;3.42,-8.49,;3.4,-6.95,;1.93,-6.5,;1.05,-7.76,;1.97,-8.99,)|
CN(C)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wU:6.9,wD:3.2,(18.44,-8.44,;16.9,-8.43,;16.14,-7.09,;16.12,-9.76,;14.58,-9.75,;13.8,-11.08,;14.56,-12.41,;16.11,-12.42,;16.88,-11.1,;13.79,-13.74,;14.7,-14.99,;13.79,-16.25,;12.31,-15.77,;10.98,-16.54,;9.65,-15.77,;9.65,-14.22,;10.98,-13.45,;12.31,-14.22,;8.31,-13.45,;6.98,-14.22,;6.98,-15.76,;5.65,-13.45,;5.63,-11.91,;4.16,-11.46,;3.27,-12.72,;4.2,-13.95,)|
CCNC1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:18.20,c:6|
CCN[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wU:6.9,wD:3.2,(22.56,-11.22,;21.78,-12.55,;20.24,-12.54,;19.46,-13.87,;17.92,-13.86,;17.13,-15.19,;17.89,-16.52,;19.44,-16.53,;20.22,-15.21,;17.12,-17.85,;18.03,-19.1,;17.12,-20.36,;15.65,-19.88,;14.31,-20.65,;12.98,-19.88,;12.98,-18.33,;14.31,-17.56,;15.65,-18.33,;11.65,-17.56,;10.32,-18.33,;10.32,-19.87,;8.98,-17.56,;8.96,-16.02,;7.49,-15.57,;6.61,-16.83,;7.53,-18.06,)|
CCC[C@H]1COc2ccsc2C(N)=N1 |r,c:13|
OCCNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
N=C(Nc1ccc2N(CCCc2c1)C1CCNC1)c1cccs1
OCCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CC(C)NCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CN(CCO)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CCN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2cccs2)cc1 |w:24.25|
CCOc1ccc(Cc2nc3cc(ccc3n2CCN(C)C)N=C(N)c2cccs2)cc1 |w:22.23|
CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)N=C(N)c2cccs2)cc1 |w:25.27|
CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccco2)cc1 |w:24.25|
CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)[N+]([O-])=O)cc1
CCOc1ccc(Cc2nc3cc(ccc3n2C2CCN(C)CC2)N=C(N)c2cccs2)cc1 |w:24.26|
CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccsc2)cc1 |w:24.25|
C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12 |r,c:4|
CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccoc2)cc1 |w:24.25|
CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(C)N)cc1 |w:24.25|
CCOc1ccc(Cc2nc3cc(NC(N)=N[N+]([O-])=O)ccc3n2CCN(CC)CC)cc1 |w:16.16|
CCOc1ccc(Cc2nc3ccc(cc3n2CCN(CC)CC)N=C(N)c2cccs2)cc1 |w:24.25|
N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](CO)C(N)=O |r,w:5.4|
NCCC[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:13.12|
NCCCC[C@H](N)C(=O)N[C@H](CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:14.13|
Cc1cc(N)nc(CCc2cc(CCc3cc(C)cc(N)n3)cc(c2)C#N)c1
Cc1cc(N)nc(CCc2cc(CN)cc(CCc3cc(C)cc(N)n3)c2)c1
Cc1cc(N)nc(CCc2ccc(CCCN)c(CCc3cc(C)cc(N)n3)c2)c1
Cc1cc(N)nc(CCc2cc(CCCN)cc(CCc3cc(C)cc(N)n3)c2)c1
CN1CCN(CC1)c1cc(CCc2cc(C)cc(N)n2)cc(CCc2cc(C)cc(N)n2)c1
Cc1cc(N)nc(CCc2cc(CCc3cc(C)cc(N)n3)cc(c2)N2CCNCC2)c1
CC(N)=NCCCC[C@H](N)C(=O)Nc1nnn[nH]1 |r,w:3.3|
COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(nc2)C#N)c1
COc1ccnc(CCc2nc3nc(OC)ccc3[nH]2)c1
COc1ccnc(CCc2nc3nc(C)cc(C)c3[nH]2)c1
COc1ccnc(CCc2nc3nccc(OC)c3[nH]2)c1
COc1ccnc(CCc2nc3nccc(OCCc4ccccc4)c3[nH]2)c1
CCCCc1cnc2nc(CCc3cc(OC)ccn3)[nH]c2c1
COc1ccnc(CCc2nc3ncc(cc3[nH]2)-c2ccccc2)c1
COCCOc1ccnc2nc(CCc3cc(OC)ccn3)[nH]c12
NC(=Nc1ccc(CCNCCc2cccc(Cl)c2)cc1)c1cccs1 |w:2.2|
COc1ccnc(CSc2nc3ncccc3[nH]2)c1
COc1ccnc(CSc2nc3ccccc3[nH]2)c1
COc1ccnc(CSC)c1
COc1ccnc(CSC)c1OC
COc1ccnc(CCc2nc3ncccc3[nH]2)c1
COc1ccnc(CCc2nc3nccc(C)c3[nH]2)c1
COc1ccnc(CSc2nc3ccncc3[nH]2)c1
COc1cnc(CSC)cc1OC
COc1ccnc(CCc2nc3ncc(Br)cc3[nH]2)c1
C[C@H](Cc1cccc(F)c1)NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN[C@H]2C[C@@H]2c2cccc(F)c2)c1 |r|
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNC2CC2c2cccc(Cl)c2)c1 |r|
Cc1cccc(c1)C1CC1NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r|
C[C@@H](OCc1cc(C)cc(N)n1)[C@H](N)COCc1cc(C)cc(N)n1 |r|
C[C@H](OCc1cc(C)cc(N)n1)[C@@H](N)COCc1cc(C)cc(N)n1 |r|
C[C@H](OCc1cc(C)cc(N)n1)[C@H](N)COCc1cc(C)cc(N)n1 |r|
Cc1cc(N)nc(COC[C@H](CN)OCc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(COC[C@@H](CN)OCc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(COCCOCc2cc(C)cc(N)n2)c1
Cc1cc(N)nc(COC[C@H](CCN)OCc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(COC[C@@H](CCN)OCc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(COCC[C@@H](CN)OCc2cc(C)cc(N)n2)c1 |r|
CC(=O)O[C@@H]1Cc2c(OC(C)=O)cc(OC(C)=O)cc2O[C@@H]1c1ccc(OC(C)=O)c(OC(C)=O)c1 |r|
CCOc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O |r|
Nc1ccc2ccc(CCNCCc3ccc(Cl)cc3)cc2n1
Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1
Nc1ccc2ccc(CCNCCc3ccc(F)cc3)cc2n1
Nc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1
Nc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1
Nc1ccc2ccc(CCNCCc3cccc(F)c3)cc2n1
Nc1ccc2ccc(CCNCc3cccc(F)c3)cc2n1
Nc1ccc2ccc(CNCCc3cccc(F)c3)cc2n1
NC(=Nc1cccc(CCNCc2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:18.18,2.2|
NC(=Nc1cccc(OCCCOc2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:2.2,19.19|
NC(=Nc1cccc(OCCOc2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:2.2,18.18|
NC(=Nc1cccc(OCC(O)c2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:18.18,2.2|
NC(=Nc1cccc(CCc2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:2.2,16.16|
NC(=Nc1cccc(Cc2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:2.2,15.15|
NC(=Nc1cccc(c1)-c1cccc(c1)N=C(N)c1cccs1)c1cccs1 |w:2.2,15.16|
CCN(CCc1cccc(F)c1)Cc1cccc(c1)N=C(N)c1cccs1 |w:19.20|
NC(=Nc1cccc(CNCCc2cccc(F)c2)c1)c1cccs1 |w:2.2|
CCN(CCc1ccc(cc1)N=C(N)c1cccs1)Cc1cccc(NC(=N)c2cccs2)c1 |w:11.11|
NC(=Nc1ccc(CCNCc2cccc(c2)N=C(N)c2cccs2)cc1)c1cccs1 |w:2.2,17.17|
Cc1cc(N)nc(CO[C@H]2CN[C@@H](COCCOCc3cccc(F)c3)C2)c1 |r|
Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1 |r|
Cc1cc(N)nc(COCCOC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(COCCOC[C@@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(COC[C@@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(COC[C@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(COC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(COC[C@@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(CCCCCc2cc(C)cc(N)n2)c1
Cc1cc(N)nc(COc2cncc(CNCCc3cccc(F)c3)c2)c1
Cc1cc(N)nc(COCc2cccc(CNCCc3cccc(F)c3)n2)c1
Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1
Cc1cc(N)nc(COc2cccc(OCC3CCNCC3)c2)c1
Cc1cc(N)nc(COc2cccc(OCc3ccncc3)c2)c1
Cc1cc(N)nc(COc2cccc(OCCCN)c2)c1
Cc1cc(N)nc(CCCCCCCc2cc(C)cc(N)n2)c1
Cc1cc(N)nc(CCCCCCc2cc(C)cc(N)n2)c1
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc2ccccn2)c1 |r|
Cc1ccnc(CCCCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(COC[C@H]2C[C@H](COc3cc(C)cc(N)n3)CN2)c1 |r|
Cc1cc(N)nc(CCc2cncc(c2)C(CN)Cc2cc(C)cc(N)n2)c1 |w:15.16|
Cc1cc(N)nc(CCc2cccc(c2)[C@@H](N)Cc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(CCc2cccc(c2)[C@H](N)Cc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(CCc2cccc(c2)C(O)Cc2cc(C)cc(N)n2)c1
Cc1ccnc(CCc2cccc(c2)[C@@H](N)Cc2cc(C)cc(N)n2)c1 |r|
Cc1ccnc(CCc2cccc(c2)[C@H](N)Cc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(CCc2cccc(c2)C(CN)Cc2cc(C)cc(N)n2)c1
Cc1cc(N)nc(CCc2cccc(n2)C(CN)Cc2cc(C)cc(N)n2)c1
Cc1cc(N)nc(CCc2cncc(c2)C(CN)Cc2cc(C)cc(N)n2)c1
Cc1cc(N)nc(CCc2cncc(c2)[C@@H](CN)Cc2cc(C)cc(N)n2)c1 |r|
Cc1cc(N)nc(CCc2cncc(c2)[C@H](CN)Cc2cc(C)cc(N)n2)c1 |r|
Cl.Fc1cccc(C[C@@H]2C[C@H]2NCCc2ccnc(n2)-n2ccnc2)c1 |r|
Cl.Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1
CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1
CN(C)CCCc1cncc(CCc2cc(C)cc(N)n2)c1
Cl.N#Cc1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1
Cl.Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1
Cl.Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1
Cl.Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Cl.Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1
Cl.Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1
CN1CCN(CC1)c1cncc(CCc2cc(C)cc(N)n2)c1
CN1CCC(CC1)c1cncc(CCc2cc(C)cc(N)n2)c1
N=C(Nc1cccc(COC[C@@H]2C[C@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|
NC[C@@H](COCc1cccc(NC(=N)c2cccs2)c1)OCc1cccc(NC(=N)c2cccs2)c1 |r|
Fc1cccc(CO[C@H]2CN[C@H](COc3cccc(NC(=N)c4cccs4)c3)C2)c1 |r|
N=C(Nc1ccc(OC[C@@H]2C[C@H](CN2)Oc2cccc(NC(=N)c3cccs3)c2)cc1)c1cccs1 |r|
Fc1cccc(COC[C@@H]2C[C@H](CN2)Oc2cccc(NC(=N)c3cccs3)c2)c1 |r|
N=C(Nc1cccc(COC[C@H]2C[C@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|
N=C(Nc1cccc(OC[C@@H]2C[C@H](CN2)Oc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|
Cc1cc(N)nc(CCc2cc(CN)cc(CCc3ccc4cc[nH]c4n3)c2)c1
Cc1cc(N)nc(CCc2cc(NCCc3ccccn3)cc(c2)C#N)c1
CNc1cc(C)cc(CCc2cc(CCc3cc(C)cc(N)n3)cc(c2)C#N)n1
Nc1cccc(C[C@H]2CN(Cc3ccccc3)C[C@H]2NCCCc2ccccc2)n1
Cl.C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1
Cl.Fc1cccc(CCCNCc2ccnc(n2)-n2ccnc2)c1
Cl.Fc1cccc(C[C@H]2C[C@@H]2NCCc2ccnc(n2)-n2ccnc2)c1 |r|
N=C(Nc1cccc(c1)-c1cccc(NC(=N)c2cccs2)c1)c1cccs1
N=C(Nc1cccc(\C=C/c2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
OC(COc1cccc(NC(=N)c2cccs2)c1)c1cccc(NC(=N)c2cccs2)c1
N=C(Nc1cccc(OCCCOc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
N=C(Nc1cccc(CCNCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
N=C(Nc1ccc(CNCCc2cccc(NC(=N)c3cccs3)c2)cc1)c1cccs1
N=C(Nc1cccc(CCNC2CCNC2)c1)c1cccs1
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCc1cccc(NC(=N)c2cccs2)c1
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCc1ccc(NC(=N)c2cccs2)cc1
CCN(CCc1cccc(F)c1)Cc1cccc(NC(=N)c2cccs2)c1
N=C(Nc1cccc(COCC2NCCC2OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
N=C(Nc1cccc(COC[C@@H]2NCC[C@@H]2OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|
N=C(Nc1cccc(COC[C@H]2NCC[C@@H]2OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|
N=C(Nc1cccc(OC[C@H]2NCC[C@@H]2Oc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r|
N=C(Nc1ccc(OC[C@H]2NCC[C@@H]2Oc2cccc(NC(=N)c3cccs3)c2)cc1)c1cccs1 |r|
Fc1cccc(COC[C@H]2NCC[C@@H]2COc2cccc(NC(=N)c3cccs3)c2)c1 |r|
Fc1cccc(CO[C@@H]2CCN[C@H]2COc2cccc(NC(=N)c3cccs3)c2)c1 |r|
CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CN(CCN)c1cccc(CCc2cc(C)cc(N)n2)c1
CN(CCCN)c1cccc(CCc2cc(C)cc(N)n2)c1
CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F
CNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
CC(=N)NCc1cccc(CNC(=O)CCC(O)=O)c1
CC(=N)NCc1cccc(CNC(=O)c2ccc(cc2)C(O)=O)c1
CC(=N)NCc1cccc(CNCc2ccccc2[N+]([O-])=O)c1
CC(=N)NCc1cccc(CN(Cc2ccc(cc2)[N+]([O-])=O)Cc2ccc(cc2)[N+]([O-])=O)c1
Fc1cccc(CCNCc2cccc(NC(=N)c3cccs3)c2)c1
Clc1cccc(CNCCc2ccc(NC(=N)c3cccs3)cc2)c1
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r|
CN(C)CCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Cc1cc(N)nc(CCc2cncc(c2)N2CCOCC2)c1
CN(C)c1cncc(CCc2cc(C)cc(N)n2)c1
Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1
[C-]#[N+]c1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1
C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1
Cc1cn(cn1)-c1nccc(CCNCCCc2cccc(F)c2)n1
Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1
Fc1cccc(CCCNCc2ccnc(n2)-n2ccnc2)c1
Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1
Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1
CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
CN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1
CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1
CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F
CN(C)CCCc1cccc(CCc2cc(C)cc(N)n2)c1
CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1
CNCc1cccc(c1)-c1cncc(CCc2cc(C)cc(N)n2)c1
CNCc1ccc(cc1)-c1cncc(CCc2cc(C)cc(N)n2)c1
CNCc1ccc(cc1)-c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
CNCCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1
CN(C)c1cccc(CNCc2ccc3ccc(N)nc3c2)c1
Cc1ccncc1CCCNCc1ccc2ccc(N)nc2c1
Cc1cc(CCNCc2ccc3ccc(N)nc3c2)ccc1C#N
CN(C)c1ccc(CNCc2ccc3ccc(N)nc3c2)cc1
Cc1cc(N)nc2cc(CNCCc3ccc(cc3)C#N)ccc12
Nc1ccc2ccc(CNCCc3ccc(C#N)c(Cl)c3)cc2n1
Nc1ccc2ccc(CNCCc3cccc(c3)C#N)cc2n1
COc1ccncc1CCCNCc1ccc2ccc(N)nc2c1
Nc1ccc2ccc(CNCCCc3cccnc3)cc2n1
CN(C)c1ccc(CCNCc2ccc3ccc(N)nc3c2)cc1
Nc1ccc2ccc(CNc3cccc(c3)C#N)cc2n1
CNCc1cccc(c1)-c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1
Cc1cc(CCNCc2ccc3c(C)cc(N)nc3c2)ccc1C#N
Nc1ccc2ccc(CNCCc3ccc(cc3)C#N)cc2n1
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCc1cc(CNC)cc(OCc2ccc3ccc(N)nc3c2)c1
CNC(C)Cc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N
Cl.Cl.CNCc1cc(OCc2ccc3ccc(N)nc3c2)cc(c1)C#N
CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N
CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)ccc1Cl
CCc1cc(CNC)cc(OCc2ccc3c(C)cc(N)nc3c2)c1
CNCCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N
Cl.Cl.CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N
Cl.Cl.CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(C#N)c1F
CNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
CNCc1cccc(OCc2ccc3c(C)cc(N)nc3c2)c1
Cl.Cl.CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1
CN[C@H](C)Cc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N |r|
CN[C@@H](C)Cc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N |r|
CN(C)CCNc1cccc(CCc2cc(C)cc(N)n2)c1
CCNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
CC(C)NCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
CN(CCNC1CC1)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
CN(C)CCNc1cc(F)cc(CCc2cc(C)cc(N)n2)c1
CCNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
CN(CCNC1CC1)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
CCN(CCNC)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
Cc1cc(N)nc(CCc2cc(F)cc(NCc3cccc(Cl)c3)c2)c1
Cc1cc(N)nc(CCc2cc(F)cc(NCc3cccnc3)c2)c1
Cc1cc(N)nc(CCc2cc(F)cc(c2)N2CCNCC2)c1
Cc1cc(N)nc(CCc2cc(F)cc(NC3CCNCC3)c2)c1
Cc1cc(N)nc(CCc2cccc(c2)C(O)Cc2cc(C)cc(N)n2)c1 |w:15.16|
Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H]2CCCN2)c1 |r|
Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CC(O)=O)c1 |r|
Cl.Cl.CC[C@H](C)[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r|
Cl.Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2cnc[nH]2)c1 |r|
Cl.Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCCCN)c1 |r|
Cl.Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCCNC(N)=N)c1 |r|
Cl.Cl.C[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r|
Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCC(O)=O)c1 |r|
Cl.Cl.CC(C)C[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r|
Cl.Cl.CN(C)Cc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r|
Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r|
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 |r|
CC(O)=O.CNC(=N)NCCC[C@H](N)C(=O)OC |r|
Cl.Cl.N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r|
Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r|
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |r|
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r|
Cl.Cl.NC(Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r|
Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2ccc(cc2)C#N)c(CN)c1
Cc1cc(N)nc2cc(ccc12)-c1ccc(OCC2CC2)c(CN)c1
Cl.Cl.Cc1cc(N)nc2cc(ccc12)-c1cccc(CN)c1
Cl.Cl.Cc1cc(N)nc2cc(ccc12)-c1ccccc1CN
Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cscn2)c(CN)c1
Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cocn2)c(CN)c1
Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cccnc2)c(CN)c1
CCCOc1ccc(cc1CN)-c1ccc2c(C)cc(N)nc2c1
Cl.Cl.Cc1cc(N)nc2cc(ccc12)-c1ccc(CCN)cc1
CC(C)COc1ccc(cc1CN)-c1ccc2c(C)cc(N)nc2c1
Cc1cc(N)nc2cc(ccc12)-c1ccc(OCC2CCC2)c(CN)c1
Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2ccccn2)c(CN)c1
Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cncs2)c(CN)c1
CC(C)Oc1ccc(cc1CN)-c1ccc2c(C)cc(N)nc2c1
Cl.Cl.Cc1cc(N)nc2cc(ccc12)-c1ccc(CN)cc1
CCOc1ccc(cc1CN)-c1ccc2c(C)cc(N)nc2c1
CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1
CNCC#Cc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1
CN1CC[C@@H]1CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1 |r|
Cl.Cl.COc1ccc2nc3CCCCc3c(NCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r|
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r|
Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r|
Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r|
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |r|
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r|
CN1CCC[C@H]1CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1 |r|
CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)c(F)c(F)c1F
CN1CCC[C@@H]1CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1 |r|
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r|
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r|
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 |r|
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r|
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 |r|
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r|
Br.CC(=N)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1
CC[C@H](C)[C@H](NC(=O)\C=C\c1ccc(Cl)cc1)C(=O)OC |r|
COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(Cl)c(Cl)c1 |r|
COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccc(Cl)c(Cl)c1 |r|
COC(=O)[C@H](CC(C)C)NC(=O)\C=C\c1ccc(Cl)c(Cl)c1 |r|
CC[C@H](C)[C@H](NC(=O)\C=C\c1ccc(Cl)c(Cl)c1)C(=O)OC |r|
CC[C@H](C)[C@H](NC(=O)\C=C\c1ccc(F)cc1)C(=O)OC |r|
COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1Cl |r|
COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccccc1Cl |r|
COC(=O)[C@H](CC(C)C)NC(=O)\C=C\c1ccccc1Cl |r|
COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r|
COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r|
COC(=O)[C@H](CC(C)C)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r|
CC[C@H](C)[C@H](NC(=O)\C=C\c1ccc(cc1)C(F)(F)F)C(=O)OC |r|
COc1cc(\C=C\C(=O)N[C@H](Cc2ccc(O)cc2)C(O)=O)ccc1O |r|
CC[C@H](C)[C@H](NC(=O)\C=C\c1ccccc1Cl)C(=O)OC |r|
COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(Cl)cc1 |r|
COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccc(Cl)cc1 |r|
COC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(F)cc1 |r|
COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccc(F)cc1 |r|
COC(=O)[C@H](CC(C)C)NC(=O)\C=C\c1ccc(F)cc1 |r|
COC(=O)[C@H](CC(C)C)NC(=O)\C=C\c1ccc(Cl)cc1 |r|
CNCC#Cc1cc(C)cc(N)n1
CNCCCc1cc(C)cc(N)n1
CN(C)CCCc1cc(C)cc(N)n1
CN1CCN(CC#Cc2cc(C)cc(N)n2)CC1
CN1CCN(CCCc2cc(C)cc(N)n2)CC1
CN(C)CCC#Cc1cc(C)cc(N)n1
CN(C)CCCCc1cc(C)cc(N)n1
Cc1cc(N)nc(c1)C#CCN1CC(F)(F)C1
Cc1cc(N)nc(CCCN2CC(F)(F)C2)c1
Cc1cc(N)nc(c1)C#CCN1CCC(F)(F)CC1
Cc1cc(N)nc(CCCN2CCC(F)(F)CC2)c1