1048 SMILES Strings for Adenosine receptor A2a/A2b

Compound Name
SMILES String
CN1c2c([nH]cn2)C(=O)NC1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
CCCn1c2nc(nc2c2N[C@@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(=O)C1
CCCn1c2nc(nc2c2NC(CC)Cn2c1=O)C12CC3CC1CC(C2)C3 |THB:23:22:19:25.24.26,23:24:19:22.21|
Nc1nc(NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(N\N=C\C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCC(CC)N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
Nc1nc(N=NCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,t:7|
CC(C)CCN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
CCCC(C)N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
Nc1nc(N=NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Nc1nc(N=NCCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
Nc1nc(N=NCC2CCC=CC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,c:10|
Nc1nc(NCCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |t:7|
NNc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
Nc1nc(N=NCC2=CC3CCC2C3)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,t:7,TLB:6:7:13:11.10|
CC(C)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:4.3|
CCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:3.2|
CC(C)(C)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
CCCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:4.3|
CC(C)N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:3.2|
CCC(CC)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:6.5|
CCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:2.1|
CC1(C)C2CC1C(CN=Nc1nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n1)=CC2 |r,w:8.8,c:32|
CCCOc1nc(N[C@@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1
CCCOc1nc(N[C@@H](C)[C@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1
CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@H](N12)c1ccccc1 |t:4,19|
CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2cnn(-c3ccccc3)c2n1 |r|
CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19|
CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19|
CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19|
CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1
CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19|
CCCOc1nc(N[C@H](C)[C@@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1
CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@@H](N12)c1ccccc1 |t:4,19|
CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Cn1c2nc[nH]c2c(=O)n(C)c1=O
CCCn1c2nc(\C=C\c3ccc(Cl)c(Cl)c3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(CCC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Cn1cnc2c1C(=O)N(C(=O)N2C)C
CCCn1c2nc(C=Cc3ccc(OC)cc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc(C\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3CC1CC3C2 |TLB:6:17:19:24.25,6:17:21:24.23,THB:23:22:19:24.25,23:24:19:17.22.21,25:18:21:24.23,25:24:17.18.19:21,(-1.61,-5.86,;-1.61,-4.3,;-.27,-3.53,;-.27,-1.98,;1.08,-1.2,;2.55,-1.69,;3.48,-.43,;2.55,.83,;1.08,.34,;-.27,1.12,;-.27,2.68,;-1.6,.34,;-2.93,1.12,;-2.96,2.68,;-4.29,3.45,;-1.6,-1.2,;-2.93,-1.98,;5.02,-.4,;5.3,-3.04,;4.83,-1.82,;5.84,-.99,;6.17,.27,;7.49,.35,;7.96,-.87,;6.94,-1.7,;6.61,-2.96,)|
CCCn1c2nc(\C=C\c3ccc(OC)cc3)n(C)c2c(=O)n(CCC)c1=O
CCCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCCC)c1=O
CCCn1c2nc(C=Cc3ccc(Cl)c(Cl)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(\C(C)=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(CCc3ccccc3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)[nH]c1=O |w:8.8|
CCCn1c2nc(CC=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:9.9|
CCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)=Cc1ccccc1 |w:19.21|
CCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4|
CCCn1c2nc(CCC3CCCC3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(C=Cc3ccc(Cl)cc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
COc1cc(\C=C\c2nc3n(CC=C)c(=O)n(CC=C)c(=O)c3n2C)cc(OC)c1OC
CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(C=Cc3ccc(OC)c(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
COc1cc(C=Cc2nc3n(CC=C)c(=O)n(CC=C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4|
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC
CCCCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CCCC)c1=O |w:9.9|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;10.42,-11.71,;9.02,-11.71,;12.53,-10.5,;13.23,-9.29,;14.63,-9.29,;12.53,-8.06,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(O)=O |(4.04,-16.35,;4.04,-14.79,;5.38,-14.03,;5.38,-12.47,;6.72,-11.7,;8.19,-12.19,;9.1,-10.93,;8.19,-9.66,;6.72,-10.15,;5.38,-9.36,;5.38,-7.81,;4.03,-10.15,;2.68,-9.36,;2.68,-7.81,;1.34,-7.04,;4.03,-11.7,;2.66,-12.51,;10.49,-10.93,;11.19,-12.13,;12.58,-12.13,;13.29,-10.93,;12.58,-9.72,;11.19,-9.72,;14.4,-10.91,;15.05,-11.61,;14.87,-9.66,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(=O)N(C)CCN(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCCC1
CCCn1c2nc(NC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1 |wU:17.18,wD:20.22,(11.75,-19.34,;11.75,-17.81,;13.08,-17.03,;13.08,-15.5,;14.43,-14.72,;15.9,-15.18,;16.79,-13.93,;15.87,-12.69,;14.41,-13.17,;13.08,-12.41,;13.08,-10.86,;11.75,-13.19,;10.43,-12.41,;10.42,-10.88,;9.09,-10.1,;11.75,-14.72,;10.42,-15.5,;18.34,-13.93,;19.09,-12.58,;20.62,-12.58,;21.41,-13.91,;22.95,-13.91,;23.72,-15.24,;25.26,-15.24,;26.03,-16.57,;26.03,-13.91,;20.64,-15.26,;19.1,-15.26,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1C
CCCn1c2nc(NC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1=C(CCC1)C(O)=O |t:19|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(N)CC1 |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;12.53,-10.5,;10.42,-11.71,;9.02,-11.71,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC1C(O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(C1)NC(C)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CN)CC1 |(4.82,-14.36,;4.82,-12.81,;6.15,-12.03,;6.15,-10.48,;7.5,-9.72,;8.98,-10.2,;9.88,-8.93,;8.98,-7.67,;7.5,-8.15,;6.15,-7.37,;6.15,-5.82,;4.82,-8.15,;3.46,-7.37,;3.46,-5.82,;2.11,-5.03,;4.82,-9.72,;3.44,-10.52,;11.28,-8.93,;11.98,-10.15,;13.38,-10.15,;14.08,-8.93,;15.48,-8.93,;16.18,-10.15,;13.38,-7.72,;11.98,-7.72,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1C(O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(N)C1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C |(5.29,-15.74,;5.29,-14.04,;6.74,-13.19,;6.74,-11.49,;8.22,-10.65,;9.84,-11.18,;10.83,-9.79,;9.84,-8.41,;8.22,-8.94,;6.74,-8.08,;6.74,-6.38,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;5.28,-10.65,;3.77,-11.53,;12.37,-9.79,;13.13,-11.12,;14.67,-11.12,;15.43,-9.79,;14.67,-8.46,;13.13,-8.46,;16.97,-9.79,;17.74,-8.46,;17.74,-11.12,;16.97,-12.45,;19.27,-11.12,;20.04,-12.45,;21.57,-12.45,;22.34,-13.77,;22.34,-11.12,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)OC |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-11.71,;10.42,-11.71,;11.13,-10.5,;10.42,-9.29,;9.02,-9.29,;12.23,-10.48,;12.7,-9.22,;12.9,-11.18,;14.31,-11.14,)|
CCCn1c2nc(NC3CCC3)[nH]c2c(=O)n(CCC)c1=O
CCCNC(=O)C1CCC(CC1)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1 |(21.57,-12.45,;20.04,-12.45,;19.27,-11.12,;17.74,-11.12,;16.97,-9.79,;17.74,-8.46,;15.43,-9.79,;14.67,-11.12,;13.13,-11.12,;12.37,-9.79,;13.13,-8.46,;14.67,-8.46,;10.83,-9.79,;9.84,-11.18,;8.22,-10.65,;6.74,-11.49,;6.74,-13.19,;5.29,-14.04,;5.29,-15.74,;5.28,-10.65,;3.77,-11.53,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;6.74,-8.08,;6.74,-6.38,;8.22,-8.94,;9.84,-8.41,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCC1
CCCn1c2nc(CC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22|
CCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
CCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
CCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
CCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
CCCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
CCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(C1CC1)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)CC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)N
CCCn1c2nc(C(C3CC3)C3CC3)n(C(=O)OC)c2c(=O)n(CCC)c1=O
CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)C(C1CC1)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)c1ccc(OC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)C(C1CC1)C1CC1
CCCn1c2nc(C(C3CC3)C3CC3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(C(C3CC3)C3CC3)n(CC)c2c(=O)n(CCC)c1=O
CCCn1c(nc2n(CCC)c(=O)n(CCC)c(=O)c12)C(C1CC1)C1CC1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(C1CC1)C1CC1
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C(C1CC1)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1C)C1CC1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(c1ccccc1)c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CCCCC1)C1CCCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)Oc1ccccc1
CCCC(CCC)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccc(OC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)CC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)c1ccc(F)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CCCC1)c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C#N
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccncc1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(cc1)C#N
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C#N
CCCn1c(=O)n(C)c2nc(C=Cc3ccccc3)[nH]c2c1=O |w:12.12|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccsc1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
CCCn1c(=O)n(C)c2nc(CCc3ccccc3)[nH]c2c1=O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(O)cc1
CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(C)c1=O
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccnc1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccsc1
CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O |w:8.8|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccnc1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccncc1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCC1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cccs1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cccnc1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccsc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccs1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCCC1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccncc1
CC(C)CN1c2ncn(Cc3ccccc3)c2C(=O)N(C)CC1=O
CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
CC(C)Cn1c2ncn(Cc3ccccc3)c2c(=O)n(C)c1=O
CN1CC(=O)N(C)c2ncn(C)c2C1=O
CCCN1c2ncn(Cc3ccccc3)c2C(=O)NCC1=O
CCCN1c2c([nH]cn2)C(=O)NC1=O
CCN1CC(=O)N(CC)c2ncn(Cc3ccccc3)c2C1=O
CN1c2ncn(C)c2C(=O)NCC1=O
Cn1c2ncn(Cc3ccccc3)c2c(=O)n(C)c1=O
CC(C)CN1c2nc[nH]c2C(=O)N(C)CC1=O
CN1CC(=O)N(C)c2nc[nH]c2C1=O
CCCn1c2ncn(Cc3ccccc3)c2c(=O)n(CCC)c1=O
CCCN1c2nc[nH]c2C(=O)NCC1=O
Cn1cnc2c1C(=O)NC(=O)N2C
CCCN1CC(=O)N(CCC)c2ncn(Cc3ccccc3)c2C1=O
CCCN1CC(=O)N(CCC)c2ncn(C)c2C1=O
CCN1CC(=O)N(CC)c2nc[nH]c2C1=O
CCN1CC(=O)N(CC)c2ncn(C)c2C1=O
CN1CC(=O)N(C)c2ncn(Cc3ccccc3)c2C1=O
Cc1[nH]c2nc(nc(N)c2c1C)-c1ccccc1Cl
CC(c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccc(Cl)c1
Cc1[nH]c2nc(nc(N)c2c1C)-c1ccccc1
CC(c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl
O=c1[nH]cnc2n(-c3ccccc3)c3ccccc3c12
Cc1c(C)c2c(N)nc(C)nc2n1-c1ccccc1
Cc1[nH]c2nc(nc(N)c2c1C)-c1cccc(Cl)c1
Cc1[nH]c2nc(nc(N)c2c1C)-c1ccc(Cl)cc1
Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccc(Cl)cc1
Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccccc1
S=c1[nH]c2n(c3CCCCc3c2c(=S)[nH]1)-c1ccccc1
Cc1c(C)c2c(N)ncnc2n1[C@H]1C[C@H](O)[C@@H](CO)O1 |r|
Nc1ncnc2n(ccc12)-c1ccccc1
Cc1c(C)c2c(N)ncnc2n1Cc1ccc(Br)cc1
Cc1[nH]c2nc[nH]c(=O)c2c1C
Cc1[nH]c2nc(C)nc(N)c2c1C
Nc1ncnc2n(c(C(O)=O)c(C(O)=O)c12)-c1ccccc1
O=c1[nH]cnc2n(c3CCCCc3c12)-c1ccccc1
Nc1ncnc2n(c3CCCCc3c12)-c1ccccc1
Nc1ncnc2n(c(C=O)c(C=O)c12)-c1ccccc1
Nc1ncnc2n(-c3ccccc3)c3ccccc3c12
NNc1ncnc2n(-c3ccccc3)c3ccccc3c12
C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccccc1Cl
Clc1ncnc2n(-c3ccccc3)c3ccccc3c12
C1CCC(CC1)Nc1ncnc2n(-c3ccccc3)c3ccccc3c12
C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
Cc1c(C)c2c(N)ncnc2n1-c1ccccc1
CS(=O)(=O)c1nc(c2c3CCCCc3n(-c3ccccc3)c2n1)S(C)(=O)=O
Cc1c(C)c2c(N)ncnc2n1CC=C
CCCCCCn1c(C)c(C)c2c(N)ncnc12
CSc1nc(SC)c2c3CCCCc3n(-c3ccccc3)c2n1
Cc1[nH]c2ncnc(N)c2c1C
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCCC1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCC1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
CCCn1c2nc(C3CCCCC3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccc(cc1)S(O)(=O)=O
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)S(O)(=O)=O
CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccc(cc1)C(O)=O
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)C(O)=O
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C1CCCCC1
COC(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
CCCn1c2nc(-c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc(-c3ccc(cc3)S(O)(=O)=O)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1ccccc1
CCCn1c2nc(-c3ccc(cc3)C(O)=O)n(C)c2c(=O)n(CCC)c1=O
Cn1c(=O)[nH]c2nc[nH]c2c1=O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
CC(C)CCn1c(=O)n(CC(C)C)c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
CC(C)CCn1c(=O)n(CC(C)C)c2nc([nH]c2c1=O)-c1ccccc1
CC(C)CCn1c(=O)n(CC(C)C)c2nc[nH]c2c1=O
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O
CCCn1c2nc(-c3ccc(cc3)C(=O)OC)n(C)c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
Cn1cnc2cc3n(C)c(=O)n(C)c(=O)c3cc12
CCCCn1c2ccc3[nH]cnc3c2c(=O)n(CCCC)c1=O
Cn1cnc2cc3c(cc12)n(C)c(=O)n(C)c3=O
Cn1c2ccc3[nH]c(nc3c2c(=O)n(C)c1=O)-c1ccccc1
CCCn1c2cc3nc[nH]c3cc2c(=O)n(CCC)c1=O
Cn1c2cc3nc[nH]c3cc2c(=O)n(C)c1=O
CCn1c2ccc3[nH]c(nc3c2c(=O)n(CC)c1=O)-c1ccccc1
CC(C)Cn1c2ccc3[nH]cnc3c2c(=O)n(C)c1=O
CC(C)Cn1c2cc3nc[nH]c3cc2c(=O)n(C)c1=O
Cn1c2ccc3[nH]cnc3c2c(=O)n(C)c1=O
CCCn1c2ccc3[nH]cnc3c2c(=O)n(CCC)c1=O
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1
Cn1cnc2ccc3n(C)c(=O)n(C)c(=O)c3c12
CCCCn1c2cc3nc[nH]c3cc2c(=O)n(CCCC)c1=O
CCn1c2cc3nc([nH]c3cc2c(=O)n(CC)c1=O)-c1ccccc1
Cn1c2cc3nc([nH]c3cc2c(=O)n(C)c1=O)-c1ccccc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN)cc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCCCCCCCN)cc1
Cc1ccc(NC(=O)COc2ccc(cc2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC2SCC3NC(=O)NC23)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)C)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(CC)Cc2ccc(O)cc2)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C2CCCCC2)C(=O)NC2CCCCC2)cc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(C)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1
Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1OC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(N)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)c(Cl)c1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(F)cc1F
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)N(C)C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(O)ccc1O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccc(O)c1O
C=CCn1c2nc[nH]c2c(=O)n(CC=C)c1=O
Cc1nn(C)c2c(C)c3n(C)nc(C)c3cc12
CC(C)Cn1c2nc[nH]c2c(=O)n(CC(C)C)c1=O
CCn1c2nc[nH]c2c(=O)n(CC)c1=O
Cc1n[nH]c2cc3n[nH]c(C)c3cc12
CCn1nc(C)c2cc3c(C)nn(CC)c3c(C)c12
O=c1[nH]c2[nH]cnc2c(=O)[nH]1
Cc1n[nH]c2c([N+]([O-])=O)c3n[nH]c(C)c3cc12
Cc1nn(C)c2cc3n(C)nc(C)c3cc12
CCn1nc(C)c2cc3c(C)nn(CC)c3cc12
Cc1n[nH]c2c(C)c3n[nH]c(C)c3cc12
CCCn1nc(C)c2cc3c(C)nn(CCC)c3cc12
CCc1nnc2c(NC3CCC3)nc3ccccc3n12
CC(C)Nc1nc2ccccc2n2cnnc12
Cc1nnc2c(NC3CCCC3)nc3ccccc3n12
CCc1nnc2c(NCC(C)O)nc3ccccc3n12
CCc1nnc2c(NC3CC4CCC3C4)nc3ccccc3n12 |TLB:7:8:14:12.11|
CCCCc1nnc2c(NC3CCCC3)nc3ccccc3n12
CCN(CC)c1nc2ccccc2n2cnnc12
CCc1nnc2c(NC3CCCC3)nc3ccccc3n12
CCc1nnc2c(NC3CCCCC3)nc3ccccc3n12
CCc1nnc2c(NC(C)C)nc3ccccc3n12
CCc1nnc2c(NC3CC3)nc3ccccc3n12
CCc1nnc2c(Nc3ccccc3)nc3ccccc3n12
CCCc1nnc2c(NC3CCCC3)nc3ccccc3n12
C1CCC(C1)Nc1nc2ccccc2n2cnnc12
FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12
Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1cccs1
CN(C)c1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Nc1nc2ccc(Cl)cc2c2nc(nn12)C1CCCO1
Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc[nH]1
c1cc(oc1)c2nc3c4cc(ccc4nc(n3n2)N)Cl
CCC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CC(C)(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
OCCNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
CC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
COc1ccc2nc(N)n3nc(nc3c2c1)-c1ccco1
Cn1c2ccccc2c2nc(nn2c1=N)-c1ccco1
Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1
Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1
Nc1nc2ccc(OCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Nc1nc2ccc(O)cc2c2nc(nn12)-c1ccco1
Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccoc1
Nc1nc2ccccc2c2nc(nn12)-c1ccco1
OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
OC(=O)CCCn1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)C1CCCCC1
CCn1c(=O)n(C)c2nc[nH]c2c1=O
CCCCn1c(=O)[nH]c2nc[nH]c2c1=O
Cn1cnc2[nH]c(=O)[nH]c(=O)c12
Cn1cnc2[nH]c(=O)n(C)c(=O)c12
CCCn1c(=O)n(C)c2nc[nH]c2c1=O
Clc1cccc(Cn2c(=O)[nH]c3nc[nH]c3c2=O)c1
O=c1[nH]c2nc[nH]c2c(=O)n1Cc1ccccc1
C=CCn1cnc2n(CC=C)c(=O)[nH]c(=O)c12
O=c1[nH]c2nc([nH]c2c(=O)[nH]1)-c1ccccc1
Cn1c(=O)[nH]c2ncn(CC#C)c2c1=O
CCCCn1cnc2[nH]c(=O)[nH]c(=O)c12
CCCn1c(=O)[nH]c2ncn(C)c2c1=O
O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1ccccc1
Cn1cnc2[nH]c(=O)n(CC#C)c(=O)c12
CC(C)n1c2nc[nH]c2c(=O)[nH]c1=O
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
C=CCn1c(=O)[nH]c2nc[nH]c2c1=O
O=c1[nH]c2nc[nH]c2c(=O)n1CC#C
CC(=O)Cn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
CCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCCC1
CCCn1c2nc[nH]c2c(=O)n(C)c1=O
Cn1c2nc([nH]c2c(=O)n(CC=C)c1=O)-c1ccccc1
O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1
Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1ccccc1
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Cn1c2nc[nH]c2c(=O)n(CC#C)c1=O
CC(C)n1c2nc[nH]c2c(=O)n(C)c1=O
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
CCCn1c(=O)[nH]c2nc[nH]c2c1=O
CCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c2nc(C=Cc3cccc(N)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Cn1c(\C=C\c2cccc(NC(=O)CCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2n(C)c(=O)n(C)c(=O)c12
CCCn1c2nc(\C=C\c3cccc(N)c3)n(C)c2c(=O)n(CCC)c1=O
Cn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Cn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O |w:6.6|
CCCn1c2nc(C=Cc3cc(OC)cc(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CC)c1=O |w:7.7|
CCn1c(\C=C\c2cc(OC)c(OC)c(OC)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
COc1ccccc1\C=C\c1nc2n(C)c(=O)n(C)c(=O)c2n1C
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC(C)=O
COc1cccc2cc(oc12)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1OC
CN(C)c1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 |w:7.6|
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCc1ccccc1
CN(C)c1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
CCCn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
COc1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC |w:6.5|
COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
COc1cccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1OC |w:7.6|
COc1ccccc1C=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 |w:8.8|
CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CCC)c1=O
Cn1c(C=Cc2cccc(NC(=O)OC(C)(C)C)c2)nc2n(C)c(=O)n(C)c(=O)c12 |w:4.4|
Cn1c(\C=C\c2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
CCCn1c2nc(\C=C\c3cc(F)cc(F)c3)n(C)c2c(=O)n(CCC)c1=O
Cn1c(\C=C\c2cccc(c2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12
CCCn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc(\C=C\c3cc(OC)cc(OC)c3)n(C)c2c(=O)n(CCC)c1=O
CC(=O)Nc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
COc1cccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:7.6|
COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC
Cn1c2nc(C=Cc3cccc(c3)[N+]([O-])=O)[nH]c2c(=O)n(C)c1=O |w:6.6|
Cn1c2nc(C=Cc3cccc(c3)C(F)(F)F)[nH]c2c(=O)n(C)c1=O |w:6.6|
CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CCC)c1=O
COc1cc(OC)cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:9.8|
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CN
CCCn1c2nc(C=Cc3cc(OC)c(OC)cc3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc(C=Cc3ccc(OC)c(OC)c3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
CCCn1c2nc(C=Cc3cccc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Cn1c2nc(C=Cc3cccc(F)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CNC(=O)OC(C)(C)C
Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCN
CCCn1c2nc(\C=C\c3cccc(F)c3)n(C)c2c(=O)n(CCC)c1=O
COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCNC(=O)OC(C)(C)C |w:5.4|
Cn1c(\C=C\c2cc(F)cc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CNC(C)=O
COc1cccc2cc(oc12)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
COc1ccc(\C=C\c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)c(OC)c1OC
Cn1c(CCc2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
CCCn1c2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(C)c2c(=O)n(CCC)c1=O
Cn1c2nc(C=Cc3cccc(O)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1O
COc1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 |w:6.5|
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(F)=Cc1ccccc1 |w:15.17|
COc1cc(OC)cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CC#C)cc(OC)c1OC
COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CCc2ccccc2)cc(OC)c1OC
COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c(OC)c1OC
CCCn1c2ncn(CC#N)c2c(=O)n(C)c1=O
CCCn1c2ncn(CC(N)=O)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCOCC)c1=O
CCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
CCCn1c2ncn(CC)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCC(C)=O)c1=O
CCCn1c2ncn(CCC(C)=O)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CC(C)=O)c1=O
CCCn1c2ncn(CCC=C)c2c(=O)n(C)c1=O
CCCn1c2ncn(CC(O)=O)c2c(=O)n(C)c1=O
CCCn1c2ncn(CC=C)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCCOC)c1=O
CCCCn1c2ncn(CC(C)=O)c2c(=O)n(CCCC)c1=O
CCCn1c2ncn(CCN(C)C)c2c(=O)n(C)c1=O
CCCn1c2ncn(CCC(N)=O)c2c(=O)n(C)c1=O
CCCn1c2ncn(CCC#N)c2c(=O)n(C)c1=O
CCCn1c2ncn(CC(C)=O)c2c(=O)n(C)c1=O
CCCn1c2ncn(CCCN(C)C)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CC(N)=O)c1=O
CCCn1c2nc[nH]c2c(=O)n(CC(O)=O)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCC=C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CC)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCC(O)=O)c1=O
CCCn1c2ncn(CCO)c2c(=O)n(C)c1=O
CCCn1c2ncn(CCOC)c2c(=O)n(C)c1=O
CCCn1c2ncn(CCCO)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCCN(C)C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCOC)c1=O
CCCn1c2ncn(CCOCC)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CC#N)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCC#N)c1=O
CCCn1c2nc[nH]c2c(=O)n(CC=C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCN(C)C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCC(N)=O)c1=O
CCCn1c2ncn(CCC(O)=O)c2c(=O)n(C)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCCO)c1=O
CCCn1c2nc[nH]c2c(=O)n(CCO)c1=O
Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(=CC3)c3ccccc3)nc(Cl)nc12 |c:19|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCCC3)nc(Cl)nc12
CC1CCCC(C)N1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)c3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCN(CC3)c3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)S(=O)(=O)c3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3c3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
CCCOc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CSc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(F)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Cl)nc12
CN1CCN(CC1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Oc3ccccc3)nc(Cl)nc12
COC[C@@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)ncnc12
COC[C@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Sc3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(O)C3)nc(Cl)nc12
Nc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Oc3ccccc3)nc(Cl)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)nc(I)nc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Br)nc12
OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)[nH]c(=O)nc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)[nH]c(=O)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(I)nc12 |r|
C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC4CCCCC4C3)[nH]c(=O)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)[nH]c(=O)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)[nH]c(=O)nc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)[nH]c(=O)nc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
CCN(C)C1CCCc2ccncc12
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ncnc12 |r|
C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCCCC3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCCCCCC3)ncnc12 |r|
Cn1c(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc1=O |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ncnc12 |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCCO1
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCC(O)C1O
C[C@H](Cc1ccccc1)Nc1ncnc2n(C[C@@H](O)CO)cnc12
C[C@H](Cc1ccccc1)Nc1ncnc2n(CC(O)C(O)C(O)CO)cnc12
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1OCC(O)C(O)C1O
C[C@H](Cc1ccccc1)Nc1ncnc2n(C[C@H](O)CO)cnc12
C[C@H](Cc1ccccc1)Nc1ncnc2nc[nH]c12
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C(CO)OC(O)CO
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC[C@](O)(CO)[C@H]1O |r|
CSC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12 |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCO1
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CCl)[C@@H](O)[C@H]1O |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O |r|
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12 |r|
COc1ccc(Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cc(OC)c(OC)c(OC)c3)ncnc12 |r|
CNc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CN(C)c1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OC)cc3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](C)Cc3ccccc3)ncnc12 |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC |r|
C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](CC)Cc3ccccc3)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12 |r|
CCCCN(C)C(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12 |r|
COc1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc(OC)c1OC |r|
CC[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r|
NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC=C |r|
O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)N1CCCCC1)n1cnc2c(NN3CCCCC3)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](CC)Cc3ccccc3)ncnc12 |r|
C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CC[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCc1ccccc1 |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 |r|
CCC(CC)NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C)C |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)N(C)C |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC(C)C |r|
O[C@H]1[C@@H](O)C(O[C@@H]1C(O)=O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)N(CC)CC |r|
c1ccc(cc1)CCCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
c1ccc(cc1)CCCCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(c3ccccc3)c3ccccc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCC(c3ccccc3)c3ccccc3)ncnc12 |r|
CC(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCC(c3ccccc3)c3ccccc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCC(c3ccccc3)c3ccccc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)(c3ccccc3)c3ccccc3)ncnc12 |r|
c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
CC(C)(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
CC(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccc1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
CCc1cccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(c3)B(O)O)ncnc12 |r|
CCc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(F)cc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(F)c3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(I)cc3)ncnc12 |r|
Nc1cccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(O)c3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(I)c3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc4ccccc34)ncnc12 |r|
Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCC3c4ccccc4-c4ccccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3c4ccccc4-c4ccccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4Oc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4-c4ccccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4CCc4ccccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3c4ccccc4cc4ccccc34)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
Nc1ccc(CCn2c3[nH]c(nc3c(=O)n(CCc3ccc(N)cc3)c2=O)-c2ccc(OCC(O)=O)cc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c(=O)n(CCc2ccc(N)cc2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c(=O)n(Cc2ccc(N=[N+]=[N-])c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c(=O)n(Cc2ccc(N)cc2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N=[N+]=[N-])c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
CC(Cc1ccccc1)Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)cc(Cl)nc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(Cl)nc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ccnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12 |r|
c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ccnc12 |r|
CC(Cc1ccccc1)Nc1cc(Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1)c1ccccc1C |r|
Cc1cccc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccc(C)c1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3c(Cl)cccc3Cl)ncnc12 |r|
Cc1cccc(C)c1C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3cc(Cl)cc(Cl)c3)ncnc12 |r|
COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C |r|
COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cc(OC)cc(OC)c3)c3ccccc3C)ncnc12 |r|
COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1c(C)cccc1C |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cccc(Cl)c3)c3cccc(Cl)c3)ncnc12 |r|
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cc(OC)cc(OC)c3)c3ccccc3C)ncnc12 |r|
[H][C@]12CCC(C1)[C@]([H])(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
[H][C@@]12CC[C@@]([H])(C1)[C@@]([H])(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
[H][C@]12CC[C@]([H])(C1)C(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21|
[H][C@]12CCC(C1)C(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,THB:8:6:5:3.2|
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
[H][C@]12CCC(C1)[C@]([H])(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,THB:9:6:5:3.2|
[H][C@@]12CC[C@@]([H])(C1)[C@@]([H])(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,THB:10:7:6:3.2|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNC(=S)Nc2ccc(cc2)N=C=S)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNCCSSC(=O)CCC(=O)ON2C(=O)CCC2=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2cccc(c2)N=C=S)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CBr)cc4)cc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)N=C=S)cc4)cc3)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)S([O-])(=O)=O)cc4)cc3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNS(=O)(=O)c2cccc(c2)S(Cl)(=O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)S([O-])(=O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)N=C=S)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc(NC(=S)Nc3ccc(cc3)N=C=S)cc2)cc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5cccc(c5)N=C=S)cc4)cc3)ncnc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(O)=O)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCN)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccoc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)OCC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc([Hg]OC(C)=O)s2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2cccs2)cc1
CCn1c2nc([nH]c2c(=S)n(CC)c1=O)-c1ccccc1
Cn1c2nc([nH]c2c(=S)n(C)c1=O)-c1ccccc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1cccs1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccccc1
CCCn1c2nc([nH]c2c(=S)n(CCC)c1=O)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(C)C)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
Cn1c2nc([nH]c2c(=O)n(C)c1=S)-c1ccco1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccco1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccsc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)N(C)CCN(C)C)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=S)-c1ccccc1
Cn1c2nc([nH]c2c(=O)n(C)c1=S)-c1cccs1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccco1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccco1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCN)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)Cc2ccc(I)s2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)NCc2cccs2)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1
CCCn1c2nc([nH]c2c(=S)n(CCC)c1=S)C1CCCC1
Cn1c2nc([nH]c2c(=S)n(C)c1=O)C1CCCC1
Cn1c2nc([nH]c2c(=S)n(C)c1=S)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCN)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)CCN(C)C)cc1
Cn1c2nc([nH]c2c(=O)n(C)c1=S)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCN(C)C)cc1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H](C)Cc1ccccc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@H](C)Cc1ccccc1
Cn1c2[nH]c(nc2c(=O)n(C)c1=O)C1CCCCC1
CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)OC)cc3)nc12
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(OCC(O)=O)cc3)nc12
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(Cl)cc3)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(F)cc3)nc12
Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCc3ccccc3)nc12
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N(C)CCc1ccccc1
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CC(O)=O)cc3)nc12
CCc1nnc2c(nc3ccccc3n12)N(C)C
Nc1nc2ccccc2n2cnnc12
CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)C(F)(F)F
CC(C)Nc1nc2ccc(F)cc2n2c1n[nH]c2=O
FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccc(Cl)cc3n12
FC(F)(F)c1nnc2c(NC3CCCCC3)nc3ccc(Cl)cc3n12
CCc1nnc2c(N)nc3cc(OC)ccc3n12
CCN(CC)c1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
Fc1ccc2nc(NC3CCCCC3)c3nnc(n3c2c1)C(F)(F)F
Oc1cccc(c1)C1=CSC2=Nc3ccccc3CN12 |t:8,11|
CCc1nnc2c(NC3CCCCC3)nc3ccc(Cl)cc3n12
CCNc1nc2ccc(OC)cc2n2c(CC)nnc12
CCc1nnc2c(NC(C)C)nc3c(Cl)cccc3n12
CCc1nnc2c(N)nc3cc(F)ccc3n12
CCNc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
CCc1nnc2c(NC(C)C)nc3ccc(Cl)cc3n12
CCc1nnc2c(NC(C)C)nc3cc(Cl)c(Cl)cc3n12
CCNc1nc2cc(F)ccc2n2cnnc12
CCNc1nc2ccc(F)cc2n2cnnc12
CC(C)Nc1nc2ccc(Cl)cc2n2cnnc12
CCNc1nc2ccccc2n2cnnc12
CCc1nnc2c(N)nc3cc(Cl)c(Cl)cc3n12
CCc1nnc2c(N)nc3ccccc3n12
Nc1nc2cc(F)ccc2n2cnnc12
COc1ccc2c(c1)nc(N)c1nncn21
CCc1nnc2c(N)nc3ccc(Cl)cc3n12
CCc1nnc2c(N)nc3cc(Cl)ccc3n12
Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccc(Cl)cc1
COc1nnc2c(NC(C)C)nc3ccc(F)cc3n12
Nc1nc2ccc(F)cc2n2c1n[nH]c2=O
Nc1nc2cc(Cl)ccc2n2cnnc12
COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3
CCc1nnc2c(NC3CCCC3)nc3ccc(Cl)cc3n12
Nc1nc2ccc(F)cc2n2cnnc12
CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1
CCc1nnc2c(Nc3ccccc3)nc3ccc(Cl)cc3n12
Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
CCNc1nc2ccccc2n2c(CC)nnc12
CCc1nnc2c(N[C@@H](C)Cc3ccccc3)nc3c(Cl)cccc3n12
CC(C)Nc1nc2cc(F)ccc2n2cnnc12
CC(C)Nc1nc2ccccc2n2c(nnc12)C(F)(F)F
CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
CCc1nnc2c(NC(C)C)nc3ccc(F)cc3n12
CC(C)Nc1nc2ccc(F)cc2n2cnnc12
CCc1nnc2c(NC(C)C)nc3cc(F)c(F)cc3n12
CC(C)Nc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
CCc1nnc2c(NC(C)C)nc3cc(F)ccc3n12
CCc1nnc2c(N[C@@H](C)Cc3ccccc3)nc3ccc(Cl)cc3n12
Nc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)nc(Cl)nc12 |r|
C[C@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
C[C@@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccccc34)ncnc12 |r|
CCOc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc4C3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc(Cl)ccc34)ncnc12 |r|
CCCCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CC(C)COc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCOc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3=CCCCc4ccccc34)ncnc12 |r,t:17|
CCOc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccc(O)cc34)ncnc12 |r|
COc1ccc2C(CCCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
COc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4c(O)cccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccc(OCc5ccccc5)cc34)ncnc12 |r|
CC(C)Oc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCc4ccccc34)ncnc12 |r|
COc1cc2CCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1OC |r|
c1ccc2c(c1)CC[C@H]2Nc3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCc4ccccc34)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3=CCc4ccccc34)ncnc12 |r,t:17|
COc1cc2CC(Cc2cc1OC)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3Cc4ccccc4C3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc5OCOc5cc34)ncnc12 |r|
COc1cc2CCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(OC)c1OC |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCc4ccccc34)ncnc12 |r|
CCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc(ccc34)[N+]([O-])=O)ncnc12 |r|
CCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc(O)ccc34)ncnc12 |r|
COc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccccc4C3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOc4ccccc34)ncnc12 |r|
COc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCCCc4ccccc34)ncnc12 |r|
CCCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCCCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CSc4ccccc4C3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCSc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3COc4ccccc4C3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4c(OCc5ccccc5)cccc34)ncnc12 |r|
CC(C)Oc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCOc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCCc4ccccc34)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3=CCCc4ccccc34)ncnc12 |r,t:17|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCCc4ccccc34)ncnc12 |r|
C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
N(c1ccccc1)c1nc2ccccc2c2nc[nH]c12
C1CCC(C1)Nc1nc2ccccc2c2nc[nH]c12
C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
C[C@@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r|
C[C@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12 |r|
Nc1nc2ccccc2c2nc[nH]c12
CC(C)(C)OC(=O)c1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CN(CCC1CCCCC1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCOC(=O)CCc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Nc1nc(NCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
C[C@H](CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Nc1nc(NCCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
COc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Nc1nc(NCC(c2ccccc2)c2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCc2ccc(CCC3CCCCC3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCc2ccccn2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CCOC(=O)Cc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Nc1nc(NCCC2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCc2ccc(CCc3ccccc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
[H][C@]1(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)CC2CCC1C2 |TLB:2:1:29:27.26|
CCC(CC)CCNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Nc1nc(NCCC23CC4CC(CC(C4)C2)C3)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |TLB:14:9:16:13.15.12,14:13:16:9.8.10,THB:12:11:8:13.15.14,12:13:8:11.16.10|
Nc1nc(NCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCOc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
[H][C@@]12C[C@@]([H])(C=C(CCNc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)C1)C2(C)C |t:5,TLB:7:6:30:2|
CC(C)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Nc1nc(NC[C@H](O)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NC[C@@H](O)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCc2ccc(CCC(O)=O)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
C[C@](O)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Nc1nc(NCCN2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCc2ccc(\C=C\c3ccccc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCc2ccc3CCCCc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NC2Cc3ccccc3C2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Nc1nc(NCCc2cc(Br)cs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CN(CCc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
CCOP(=O)(CCc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1)OCC
Nc1nc(NCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
C[C@@](O)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
CC(C)(C)OC(=O)Cc1cccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
CCn1cnc2c(NC3CCCCC3)ncnc12
CCn1cnc2c(NC3CCCC3)ncnc12
Nc1ncnc2n(cnc12)-c1ccccc1
Cn1cnc2c(NC3CCCCC3)ncnc12
CC[C@@H](Nc1nc(Cl)nc2n(C)cnc12)c1ccccc1
Nc1ncnc2n(CCO)cnc12
OCCn1cnc2c(NC3CCCC3)ncnc12
Cn1cnc2c(NC3CCCC3)ncnc12
Cn1cnc2c(NC3CCCC3)nc(Cl)nc12
C1CCC(C1)Nc1ncnc2n(cnc12)C1CCCC1
C1CCC(C1)Nc1ncnc2n(cnc12)-c1ccccc1
Cn1cnc2c(Nc3ccccc3)nc(Cl)nc12
CC[C@H](Nc1ncnc2n(C)cnc12)c1ccccc1 |r|
Cn1cnc2c(N)nc(Cl)nc12
CC[C@@H](Nc1ncnc2n(C)cnc12)c1ccccc1 |r|
N(c1ccccc1)c1ncnc2n(cnc12)-c1ccccc1
CC[C@H](Nc1ncnc2n(cnc12)-c1ccccc1)c1ccccc1
C1CCC(C1)Nc1ncnc2n(cnc12)C1CCCO1
Cn1cnc2c(Nc3ccccc3)ncnc12
CC[C@@H](Nc1ncnc2n(cnc12)-c1ccccc1)c1ccccc1
CC[C@H](Nc1nc(Cl)nc2n(C)cnc12)c1ccccc1
Cn1cnc2c1ncnc2N
Nc1ncnc2n(cnc12)C1CCCO1
CCn1cnc2c1ncnc2N
c1nc(c2c(n1)n(cn2)C3CCCC3)N
CCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCC1 |r|
CCCCCC(O)C#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCCC1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCCC1CCCCC1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCCC1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCC1CCCCC1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCC1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCCCC1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCC1 |r|
CC(C)(O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CC(O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1
CCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCc1ccccc1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1(O)CCCCCC1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCO |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC(O)c1ccccc1 |r|
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCC1CCCC1 |r|
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCC1 |r|
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
CCCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
CCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCCC)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(C)=O)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC=O)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CCl)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=O)NC)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=S)NC)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2n1 |r|
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2n1 |r|
CCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCC |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C(C)(C)CCC1(C)C
CCCn1c2nc(CC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C1CCCC1
CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C12CC3CC1CC(C2)C3 |THB:19:18:15:21.20.22,19:20:15:18.17|
CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)C12CC3CC1CC(C2)C3 |TLB:22:21:26:23.24,THB:22:23:26:20.21.27|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C=C2 |c:25,TLB:6:17:22.23:20|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCC1C2 |TLB:6:17:23:21.20|
CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C12CC3CC1CC(C2)C3 |THB:21:20:17:23.22.24,21:22:17:20.19|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCCC2C1
CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
CCCn1c2nc(C(C3CC3)C3CC3)n(CC(O)=O)c2c(=O)n(CCC)c1=O
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)C12CC3CC1CC(C2)C3 |TLB:18:17:22:19.20,THB:18:19:22:16.17.23|
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C12CC3CC1CC(C2)C3 |TLB:16:15:20:17.18,THB:16:17:20:14.15.21|
CCCn1c2nc(CC34CC5CC(CC(C5)C3)C4)[nH]c2c(=O)n(CCC)c1=O |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:13:14:9:12.17.11,13:12:9:14.16.15|
CCCn1c2nc(C[C@H]3CC4CCC3C4)[nH]c2c(=O)n(CCC)c1=O |TLB:7:8:14:12.11|
CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)C1CCCC1
CCn1c2nc([nH]c2c(=O)n(CC)c1=O)C1CCCC1
c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl
Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#C |r|
CCCCCCCCCCC#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
C[Si](C)(C)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCCCOCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCC#Cc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCO |r|
CCCCCCC#Cc1nc(N)c2[nH]cnc2n1
COCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCC#Cc1nc2c(N)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCC#Cc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CCCCOCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCOCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CC(=O)c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCOCCC#Cc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCC\C=C/c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CCCCCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
[Na+].OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)S([O-])(=O)=O)ncnc12 |r|
CCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
[Na+].OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccc(cc3)S([O-])(=O)=O)ncnc12 |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCS([O-])(=O)=O)ncnc12 |r|
[Na+].OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCS([O-])(=O)=O)ncnc12 |r|
N.OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccc(cc3)S(O)(=O)=O)ncnc12 |r|
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCN)cc3)nc12 |r|
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCNC(=O)Cc4ccc(N)c(I)c4)cc3)nc12 |r|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1 |wU:17.18,wD:20.22,(11.75,-19.34,;11.75,-17.81,;13.08,-17.03,;13.08,-15.5,;14.43,-14.72,;15.9,-15.18,;16.79,-13.93,;15.87,-12.69,;14.41,-13.17,;13.08,-12.41,;13.08,-10.86,;11.75,-13.19,;10.42,-12.41,;10.42,-10.88,;9.09,-10.1,;11.75,-14.72,;10.42,-15.5,;18.34,-13.93,;19.09,-12.58,;20.62,-12.58,;21.41,-13.91,;22.95,-13.91,;23.72,-15.24,;25.26,-15.24,;26.03,-16.57,;26.03,-13.91,;20.64,-15.26,;19.1,-15.26,)|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(O)CC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(co1)S([O-])(=O)=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnns1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(O)(CC)CC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@H]1CC2CCC1C2 |THB:6:17:23:21.20|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC2CCCC12
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@H]1CC2CC1C=C2 |c:25,TLB:6:17:22.23:20|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc2ccccc2o1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc2ccccc2s1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1(C)CCCCC1
CCCn1c2nc(CC(C)(C)C)[nH]c2c(=O)n(CCC)c1=O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnsn1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nnn[nH]1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(C)CC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc2ccccc2n1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1csc(C)n1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccn1C
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1c2ccccc2-c2ccccc12
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1Cc2ccccc2C1
CCCn1c2nc(CC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)[nH]c2c(=O)n(CCC)c1=O |THB:13:12:9:14.16.15,13:14:9:12.17.11|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(C)CCC
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC2CC1C=C2 |c:25,TLB:6:17:22.23:20|
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(C)C
CCCn1c2nc(CC3CC3)[nH]c2c(=O)n(CCC)c1=O
CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C(C1CC1)C1CC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C12CC3CC1CC(C2)C3 |TLB:20:19:24:21.22,THB:20:21:24:18.19.25|
CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3 |THB:28:27:24:30.29.31,28:29:24:27.26|
CCCn1c(=O)n(CCc2ccc(NC(C)=O)cc2)c2[nH]c(nc2c1=O)C1CCCC1
CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCC(=O)C1
CCCn1c(=O)n(CCc2ccc(NC(=O)C(C)C)cc2)c2nc([nH]c2c1=O)C1CCCC1
CCCn1c2nc(\C=C/c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Cc1ccccc1CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Nc1nc(OCCc2cccs2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Cc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 |r|
Cc1cccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)c1 |r|
Nc1nc(OCCc2cccc3ccccc23)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(Oc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2cccc(Cl)c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
COc1cc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc(OC)c1OC |r|
COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 |r|
Nc1nc(OCCCCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1OC |r|
COc1ccccc1CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Nc1nc(OCCc2ccc(Cl)cc2)nc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2ccccc2F)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2ccc(F)cc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2cccc(F)c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2c[nH]c3ccccc23)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
COc1cccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)c1 |r|
Nc1nc(OCCCc2ccccc2)nc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2ccsc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2ccccc2Cl)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc(OCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Cc1[nH]cnc1CCC(=O)N1CC(C)(C)c2ccccc12
[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)[#7]=[#6]([#7])-[#7])cc1
[#7][#6](-[#7])=[#7][#6](=O)-c1nc(Cl)c(-[#7]-[#6]-[#6]-c2ccc3-[#8]-[#6]-[#8]-c3c2)nc1-[#7]
[#6]-[#8]-c1cccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)[#7]=[#6]([#7])-[#7])c1
[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)[#7]=[#6]([#7])-[#7])cc1
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1O
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnccn1
CCCn1c2[nH]cnc2c(=O)n(CCC)c1=O
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccccc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCc2c[nH]cn2)cc1O
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCc2ccc(O)cc2)cc1O
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(=O)NCC(=O)OC
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1O
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1O
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1O
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(C)C)cc1O
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CCNCC1