Compound Name

SMILES String

NCc1cc(n[nH]1)-c1cccnc1

NCc1cc(no1)-c1cccnc1

Clc1ccc(Cn2ccnc2)cc1

NCc1ccc(s1)-c1cccnc1

Cc1ccsc1-c1cccnc1

NCc1ccc(o1)-c1cccnc1

c1nc(c[nH]1)-c1cccnc1

C(C1CCCCC1)n1ccnc1

C(Cn1ccnc1)c1ccccc1

c1ccc(cc1)[C@@H]2C[C@H]2N

CCCCCCCCCCCC(=O)OCC(CCP(O)(=O)OCCNC(=O)c1ccc(Cn2c3nc(OCCOC)nc(N)c3[nH]c2=O)cc1)OC(=O)CCCCCCCCCCC

CCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)c1ccc(Cn2c3nc(OCCOC)nc(N)c3[nH]c2=O)cc1)OC(=O)CCCCCCCCCCC

N[C@@H]1C[C@H]1c1ccccc1 |r|

Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1

Cc1cc(Nc2nc(nc3ccccc23)[C@@H](O)c2ccc(F)cc2)n[nH]1

Cc1cc(Nc2nc(nc3ccccc23)[C@H](O)c2ccc(F)cc2)n[nH]1

CC(NC(C)(C)CO)C(=O)c1cccc(Cl)c1

CC(C)(C)OC(=O)NCCCOc1c2ccoc2cc2oc(=O)ccc12

FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ccco3)cn2)c(c1)C(F)(F)F

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2ccccn2)cn1 |r|

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2ccco2)cn1 |r|

FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ccccn3)cn2)c(c1)C(F)(F)F

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2noc(c2C)-c2ccccn2)cn1 |r|

CC(c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cnc(s2)-c2ccccn2)cn1

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2cnccn2)cn1 |r|

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(no2)-c2ccccn2)cn1 |r|

FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3cnccn3)cn2)c(c1)C(F)(F)F

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cn(nn2)-c2ccccn2)cn1 |r|

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2ccccn2)cn1 |r|

FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ncccn3)cn2)c(c1)C(F)(F)F

CC(c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2cnccn2)cn1

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2cnccn2)cn1 |r|

Cc1c(NC(=O)c2cc(on2)-c2ccco2)cnn1Cc1ccc(cc1C(F)(F)F)C(F)(F)F

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2ccccn2)c(C)n1 |r|

CC(c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2ccccn2)c(C)n1

CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C#N)c(C)n1C)C(F)(F)F

Cc1c(C(=O)Nc2ccc(F)c(c2)C#N)c(C)n(C)c1C(=O)C(=O)NC1(COC1)C(F)(F)F

Cc1[nH]c(C(=O)C(=O)N[C@@H](C)C(F)(F)F)c(C)c1C(=O)NC2=CC(C#N)C(F)C=C2

Cc2c(C(=O)Nc1ccc(F)c(C#N)c1)c(C)n(C)c2C(=O)C(=O)NC(C)C(F)(F)F

OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)[C@H]3O)c1ccccc1 |r,wD:17.21,TLB:16:15:8.9.10:12,7:8:14.16.15:10.11.12,7:8:12:14.15.17,THB:16:9:12:14.15.17,18:17:8.9.10:12,17:15:8:10.11.12,17:11:8:14.16.15,19:8:14.16.15:10.11.12,19:8:12:14.15.17,(43.24,-21.55,;43.72,-20.08,;43.03,-18.71,;44.4,-18.01,;45.1,-19.38,;44.88,-16.54,;43.63,-15.64,;46.35,-16.07,;47.49,-17.11,;48.99,-16.68,;48.98,-15.1,;50.02,-13.87,;48.67,-14.34,;48.68,-15.83,;50,-16.32,;51.4,-15.97,;50.4,-17.25,;51.42,-14.44,;52.71,-13.59,;47.48,-18.64,;46.13,-19.39,;46.12,-20.93,;47.44,-21.71,;48.79,-20.95,;48.79,-19.41,)|

CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12

CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F

COC(=O)Nc1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncc(F)cc12

C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|

CN(CC=Cc1ccc(cc1)-c1ccccc1)Cc1coc2ccccc12

c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl

CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21|

Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3F)c(N)c2c1C

[O-][n+]1onc2ccc(\C=N\NC(=O)c3ccncc3)cc12

Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1

[H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r|

Cn1cc(cn1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(ccn1)C(F)(F)F)cnn3-c1ccc(F)cc1 |r,t:13|

CCCC[S@@+]([O-])c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nccs1 |r|

C[C@H](c1cccc2c1cccc2)N[C@H]3CCN(C3)c4ccc(cc4)CC(=O)O

CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CC2COC2)c2cnccc12

OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12

Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|

COc1ccncc1C#CCN

NCc1ccc(o1)-c1cnccc1-c1ccccc1

NCc1ccc(s1)-c1cnccc1-c1ccccc1

NCC#Cc1cccnc1

NCC#Cc1cnccc1-c1ccoc1

COc1ccncc1-c1ccc(CN)o1

NCc1ccc(o1)-c1cnccc1-c1ccoc1

CCc1ccncc1-c1ccc(CN)s1

NCc1ccc(s1)-c1cnccc1-c1cccnc1

NCC#Cc1cnccc1-c1cncnc1

CCCc1ccncc1-c1ccc(CN)s1

Cc1ccncc1C#CCN

CCc1ccncc1C#CCN

NCC#Cc1cnccc1-c1ccccc1

NCC#Cc1cnccc1-c1ccncc1

NCC#Cc1cnccc1-c1cccnc1

CCc1ccncc1-c1ccc(CN)o1

CCCc1ccncc1-c1ccc(CN)o1

NCc1ccc(o1)-c1cnccc1-c1ccco1

NCc1ccc(o1)-c1cnccc1-c1ccncc1

NCc1ccc(o1)-c1cnccc1-c1cncnc1

Cc1ccncc1-c1ccc(CN)s1

COc1ccncc1-c1ccc(CN)s1

NCc1ccc(s1)-c1cnccc1-c1ccoc1

NCc1ccc(s1)-c1cnccc1-c1ccncc1

NCc1ccc(s1)-c1cnccc1-c1cncnc1

NCC#Cc1cnccc1-c1ccco1

Cc1ccc(cn1)C#CCN

Cc1ccncc1-c1ccc(CN)o1

NCc1ccc(o1)-c1cnccc1-c1cccnc1

NCc1ccc(s1)-c1cnccc1-c1ccco1

CCCc1ccncc1C#CCN

c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O

CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N

c1cc(ccc1CC(=O)Nc2ccn(n2)Cc3ccc(cn3)C#N)C4(CC4)C(F)(F)F

COc1cc(\C=C\C(=O)c2ccncc2)cc(OC)c1OC

CCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1

C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r|

COCCNc1cc(O)c2c(c1)oc1c(Cc3ccc4OCOc4c3)[nH]c(-c3nccs3)c1c2=O

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 |r|

CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1

CC1CC(C)CC(C1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F

CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(Br)cc2s1

CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(Cl)cc2s1

COc1ccccc1N1C(SCC1=O)c1cccc(c1)C(=O)NCCc1ccc(Br)cc1

CCc1nc(-c2ncc(OC)cn2)n(n1)-c1cccc(c1)C(=O)NCCCCc1ccccc1

COc1ccc(cc1)-c1nc(C)nn1-c1cccc(c1)C(=O)NCCCCc1ccccc1

COc1ccc(cc1)-n1nc(C)nc1-c1cccc(c1)C(=O)NCCCCc1ccccc1

C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O

c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N

CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35|

Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1

C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C

CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC

OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(=O)CC1

c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O

OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(F)(F)CC1

OC(CC1c2ccccc2-c2cncn12)[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:15.17,wD:18.24,(-3.63,-2.93,;-2.86,-1.59,;-3.63,-.26,;-5.17,-.26,;-6.08,.99,;-5.76,2.49,;-6.9,3.52,;-8.37,3.05,;-8.69,1.54,;-7.54,.51,;-7.54,-1.03,;-8.45,-2.28,;-7.54,-3.52,;-6.08,-3.05,;-6.08,-1.51,;-1.32,-1.59,;-.55,-.26,;.99,-.26,;1.76,-1.59,;.99,-2.93,;-.55,-2.93,;3.3,-1.59,;4.07,-.26,;3.3,1.07,;5.61,-.26,;6.38,-1.59,;7.92,-1.59,;8.69,-.26,;7.92,1.07,;6.38,1.07,)|

OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(O)CC1 |(2.62,3.33,;1.85,2,;.31,2,;-.46,.67,;-2,.51,;-2.32,-1,;-3.78,-1.48,;-4.93,-.45,;-4.61,1.06,;-3.14,1.54,;-2.74,3.02,;-.98,-1.77,;-.36,-3.18,;1.18,-3.02,;1.5,-1.51,;.16,-.74,;2.62,.67,;1.85,-.67,;2.62,-2,;4.16,-2,;4.93,-3.33,;4.93,-.67,;4.16,.67,)|

O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@H](O)CC1 |r,wD:3.2,1.0,16.25,19.22,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-.37,;3.63,-.37,;4.4,-1.7,;5.94,-1.7,;3.63,-3.03,;2.09,-3.03,)|

O[C@@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:1.0,19.22,wD:3.2,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|

OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)C1CCCCC1

OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1

OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1

OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1

OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1

CC(=O)N1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12

OC(CC1c2c(cccc2Cl)-c2cncn12)C1CCCCC1

OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccc(F)cc1

OC(CC1c2cc(Cl)ccc2-c2cncn12)C1CCCCC1

OC(CC1c2ccccc2-c2cncn12)C1CCC(F)(F)CC1

OC(CC1c2ccccc2-c2cncn12)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:15.17,18.24,(-2.83,-1.79,;-2.43,-.3,;-3.52,.78,;-5.01,.39,;-6.26,1.29,;-6.42,2.82,;-7.82,3.45,;-9.07,2.54,;-8.91,1.01,;-7.5,.39,;-7.03,-1.08,;-7.5,-2.54,;-6.26,-3.45,;-5.01,-2.54,;-5.49,-1.08,;-.95,.09,;.14,-1,;1.63,-.6,;2.03,.89,;.94,1.98,;-.55,1.58,;3.52,1.29,;4.61,.2,;4.21,-1.29,;6.09,.6,;7.18,-.49,;8.67,-.09,;9.07,1.4,;7.98,2.49,;6.49,2.09,)|

O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:3.2,1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|

OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1cncnc1

O=C(CN1CCOCC1)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1

CC(C)COc1ccc(cn1)-c1cn(C)c2cc(C(=O)NS(C)(=O)=O)c(F)cc12

CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O

Cc1c(O)c(O)cc[n+]1[C@@H](CO)Cc1ccccc1

C[C@H](C(=O)N1CC[C@@H](C1)F)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1

CC[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:2.1,5.8,wD:16.19,2.11,(-.36,-3.62,;-1.75,-2.95,;-3.02,-3.81,;-4.52,-4.18,;-4.94,-5.66,;-3.87,-6.77,;-2.38,-6.4,;-1.95,-4.92,;-4.3,-8.25,;-3.23,-9.36,;-5.79,-8.62,;-3.65,-2.4,;-5.18,-2.24,;-2.75,-1.16,;-1.21,-1.16,;-.73,.31,;-1.98,1.21,;-3.22,.31,;-.44,1.05,;.46,2.3,;1.99,2.14,;2.62,.73,;1.71,-.51,;.18,-.35,;4.15,.57,;4.31,2.1,;3.99,-.96,;3.83,-2.49,;2.46,-.8,;5.52,-1.12,;5.68,.41,;7.21,.25,;6.45,-.92,;5.84,1.94,;-3.01,2.36,;-4.15,1.33,;-4.04,3.5,;-1.86,3.39,;-2.18,4.9,;-1.04,5.93,;.43,5.45,;1.57,6.48,;.75,3.94,;-.4,2.91,)|

OC(=O)C12CCC(CC1)(CC2)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|

Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F |r|

[#6]-[#8]-c1c(-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](/[#6])-[#6] |c:24|

OC(=O)CCCCCNn1nnc2ccccc12

OC(=O)CCCCCCCNn1nnc2ccccc12

COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1

COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N(C)[C@H](C)C1 |r|

COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C

Cc1cc(NC(=O)Nc2cc(nn2-c2ccccc2)C(C)(C)C)ccc1-c1cnc(NC2CC2)c2nccn12

CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1

NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|

CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCc1nnn[nH]1

CNC(=O)C(=O)NCCCC\C=C/CCCCCCCOCC(O)=O

CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCC(O)=O

CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1

O[C@H](CN1CCC[C@H](CC(O)=O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r|

Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O

CC1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O

C[C@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N

CC(C)CCNC1=CC(=O)c2ccccc2C1=O |t:6|

CN1CN(CC1=O)C(=O)CSc1ncnc2oc(c(C)c12)C(F)(F)F

CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1

COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1

c1ccc(c(c1)COc2ccc(cc2)[C@H]3CC[C@H](N3)C(=O)N)F

COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2

Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,8.9,;1.7,8.13,;.37,8.9,;-.97,8.13,;-.97,6.59,;.37,5.82,;1.7,6.59,;3.03,5.82,;3.03,4.28,;1.7,3.51,;4.37,3.51,;5.7,4.28,;7.03,3.51,;7.03,1.97,;8.37,4.28,;8.37,5.82,;7.03,6.59,;5.7,5.82,;4.37,6.59,;4.37,8.13,;.37,10.44,;1.7,11.21,;3.03,10.44,;1.7,12.75,;.37,13.52,;.37,15.06,;1.7,15.83,;-.97,15.83,;-.97,12.75,;-2.43,13.22,;-3.34,11.98,;-4.87,11.82,;-5.49,10.41,;-4.59,9.16,;-3.06,9.32,;-2.43,10.73,;-.97,11.21,;-7.03,10.41,;-6.64,8.92,;-8.37,9.64,;-7.8,11.74,)|

COc1c(oc2c3ccoc3ccc2c1=O)-c1ccc2OCOc2c1

O=c1cc(oc2c3ccoc3ccc12)-c1ccccc1

C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r|

CN(C)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O

CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1

COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)(C)C

OC(=O)C1CN(Cc2ccc3-c4noc(c4CCc3c2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1

CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O

CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1 |r|

c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3

Nc1cc(Cc2ccccc2)c2nn[nH]c2n1

CC[C@@H](c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc12 |r|

Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F

Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r|

Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(nc2n1)C(C)(F)F

Cc1cc(n2c(n1)nc(n2)C(C)(F)F)N[C@H]3CCc4ccc(cc4C3)Br

Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(nc2n1)C(C)(F)F

COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12

NC[C@H](NC(=O)c1ccc([nH]1)-c1ccc(c(F)c1)C(F)(F)F)c1nc(CO)cs1 |r|

NC[C@H](NC(=O)c1ccc([nH]1)-c1cc(F)c(Cl)c(F)c1)c1nc(CO)cs1 |r|

[H][C@]12N(C)c3cccc(OC)c3C(=O)N1CCc1c2[nH]c2cc(OC)ccc12 |r|

Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2F)c1

c1cc(cc(c1)Cl)CN2C=C(C=CC2=O)c3ccc4c(c3)[nH]nc4N

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12

FC(F)(F)Oc1ccc(cc1)-c1ccc2OCCN(Cc3ncccn3)C(=O)c2c1

COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-c1cccnn1)c1ccc(OC)cc1

COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(CO)C1 |r|

[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC

CCC(C)(C)C(O)=O

COc1cc-2c(C[C@@H](C(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCC(O)=O |r|

CCN1c2c3cc([nH]c3ncc2CN(C1=O)c4c(c(cc(c4F)OC)OC)F)CN5CCOCC5

CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1

CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cnn(C)c1

CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1

COc1cc2CC(CC3(F)CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC

CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccnc1

Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)-c1ccc(F)c(c1)C(F)(F)F

NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F

CC(C)N1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:31,t:12,14|

FC(F)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:32,t:13,15|

CC(F)(F)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:33,t:14,16|

COc1cc2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3c2cc1OC |r|

COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F

[#6]-[#8]-c1c(-[#8]-[#6]-c2ccc(F)cc2)cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8]-[#6]\[#6]=[#6]\[#6](-[#8])=O)c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:24|

CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r|

C[C@@H](c1ccccc1)NC2=CC(=O)N(C(=O)N2)C(C)C

CCN(C(=O)C1CC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1C)N1CCN(CC2CC2)CC1

CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|

CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C

[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|

[H][C@@]1(OC[C@@H](CO1)NCc1cc2SCCOc2nn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(68.73,-15.28,;67.41,-14.52,;66.06,-13.77,;66.06,-12.22,;67.4,-11.45,;68.74,-12.22,;68.74,-13.75,;67.4,-9.91,;68.73,-9.14,;70.06,-9.9,;71.38,-9.13,;72.72,-9.89,;74.05,-9.11,;75.39,-9.89,;75.39,-11.43,;74.05,-12.2,;72.72,-11.43,;71.39,-12.21,;70.06,-11.44,;67.41,-16.06,;68.75,-16.82,;66.09,-16.84,;66.09,-18.38,;67.43,-19.14,;68.76,-18.36,;67.43,-20.69,;66.1,-21.46,;64.77,-20.69,;63.43,-21.47,;62.1,-20.7,;62.1,-19.16,;60.77,-18.39,;60.77,-16.85,;63.43,-18.39,;64.77,-19.15,)|

C[C@@H]1CC2C(Nc3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|

C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)-c1ccc(cc1)C(O)=O |r|

C[C@H](C(=O)N1CC2(C1)CC(C2)F)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3

C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1

CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|

CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|

Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F

NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|

CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC

CC(C)C[C@](C)(N)COc1ccc(nc1C(F)F)-c1ccnc(c1)C(F)F |r|

C[C@@H]1CN(C[C@H](N1)C)C(=O)[C@H](C)N2CCC(CC2)N3c4ccccc4NC3=O

Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39|

[H][C@]1(CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O)C(C)=C |r,c:5|

CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1

CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO

CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1 |r|

Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1

COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1F

COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F

C[C@]1(COc2ccc(cc2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)Cn2cc(nc2O1)[N+]([O-])=O |r|

C[C@]1(CN2Cc3nc(sc3C2)-c2ccc(F)cc2)CN=C(N)O1 |r,t:22|

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20|

Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CCN(CC4)C(=O)C)F

[H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r|

COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(cc3)N3CCN(C)CC3)c2n1 |r|

CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9|

COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)N3CCOCC3)cc(OC)cc2o1

COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1

Cn1cc2c3cc(ccc3n(-c3ccc(cc3)C(F)(F)F)c2n1)C(O)=O

Cc1cc(cc(c1NC(=O)OC)C)N(CC#C)Cc2ccc(cc2)F

OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1

CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1

O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1

FC1(CC1)C(=O)NC1CCC(CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |(5.13,9.05,;4.36,7.71,;4.36,6.17,;5.77,7.09,;3.12,8.62,;3.28,10.15,;1.71,7.99,;1.71,6.45,;3.04,5.68,;3.04,4.14,;1.71,3.37,;.37,4.14,;.37,5.68,;1.71,1.83,;3.04,1.06,;3.04,-.48,;1.71,-1.25,;.37,-.48,;-1.09,-.95,;-2,.29,;-3.54,.29,;-4.31,-1.04,;-3.54,-2.38,;-5.85,-1.04,;-6.99,-.01,;-7.25,-1.67,;-1.09,1.54,;.37,1.06,)|

FC1(F)C[C@H]1C(=O)N[C@H]1CC[C@H](CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wU:11.15,8.8,4.5,(7.32,4.03,;5.77,4.03,;6.55,5.36,;5.01,2.69,;4.23,4.03,;2.9,4.8,;2.9,6.34,;1.57,4.03,;1.57,2.49,;2.9,1.72,;2.9,.18,;1.57,-.59,;.23,.18,;.23,1.72,;1.57,-2.13,;2.89,-2.9,;2.89,-4.43,;1.57,-5.2,;.24,-4.44,;-1.23,-4.92,;-2.13,-3.67,;-3.67,-3.67,;-4.44,-5,;-3.67,-6.34,;-5.98,-5,;-7.32,-4.23,;-7.32,-5.77,;-1.23,-2.42,;.24,-2.9,)|

FC1(F)C[C@H]1C(=O)N1CCC2(CCC(CC2)c2cccc3nc(NC(=O)C4CC4)nn23)CC1 |r|

FC1(F)C[C@H]1C(=O)N1CCC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|

O=C(CC#N)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12

FC1(F)C[C@H]1C(=O)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|

C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:30.32,1.1,33.37,(7.66,2.89,;6.89,1.55,;7.66,.22,;7.66,-1.32,;8.99,-.55,;5.35,1.55,;4.44,2.8,;2.98,2.32,;1.65,3.09,;.31,2.32,;.31,.78,;1.65,.01,;1.65,-1.53,;.32,-2.3,;.32,-3.84,;-1.02,-1.53,;2.98,.78,;4.44,.31,;4.84,-1.18,;-1.02,3.09,;-1.02,4.63,;-2.34,5.39,;-3.67,4.63,;-5.14,5.1,;-6.04,3.86,;-7.58,3.86,;-5.14,2.61,;-5.91,1.28,;-7.45,1.28,;-5.14,-.06,;-5.91,-1.39,;-5.14,-2.72,;-5.91,-4.06,;-7.45,-4.06,;-8.22,-5.39,;-8.99,-4.06,;-8.22,-2.72,;-7.45,-1.39,;-3.67,3.09,;-2.34,2.33,)|

COc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C

COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r|

COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)n1 |r|

CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|

FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1

Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)CS(C)(=O)=O)-c1ccc(F)cc1

Fc1ccc(CN2CCn3c2nc(=O)c2CN(Cc4ccccc4)CCc32)cc1Br

Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O |t:10,16|

[H][C@@]12CN(c3cc(OC)c(cc3NC(=O)C#CC)-c3cc4n(CC)c(=O)c(cc4cn3)-c3c(Cl)c(OC)cc(OC)c3Cl)[C@@]([H])(CO1)C2 |r,wU:43.47,1.0,(-10.43,2.76,;-9.34,3.85,;-8,3.08,;-6.67,3.85,;-5.33,3.08,;-3.99,3.85,;-2.66,3.08,;-1.33,3.85,;0,3.08,;-2.66,1.54,;-3.99,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,-1.54,;-9.34,-2.3,;-10.68,-3.06,;-1.33,.77,;0,1.54,;1.33,.77,;2.67,1.54,;2.67,3.08,;4.01,3.85,;4.01,.77,;5.34,1.54,;4.01,-.77,;2.67,-1.54,;1.33,-.77,;0,-1.54,;-1.33,-.77,;5.34,-1.54,;6.67,-.77,;6.67,.77,;8.01,-1.54,;9.34,-.77,;10.68,-1.54,;8.01,-3.08,;6.67,-3.85,;6.67,-5.39,;8.01,-6.16,;5.34,-3.08,;4.01,-3.85,;-6.67,5.39,;-5.33,6.16,;-8,6.16,;-9.34,5.39,;-8.24,4.94,)|

COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(N[C@@H]3COCC[C@@H]3NC(=O)C=C)ncc2c1 |r|

Nc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1

Cc1cc(CN2CCC2)cc(F)c1-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1

COc1cc(cc(OC)c1C)-c1nn2[C@@H](CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C |r|

COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F

Fc1cc(Cc2cc(ccn2)-n2ncc3c2CCNC3=O)cc(c1)C(F)(F)F

NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|

[H][C@@]12CC[C@@]([H])(N1c1ncc3[nH]nc(-c4cnn(c4)C4CCC4)c3n1)C(=O)N(C)C2 |r|

COCCCO[C@H]1CN([C@@H](CC(O)=O)[C@@H]1C)c1ccc(O[C@@H]2CCN(C[C@H]2C)c2cc(OC)ncc2Cl)cc1 |r|

COc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](C)C2)c(Cl)cn1 |r,c:18|

Cc1ccc(NC(=O)Nc2cc(cc3C(CCCOc23)c2ccccc2)-c2ccccc2-c2nc(=O)[nH]o2)cc1

CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1

Cc1ccc(NC(=O)Nc2cc(cc3C(CCCOc23)c2ccccc2)-c2ccccc2-c2nn[nH]n2)cc1

C[C@H]1CC2(CN1c1ccc(C#N)c(Cl)c1)CCN(CC2)c1ccc(cc1)C(=O)N1CCN(CC1)C1CN(C1)c1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1 |r|

[#6]-[#8]-c1c(-[#8]-[#6]-[#6]-2-[#6]-[#6]-2)cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8]-[#6]-c4ccncc4)c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:20|

COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC

COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)NC(=O)c4cc(c(cc4NC(=O)c5cc6ccccc6nc5)OC)OC

COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC

COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC

CC(C)c1cc(\C=C2/CC\C(=C/c3cc(C(C)C)c(O)c(c3)C(C)C)C2=O)cc(C(C)C)c1O

COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O

Cc1cc(\C=C\C(=O)\C=C\c2cc(C)c(O)c(C)c2)cc(C)c1O

COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O

COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|

COc1ccc2cc(ccc2c1)-c1cnccc1N

COc1ccc2cc(ccc2c1)-c1cncc2ccccc12

COc1ccc2cc(ccc2c1)-c1cncc(c1)C(C)=O

COc1ccc2cc(ccc2c1)-c1cncc(OC)c1

COC1CCc2cc(ccc2C1)-c1cccnc1

O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12

Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11|

CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1

O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1

COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1

CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1

FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1

Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1

CN1CCc2c(C1)n(C)c1cc(ccc21)-n1ccc(OCc2ccccc2)cc1=O

Cn1c2CNCCc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O

CN1CCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccccc2)cc1=O

O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3CNCCc3[nH]c2c1

O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1

O[C@H]1CCN(CCn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1 |r|

O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23|

C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O

CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O |r|

Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1ccccc1

Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccnc1

Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(O)c1

Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1

CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O

O=NCc1ccc(o1)-c1cccnc1

O=Cc1ccc(s1)-c1cccnc1

C[n+]1c[nH]cc1-c1cccnc1

Fc1ccc(cn1)-c1ccsc1

Cc1nccn1-c1cccnc1

c1cncc(c1)-c1cccnc1

C(NCc1ccc(s1)-c1cccnc1)c1ccc(s1)-c1cccnc1

Cc1cscc1-c1ccc(F)nc1

CC(=O)c1ccc(s1)-c1cccnc1

c1csc(c1)-c1cccnc1

C(c1ccccc1)n1cnc(c1)-c1cccnc1

Cc1cscc1-c1cccnc1

c1cc(cs1)-c1cccnc1

CCn1cnc(c1)-c1cccnc1

Cc1cn(cn1)-c1cccnc1

CNc1ccc(s1)-c1cccnc1

O=NCc1ccc(s1)-c1cccnc1

Cn1cnc(c1)-c1cccnc1

Oc1cccc(c1)-c1ccc2cc(O)ccc2c1

N[C@H]1C[C@@H]1c1ccccc1 |r|

Cc1cc(Cl)cc(OCCn2cc(F)cn2)c1-c1nc(N)nc2CN(Cc12)C(=O)NCC(C)(F)F |(42.82,-46.29,;44.15,-45.52,;45.48,-46.29,;46.82,-45.52,;48.15,-46.28,;46.81,-43.97,;45.48,-43.21,;45.47,-41.67,;46.8,-40.89,;48.14,-41.66,;49.47,-40.88,;50.87,-41.49,;51.9,-40.35,;53.43,-40.5,;51.12,-39.02,;49.62,-39.34,;44.15,-43.98,;42.82,-43.21,;41.49,-43.98,;40.15,-43.21,;38.82,-43.98,;40.15,-41.67,;41.48,-40.9,;41.8,-39.39,;43.32,-39.23,;43.95,-40.63,;42.82,-41.66,;44.09,-37.89,;43.31,-36.56,;45.63,-37.88,;46.39,-36.55,;47.93,-36.54,;49.47,-36.54,;48.7,-35.2,;48.71,-37.87,)|

CCSc1nc2ccc(OC)cc2[nH]1

CCCSc1nc2ccc(OC)cc2[nH]1

CCCCSc1nc2ccc(OC)cc2[nH]1

CCCCCSc1nc2ccc(OC)cc2[nH]1

CCCCCCSc1nc2ccc(OC)cc2[nH]1

COc1ccc2nc(SCC(C)C)[nH]c2c1

COc1ccc2nc(SCC(C)(C)C)[nH]c2c1

COc1ccc2nc(SCC3CC3)[nH]c2c1

COc1ccc2nc(SCC3CCCCC3)[nH]c2c1

COc1ccc2nc(SCCCO)[nH]c2c1

COc1ccc2nc(SCCCC(O)=O)[nH]c2c1

COc1ccc2nc(SCc3ccccc3)[nH]c2c1

COc1ccc2nc(SCc3ccc(C)cc3)[nH]c2c1

COc1ccc2nc(SCc3ccc(cc3)C(C)C)[nH]c2c1

COc1ccc2nc(SCc3ccc(cc3)C(C)(C)C)[nH]c2c1

COc1ccc2nc(SCc3ccc(Cl)cc3)[nH]c2c1

COc1ccc2nc(SCc3ccc(Br)cc3)[nH]c2c1

COc1ccc2nc(SCc3ccc(I)cc3)[nH]c2c1

COc1ccc2nc(SCc3ccc(cc3)C(O)=O)[nH]c2c1

COc1ccc2nc(SCc3cc(OC)cc(OC)c3)[nH]c2c1

COc1ccc2nc(SCc3cccc(c3)-c3ccccc3)[nH]c2c1

COc1ccc2nc(SCc3ccc4ccccc4c3)[nH]c2c1

COc1ccc2nc(SCc3ccc4ccccc4n3)[nH]c2c1

COc1ccc2nc(SCc3cccc(Oc4ccccc4)c3)[nH]c2c1

COc1ccc2nc(SCc3ccccn3)[nH]c2c1

CCOc1ccc2nc(SCc3ccccn3)[nH]c2c1

C(Sc1nc2ccccc2[nH]1)c1ccccn1

Cc1ccc2nc(SCc3ccccn3)[nH]c2c1

FC(F)Oc1ccc2nc(SCc3ccccn3)[nH]c2c1

Nc1ccc2nc(SCc3ccccn3)[nH]c2c1

CCCCCCCSc1nc2ccc(OC)cc2[nH]1

COc1ccc2nc(SCc3ccc(OCc4ccccc4)cc3)[nH]c2c1

CCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(Cl)cc(c1)-c1nnn[nH]1

CCC(=O)N(Cc1cccc(c1)C(F)(F)F)c1cccc(c1)-c1nnn[nH]1

CCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cccc(c1)-c1nnn[nH]1

CCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1

CCCCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1

CCCCC(=O)N(Cc1cccc(OC(F)(F)F)c1)c1cc(F)cc(c1)-c1nnn[nH]1

CCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1nnn[nH]1

CCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1nnn[nH]1

COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|

Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2c1

Oc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1

Cc1ccc(cc1O)C(=O)c1nc2ccc(O)cc2s1

Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1

COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl

Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O

S=P(N1CC1)(N1CC1)N1CC1

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12

c1ccc(cc1)C2(CCCCC2)N3CCCCC3

CC(C)(N1CCCCC1)c1ccccc1

CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3

COc1ccc(cc1OCC#C)C(=O)Nc1c(Cl)cncc1Cl

O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1

c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2

c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O

Oc1cc(oc2cccc(=O)c12)-c1ccc2OCC=Cc2c1 |c:20|

Oc1cc(oc2cccc(=O)c12)-c1ccc(OCC#C)cc1

Oc1cc(oc2cccc(=O)c12)-c1ccc2C=CCOc2c1 |c:18|

Oc1cc(oc2cccc(=O)c12)-c1cccc2OCC=Cc12 |c:21|

Oc1cc(oc2cccc(=O)c12)-c1cccc(OCC#C)c1

Oc1c2C=CCOc2cc2oc(cc(=O)c12)-c1ccccc1 |c:3|

Oc1cc2OCC=Cc2c2oc(cc(=O)c12)-c1ccccc1 |c:6|

Oc1cc(OCC#C)cc2oc(cc(=O)c12)-c1ccccc1

O=c1cc(oc2ccccc12)-c1ccc2OCC=Cc2c1 |c:19|

O=c1cc(oc2ccccc12)-c1cccc2OCC=Cc12 |c:20|

O=c1cc(oc2ccccc12)-c1cccc2C=CCOc12 |c:18|

O=c1cc(oc2c3C=CCOc3ccc12)-c1ccccc1 |c:7|

O=c1cc(oc2ccc3OCC=Cc3c12)-c1ccccc1 |c:11|

O=c1cc(oc2ccc3C=CCOc3c12)-c1ccccc1 |c:9|

C[C@@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|

C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|

C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|

C[C@@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|

OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1 |(55.73,-27.91,;54.2,-27.92,;53.41,-26.59,;53.44,-29.26,;51.9,-29.27,;51.14,-30.61,;49.6,-30.63,;48.82,-29.3,;49.57,-27.96,;51.11,-27.95,;47.28,-29.32,;46.53,-30.67,;44.99,-30.68,;44.2,-29.35,;44.95,-28.02,;46.49,-27.99,;42.67,-29.37,;41.78,-30.63,;40.31,-30.17,;38.97,-30.95,;37.64,-30.19,;37.64,-28.65,;36.3,-27.89,;34.97,-28.66,;34.98,-30.2,;33.63,-27.9,;32.24,-28.53,;31.2,-27.4,;31.96,-26.06,;33.47,-26.37,;34.61,-25.34,;36.08,-25.81,;34.29,-23.83,;35.93,-24.55,;29.67,-27.56,;28.76,-26.32,;27.23,-26.49,;26.61,-27.9,;27.53,-29.15,;29.06,-28.97,;38.96,-27.87,;40.29,-28.63,;41.76,-28.14,)|

CC(C)(C)n1nnnc1C(N1CCCC1)c1cccc(Nc2ccnc3cc(Cl)ccc23)c1

CCN(CC)C(c1nnnn1C(C)(C)C)c1cccc(Nc2ccnc3cc(Cl)ccc23)c1

CCc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|

OC(=O)c1ccc(Sc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3ccccc3)cn2)cc1 |r|

Cc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|

Cc1nc(Oc2ccc(cc2)C(N)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|

Cc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1cccc(Cl)c1 |r|

CC(C)(C)n1nnnc1C(NCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1

Cc1ccc(cc1)C(NCCNc1ccnc2cc(Cl)ccc12)c1nnnn1C(C)(C)C

CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O |(57.2,-40.02,;55.86,-39.25,;55.86,-37.71,;54.53,-40.02,;54.52,-41.56,;53.19,-42.33,;53.19,-43.87,;54.43,-44.77,;55.89,-44.3,;53.95,-46.24,;54.86,-47.48,;56.39,-47.32,;57.02,-45.92,;57.29,-48.57,;52.41,-46.24,;51.39,-47.37,;49.89,-47.06,;49.41,-45.59,;47.9,-45.27,;50.44,-44.45,;51.94,-44.77,;51.86,-41.56,;50.54,-42.33,;49.21,-41.57,;49.2,-40.03,;50.53,-39.26,;51.86,-40.03,;53.19,-39.25,;53.19,-37.71,)|

O=C1N(CCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(3.92,-9.95,;5.4,-10.4,;6.45,-9.26,;7.99,-9.38,;8.86,-10.65,;8.41,-12.12,;9.35,-13.46,;8.44,-14.72,;6.97,-14.24,;5.64,-15.01,;4.3,-14.24,;4.31,-12.7,;5.63,-11.93,;6.97,-12.69,;5.89,-7.83,;4.36,-7.6,;3.8,-6.16,;4.76,-4.96,;6.28,-5.2,;6.84,-6.62,;5.89,-5.59,;5.13,-6.93,)|

O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(5.44,-9.73,;6.92,-10.18,;7.97,-9.03,;9.51,-9.15,;10.38,-10.42,;9.94,-11.9,;10.88,-13.24,;9.97,-14.5,;8.49,-14.02,;7.16,-14.79,;5.83,-14.02,;5.83,-12.48,;7.16,-11.71,;8.5,-12.47,;7.41,-7.6,;5.88,-7.38,;5.32,-5.94,;6.28,-4.73,;7.8,-4.97,;8.36,-6.4,;7.41,-5.36,;6.65,-6.7,)|

Fc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(13.49,-14.18,;14.83,-13.41,;14.83,-11.87,;16.16,-11.1,;15.92,-9.57,;14.45,-9.12,;16.97,-8.43,;18.51,-8.55,;19.38,-9.82,;18.94,-11.29,;19.88,-12.64,;18.97,-13.89,;17.49,-13.41,;16.16,-14.18,;17.5,-11.87,;16.41,-6.99,;14.88,-6.77,;14.32,-5.33,;15.28,-4.13,;16.81,-4.36,;17.36,-5.79,;16.41,-4.76,;15.65,-6.09,)|

Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(22.97,-13.82,;24.31,-13.05,;24.31,-11.51,;25.64,-10.74,;25.4,-9.21,;23.93,-8.77,;26.45,-8.07,;27.99,-8.19,;28.86,-9.46,;28.42,-10.93,;29.36,-12.28,;28.45,-13.53,;26.97,-13.05,;25.64,-13.82,;26.98,-11.51,;25.89,-6.64,;24.36,-6.41,;23.8,-4.97,;24.76,-3.77,;26.29,-4,;26.84,-5.43,;25.89,-4.4,;25.13,-5.74,)|

COc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:16.18,(1.85,-13.55,;3.19,-14.32,;4.52,-13.55,;4.52,-12.01,;5.85,-11.24,;5.61,-9.71,;4.14,-9.26,;6.67,-8.57,;8.2,-8.69,;9.08,-9.96,;8.63,-11.43,;9.57,-12.78,;8.66,-14.03,;7.19,-13.55,;5.85,-14.32,;7.19,-12.01,;6.1,-7.13,;4.57,-6.91,;4.01,-5.47,;4.98,-4.27,;6.5,-4.5,;7.06,-5.93,;6.1,-4.9,;5.34,-6.23,)|

O=C1N(CCn2c3c1cccc3[nH]c2=O)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(7.11,-8.33,;8.59,-8.78,;9.64,-7.63,;11.18,-7.75,;12.05,-9.02,;11.61,-10.5,;10.17,-11.07,;8.83,-10.31,;7.5,-11.08,;7.5,-12.62,;8.83,-13.39,;10.16,-12.62,;11.64,-13.1,;12.55,-11.84,;14.09,-11.86,;9.08,-6.2,;7.55,-5.98,;6.99,-4.54,;7.95,-3.33,;9.47,-3.57,;10.03,-5,;9.08,-3.96,;8.32,-5.3,)|

Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r|

CCN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|

Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12

Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2

COC(=O)c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1

CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4

Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F

Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1

[H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|

[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(OC(=O)[C@@H]2C)O4 |r|

[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(OC(O)[C@@H]2C)O4 |r|

CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1

CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1 |r|

CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1

Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 |r|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(O)(CC(O)(C3)C1)C2 |r,TLB:21:14:23:18.22.19,21:19:14.15.13:23,20:19:14.15.13:23,17:16:14.13.21:22,15:16:14.13.21:22,THB:15:14:22:18.23.16|

C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(cc1)C(O)=O |r|

c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F

[H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCCCC2)cc3)C(O)=O)cc1)NS(=O)(=O)C1CC1 |r|

[O-][N+](=O)c1ncn(CC(=O)Nc2cccc(c2)-c2ccccc2)n1

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

C[C@@H]1CN(CCN1C(=O)Oc2cc3c(cc2OC)ncnc3Nc4cccc(c4F)Cl)C

COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O

Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1

[H][C@@](O)(c1ccccc1)[C@@]1([H])CC[C@@]([H])(Cc2ccc(NC(=O)[C@]3([H])CCc4nccc(=O)n34)cc2)N1 |r|

OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1

Cc1ccc(nc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)N1CCC(O)CC1

OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1

COc1cccc(c1)-c1nc2ccccc2c(=S)[nH]1

COc1cccc(c1)-c1nc(OC)c2ccccc2n1

COc1cccc(c1)-c1nc(SC)c2ccccc2n1

COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F

C[C@@H](C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N

[H][C@@]1(CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc(c3C)-n3c(=O)n(C)c4c(F)cccc4c3=O)c21)C(O)=N)C(C)(C)O |r,wU:1.0,(7.64,3.3,;7.24,1.81,;5.84,2.47,;4.58,1.59,;4.71,.05,;6.1,-.6,;7.37,.28,;4.84,-1.48,;3.3,-1.34,;2.9,-2.83,;1.41,-3.22,;.33,-2.13,;-1.16,-2.53,;.73,-.64,;-.36,.45,;.05,1.93,;-1.04,3.03,;-2.53,2.63,;-2.93,1.15,;-1.85,.05,;-2.25,-1.43,;-4.42,.75,;-4.82,-.73,;-3.74,-1.83,;-6.31,-1.13,;-6.71,-2.62,;-7.4,-.04,;-8.89,-.43,;-9.29,-1.92,;-9.97,.66,;-9.57,2.15,;-8.08,2.54,;-6.99,1.45,;-5.51,1.84,;-5.1,3.33,;2.22,-.25,;3.99,-3.92,;5.48,-3.53,;3.58,-5.41,;8.77,1.67,;8.91,3.21,;8.63,.14,;10.3,1.53,)|

C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)|

CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O

COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2cccc(C)c2)c1

COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2Cl)c1

COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2C)c1

C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2 |r,wD:16.18,t:1,TLB:0:16:19.20:23.22,THB:15:16:19.20:23.22,(31.2,-13.57,;31.65,-12.09,;30.38,-11.22,;30.34,-9.66,;31.67,-8.85,;31.64,-7.31,;32.95,-6.51,;34.32,-7.25,;34.35,-8.8,;33.03,-9.6,;32.91,-4.97,;31.64,-4.11,;32.08,-2.63,;33.62,-2.59,;34.13,-4.04,;29.15,-12.15,;29.66,-13.6,;30.52,-14.71,;28.75,-15.67,;28.49,-16.79,;27.69,-15.62,;28.18,-14.23,;26.95,-13.14,;27.24,-14.35,)|

Cc1[nH]c(C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1NC(=O)[C@H]1CCCN1

COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br

CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|

CCCCCCCC(=O)CCc1ccc(O)c(OC)c1

CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|

CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|

CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1

O=c1c2c([nH]c(Cc3ccc4OCOc4c3)c2oc2ccccc12)-c1nccs1