1067 SMILES Strings for Casein kinase II subunit alpha

Compound Name
SMILES String
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
c1cc2c(c(c1)O)C(=O)c3c(ccc(c3C2=O)[N+](=O)[O-])O
c1cc(c2c(c1)Oc3c(ccc(c3C2=O)O)[N+](=O)[O-])O
c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N
c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O
Oc1cccc2oc3cccc(O)c3c(=O)c12
Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O
OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(OC(F)(F)C(F)F)c2)n1
NCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
Clc1cccc(Nc2nccc(n2)-c2ccnc(NCCc3cnc[nH]3)c2)c1
Brc1c(Br)c(Br)c2[nH]nnc2c1Br
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cc(Cl)c(Cl)cc12 |r|
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
c1[nH]c2c(n1)c(c(c(c2I)I)I)I
Clc1c(I)c(I)c2nc[nH]c2c1I
Brc1c(I)c(I)c2[nH]cnc2c1I
Clc1c(Cl)c(I)c2[nH]cnc2c1I
Clc1c(I)c(Cl)c2nc[nH]c2c1I
Brc1c(I)c(Br)c2nc[nH]c2c1I
Cc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Cc1nc2c(I)c(Cl)c(Cl)c(I)c2[nH]1
CCc1nc2c(I)c(I)c(I)c(I)c2[nH]1
FC(F)(F)c1nc2c(I)c(I)c(I)c(I)c2[nH]1
FC(F)(F)C(F)(F)c1nc2c(I)c(I)c(I)c(I)c2[nH]1
Clc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Brc1nc2c(I)c(I)c(I)c(I)c2[nH]1
OCCNc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Ic1c(I)c(I)c2[nH]c(=S)[nH]c2c1I
OC(=O)CSc1nc2c(I)c(I)c(I)c(I)c2[nH]1
Ic1c(I)c(I)c2[nH]c(=O)[nH]c2c1I
OC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
NC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
CNC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
NNC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br
NC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
CNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
NNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
O=S(=O)(NCCNC\C=C\c1ccccc1)c1cccc2cnccc12
c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br
c1cc2cnccc2c(c1)S(=O)(=O)NCCN
NCCNS(=O)(=O)c1cccc2ccncc12
c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl
[O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
[O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21
[O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
CC1CN(CC(C)O1)c1nc2ccccn2c(=O)c1N
Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)|
Nc1ncnn2c(cc(C(=O)N[C@H]3CC[C@H](O)CC3)c12)-c1ccnc(F)c1 |r,wU:12.11,wD:15.15,(-3.89,4.03,;-3.89,2.49,;-5.23,1.72,;-5.23,.18,;-3.89,-.59,;-2.56,.18,;-1.09,-.29,;-.19,.95,;-1.09,2.2,;-.62,3.67,;-1.71,4.75,;.87,4.06,;1.96,2.97,;3.45,3.37,;4.54,2.28,;4.14,.8,;5.23,-.29,;2.65,.4,;1.56,1.49,;-2.56,1.72,;-.69,-1.78,;-1.78,-2.87,;-1.39,-4.36,;.1,-4.75,;1.19,-3.67,;2.68,-4.06,;.79,-2.18,)|
CCOC(=O)NC1CCC(CC1)NC(=O)c1cc(-c2ccnc(OC)c2)n2ncnc(N)c12 |(3.3,-4.34,;4.79,-3.95,;5.19,-2.46,;4.1,-1.37,;2.61,-1.77,;4.5,.12,;3.41,1.21,;1.92,.81,;.83,1.9,;1.23,3.38,;2.72,3.78,;3.81,2.69,;.14,4.47,;-1.35,4.08,;-2.44,5.16,;-1.75,2.59,;-.84,1.34,;-1.75,.1,;-1.35,-1.39,;-2.44,-2.48,;-2.04,-3.97,;-.55,-4.37,;.54,-3.28,;2.03,-3.68,;2.43,-5.16,;.14,-1.79,;-3.21,.57,;-4.54,-.2,;-5.88,.57,;-5.88,2.11,;-4.54,2.88,;-4.54,4.42,;-3.21,2.11,)|
CNCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
CC(C)(C)OC(=O)NCCCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
CC(=O)NC1CCC(CC1)NC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12 |(.96,8.48,;-.55,8.8,;-1.02,10.26,;-1.58,7.65,;-1.1,6.19,;-2.13,5.05,;-1.66,3.58,;-.15,3.26,;.88,4.41,;.41,5.87,;.33,1.8,;1.83,1.48,;2.86,2.62,;2.31,.01,;1.4,-1.23,;2.31,-2.48,;1.83,-3.95,;.33,-4.27,;-.15,-5.73,;.88,-6.87,;2.39,-6.55,;2.86,-5.09,;3.77,-2,;5.11,-2.77,;6.44,-2,;6.44,-.46,;5.11,.31,;5.11,1.85,;3.77,-.46,)|
CCOC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12 |wU:6.5,wD:9.12,(4.88,11.7,;5.35,10.24,;4.32,9.09,;4.8,7.63,;6.31,7.31,;3.77,6.48,;4.24,5.02,;5.75,4.7,;6.23,3.23,;5.2,2.09,;3.69,2.41,;3.21,3.87,;5.67,.62,;4.64,-.52,;3.14,-.2,;5.12,-1.99,;4.21,-3.23,;5.12,-4.48,;4.64,-5.94,;3.14,-6.26,;2.66,-7.73,;3.69,-8.87,;5.2,-8.55,;5.67,-7.09,;6.58,-4,;7.92,-4.77,;9.25,-4,;9.25,-2.46,;7.92,-1.69,;7.92,-.15,;6.58,-2.46,)|
Nc1ncnn2c(cc(C(=O)N[C@@H]3CC[C@H](O)CC3)c12)-c1ccncc1 |wU:15.15,12.11,(3.54,.34,;3.54,-1.2,;4.88,-1.97,;4.88,-3.51,;3.54,-4.28,;2.21,-3.51,;.75,-3.98,;-.16,-2.74,;.75,-1.49,;.27,-.03,;1.3,1.12,;-1.24,.29,;-1.71,1.76,;-.68,2.9,;-1.16,4.37,;-2.66,4.69,;-3.14,6.15,;-3.69,3.54,;-3.22,2.08,;2.21,-1.97,;.27,-5.45,;-1.24,-5.77,;-1.71,-7.23,;-.68,-8.38,;.82,-8.06,;1.3,-6.59,)|
Nc1ncnn2c(cc(C(=O)NCCc3ccccn3)c12)-c1ccncc1
Nc1ncnn2c(cc(C(=O)NC3CCOCC3)c12)-c1ccncc1
COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)CC(C)(C)O)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-1.05,-10.45,;-.58,-8.99,;.93,-8.67,;1.41,-7.2,;2.91,-6.88,;3.94,-8.03,;3.47,-9.49,;1.96,-9.81,;3.39,-5.42,;2.48,-4.17,;3.39,-2.93,;2.91,-1.46,;3.94,-.32,;1.41,-1.14,;.93,.32,;-.58,.64,;-1.05,2.11,;-.02,3.25,;1.49,2.93,;1.96,1.47,;-.5,4.72,;-2,5.04,;-3.03,3.89,;-2.48,6.5,;-3.99,6.82,;-5.49,7.14,;-3.67,8.33,;-4.31,5.32,;4.85,-3.4,;6.19,-2.63,;6.19,-1.09,;7.52,-3.4,;7.52,-4.94,;6.19,-5.71,;4.85,-4.94,)|
COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)C2(CN)CC2)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-.99,-10.44,;-.51,-8.98,;.99,-8.66,;1.47,-7.19,;2.97,-6.87,;4.01,-8.02,;3.53,-9.48,;2.02,-9.8,;3.45,-5.41,;2.55,-4.16,;3.45,-2.92,;2.97,-1.45,;4.01,-.31,;1.47,-1.13,;.99,.33,;-.51,.65,;-.99,2.12,;.04,3.26,;1.55,2.94,;2.02,1.48,;-.43,4.73,;-1.94,5.05,;-2.97,3.9,;-2.42,6.51,;-3.63,5.56,;-5.06,6.14,;-2.76,8.01,;-1.29,7.56,;4.92,-3.39,;6.25,-2.62,;6.25,-1.08,;7.58,-3.39,;7.58,-4.93,;6.25,-5.7,;4.92,-4.93,)|
COc1cc(ccn1)-c1cc(C(=O)N[C@@H]2CCCN(C2)C(=O)C2(N)CC2)c2c(N)ncnn12
COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)C(C)(C)O)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-2.11,-10.43,;-1.63,-8.96,;-.13,-8.64,;.35,-7.18,;1.86,-6.86,;2.89,-8,;2.41,-9.47,;.9,-9.79,;2.33,-5.39,;1.43,-4.15,;2.33,-2.9,;1.86,-1.44,;2.89,-.29,;.35,-1.12,;-.13,.35,;-1.63,.67,;-2.11,2.13,;-1.08,3.28,;.43,2.96,;.9,1.49,;-1.55,4.74,;-.52,5.89,;.98,5.57,;-1,7.35,;-1.48,8.82,;.46,7.83,;-2.46,6.88,;3.8,-3.38,;5.13,-2.61,;5.13,-1.07,;6.46,-3.38,;6.46,-4.92,;5.13,-5.69,;3.8,-4.92,)|
COc1cc(ccn1)-c1cc(C(=O)N[C@@H]2CC[C@H](CO)CC2)c2c(N)ncnn12 |wU:17.18,14.14,(-3.38,-9.14,;-2.9,-7.68,;-1.39,-7.36,;-.92,-5.89,;.59,-5.57,;1.62,-6.72,;1.14,-8.18,;-.36,-8.5,;1.06,-4.11,;.16,-2.86,;1.06,-1.62,;.59,-.15,;1.62,.99,;-.92,.17,;-1.39,1.63,;-.36,2.78,;-.84,4.24,;-2.35,4.56,;-2.82,6.03,;-4.33,6.35,;-3.38,3.42,;-2.9,1.95,;2.53,-2.09,;3.86,-1.32,;3.86,.22,;5.2,-2.09,;5.2,-3.63,;3.86,-4.4,;2.53,-3.63,)|
COc1cc(ccn1)-c1cc(C(=O)NC[C@H]2CC[C@H](O)CC2)c2c(N)ncnn12 |wU:15.15,wD:18.19,(-5.12,-9.38,;-4.65,-7.92,;-3.14,-7.6,;-2.66,-6.13,;-1.16,-5.81,;-.13,-6.96,;-.6,-8.42,;-2.11,-8.74,;-.68,-4.35,;-1.59,-3.1,;-.68,-1.86,;-1.16,-.39,;-2.66,-.07,;-.13,.75,;-.6,2.22,;.43,3.36,;-.05,4.83,;.98,5.97,;2.49,5.65,;3.52,6.79,;2.96,4.18,;1.93,3.04,;.78,-2.33,;2.12,-1.56,;2.12,-.02,;3.45,-2.33,;3.45,-3.87,;2.12,-4.64,;.78,-3.87,)|
COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-3.74,-9.57,;-3.26,-8.1,;-1.75,-7.78,;-1.28,-6.32,;.23,-6,;1.26,-7.14,;.78,-8.61,;-.72,-8.93,;.71,-4.53,;-.2,-3.29,;.71,-2.04,;.23,-.58,;-1.28,-.26,;1.26,.57,;.78,2.03,;-.72,2.35,;-1.2,3.82,;-.17,4.96,;1.34,4.64,;1.81,3.18,;-.64,6.42,;-2.15,6.74,;.39,7.57,;2.17,-2.52,;3.5,-1.75,;3.5,-.21,;4.84,-2.52,;4.84,-4.06,;3.5,-4.83,;2.17,-4.06,)|
COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CCOC2)c2c(N)ncnn12
CCN1CCCC1CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(-c2ccnc(OC)c2)n2ncnc(N)c12 |wU:14.18,wD:11.11,(-3.31,10.1,;-2.54,8.77,;-3.31,7.43,;-4.84,7.27,;-5.16,5.76,;-3.83,4.99,;-2.68,6.02,;-1.18,5.7,;-.7,4.24,;.81,3.92,;1.84,5.06,;1.28,2.46,;.25,1.31,;.73,-.15,;2.23,-.47,;3.26,.67,;2.79,2.13,;2.71,-1.94,;4.22,-2.26,;5.25,-1.11,;4.69,-3.72,;3.79,-4.97,;4.69,-6.22,;4.22,-7.68,;5.25,-8.82,;4.77,-10.29,;3.26,-10.61,;2.23,-9.46,;.73,-9.78,;.25,-11.25,;2.71,-8,;6.16,-5.74,;7.49,-6.51,;8.82,-5.74,;8.82,-4.2,;7.49,-3.43,;7.49,-1.89,;6.16,-4.2,)|
COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)C(C)(C)CN2CCCC2)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-.94,-11.83,;-.47,-10.36,;1.04,-10.04,;1.52,-8.58,;3.02,-8.26,;4.05,-9.4,;3.58,-10.87,;2.07,-11.19,;3.5,-6.79,;2.59,-5.55,;3.5,-4.3,;3.02,-2.84,;4.05,-1.69,;1.52,-2.52,;1.04,-1.05,;-.47,-.73,;-.94,.73,;.09,1.88,;1.59,1.56,;2.07,.09,;-.39,3.34,;.64,4.49,;2.15,4.16,;.17,5.95,;1.63,6.43,;-1.3,5.47,;-.31,7.41,;.72,8.56,;.4,10.07,;1.73,10.84,;2.88,9.8,;2.25,8.4,;4.96,-4.78,;6.3,-4.01,;6.3,-2.47,;7.63,-4.78,;7.63,-6.32,;6.3,-7.09,;4.96,-6.32,)|
COc1cc(ccn1)-c1cc(C(=O)N[C@H]2CC[C@@H](CC2)OCC(C)(C)C)c2c(N)ncnn12 |wU:14.14,wD:17.21,(-2.29,-10.26,;-1.81,-8.79,;-.31,-8.47,;.17,-7.01,;1.67,-6.69,;2.71,-7.83,;2.23,-9.3,;.72,-9.62,;2.15,-5.22,;1.25,-3.98,;2.15,-2.73,;1.67,-1.27,;2.71,-.12,;.17,-.95,;-.31,.52,;-1.81,.84,;-2.29,2.3,;-1.26,3.45,;.25,3.13,;.72,1.66,;-1.73,4.91,;-.7,6.06,;-1.18,7.52,;-1.66,8.98,;.28,8,;-2.64,7.04,;3.62,-3.21,;4.95,-2.44,;4.95,-.9,;6.28,-3.21,;6.28,-4.75,;4.95,-5.52,;3.62,-4.75,)|
CC1CCN(CC1)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
CC(C)(C)C(OC(N)=O)C1CCN(C1)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
COc1cc(ccn1)-c1cc(C(=O)N2CCC(O)CC2)c2c(N)ncnn12
NCC1CCCN(C1)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
CC(C)(C)N(CC1CCN(CC1)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12)C([O-])=O
CN(CCCN)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
COc1cc(ccc1C(N)=O)-c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c2c(N)ncnn12 |wU:17.17,wD:20.21,(1.37,-7.38,;1.84,-5.92,;.81,-4.77,;1.29,-3.31,;.26,-2.16,;-1.25,-2.48,;-1.73,-3.95,;-.69,-5.09,;-1.17,-6.56,;-2.68,-6.88,;-.14,-7.7,;.73,-.7,;-.17,.55,;.73,1.79,;.26,3.26,;-1.25,3.58,;1.29,4.4,;.81,5.87,;-.69,6.19,;-1.17,7.65,;-.14,8.8,;-.62,10.26,;1.37,8.48,;1.84,7.01,;2.2,1.32,;3.53,2.09,;3.53,3.63,;4.86,1.32,;4.86,-.22,;3.53,-.99,;2.2,-.22,)|
NC(=O)c1cccc(c1)-c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c2c(N)ncnn12 |wU:15.15,wD:18.19,(1.21,-8.13,;1.68,-6.67,;3.19,-6.34,;.65,-5.52,;-.86,-5.84,;-1.89,-4.7,;-1.41,-3.23,;.1,-2.91,;1.13,-4.06,;.57,-1.45,;-.33,-.2,;.57,1.04,;.1,2.51,;-1.41,2.83,;1.13,3.65,;.65,5.12,;-.86,5.44,;-1.33,6.9,;-.3,8.05,;-.78,9.51,;1.21,7.73,;1.68,6.26,;2.04,.57,;3.37,1.34,;3.37,2.88,;4.7,.57,;4.7,-.97,;3.37,-1.74,;2.04,-.97,)|
CC(C)Oc1cc(ccn1)-c1cc(C(=O)NC2CCC(N)CC2)c2c(N)ncnn12 |(-3.33,-5.79,;-1.82,-5.47,;-.79,-6.61,;-1.35,-4,;.16,-3.68,;.63,-2.22,;2.14,-1.9,;3.17,-3.04,;2.7,-4.51,;1.19,-4.83,;2.62,-.43,;1.71,.81,;2.62,2.06,;2.14,3.52,;3.17,4.67,;.63,3.84,;.16,5.31,;-1.35,5.63,;-1.82,7.09,;-.79,8.24,;-1.27,9.7,;.71,7.92,;1.19,6.45,;4.08,1.58,;5.42,2.35,;5.42,3.89,;6.75,1.58,;6.75,.04,;5.42,-.73,;4.08,.04,)|
NC1CCC(CC1)NC(=O)c1cc(-c2ccnc(CCO)c2)n2ncnc(N)c12 |(-1.43,9.34,;-.96,7.88,;-1.99,6.73,;-1.51,5.27,;-.01,4.95,;1.02,6.09,;.55,7.56,;.47,3.48,;1.98,3.16,;3.01,4.31,;2.45,1.7,;1.55,.45,;2.45,-.79,;1.98,-2.26,;3.01,-3.4,;2.53,-4.87,;1.02,-5.19,;-.01,-4.04,;-1.51,-4.36,;-1.99,-5.83,;-3.49,-6.15,;.47,-2.58,;3.92,-.32,;5.25,-1.09,;6.58,-.32,;6.58,1.22,;5.25,1.99,;5.25,3.53,;3.92,1.22,)|
Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc12
OC1CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
CN1CC2(C1)CN(C2)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Clc1c(NN2CCOCC2)cc(cc1Nc1nc(NC2CC2)c2ncc(C#N)n2n1)C#N
Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCN(CC1)C1CCOC1)C#N
C[C@@H](O)CN1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
COC(=O)N1CCC(CC1)N1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
CS(=O)(=O)CCN1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
FC1(F)CC(C1)NC1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc([N+]#[C-])n3n2)c1Cl)C#N
CC(C)NC1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCC(CC1)NC1CCS(=O)(=O)C1)C#N
Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCC(CC1)NC1CC(C1)C#N)C#N |(.17,-2.05,;1.5,-2.82,;1.5,-4.36,;.17,-5.13,;-1.16,-4.36,;-1.16,-2.82,;-2.5,-2.05,;-2.5,-.51,;-1.16,.26,;-.39,1.59,;.38,.26,;-3.83,-2.82,;-5.3,-2.35,;-6.2,-3.59,;-5.3,-4.84,;-6.07,-6.17,;-6.84,-7.51,;-3.83,-4.36,;-2.5,-5.13,;2.84,-5.13,;4.17,-4.36,;4.17,-2.82,;2.84,-2.05,;2.84,-.51,;4.17,.26,;4.17,1.8,;2.84,2.57,;1.5,1.8,;1.5,.26,;2.84,4.11,;1.5,4.88,;1.1,6.36,;-.38,5.97,;.01,4.48,;-1.72,6.74,;-3.05,7.51,;5.5,-5.13,;6.84,-5.9,)|
FC(F)(F)CNC1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
FC(F)CNC1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCC(CC1)N(CC1CC1)CC1CC1)C#N
COCCNC1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
O[C@H]1C[C@H](C1)NC1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r,wU:3.5,1.0,(10.45,-1.86,;9.11,-2.63,;8.72,-4.11,;7.23,-3.72,;7.63,-2.23,;5.89,-4.49,;4.56,-3.72,;3.23,-4.49,;1.89,-3.72,;1.89,-2.18,;3.23,-1.41,;4.56,-2.18,;.56,-1.41,;.56,.13,;-.77,.9,;-2.11,.13,;-2.11,-1.41,;-3.44,-2.18,;-4.78,-1.41,;-4.78,.13,;-6.11,.9,;-6.11,2.44,;-7.44,3.21,;-8.21,4.55,;-8.98,3.21,;-7.44,.13,;-8.91,.61,;-9.81,-.64,;-8.91,-1.88,;-9.68,-3.21,;-10.45,-4.55,;-7.44,-1.41,;-6.11,-2.18,;-.77,-2.18,;-.77,-3.72,;-.77,2.44,;-.77,3.98,)|
COC(=O)N[C@@H]1CN(C[C@@H]1C)C1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
CS(=O)(=O)C1CCN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
COC1CCN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
COC(=O)N[C@@H]1CN(C[C@H]1C)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
OC1CN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
COC(=O)N[C@@H]1CCN(C[C@H]1O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
COC(=O)N[C@H]1CCN(C[C@@H]1O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
COCCOC(=O)N[C@@H]1CCN(C[C@H]1O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
O[C@@H]1CN(CC[C@H]1NC(=O)OC1COC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
CN1CCN(CC(=O)N[C@@H]2CCN(C[C@H]2O)c2cc(cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C#N)CC1 |r|
CO[C@@H]1CN(CC[C@H]1NC(=O)OC)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
CN1CCC(=CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |c:4|
CC(C)(C)[Si](C)(C)O[C@@H]1CC(CC[C@H]1N)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
OCC1(CO)CC(C1)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
FC(F)(F)CCN1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
CC(=O)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1C1CCN(CC1)C(=O)OC1COC1)C#N
CO[C@@H]1CN(C[C@@H]1NC(=O)OC)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C(F)F |r|
CN1CC(C1)N1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C(F)F
COC1CN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C(F)F
CN1CC(CN2CCN(CC2)c2cc(cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C(F)F)C1
FC(F)c1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(c1)N1CCN(CC1)C1(COC1)C#N
FC(F)c1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(c1)N1CCN(CC1)C1(CS(=O)(=O)c2ccccc2)COC1
CC1(COC1)N1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C(F)F
FC(F)c1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(c1)N1CCC(CC1)C1COC1
COC(=O)N[C@@H]1CCN(C[C@H]1OP(O)(O)=O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
COC(=O)N[C@@H]1CCN(C[C@@H]1F)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
FC1CN(CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc([N+]#[C-])n3n2)c1Cl)C#N)C1COC1
Clc1c(Nc2nc(NC3CC3)c3ncc([N+]#[C-])n3n2)cc(cc1N1CCN(C2COC2)C(C1)C(=O)N1CCOCC1)C#N
CC(=O)N1CC(C1)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
CCNc1nc(Nc2cc(cc(N3CC[C@@H](NC(=O)OC)[C@H](O)C3)c2Cl)C#N)nn2c(cnc12)[N+]#[C-] |r|
CCNc1nc(Nc2cc(cc(N3CC[C@H](NC(=O)OC)[C@@H](O)C3)c2Cl)C#N)nn2c(cnc12)[N+]#[C-] |r|
[C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cccc(n3)C#N)nn12
CCNc1nc(Nc2cc(cc(C3CCNCC3)c2Cl)C#N)nn2c(cnc12)[N+]#[C-]
CCNc1nc(Nc2cc(cc(N3CCC(CC3)NC[C@@H](C)O)c2Cl)C#N)nn2c(cnc12)[N+]#[C-] |r|
CCNc1nc(Nc2cc(cc(N3CC[C@@H]4[C@@H](C3)OCCN4C3COC3)c2Cl)C#N)nn2c(cnc12)C#N |r|
CN1CCN(CC1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc([N+]#[C-])n3n2)c1F)C#N
CCNc1nc(Nc2cc(cc(N3CCN(CC3)C3COC3)c2Cl)C(F)F)nn2c(cnc12)[N+]#[C-]
Cc1nc(Nc2nc(Nc3ccc4n(C)nc(C#N)c4c3)nn3c(cnc23)[N+]#[C-])nn1C
C[C@@H](O)Cn1nc(C#N)c2cc(Nc3nc(Nc4nc(C)n(C)n4)c4ncc([N+]#[C-])n4n3)ccc12 |r|
CCNc1nc(Nc2ccc3n(nc(C#N)c3c2)C2CCN(C[C@H](C)O)CC2)nn2c(cnc12)C#N |r|
CCNc1nc(Nc2ccc3n(nc(C#N)c3c2)C2CCN(C[C@@H](C)O)CC2)nn2c(cnc12)C#N |r|
CCNc1nc(Nc2ccc3n(nc(C#N)c3c2)C2CCN(CC2)C2COC2)nn2c(cnc12)C#N
Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1C=C)C#N
OCc1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
CCNc1nc(Nc2cc(cc(N3CCN(CC3)C3COC3)c2Cl)C#N)nn2c(cnc12)C#N
Clc1c(NC2CCN(CC2)C2COC2)cc(cc1Nc1nc(NC2CC2)c2ncc(C#N)n2n1)C#N
CN1C(C)(C)CC(CC1(C)C)Oc1cc(F)c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc1C#N
CC1(C)CC(CC(C)(C)N1)Oc1cc(F)c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc1C#N
CN1C(C)(C)CC(CC1(C)C)Oc1cc(F)c(cc1Nc1nc(NC2CC2)c2ncc(C#N)n2n1)C#N
CN1C(C)(C)CC(CC1(C)C)Oc1cc(OC2CC(C)(C)N(C)C(C)(C)C2)c(cc1Nc1nc(NC2CC2)c2ncc(C#N)n2n1)C#N
Fc1cc(OC2CCNCC2)c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc1C#N
CCNc1nc(Nc2cc(cc(N3CCN(CC(F)F)CC3)c2Cl)C#N)nn2c(cnc12)C#N
Clc1cnc(nc1Nc1nc(NC2CC2)c2ncc([N+]#[C-])n2n1)C#N
OC(=O)c1ccc2c3sccc3c(Nc3cccc(c3)C#N)nc2c1
O=c1[nH]c2cc(ccc2c2ccccc12)-c1nnn[nH]1
OC(=O)c1ccc2c(c1)[nH]c(=O)c1ccncc21
COC(=O)c1ccc2c(c1)[nH]c(=O)c1ccncc21
CN(C)CCNc1nc2cc(ccc2c2ccccc12)C(O)=O
OC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccccc21
OC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc21
OCCCOc1nc2cc(ccc2c2sccc12)C(O)=O
COC(=O)c1ccc2c3sccc3c(Cl)nc2c1
OCCCNC(=O)c1ccc2c3sccc3c(NCCCO)nc2c1
OCCCNc1nc2cc(ccc2c2sccc12)C(O)=O
OCCNc1nc2cc(ccc2c2sccc12)C(O)=O
CN(C)CCNc1nc2cc(ccc2c2sccc12)C(O)=O
OC(=O)c1ccc2c3sccc3c(NCc3ccccn3)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3ccccc3)nc2c1
OC(=O)c1ccc2c3sccc3c(NCc3cccnc3)nc2c1
OC(=O)c1ccc2c3sccc3c(NCCN3CCOCC3)nc2c1
OC(=O)c1ccc2c3sccc3c(NCc3ccncc3)nc2c1
COc1ccccc1Nc1nc2cc(ccc2c2sccc12)C(O)=O
OC(=O)c1ccc2c3sccc3c(Nc3cccc(O)c3)nc2c1
COc1ccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c(OC)c1
Clc1nc2ccccc2c2sccc12
N(c1ccccc1)c1nc2cc(ccc2c2sccc12)-c1nnn[nH]1
CN(c1ccccc1)c1nc2cc(ccc2c2sccc12)C(O)=O
OC(=O)c1ccc2c3sccc3c(Nc3ccc(F)cc3)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3ccc(F)c(Cl)c3)nc2c1
Cc1ccccc1Nc1nc2cc(ccc2c2sccc12)C(O)=O
COc1cccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c1
OC(=O)c1ccc2c3sccc3c(Nc3ccc(Cl)cc3)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3ccc(F)cc3F)nc2c1
OC(=O)c1ccc2c3sccc3c(NC3CC3)nc2c1
OC(=O)c1ccc2c3sccc3c(nc2c1)N1CCc2ccccc12
COc1ccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)cc1Cl
OC(=O)c1ccc2c3sccc3c(Nc3ccccc3O)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3ccc(cc3)N3CCOCC3)nc2c1
COc1ccc(OC)c(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c1
OC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
OCCCn1c2cc(ccc2c2sccc2c1=O)C(O)=O
O=c1[nH]c2cc(ccc2c2sccc12)-c1nn[nH]n1
CN(C)CCn1c2cc(ccc2c2sccc2c1=O)C(O)=O
CN(C)CCNc1nc2cc(ccc2c2cnccc12)C(O)=O
N(c1ccccc1)c1nc2cc(ccc2c2cnccc12)-c1nnn[nH]1
CN(C)CCNc1nc2cc(ccc2c2cnccc12)-c1nnn[nH]1
COC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc21
COc1cccc(Nc2nc3cc(ccc3c3cnccc23)C(O)=O)c1
OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc21
COC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc21
COC(=O)c1ccc2c(c1)nc(Nc1cccc(OC)c1)c1ccncc21
OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ncncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccncc21
OC(=O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ccncc21
c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
COC(=O)c1ccc2c(c1)nc(Cl)c1ncncc21
OC(=O)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1ncncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ncncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ncncc21
C#Cc1cccc(c1)Nc2c3c(cncn3)c4ccc(cc4n2)C(=O)O
Fc1cccc(Nc2nc3cc(ccc3c3cnccc23)-c2nnn[nH]2)c1
Fc1cc(Nc2nc3cc(ccc3c3cnccc23)-c2nnn[nH]2)ccc1Cl
CNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(ccc21)C(O)=O
OC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1ccncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ccncc21
Clc1cccc(Nc2nc3cc(ccc3c3cnccc23)-c2nnn[nH]2)c1
OC(=O)c1ccc2c(c1)nc(NCc1ccccc1)c1ccncc21
OC(=O)c1ccc2c(c1)nc(NCCc1cccc(Cl)c1)c1ccncc21
OC(=O)c1ccc2c(c1)nc(NCCc1cccc(F)c1)c1ccncc21
OC(=O)c1ccc2c(c1)nc(NCCCc1ccccc1)c1ccncc21
OC(=O)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1ccncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#N)c1ccncc21
COC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
COC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(SC)ncc21
COC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(ncc21)S(C)(=O)=O
CNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(ccc21)C(=O)OC
OCc1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
OC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NC3CC3)ncc21
CCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(ccc21)C(O)=O
COCCNc1ncc2c3ccc(cc3nc(Nc3ccccc3)c2n1)C(O)=O
OCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(ccc21)C(O)=O
OCCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(ccc21)C(O)=O
OC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NC3CCNCC3)ncc21
CCN(CC)CCNc1ncc2c3ccc(cc3nc(Nc3ccccc3)c2n1)C(O)=O
OC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NCCN3CCOCC3)ncc21
OC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NCCCN3CCOCC3)ncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1nc(NC3CC3)ncc21
CCCNc1ncc2c3ccc(cc3nc(Nc3cccc(c3)C#C)c2n1)C(O)=O
COCCNc1ncc2c3ccc(cc3nc(Nc3cccc(c3)C#C)c2n1)C(O)=O
OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1nc(NC3CCNCC3)ncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1nc(NCCCN3CCOCC3)ncc21
CNc1ncc2c3ccc(cc3nc(Nc3cccc(c3)C#C)c2n1)C(O)=O
OC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1nc(NC3CC3)ncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1ncncc21
CCOc1ncc2c3ccc(cc3nc(Nc3cccc(c3)C(F)(F)F)c2n1)C(O)=O
CNc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(ccc21)C(O)=O
CN(C)c1ncc2c3ccc(cc3nc(Nc3cccc(Cl)c3)c2n1)C(O)=O
Nc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(ccc21)C(O)=O
CC(C)Nc1ncc2c3ccc(cc3nc(Nc3cccc(Cl)c3)c2n1)C(O)=O
c1cc(cc(c1)Nc2c3c(cnc(n3)NC4CC4)c5ccc(cc5n2)C(=O)O)C(F)(F)F
CCNc1ncc2c3ccc(cc3nc(Nc3cccc(Cl)c3)c2n1)C(O)=O
CNc1ncc2c3ccc(cc3nc(Nc3ccc(F)c(Cl)c3)c2n1)C(O)=O
Nc1ncc2c3ccc(cc3nc(Nc3ccc(F)c(Cl)c3)c2n1)C(O)=O
OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1nc(NC3CC3)ncc21
COCCNc1ncc2c3ccc(cc3nc(Nc3ccc(F)c(Cl)c3)c2n1)C(O)=O
CCOCCNc1ncc2c3ccc(cc3nc(Nc3cccc(c3)C#C)c2n1)C(O)=O
CCOCCCNc1ncc2c3ccc(cc3nc(Nc3cccc(c3)C#C)c2n1)C(O)=O
CC(C)OCCCNc1ncc2c3ccc(cc3nc(Nc3cccc(c3)C#C)c2n1)C(O)=O
OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1nc(NCC3CCCO3)ncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1nc(NCC3CC3)ncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1nc(O)ncc21
Cc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(ccc21)C(O)=O
CONc1ncc2c3ccc(cc3nc(Nc3cccc(c3)C#C)c2n1)C(=O)OC
COC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1nc(NCCC(N)=O)ncc21
COC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(SCc3ccccc3Cl)ncc21
NC(=O)CCNc1ncc2c3ccc(cc3nc(Nc3cccc(Cl)c3)c2n1)C(O)=O
OC(=O)CCNc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(ccc21)C(O)=O
OC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(SCc3ccccc3Cl)ncc21
CCOc1ncc2c3ccc(cc3nc(NC3CC3)c2n1)C(O)=O
OC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(NC3CC3)ncc21
OC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCc3ccccc3)ncc21
OC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(Nc3ccccc3)ncc21
OC(=O)c1ccc2c(c1)nc(Nc1cncc(c1)C1CC1)c1ccncc21
Cc1cccc(Nc2nc3cc(ccc3c3cnccc23)C(O)=O)c1
OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1ccncc21
OC(=O)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1nc(NC3CC3)ncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1nc(NC3CC3)ncc21
COc1cccc(Nc2nc3cc(ccc3c3cnc(NC4CC4)nc23)C(O)=O)c1
OC(=O)c1ccc2c(c1)nc(NCc1cccnc1)c1nc(NC3CC3)ncc21
OC(=O)c1ccc2c(c1)nc(NCc1ccccc1)c1nc(NC3CC3)ncc21
OC(=O)c1ccc2c(c1)nc(N1CCOCC1)c1nc(NC3CC3)ncc21
CN(C)CCNc1ncc2c3ccc(cc3nc(Nc3ccc(F)c(Cl)c3)c2n1)C(O)=O
CC1CCCCN1CCCNc1ncc2c3ccc(cc3nc(Nc3ccc(F)c(Cl)c3)c2n1)C(O)=O
OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1nc(NCc3ccccn3)ncc21
COC(CNc1ncc2c3ccc(cc3nc(Nc3ccc(F)c(Cl)c3)c2n1)C(O)=O)OC
FC(F)(F)c1cccc(Nc2nc3cc(ccc3c3cnc(NC4CC4)nc23)C(=O)NC2CC2)c1
CNC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
Cc1cc(Nc2ncc3c4ccc(cc4nc(Nc4ccc(F)c(Cl)c4)c3n2)C(O)=O)[nH]n1
OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1nc(NCc3cccnc3)ncc21
OC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(Nc3ccccc3)ncc21
OC(=O)c1ccc2c(c1)nc(NC1CC1)c1ccncc21
CC(C)OC(=O)Nc1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
COC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(SC)ncc21
CN(C)CCNc1nc2cc(ccc2c2cnc(NC3CC3)nc12)C(O)=O
Nc1ncc2c3ccc(cc3nc(NC3CC3)c2n1)C(O)=O
CCCNc1ncc2c3ccc(cc3nc(NC3CC3)c2n1)C(O)=O
CNc1ncc2c3ccc(cc3nc(NC3CC3)c2n1)C(O)=O
CN(C)c1ncc2c3ccc(cc3nc(NC3CC3)c2n1)C(O)=O
NC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21
CC(=O)Nc1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
Nc1ncc2c(n1)c(Nc1cccc(c1)C(F)(F)F)nc1cc(ccc21)C(O)=O
OC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCc3ccncc3)ncc21
OCCNc1ncc2c3ccc(cc3nc(NC3CC3)c2n1)C(O)=O
OC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCc3ccccn3)ncc21
OC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCCc3ccccc3)ncc21
CC(C)Nc1ncc2c3ccc(cc3nc(NC3CC3)c2n1)C(O)=O
OC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(Nc3cccc(c3)C(F)(F)F)ncc21
OC(=O)c1ccc2c3sccc3c(NCCN3CCCC3)nc2c1
OC(=O)c1ccc2c3sccc3c(NCCc3ccccc3)nc2c1
CN(C)CCNc1nc2cc(ccc2c2sccc12)-c1nnn[nH]1
Fc1ccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)cc1
Fc1ccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)cc1Cl
COc1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
Clc1ccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)cc1
COc1ccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)cc1Cl
COc1ccc(OC)c(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
FC(F)(F)Oc1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
CC(C)Oc1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
COc1cc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)cc(OC)c1
COc1cc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)ccc1F
FC(F)(F)c1cccc(Nc2nc3cc(ccc3c3sccc23)C2=NNNN2)c1 |t:26|
OCc1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
Clc1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
CNC(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
NS(=O)(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
CC(=O)Nc1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
Brc1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
Fc1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
Cc1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
CCOc1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
CCc1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
C1COc2cc(Nc3nc4cc(ccc4c4sccc34)-c3nnn[nH]3)ccc2O1
OC(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
OC(=O)c1ccc2c3sccc3c(Nc3cc(F)cc(F)c3)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3cccc(F)c3)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3cccc(Cl)c3)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3cc(Cl)ccc3F)nc2c1
CCOc1cccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c1
OC(=O)c1ccc2c3sccc3c(Nc3cccc(Oc4ccccc4)c3)nc2c1
CNC(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c1
NS(=O)(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c1
OC(=O)c1ccc2c3sccc3c(Nc3cccc(c3)C#C)nc2c1
CCCNC(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
O=C(N1CCOCC1)c1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
CN(C)CCNC(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
COC(=O)CNC(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
O=C(NCc1cccnc1)c1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
CN(C)C(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
O=C(NC1CC1)c1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
Cc1cc(CNC(=O)c2cccc(Nc3nc4cc(ccc4c4sccc34)-c3nnn[nH]3)c2)no1
COCCNC(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
CC(=O)N1CCN(CC1)C(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
CCCNC(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c1
OC(=O)c1ccc2c3sccc3c(Nc3cccc(c3)C(=O)N3CCOCC3)nc2c1
OC(=O)CNC(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c1
CN(C)CCNC(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c1
OC(=O)c1ccc2c3sccc3c(Nc3cccc(c3)C(=O)NC3CC3)nc2c1
CNC(=O)Cc1cccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c1
OC(=O)c1ccc2c3sccc3c(Nc3cccc(Br)c3)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3cccc(Cl)c3F)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3ccc4[nH]ccc4c3)nc2c1
Cc1cccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c1
OC(=O)c1ccc2c3sccc3c(Nc3ccc4cc[nH]c4c3)nc2c1
CNS(=O)(=O)c1cccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c1
OC(=O)c1ccc2c3sccc3c(Nc3cccc(c3)C(F)(F)F)nc2c1
CCc1cccc(Nc2nc3cc(ccc3c3sccc23)C(O)=O)c1
OC(=O)c1ccc2c3sccc3c(Nc3cccc(I)c3)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3cccc(F)c3F)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3cc(F)cc(c3)C(F)(F)F)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3cc(F)cc(c3)C(O)=O)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3cc(F)ccc3F)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3cccc(c3)S(=O)(=O)NC3CC3)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3cc(Cl)cc(Cl)c3)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3ccc(F)c(F)c3)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3cc(F)cc(Cl)c3)nc2c1
OC(=O)c1ccc2c3sccc3c(Nc3cc(F)cc(c3)C#N)nc2c1
Fc1cc(Cl)cc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
C#Cc1cccc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
Fc1cc(F)cc(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
OC(=O)c1ccc2c3scnc3c(Nc3ccccc3)nc2c1
COc1cccc(Nc2nc3cc(ccc3c3scnc23)C(O)=O)c1
OC(=O)c1ccc2c3scnc3c(Nc3ccc(F)c(Cl)c3)nc2c1
OC(=O)c1ccc2c3scnc3c(Nc3cccc(F)c3)nc2c1
OC(=O)c1ccc2c3scnc3c(Nc3cccc(c3)C#C)nc2c1
OC(=O)c1ccc2c3scnc3c(=O)[nH]c2c1
Nc1nc2c(s1)c1ccc(cc1[nH]c2=O)C(O)=O
N(c1ccccc1)c1nc2cc(ccc2c2sccc12)-c1nnc[nH]1
COC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ncncc21
Nc1cc2c(Nc3cccc(Cl)c3)nc3cc(ccc3c2cn1)C(O)=O
Cc1ccc(cc1)N/C=C\2/c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O
[#6]\[#6](-[#6])=[#6]\[#6](=O)-c1oc2c(Cl)c(Cl)c(-[#8])c(C#N)c2c1-[#7]
[#6]\[#6](-[#6])=[#6]\[#6](=O)-c1oc2c(Cl)c(Cl)c(-[#8]-[#6](-[#6])=O)c(C#N)c2c1-[#7]
CCOC(=O)c1oc2c(Cl)c(Cl)c(OC(C)=O)c(C#N)c2c1N
Brc1c(Br)c(Br)c2[nH]cnc2c1Br
Brc1c(Br)c(Br)c2n(CCN=[N+]=[N-])cnc2c1Br
ClCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Brc1c(Br)c(Br)c2n(CCCN=[N+]=[N-])cnc2c1Br
OC(=O)c1cn(CCn2cnc3c(Br)c(Br)c(Br)c(Br)c23)nn1
OC(=O)CCc1cn(CCn2cnc3c(Br)c(Br)c(Br)c(Br)c23)nn1
OC(=O)c1cn(CCCn2cnc3c(Br)c(Br)c(Br)c(Br)c23)nn1
OC(=O)CCc1cn(CCCn2cnc3c(Br)c(Br)c(Br)c(Br)c23)nn1
Cc1c(Br)c(Br)c(Br)c2nc[nH]c12
OC(=O)c1cn(CCCn2nc3c(Br)c(Br)c(Br)c(Br)c3n2)nn1
OC(=O)CCc1cn(CCCn2nc3c(Br)c(Br)c(Br)c(Br)c3n2)nn1
CCNc1nc(Nc2cc(cc(N3CCN(CC3)[C@@H](C)C(N)=O)c2Cl)C#N)nn2c(cnc12)C#N |r|
CCNc1nc(nn2c(cnc12)C#N)N(C(=O)OCOC(=O)Cc1ccc(OP(O)(O)=O)cc1)c1cc(cc(N2CCN(CC2)[C@@H](C)C(N)=O)c1Cl)C#N |r|
CCNc1nc(nn2c(cnc12)C#N)N(C(=O)OCOC(=O)\C=C\C(O)=O)c1cc(cc(N2CCN(CC2)[C@@H](C)C(N)=O)c1Cl)C#N |r|
CCNc1nc(nn2c(cnc12)C#N)N(C(=O)OCOC(=O)CC(C)(C)COP(O)(O)=O)c1cc(cc(N2CCN(CC2)[C@@H](C)C(N)=O)c1Cl)C#N |r|
CCNc1nc(nn2c(cnc12)C#N)N(C(=O)OCOC(=O)CC(C)(C)c1c(C)cc(C)cc1OP(O)(O)=O)c1cc(cc(N2CCN(CC2)[C@@H](C)C(N)=O)c1Cl)C#N |r|
O=c1[nH]c2ccccc2c2sccc12
CN(C)CCNC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
CC(C)(C)OC(=O)CCNC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
O=C(Nc1ccccc1)c1ccc2c3sccc3c(=O)[nH]c2c1
COC(=O)CNC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
CC(=O)N1CCN(CC1)C(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
O=C(NC1CC1)c1ccc2c3sccc3c(=O)[nH]c2c1
O=C(NCc1ccccc1)c1ccc2c3sccc3c(=O)[nH]c2c1
COC(=O)c1ccccc1NC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
COc1ccccc1CNC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
Cc1cc(CNC(=O)c2ccc3c4sccc4c(=O)[nH]c3c2)no1
COc1ccc(CNC(=O)c2ccc3c4sccc4c(=O)[nH]c3c2)cc1
O=C(NCc1ccccn1)c1ccc2c3sccc3c(=O)[nH]c2c1
O=C(NCCc1ccccc1)c1ccc2c3sccc3c(=O)[nH]c2c1
O=C(NCc1ccncc1)c1ccc2c3sccc3c(=O)[nH]c2c1
O=C(NCc1cccnc1)c1ccc2c3sccc3c(=O)[nH]c2c1
O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc2c3sccc3c(=O)[nH]c2c1
O=C(N1CCNCC1)c1ccc2c3sccc3c(=O)[nH]c2c1
NC1CCN(CC1)C(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
OC(=O)c1ccccc1NC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
NC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
OCc1ccc2c3sccc3c(=O)[nH]c2c1
O=c1[nH]c2cc(ccc2c2sccc12)C#N
NC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C(F)(F)F)c1nc(NC3CC3)ncc21
COc1cc(Nc2nc3cc(ccc3c3sccc23)C2=NNNN2)cc(OC)c1 |t:22|
O=S(=O)(NCCN1CCC(Cn2cc(nn2)-c2c[nH]c3ccccc23)CC1)c1ccccc1
Clc1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c[nH]c3ccccc23)CC1
Fc1ccc2[nH]cc(-c3cn(CC4CCN(CCNS(=O)(=O)c5ccc(Cl)cc5)CC4)nn3)c2c1
OC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)nn1
OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)nn1
CCOC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)nn1
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)nn1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)nn1
CCOC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)nn1
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)nn1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)nn1
CCOC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)C(F)(F)F)CC2)nn1
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)C(F)(F)F)CC2)nn1
CCOC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(CC)cc3)CC2)nn1
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(CC)cc3)CC2)nn1
CCOC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc4ccccc4c3)CC2)nn1
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc4ccccc4c3)CC2)nn1
CCOC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)C(C)C)CC2)nn1
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)C(C)C)CC2)nn1
CCc1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(=O)OC(C)C)CC1
CCc1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(Cl)cc23)C(=O)OC(C)C)CC1
CC(C)COC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)C(F)(F)F)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)C(F)(F)F)CC2)nn1
CCc1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(=O)OCC(C)C)CC1
CCc1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(Cl)cc23)C(=O)OCC(C)C)CC1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc4ccccc4c3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(Cl)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc4ccccc4c3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)C(C)C)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(CC(C)C)cc3)CC2)nn1
CCc1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(=O)OCCO)CC1
CCc1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(=O)OCCN)CC1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3ccccc3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)C3CCCCC3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(OC(C)C)cc3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)N3CCC(Cc4ccccc4)CC3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)N3CCC(CC3)c3ccccc3)CC2)nn1
CCC(C)c1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(=O)OCC(C)C)CC1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc4CCCc4c3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)C(C)(C)C)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)Cc3ccc(cc3)C(F)(F)F)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)Cc3ccc(Cl)cc3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)Cc3cccc(Cl)c3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)Cc3ccc(Br)cc3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)Cc3cccc(Br)c3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3cn[nH]c3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)C3=CCC(F)(F)CC3)CC2)nn1 |t:40|
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3ccoc3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc4OCCCOc4c3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3cccnc3N3CCCC3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)C3=CCOCC3)CC2)nn1 |t:40|
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3ccccc3CN3CCOCC3)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3ccccc3C#N)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3c(C)noc3C)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3cccnc3Cl)CC2)nn1
CC(C)Cc1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(C)=O)CC1
CCCCC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(CC(C)C)cc3)CC2)nn1
COc1cccc(CO)c1-c1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(=O)OCC(C)C)CC1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3c(F)cccc3F)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3ccccc3N(C)C)CC2)nn1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)Cc3ccc(C)cc3)CC2)nn1
CC(C)Cc1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(=O)C2CC2)CC1
CC(C)Cc1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c(C=O)[nH]c3ccc(F)cc23)CC1
CC(C)Cc1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(=O)C(C)C)CC1
Cc1noc(C)c1-c1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(=O)C2CC2)CC1
CC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3c(C)noc3C)CC2)nn1
COc1cccc(CO)c1-c1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(C)=O)CC1
CC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3c(F)cccc3F)CC2)nn1
CC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3cccnc3F)CC2)nn1
COCc1ccccc1-c1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(=O)OCC(C)C)CC1
Fc1ccc2[nH]c(C(=O)C3CC3)c(-c3cn(CC4CCN(CCNS(=O)(=O)N5CCC(CC5)c5c(F)cccc5F)CC4)nn3)c2c1
Fc1ccc2[nH]c(C(=O)C3CC3)c(-c3cn(CC4CCN(CCNS(=O)(=O)Cc5ccc(cc5)C(F)(F)F)CC4)nn3)c2c1
CC(C)CC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)Cc3ccc(cc3)C(F)(F)F)CC2)nn1
CC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)N3CCC(CC3)c3c(F)cccc3F)CC2)nn1
CC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(CC4CC4)cc3)CC2)nn1
CC(C)Cc1ccc(cc1)S(=O)(=O)NCCN1CC[C@H](Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(C)=O)C1 |r|
CC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3c(O)cccc3F)CC2)nn1
CC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3ccccc3C(F)(F)F)CC2)nn1
COc1cccc(F)c1-c1ccc(cc1)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(C)=O)CC1
CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3c(O)cccc3C(F)(F)F)CC2)nn1
CCC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3c(O)cccc3F)CC2)nn1
CCC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3c(CO)cccc3OC)CC2)nn1
CCC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)Cc3ccc(cc3)C(F)(F)F)CC2)nn1
CC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3ccccc3O)CC2)nn1
CC(=O)c1[nH]c2ccc(F)cc2c1-c1cn(CC2CCN(CCNS(=O)(=O)c3ccc(cc3)-c3c(F)cccc3C(F)(F)F)CC2)nn1
COc1cccc(CO)c1-c1ccc(cc1F)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(C)=O)CC1 |(-8.41,5.78,;-7.01,6.41,;-6.85,7.94,;-8.09,8.85,;-7.93,10.38,;-6.52,11,;-5.28,10.1,;-3.87,10.72,;-2.62,9.82,;-5.44,8.57,;-4.19,7.66,;-2.79,8.29,;-1.54,7.38,;-1.7,5.85,;-3.11,5.22,;-4.35,6.13,;-5.76,5.5,;-.46,4.95,;.45,6.19,;-1.36,3.7,;.79,4.04,;.63,2.51,;1.88,1.6,;1.71,.07,;.31,-.55,;.15,-2.09,;1.39,-2.99,;1.23,-4.52,;2.48,-5.43,;2.48,-6.97,;3.94,-7.44,;4.85,-6.2,;3.94,-4.95,;4.42,-8.91,;3.51,-10.15,;4.42,-11.4,;5.88,-10.92,;7.22,-11.69,;8.55,-10.92,;8.55,-9.38,;9.88,-8.61,;7.22,-8.61,;5.88,-9.38,;1.97,-10.15,;1.2,-8.82,;1.2,-11.49,;2.8,-2.36,;2.96,-.83,)|
COc1cccc(CO)c1-c1ccc(cc1C)S(=O)(=O)NCCN1CCC(Cn2cc(nn2)-c2c([nH]c3ccc(F)cc23)C(C)=O)CC1 |(-8.41,5.78,;-7.01,6.41,;-6.85,7.94,;-8.09,8.85,;-7.93,10.38,;-6.52,11,;-5.28,10.1,;-3.87,10.72,;-2.62,9.82,;-5.44,8.57,;-4.19,7.66,;-2.79,8.29,;-1.54,7.38,;-1.7,5.85,;-3.11,5.22,;-4.35,6.13,;-5.76,5.5,;-.46,4.95,;.45,6.19,;-1.36,3.7,;.79,4.04,;.63,2.51,;1.88,1.6,;1.71,.07,;.31,-.55,;.15,-2.09,;1.39,-2.99,;1.23,-4.52,;2.48,-5.43,;2.48,-6.97,;3.94,-7.44,;4.85,-6.2,;3.94,-4.95,;4.42,-8.91,;3.51,-10.15,;4.42,-11.4,;5.88,-10.92,;7.22,-11.69,;8.55,-10.92,;8.55,-9.38,;9.88,-8.61,;7.22,-8.61,;5.88,-9.38,;1.97,-10.15,;1.2,-8.82,;1.2,-11.49,;2.8,-2.36,;2.96,-.83,)|
[O-]C(=O)c1ccc2c(c1)cc(Br)c1ccncc21
[O-]C(=O)c1ccc2c(ccc3ccncc23)c1
[O-]C(=O)c1ccc2c(c1)cc(Cl)c1ccncc21
[O-]C(=O)c1ccc2c(c1)cc(Nc1ccc(Cl)cc1)c1ccncc21
[O-]C(=O)c1ccc2c(c1)cc(-c1ccc(Cl)cc1)c1ccncc21
[O-]C(=O)c1ccc2c(c1)cc(-c1cccnc1)c1ccncc21
[O-]C(=O)c1ccc2c(c1)cc(-c1ccncc1)c1ccncc21
Cc1cc2cc(ccc2c2cnccc12)C([O-])=O
Nc1ccc(cn1)-c1cc2cc(ccc2c2cnccc12)C([O-])=O
[O-]C(=O)c1ccc2c(c1)cc(-c1cc[nH]n1)c1ccncc21
[O-]C(=O)c1ccc2c(c1)cc(NC1CCCCC1)c1ccncc21
OC(=O)c1ccc2c(c1)cc(N[C@@H]1CCCNC1)c1ccncc21
N[C@@H]1CCCN(C1)c1cc2cc(ccc2c2cnccc12)C(O)=O
[O-]C(=O)c1ccc2c(c1)cc(NC1CCCC1)c1ccncc21
CCC(C)Nc1cc2cc(ccc2c2cnccc12)C([O-])=O
[O-]C(=O)c1ccc2c(c1)cc(NC1CC1)c1ccncc21
[O-]C(=O)c1ccc2c(c1)cc(NC1CCC1)c1ccncc21
CC[C@H](C)Nc1cc2cc(ccc2c2cnccc12)C(O)=O
[O-]C(=O)c1ccc2c(c1)cc(N1CCCCC1)c1ccncc21
CC(C)Nc1cc2cc(ccc2c2cnccc12)C([O-])=O
CC[C@@H](C)Nc1cc2cc(ccc2c2cnccc12)C([O-])=O
[O-]C(=O)c1ccc2c(cc(Br)c3ccnc(Cl)c23)c1
[O-]C(=O)c1ccc2c(cc(Br)c3cc(Cl)ncc23)c1
[O-]C(=O)c1ccc2c(ccc3ccnc(Cl)c23)c1
[O-]C(=O)c1ccc2c(c1)cc([N+]([O-])=O)c1ccncc21
[O-]C(=O)c1ccc2c(c1)cc(C#N)c1ccncc21
[O-]C(=O)c1ccc2c(c1)cc(C1CC1)c1ccncc21
Nc1nccc2c(Br)cc3cc(ccc3c12)C([O-])=O
CN(C)c1nccc2c(Br)cc3cc(ccc3c12)C([O-])=O
[O-]C(=O)c1ccc2c(cc(Br)c3ccnc(NC4CC4)c23)c1
CNc1nccc2c(Br)cc3cc(ccc3c12)C([O-])=O
NC(=O)c1ccc2c(c1)cc(Br)c1ccnc(N)c21
COc1nccc2c(Br)cc3cc(ccc3c12)C([O-])=O
Nc1nccc2cc(Br)c3cc(ccc3c12)C([O-])=O
OC(=O)c1cccc(NC(=O)CCNC(=O)CCNCc2ccc(c(Cl)c2)-c2ccccc2)c1
COC(=O)CC(=O)NCCCNCc1ccc(c(Cl)c1)-c1ccccc1
OC(=O)CC(=O)NCCCNCc1ccc(c(Cl)c1)-c1ccccc1
OC(=O)c1cccc(NC(=O)CC(=O)NCCCNCc2ccc(c(Cl)c2)-c2ccccc2)c1
CCCOc1ccc(CN)cc1Cl
NCc1ccc(OC2CCCC2)c(Cl)c1
NCc1ccc(-c2ccoc2)c(Cl)c1
c1cc(cc(c1)N)C(=O)O
Cc1ccc(c(c1)C(=O)O)O
CC(C)Oc1ccc(CN)cc1Cl
NCc1ccc(c(Cl)c1)-c1ccccc1
NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O |r|
OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O |r|
OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O |r|
OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(O)=O |r|
OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O |r|
NCCCC[C@H](NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O |r,c:16|
CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)S(O)(=O)=O |r,c:16|
CCN1c2cc(ccc2\C(=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(O)=O)S(O)(=O)=O |r,c:14|
NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12)C(O)=O |r|
CCN1c2cc(ccc2\C(=C/C=C/C=C/C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12)C(O)=O)S(O)(=O)=O |r,c:16|
NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(ccc2c2cnccc12)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
OC(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCn1c2cc(ccc2c2cnccc2c1=O)C(O)=O)C(O)=O |r|
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CCCCCNC(=O)CCC(=O)Nc3ncc(s3)-c3ccc(cc3)C(O)=O)C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:68.69,52.53,36.37,24.24,wD:60.61,44.45,28.29,(52.33,-32.38,;53.68,-33.14,;53.69,-34.68,;55,-32.35,;54.98,-30.81,;56.3,-30.03,;57.64,-30.79,;58.96,-30,;58.94,-28.46,;57.59,-27.71,;57.58,-26.17,;58.91,-25.39,;60.24,-26.13,;60.27,-27.67,;61.61,-28.42,;62.69,-27.33,;62.37,-29.75,;58.89,-23.85,;60.22,-23.07,;57.55,-23.1,;57.53,-21.56,;56.19,-20.8,;56.17,-19.26,;54.83,-18.5,;54.81,-16.96,;53.47,-16.21,;52.15,-16.99,;52.16,-18.53,;50.81,-16.24,;50.79,-14.7,;52.11,-13.91,;53.46,-14.67,;52.1,-12.37,;49.48,-17.02,;48.14,-16.27,;48.12,-14.73,;46.81,-17.05,;46.83,-18.59,;48.17,-19.35,;49.5,-18.56,;48.19,-20.89,;45.47,-16.29,;44.15,-17.08,;44.16,-18.62,;42.8,-16.32,;42.79,-14.78,;44.11,-14,;45.45,-14.75,;44.1,-12.46,;41.48,-17.11,;40.14,-16.35,;40.12,-14.81,;38.81,-17.14,;38.83,-18.68,;40.17,-19.43,;41.49,-18.65,;40.19,-20.97,;37.47,-16.38,;36.14,-17.16,;36.16,-18.7,;34.8,-16.41,;34.79,-14.87,;36.11,-14.08,;37.45,-14.84,;36.09,-12.54,;33.48,-17.19,;32.13,-16.44,;32.12,-14.9,;30.81,-17.22,;30.83,-18.76,;32.17,-19.52,;33.49,-18.73,;32.18,-21.06,;29.47,-16.47,;28.14,-17.25,;28.16,-18.79,;26.8,-16.49,;25.47,-17.28,;24.13,-16.52,;22.81,-17.31,;21.47,-16.55,;20.14,-17.34,;18.8,-16.58,;18.78,-15.04,;17.47,-17.36,;16.13,-16.61,;14.81,-17.39,;14.82,-18.93,;13.46,-16.64,;12.14,-17.42,;10.89,-16.51,;9.65,-17.42,;10.12,-18.88,;11.66,-18.88,;9.33,-20.21,;7.79,-20.19,;7,-21.52,;7.76,-22.87,;9.31,-22.88,;10.09,-21.55,;6.98,-24.2,;7.74,-25.54,;5.44,-24.18,;56.14,-16.18,;57.48,-16.94,;56.12,-14.64,;60.3,-30.75,;61.61,-29.97,;62.94,-30.71,;62.97,-32.25,;61.65,-33.03,;60.31,-32.28,;58.99,-33.08,;57.65,-32.32,;56.33,-33.1,;64.31,-33,;64.33,-34.54,;65.63,-32.21,)|
Nc1ncc(s1)-c1ccc(cc1)C(O)=O
NCCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CCCCCNC(=O)CCC(=O)Nc1ncc([se]1)-c1ccc(cc1)C(O)=O)C(O)=O |r|
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CCCCCNC(=O)CCC(=O)Nc3ncc([se]3)-c3ccc(cc3)C(O)=O)C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:68.69,52.53,36.37,24.24,wD:60.61,44.45,28.29,(48.65,-57.27,;50,-58.03,;50.02,-59.57,;51.32,-57.24,;51.3,-55.7,;52.63,-54.92,;53.96,-55.68,;55.28,-54.89,;55.26,-53.35,;53.92,-52.6,;53.9,-51.06,;55.23,-50.28,;56.57,-51.02,;56.59,-52.56,;57.93,-53.31,;59.02,-52.22,;58.69,-54.64,;55.21,-48.74,;56.54,-47.96,;53.87,-47.99,;53.85,-46.45,;52.51,-45.69,;52.49,-44.15,;51.15,-43.39,;51.14,-41.85,;49.79,-41.1,;48.47,-41.88,;48.49,-43.42,;47.13,-41.13,;47.11,-39.59,;48.44,-38.8,;49.78,-39.56,;48.42,-37.26,;45.8,-41.91,;44.46,-41.16,;44.44,-39.62,;43.13,-41.94,;43.15,-43.48,;44.49,-44.24,;45.82,-43.45,;44.51,-45.78,;41.79,-41.18,;40.47,-41.97,;40.48,-43.51,;39.13,-41.21,;39.11,-39.67,;40.43,-38.89,;41.78,-39.64,;40.42,-37.35,;37.8,-42,;36.46,-41.24,;36.44,-39.7,;35.13,-42.03,;35.15,-43.57,;36.49,-44.32,;37.82,-43.54,;36.51,-45.86,;33.79,-41.27,;32.47,-42.05,;32.48,-43.59,;31.12,-41.3,;31.11,-39.76,;32.43,-38.97,;33.77,-39.73,;32.42,-37.43,;29.8,-42.08,;28.46,-41.33,;28.44,-39.79,;27.13,-42.11,;27.15,-43.65,;28.49,-44.41,;29.81,-43.62,;28.51,-45.95,;25.79,-41.36,;24.46,-42.14,;24.48,-43.68,;23.12,-41.38,;21.8,-42.17,;20.45,-41.41,;19.13,-42.2,;17.79,-41.44,;16.46,-42.23,;15.12,-41.47,;15.1,-39.93,;13.79,-42.25,;12.45,-41.5,;11.13,-42.28,;11.14,-43.82,;9.78,-41.53,;8.46,-42.31,;7.21,-41.4,;5.97,-42.31,;6.44,-43.78,;7.98,-43.78,;5.65,-45.11,;4.11,-45.08,;3.32,-46.41,;4.08,-47.76,;5.63,-47.77,;6.41,-46.44,;3.3,-49.09,;4.06,-50.43,;1.76,-49.07,;52.46,-41.07,;53.8,-41.83,;52.45,-39.53,;56.62,-55.64,;57.93,-54.86,;59.26,-55.6,;59.29,-57.14,;57.97,-57.92,;56.64,-57.17,;55.31,-57.97,;53.97,-57.21,;52.65,-57.99,;60.63,-57.89,;60.66,-59.43,;61.96,-57.1,)|
NCCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CCCCCNC(=O)CCC(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O)C(O)=O |r|
COc1cc(ccc1-c1cncc(n1)-n1ncc2ccc(NC(C)C)cc12)C(O)=O
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(CN)cc3)c2c1
CC(C)Nc1ccc2cnn(-c3cncc(NCCCNC(C)=O)n3)c2c1
CC(=O)NCC(=O)Nc1ccc2cnn(-c3cncc(n3)C#N)c2c1
CC(=O)Nc1cccc(c1)-c1ccc2cnn(-c3cncc(n3)C#N)c2c1
CC(C)Nc1ccc2ccn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)C(O)C(F)(F)F)c2c1
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cn3)C(O)=O)c2c1
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(nc3)C(O)=O)c2c1
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(C(O)=O)c(C)c3)c2c1
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3F)C(O)=O)c2c1
CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O
CN(C)C(=O)c1ccc(Nc2ncc(cn2)-c2ccc(cc2)C(O)=O)cc1
COc1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1-c1ccc(s1)C(N)=O
COc1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1-c1ccc(s1)C(O)=O
CC(=O)Nc1ccc2n(CCC(O)=O)cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3csc(c3)C(O)=O)c2c1
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3Cl)C(O)=O)c2c1
CC(C)Nc1ccc2cnn(-c3cncc(NCCCN)n3)c2c1
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(C(O)=O)c(F)c3)c2c1
COc1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1-c1csc(c1)C(O)=O
CC(=O)NCCC(=O)Nc1ccc2cnn(-c3cncc(n3)C#N)c2c1
CC(=O)NCCCC(=O)Nc1ccc2cnn(-c3cncc(n3)C#N)c2c1
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)-c3nnn[nH]3)c2c1
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3cccc(c3)C(O)=O)c2c1
CN(C)C(=O)c1ccc(cc1)Nc2ncc(c(n2)OC)c3cc(cs3)C(=O)O
CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)C(=O)NS(C)(=O)=O)c2c1
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(CNC(C)=O)cc3)c2c1
Oc1cc(c2cc(ccc2c1\N=N\c1ccc2ccccc2c1O)[N+]([O-])=O)S(O)(=O)=O
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
[H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1
COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O
COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
COc1cc(O)c(C(O)=O)c(c1)C1=C(C)C[C@@H](O)C1=O |r,wD:16.17,c:13,(10.48,-22.79,;11.26,-21.46,;10.49,-20.12,;11.26,-18.8,;10.49,-17.47,;11.26,-16.14,;8.97,-17.47,;8.2,-16.14,;8.96,-14.8,;6.65,-16.13,;8.21,-18.79,;8.97,-20.12,;6.66,-18.79,;5.76,-17.54,;4.98,-16.2,;4.29,-18.01,;4.29,-19.55,;3.04,-20.45,;5.75,-20.03,;6.22,-21.5,)|
COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O
COc1cc(O)c2C(=O)c3c(O)c(O)c(C)cc3C(=O)c2c1
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1
Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
OC[C@H]1O[C@@H]([C@H](O)[C@@H]1O)n1cnc2cc(Cl)c(Cl)cc12
CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2[N+]([O-])=O)C1=O |c:11,t:16,20|
Oc1ccc2c3ccc(O)c(Br)c3oc(=O)c2c1
c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O
OC(=O)\C=C\c1cc(Br)c(Br)c(Br)c1Br
COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O
CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br
CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
OC(=O)c1ccc(Nc2nc(cs2)-c2cc3ccccc3o2)cc1
OC(=O)c1ccc(Nc2nc(cs2)-c2ccc3ccccc3c2)cc1O
OC(=O)c1ccc(Nc2nc(cs2)-c2ccccn2)cc1
OC(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
COc1ccc(-c2csc(Nc3ccc(cc3)C(O)=O)n2)c(OC)c1
COc1cccc(c1)-c1csc(Nc2ccc(cc2)C(O)=O)n1
OC(=O)c1ccc(Nc2nc(cs2)-c2ccc3ccccc3c2)cc1
OC(=O)c1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
OC(=O)c1ccc(Nc2nc(cs2)-c2ccc3sccc3c2)cc1
OC(=O)c1cccc(Nc2nc(cs2)-c2ccc3ccccc3c2)c1
COc1ccc(cc1Nc1nc(cs1)-c1ccc2ccccc2c1)C(O)=O
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
[O-][N+](=O)c1cccc(c1)-c1csc(Nc2ccccc2)n1
OC(=O)Cc1ccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)cc1
COc1ccc(cc1)-c1csc(Nc2ccc(cc2)C(O)=O)n1
COC(=O)c1ccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)cc1
OC(=O)c1ccc(Nc2nc(cs2)-c2cc(Br)ccc2O)cc1
N(c1nc(cs1)-c1ccc2ccccc2c1)c1ccccc1
N#Cc1ccc(Nc2nc(cs2)-c2ccc3ccccc3c2)cc1
OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(Br)c2)cc1
CCc1ccccc1-c1c(Cl)cc(CNCCc2nc3ccccc3[nH]2)cc1Cl |(16,-37.2,;14.66,-36.43,;13.33,-37.2,;13.34,-38.74,;12,-39.52,;10.67,-38.75,;10.67,-37.21,;12,-36.44,;12,-34.9,;10.67,-34.13,;9.33,-34.9,;10.67,-32.59,;12,-31.82,;11.99,-30.28,;13.32,-29.5,;13.32,-27.96,;14.65,-27.19,;14.65,-25.65,;15.88,-24.74,;15.4,-23.27,;16.16,-21.94,;15.39,-20.62,;13.85,-20.63,;13.09,-21.96,;13.86,-23.28,;13.39,-24.74,;13.33,-32.58,;13.34,-34.13,;14.67,-34.9,)|
CC(C)(C)c1csc(Nc2ccc(cc2)C(O)=O)n1
OC(=O)c1ccc(Nc2nc(cs2)-c2ccsc2)cc1
OC(=O)c1ccccc1Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
OC(=O)c1ccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)cc1
OC(=O)c1cccc(Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c1
OC(=O)c1ccc(Nc2nc(cs2)-c2ccccc2)cc1
COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(F)(F)F
Cc1cc(NC2=NC(=O)\C(S2)=C/c2c3ccccc3cc3ccccc23)no1 |t:5|
CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2)c3ccc(c(c3)O)C(=O)O
CC(C)(C)OC(=O)N1CCOCCOc2cc(ccc2C(O)=O)-c2cnn3ccc1nc23
COC(=O)c1ccc(cc1O)-c1cnn2ccc(nc12)N(CCOCCO)C(=O)OC(C)(C)C
COC(=O)c1ccc-2cc1OCCOCCN(C(=O)OC(C)(C)C)c1ccn3ncc-2c3n1
COC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
c1cc(c2cc1-c3cnn4c3nc(cc4)NCCOCCO2)C(=O)O
COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)C(F)(F)F
COc1cc(\C=C(/C#N)C(=O)Nc2nnc(C)s2)ccc1O
CC(C)(C)c1nnc(s1)NC(=O)/C(=C/c2ccc(c(c2)OC)O)/C#N
COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)Br
Oc1ccc(\C=C(/C#N)C(=O)Nc2nnc(s2)C(F)(F)F)cc1[N+]([O-])=O
Cc1nnc(NC(=O)C(=C\c2ccc(O)c(c2)[N+]([O-])=O)\C#N)s1
c1cc(c(cc1/C=C(\C#N)/C(=O)Nc2nnc(s2)Br)[N+](=O)[O-])O
Oc1ccc(\C=C(/C#N)C(=O)Nc2nnc(Br)s2)cc1Br
COc1cc(\C=C(/C#N)C(=O)Nc2cc(ccc2Cl)C(F)(F)F)ccc1O
COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2ccccc2O
CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cc1
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
Nc1nc(O)c([nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8|
NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1
CC(=O)OCOC(=O)CN(CC(=O)N(CC(=O)OCOC(C)=O)CC(=O)N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)C(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12
c1c[nH]c2c1cc(c(c2)Cl)Br
Brc1ccc2[nH]ncc2c1
c1cc2c(cc1Br)c(c[nH]2)CC#N
c1c2c(cc(c1Br)Cl)[nH]cc2CC#N
Brc1ccc2[nH]nc(CC#N)c2c1
Brc1cc2[nH]cc(CC#N)c2cc1Br
c1c2c(cc(c1Br)Br)[nH]nc2CC#N
c1c2c(cc(c1Br)Cl)[nH]nc2CC#N
CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
ONC(=O)CCn1cc(CCn2nc3c(Br)c(Br)c(Br)c(Br)c3n2)nn1
CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
c1ccc(cc1)CNc2c3c(cncn3)c4ccc(cc4n2)C(=O)O
COc1cccc(CCNc2nc3cc(ccc3c3cncnc23)C(O)=O)c1
OC(=O)c1ccc2c(c1)nc(NCCc1cccc(Cl)c1)c1ncncc21
OC(=O)c1ccc2c(c1)nc(NCCc1cccc(F)c1)c1ncncc21
OC(=O)c1ccc2c(c1)nc(Nc1ccc3ccccc3c1)c1ncncc21
OC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1ncncc21
OC(=O)c1ccc2c(c1)nc(Nc1ccccc1Cl)c1ncncc21
OC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1ncncc21
OC(=O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ncncc21
OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#N)c1ncncc21
OC(=O)c1ccc2c(c1)nc(Nc1ccc3ccccc3c1)c1ccncc21
COc1cccc(CCNc2nc3cc(ccc3c3cnccc23)C(O)=O)c1
OC(=O)c1ccc2c(c1)nc(NCc1ccccc1)c1ncccc21
CCC(=O)Nc1cc(ccc1C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4
NC(=O)Cc1csc(NC(=O)c2n[nH]c3ccccc23)n1
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1
Fc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccc(F)cc2)cc1
CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(Br)c3n2)c1
Cc1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1
CC(=O)Nc1cccc(Nc2nc(Nc3cccc(c3)C(O)=O)n3ncc(C#N)c3n2)c1
N#Cc1cnn2c(Nc3ccccc3)nc(Nc3ccccc3)nc12
COc1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1OC
CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OC(F)F)c3)n3ncc(C#N)c3n2)c1
N#Cc1cnn2c(Nc3ccccc3)nc(nc12)N1CCc2ccccc2C1
CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccccc4)C#N
CC(C)CCNc1nc(Nc2ccccc2)n2ncc(C#N)c2n1
CN(c1ccccc1)c1nc(Nc2ccccc2)n2ncc(C#N)c2n1
CC(=O)Nc1cccc(Nc2nc(Nc3cccc(c3)C(=O)N3CCCC3)n3ncc(C#N)c3n2)c1
Cc1ccc(Nc2nc(NCCc3ccccc3)n3ncc(C#N)c3n2)cc1
N#Cc1cnn2c(Nc3ccccc3)nc(NC3Cc4ccccc4C3)nc12
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4
N#Cc1cnn2c(Nc3ccccc3)nc(Nc3cccnc3)nc12
CCN(CC)C(=O)c1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(cnn23)C#N)c1
CN(C)CCNC(=O)c1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(cnn23)C#N)c1
CC(=O)Nc1cccc(Nc2nc(NC3CCC3)n3ncc(C#N)c3n2)c1
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4ccc(cc4)Cl
N#Cc1cnn2c(NCCc3ccccc3)nc(Nc3cccnc3)nc12
CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(C#N)c3n2)c1
N#Cc1cnn2c(Nc3ccccc3)nc(nc12)N1CCCC1
CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C)c3n2)c1
CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1
c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4
CCN(CC)Cc1ccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(cnn23)C#N)cc1
CCN(CC)c1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(cnn23)C#N)c1
N#Cc1cnn2c(Nc3ccccc3)nc(Nc3ncc[nH]3)nc12
CC(=O)Nc1cccc(Nc2nc(NCCc3ccccc3)n3ncc(C#N)c3n2)c1
CC(=O)Nc1cccc(c1)Nc2nc3c(cnn3c(n2)Nc4ccccc4)C#N
CC(=O)Nc1cccc(Nc2nc(Nc3ccc(CN4CCNCC4)cc3)n3ncc(C#N)c3n2)c1
CCOc1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(cnn23)C#N)c1
N#Cc1cnn2c(NCCc3cnc[nH]3)nc(Nc3ccccc3)nc12
CCc1cnn2c(NC3CC3)nc(Nc3cccc(NC(C)=O)c3)nc12
CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(C)c3n2)c1
N#Cc1cnn2c(Nc3ccccc3)nc(nc12)N1CCN(CC1)c1ccccn1
CN(Cc1ccccc1)c1nc(Nc2ccccc2)n2ncc(C#N)c2n1
N#Cc1cnn2c(Nc3ccccc3)nc(nc12)-n1ccnc1
CC(C)n1c2-c3ccccc3C(=O)c2c2c1C(=O)C(C)CC2=O
NC(=O)c1nc(nc2n(-c3ccccc3)c(=O)[nH]c12)-c1ccc(cc1)C(O)=O
NC(=O)c1nc(nc2n(-c3ccccc3)c(=O)[nH]c12)-c1cccc(c1)C(O)=O
NC(=O)c1nc(nc2n(-c3ccccc3)c(=O)[nH]c12)C(O)=O
NC(=O)c1nc(CC(O)=O)nc2n(-c3ccccc3)c(=O)[nH]c12
NC(=O)c1nc(CCC(O)=O)nc2n(-c3ccccc3)c(=O)[nH]c12
NC(=O)c1nc(\C=C\C(O)=O)nc2n(-c3ccccc3)c(=O)[nH]c12
NC(=O)c1nc(CCCC(O)=O)nc2n(-c3ccccc3)c(=O)[nH]c12
CN(C)c1ccc(cc1)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1cccc(c1)C(O)=O
COc1ccc(cc1)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1cccc(c1)C(O)=O
Cc1ccc(cc1)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1cccc(c1)C(O)=O
COc1cccc(c1)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1cccc(c1)C(O)=O
NC(=O)c1nc(nc2n(-c3ccc(F)cc3)c(=O)[nH]c12)-c1cccc(c1)C(O)=O
NC(=O)c1nc(nc2n(-c3ccc(Cl)cc3)c(=O)[nH]c12)-c1cccc(c1)C(O)=O
NC(=O)c1nc(nc2n(-c3ccc(cc3)C#N)c(=O)[nH]c12)-c1cccc(c1)C(O)=O
NC(=O)c1nc(nc2n(-c3ccc(cc3)[N+]([O-])=O)c(=O)[nH]c12)-c1cccc(c1)C(O)=O
CN(C)c1ccc(cc1)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1ccc(cc1)C(O)=O
Cc1ccc(cc1)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1ccc(cc1)C(O)=O
COc1cccc(c1)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1ccc(cc1)C(O)=O
NC(=O)c1nc(nc2n(-c3ccc(F)cc3)c(=O)[nH]c12)-c1ccc(cc1)C(O)=O
NC(=O)c1nc(nc2n(-c3ccc(Cl)cc3)c(=O)[nH]c12)-c1ccc(cc1)C(O)=O
NC(=O)c1nc(nc2n(-c3ccc(cc3)C#N)c(=O)[nH]c12)-c1ccc(cc1)C(O)=O
NC(=O)c1nc(nc2n(-c3ccc(cc3)[N+]([O-])=O)c(=O)[nH]c12)-c1ccc(cc1)C(O)=O
CCN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1-n1cnnc1
Cc1nn2c(-c3ccccc3)ccnc2c1/C(N)=N/O
Cc1nn2c(-c3ccc(Cl)cc3)ccnc2c1/C(N)=N/O
Cc1nn2c(-c3ccc(Br)cc3)ccnc2c1/C(N)=N/O
Cc1nc(-c2c(C)nn3c(-c4ccccc4)ccnc23)no1
COc1ccc(-c2ccnc3c(-c4noc(C)n4)c(C)nn23)cc1
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
OCCn1nnc2c(Br)c(Br)c(Br)c(Br)c12
C(Cn1c2c(c(c(c(c2Br)Br)Br)Br)nn1)CO
OCCCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1
OP(O)(=O)OCCCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1
CN1CCN(CCCn2nnc3c(Br)c(Br)c(Br)c(Br)c23)CC1
CN1CCN(CCCn2nc3c(Br)c(Br)c(Br)c(Br)c3n2)CC1
OCCCCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1
OCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12
CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1C
OC(=O)CSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
OC(=O)CCSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
OC(=O)CCCSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Cn1c(SCC(O)=O)nc2c(Br)c(Br)c(Br)c(Br)c12
Cn1c(SCCC(O)=O)nc2c(Br)c(Br)c(Br)c(Br)c12
Cn1c(SCCCC(O)=O)nc2c(Br)c(Br)c(Br)c(Br)c12
OC(=O)CCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12
CN(C)c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br
CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1CCCC(O)=O
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
CCN(CC)C1CCN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 |w:5.4|
CN1CC(C1)NC(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
CN1CCN(CC1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
CN(C1CCN(C)CC1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
CCN(CC)CCN(C)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
O=C(N1CCNCC1)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
CCN(CC)C1CN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
CN(C1CCN(C)C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 |w:2.1|
CN(C)CCN(C)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
OC1CN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
CN(C)CCNC(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1
CN(C)C1CCN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 |w:3.2|
c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc4NC5CC5)N2
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)|
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCCOc2c1)-c1ccccn1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
CC(=O)Nc1ccc2[nH]cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
COC(=O)CCn1cc(-c2cc(NC3CC3)n3ncc(C#N)c3n2)c2cc(NC(C)=O)ccc12
CC(=O)Nc1ccc2n(C)cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2n(CCO)cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2n(CCCO)cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2ccn(-c3cc(Nc4ccn(C)n4)n4ncc(C#N)c4n3)c2c1
N#Cc1cnn2c(NC3CC3)cc(nc12)-c1cccs1
CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2ccn(-c3cc(NCCN4CCOCC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2ccn(-c3cc(NCCN4CCCC4)n4ncc(C#N)c4n3)c2c1
CN(C)CCCNc1cc(nc2c(cnn12)C#N)-n1ccc2ccc(NC(C)=O)cc12
CC(=O)Nc1ccc2ccn(-c3cc(NCCCN4CCCC4)n4ncc(C#N)c4n3)c2c1
OCc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CS(=O)(=O)Cc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Nc1cc(nc2c(cnn12)C#N)-c1cccs1
Nc1cc(nc2c(cnn12)C#N)-c1ccccc1
COc1ccc(cc1)-c1cc(N)n2ncc(C#N)c2n1
Nc1cc(nc2c(cnn12)C#N)-c1ccc(F)cc1
COc1ccc(cc1)-c1cc(NC2CC2)n2ncc(C#N)c2n1
COc1ccc(cc1)-c1cc(Nc2ccn(C)n2)n2ncc(C#N)c2n1
COc1ccncc1-c1cc(NC2CC2)n2ncc(C#N)c2n1
CC(=O)Nc1ccc2cnn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2CCN(c2c1)c1cc(NC2CC2)n2ncc(C#N)c2n1
CC(=O)Nc1ccc2OCCN(c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2CCCN(c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1cc2n(ccc2cc1C)-c1cc(NC2CC2)n2ncc(C#N)c2n1
CC(=O)Nc1ccc2ccn(-c3cc(NC4COC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2ccn(-c3cc(NCCCCO)n4ncc(C#N)c4n3)c2c1
OC(=O)c1cc2c(ccc3cc4c5cc(oc5ccc4cc23)C(O)=O)o1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CCCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-]
CC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccccc2)s1
OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccc(F)cc2)s1
OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2cccs2)s1
OC(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccco2)s1
OCC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
COCC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-c1nnc(NC(=O)C2CC2)s1
C\C=C(/C)C(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
COCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)-c1nnc(NC(=O)OCC=C)s1
CCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
CC(C)OC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
CCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
CC(C)COC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
CCCCCCOC(=O)Nc1nnc(s1)-c1ccc(cc1)C(O)=O
c1cc2cnn(c2cc1NC3CCCC3)c4cncc(n4)n5ccc(c5)CC(=O)O
COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=O)O
COc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)C(=O)Nc1cnc(s1)-c1ccc(cc1)C(O)=O
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
CC(=O)N1CCc2ccc(Nc3cc(NC4CC4)n4ncc(C#N)c4n3)cc12
C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCNCC3)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
CC(C)C(CO)NS(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCOCC3)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCC(O)CO)nc12
OCC(O)Cn1nc2c(Br)c(Br)c(Br)c(Br)c2n1
CC[C@H](O)Cn1nc2c(Br)c(Br)c(Br)c(Br)c2n1 |r|
CCC(O)Cn1nc2c(Br)c(Br)c(Br)c(Br)c2n1
C[C@@H](O)CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1 |r|
C[C@H](O)CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1 |r|
CC(O)CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1
C[C@@H](O)Cn1nc2c(Br)c(Br)c(Br)c(Br)c2n1 |r|
C[C@H](O)Cn1nc2c(Br)c(Br)c(Br)c(Br)c2n1 |r|
CC(O)Cn1nc2c(Br)c(Br)c(Br)c(Br)c2n1
COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Brc1c(Br)c(Br)c2n(CC#N)cnc2c1Br
Cc1nc2c(Br)c(Br)c(Br)c(Br)c2n1CC#N
Brc1c(Br)c(Br)c2n(CCC#N)cnc2c1Br
Cc1nc2c(Br)c(Br)c(Br)c(Br)c2n1CCC#N
Brc1c(Br)c(Br)c2n(CCCC#N)cnc2c1Br
Cc1nc2c(Br)c(Br)c(Br)c(Br)c2n1CCCC#N
Brc1c(Br)c(Br)c2n(CCCCC#N)cnc2c1Br
Cc1nc2c(Br)c(Br)c(Br)c(Br)c2n1CCCCC#N
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccn1)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1C#N)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1OC)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1Br)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1F)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccc(Cl)cc1)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1cccc(Cl)c1)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1Cl)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCCc1ccccc1)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1COc1ccccc1)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1Oc1ccccc1)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(C(O)=O)c2ccccc12
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(nn1)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cn1)C(O)=O
COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(nc1)C(O)=O
CS(=O)(=O)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
c12c(c(c(c(c1Br)Br)Br)Br)NC(=S)N2
FC(F)(F)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4
CN(CCN1CCOCC1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
CCN(CC)CCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
CC(=O)Nc1cc(ccc1N(C)CCN(C)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4
CN1CCN(CC1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
CC(=O)Nc1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1
C[C@H](N)CN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O |r|
C[C@@H](N)CN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O |r|
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@@H](N)C1 |r|
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@H](N)C1 |r|
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@@H](N)C1 |r|
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@H](N)C1 |r|
CN(C)[C@@H]1CCCN(C1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O |r|
CN(C)[C@H]1CCN(C1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O |r|
CCN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
CN(C)CCCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1NCCCO
CN(CCN1CC(F)(F)C1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Fc1cccc2[nH]nc(NC(=O)c3ccc4OCCc4c3)c12
Cc1cc2cc(NC(=O)c3n[nH]c4ccccc34)ccc2[nH]1
O=C(Nc1ccc2OCCOc2c1)c1n[nH]c2ccccc12
CCc1nnc(o1)-c1cccc(NC(=O)c2n[nH]c3ccccc23)c1
CS(=O)(=O)Cc1cc(NC(=O)c2n[nH]c3ccccc23)ccc1Cl
Cc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1NS(C)(=O)=O
CS(=O)(=O)c1cccc(NC(=O)c2n[nH]c3ccccc23)c1
CS(=O)(=O)Nc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
O=C(Nc1cccc(NC(=O)c2n[nH]c3ccccc23)c1)C1CC1
NC(=O)Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1
Cc1ccc(NC(=O)c2n[nH]c3ccc(cc23)[N+]([O-])=O)cc1S(N)(=O)=O
[O-][N+](=O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|