Compound Name

SMILES String

Brc1c[nH]c2ccc(Nc3ncnc4ccc(NC(=O)C=C)cc34)cc12

Brc1cc2OCOc2cc1\C=C1\SC(=O)NC1=O

Brc1ccc(NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1

Brc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1

Brc1ccc(cc1)-c1ccc(C=C2SC(=O)NC2=O)o1 |w:11.11|

Brc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCC4)cc3)c2c1 |w:11.11|

Brc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:11.11|

Brc1ccc2NC(=O)\C(=C/c3ccc(cc3)N3CCN(CC3)C=O)c2c1

Brc1ccc2NC(=O)\C(=C/c3ccc(cc3)N3CCOCC3)c2c1

Brc1cccc(c1)-c1ccc(C=C2SC(=O)NC2=O)o1 |w:11.11|

Brc1ccsc1\C=C1/C(=O)Nc2ccccc12

Brc1csc(\C=C2/C(=O)Nc3ccccc23)c1

C(=C/c1nccc(n1)-c1c[nH]c2cnccc12)\c1ccccc1

C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1

C(Cc1ccccc1)Nc1ccnc2oc3ccccc3c12

C(Nc1ccnc2oc3ccccc3c12)c1cccc2ccccc12

C(Nc1ccnc2oc3ccccc3c12)c1ccccc1

C(Nc1ccnc2oc3ccccc3c12)c1cccnc1

C(Nc1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1)c1ccccc1

C1CC1c1cc(Nc2nc(nc3CCCc23)-c2ccccc2)n[nH]1

C1CC1c1cc(Nc2nc(nc3CCCc23)N2CC3CCC2C3)n[nH]1

C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCCCC2)n[nH]1

C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCCCCC2)n[nH]1

C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCCCCCC2)n[nH]1

C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCNCC2)n[nH]1

C1CN(CCO1)c1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1

C1Cc2nc(nc(Nc3cc([nH]n3)-c3ccccc3)c2C1)N1CCCCCC1

CC(=O)C(Nc1c(O)cc(O)c(O)c1CC1CCCC2CCCCC12)C(O)=O

CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(C)n1

CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1

CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c(C)n1

CC(=O)N1CCC(CC1)n1cc(Nc2ncc3CCc4nn(C)c(-c5sccc5C)c4-c3n2)cn1 |(-9.3,1.15,;-8.53,2.48,;-9.3,3.82,;-6.99,2.48,;-6.22,3.82,;-4.68,3.82,;-3.91,2.48,;-4.68,1.15,;-6.22,1.15,;-2.37,2.48,;-1.46,1.24,;0,1.71,;1.34,.94,;2.67,1.71,;2.67,3.25,;4.01,4.02,;5.34,3.25,;6.67,4.02,;8.01,3.25,;8.01,1.71,;9.15,.68,;8.53,-.72,;9.3,-2.06,;6.99,-.56,;5.9,-1.65,;6.38,-3.12,;5.13,-4.02,;3.89,-3.12,;4.36,-1.65,;3.59,-.32,;6.67,.94,;5.34,1.71,;4.01,.94,;0,3.25,;-1.46,3.73,)|

CC(=O)N1CCC(CC1)n1cc(Nc2ncc3CCc4nn(C)c(-c5sccc5Cl)c4-c3n2)cn1 |(-9.3,1.15,;-8.53,2.48,;-9.3,3.82,;-6.99,2.48,;-6.22,3.82,;-4.68,3.82,;-3.91,2.48,;-4.68,1.15,;-6.22,1.15,;-2.37,2.48,;-1.46,1.24,;0,1.71,;1.34,.94,;2.67,1.71,;2.67,3.25,;4.01,4.02,;5.34,3.25,;6.67,4.02,;8.01,3.25,;8.01,1.71,;9.15,.68,;8.53,-.72,;9.3,-2.06,;6.99,-.56,;5.9,-1.65,;6.38,-3.12,;5.13,-4.02,;3.89,-3.12,;4.36,-1.65,;3.59,-.32,;6.67,.94,;5.34,1.71,;4.01,.94,;0,3.25,;-1.46,3.73,)|

CC(=O)N1CCC(CC1)n1cc(Nc2ncc3CCc4nn(C)c(Cc5c(Cl)cccc5Cl)c4-c3n2)cn1

CC(=O)N1CCC(CC1)n1cc(Nc2ncc3CCc4nn(C)c(Cc5cccc(C)c5)c4-c3n2)cn1

CC(=O)N1CCC(CC1)n1cc(Nc2ncc3CCc4nn(C)c(Cc5cccc(Cl)c5)c4-c3n2)cn1

CC(=O)N1CCC(CC1)n1cc(Nc2ncc3CCc4nn(C)c(Cc5cccc(c5)C(F)(F)F)c4-c3n2)cn1

CC(=O)N1CCC(CC1)n1cc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5)c4-c3n2)cn1

CC(=O)N1CCC(CC1)n1cc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5C)c4-c3n2)cn1

CC(=O)N1CCC(CC1)n1cc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(OC(F)F)cc2)cn1

CC(=O)N1CCC(CC1)n1cc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2cccc(C)c2)cn1

CC(=O)N1CCC(CC1)n1cc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2cccc(Cl)c2)cn1

CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C

CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C

CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C

CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C

CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C

CC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

CC(=O)N1CCN(CC1)[C@H]1C[C@@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:9.9,21.22,wD:11.14,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;1.42,-3.96,;2.24,-2.7,;3.54,-3.45,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(O)ccc2F)c2c(N)ncnc12 |r,wU:11.14,9.9,(5.38,-23.19,;6.89,-22.87,;7.92,-24.01,;7.36,-21.4,;6.33,-20.26,;6.8,-18.8,;8.31,-18.48,;9.35,-19.61,;8.87,-21.08,;8.78,-17.01,;8.08,-15.64,;9.45,-14.94,;10.15,-16.31,;9.91,-13.47,;9,-12.23,;9.9,-10.98,;9.42,-9.52,;10.45,-8.37,;9.97,-6.91,;11,-5.76,;8.46,-6.59,;7.43,-7.75,;7.92,-9.21,;6.9,-10.36,;11.37,-11.45,;12.7,-10.67,;12.7,-9.13,;14.04,-11.43,;14.05,-12.98,;12.71,-13.76,;11.37,-12.99,)|

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OCC34CCC(CC3)O4)ccc2F)c2c(N)ncnc12 |r,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;8.5,4.87,;10.02,4.88,;10.78,6.2,;9.99,7.52,;8.47,7.51,;9.19,6.61,;3.38,5.56,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wD:11.14,9.9,21.22,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OCC34CCC(CC3)O4)c2)c2c(N)ncnc12 |r,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.49,;-.08,10.33,;1.29,3.91,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OCC34CCC(CC3)O4)c2F)c2c(N)ncnc12 |r,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.49,;-.08,10.33,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

CC(=O)N1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1

CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F

CC(=O)NC[C@H]1CC[C@@H](CC1)c1nc(-c2cc3ccccc3[nH]2)c2c(N)nccn12 |r,wU:8.11,wD:5.4,(30.4,-52.78,;31.44,-51.63,;32.94,-51.96,;30.97,-50.17,;32,-49.03,;31.53,-47.56,;32.56,-46.41,;32.09,-44.94,;30.58,-44.63,;29.54,-45.77,;30.01,-47.24,;30.1,-43.16,;31.01,-41.9,;30.1,-40.65,;30.58,-39.19,;29.67,-37.94,;30.58,-36.7,;30.27,-35.2,;31.41,-34.17,;32.87,-34.65,;33.19,-36.15,;32.04,-37.18,;32.04,-38.72,;28.62,-41.13,;27.29,-40.37,;27.29,-38.83,;25.96,-41.14,;25.96,-42.68,;27.29,-43.45,;28.63,-42.68,)|

CC(=O)Nc1cc(CN2C(=O)N(C(=O)C2(C)C)c2ccc(SC(F)(F)F)cc2)ccn1

CC(=O)Nc1cccc(COc2cccc(c2)-c2nc(C3CCC3)n3ccnc(N)c23)c1

CC(=O)Oc1ccc(CNc2ccc3OCOc3c2)cc1OC(C)=O

CC(=O)c1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:18.18|

CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r|

CC(=O)c1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:19.19|

CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O

CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C

CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O

CC(C)(C)OC(=O)Nc1cc(CN2C(=O)N(C(=O)C2(C)C)c2ccc(SC(F)(F)F)cc2)ccn1

CC(C)(C)OCCOc1cccc(c1)-c1cn([C@@H]2C[C@H](CN3CCC3)C2)c2ncnc(N)c12 |r,wD:17.17,19.20,(.63,12.98,;.17,11.84,;-1.05,11.67,;-.59,12.81,;1.12,10.63,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.56,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,)|

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

CC(C)(C)c1cc(Nc2nc(nc3CCCc23)N2CCCCC2)n[nH]1

CC(C)(C)c1cc(Nc2nc(nc3CCCc23)N2CCCCCC2)n[nH]1

CC(C)(C)c1cc(Nc2nc(nn3cccc23)N2CCC[C@@]2(C)C(=O)NC2CCCNC2)[nH]n1 |r|

CC(C)(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(c1O)C(C)(C)C

CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1

CC(C)(N)C(=O)N1CCCC(C1)NC(=O)[C@@H]1CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 |r|

CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12

CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12

CC(C)(Oc1cccc(c1)-c1cn([C@@H]2C[C@H](CN3CCC3)C2)c2ncnc(N)c12)[C@@H]1CCCO1 |r,wU:13.13,15.16,29.33,(25.43,-9.87,;25.43,-8.33,;24.1,-9.09,;24.4,-7.2,;22.89,-7.52,;21.86,-6.38,;20.34,-6.72,;19.88,-8.19,;20.92,-9.31,;22.43,-8.99,;20.45,-10.78,;21.37,-12.02,;20.47,-13.27,;20.95,-14.74,;20.26,-16.1,;21.63,-16.8,;22.12,-18.26,;23.63,-18.57,;24.47,-19.85,;25.75,-19.01,;24.91,-17.72,;22.32,-15.42,;19,-12.81,;17.65,-13.58,;16.32,-12.81,;16.32,-11.27,;17.65,-10.5,;17.65,-8.96,;18.99,-11.26,;26.94,-8.01,;28.08,-9.03,;29.41,-8.25,;29.08,-6.75,;27.55,-6.6,)|

CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|

CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|

CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C

CC(C)CC=Nc1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O |r,w:5.5,c:26|

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|

CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|

CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|

CC(C)CCOCCOc1cccc(c1)-c1cn([C@@H]2C[C@H](CN3CCC3)C2)c2ncnc(N)c12 |r,wD:18.18,20.21,(.26,15.63,;-.2,14.48,;-1.42,14.31,;.75,13.27,;.17,11.84,;1.12,10.63,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.55,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,)|

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1

CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|

CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|

CC(C)N1CCC(CC1)N1CCC(CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12

CC(C)N1CCCC(C1)NC(=O)C1C[C@H](O)CN1c1nc(Nc2cn(cn2)C(C)C)c2cccn2n1 |r|

CC(C)N1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:12.16,wD:9.9,(22.26,-53.97,;23.3,-52.84,;24.8,-53.17,;22.84,-51.37,;21.33,-51.04,;20.87,-49.57,;21.9,-48.44,;23.41,-48.76,;23.87,-50.23,;21.43,-46.97,;22.46,-45.83,;21.99,-44.36,;20.48,-44.04,;19.45,-45.18,;19.92,-46.64,;20.01,-42.58,;20.91,-41.34,;20.01,-40.09,;20.78,-38.75,;22.32,-38.76,;23.08,-37.42,;22.31,-36.09,;23.08,-34.75,;24.62,-34.75,;25.52,-33.49,;26.98,-33.96,;28.3,-33.19,;29.63,-33.95,;29.64,-35.49,;28.31,-36.26,;28.31,-37.8,;26.98,-35.49,;25.53,-35.98,;20.76,-36.1,;20,-37.43,;18.54,-40.56,;17.22,-39.8,;17.22,-38.26,;15.88,-40.57,;15.88,-42.11,;17.22,-42.88,;18.55,-42.11,)|

CC(C)N1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:12.16,9.9,(37.42,-54.67,;38.46,-53.54,;39.96,-53.87,;37.99,-52.07,;36.49,-51.74,;36.03,-50.27,;37.06,-49.14,;38.57,-49.46,;39.03,-50.93,;36.59,-47.67,;35.08,-47.34,;34.61,-45.88,;35.64,-44.74,;37.15,-45.06,;37.62,-46.53,;35.16,-43.28,;36.07,-42.04,;35.17,-40.79,;35.93,-39.45,;37.48,-39.46,;38.24,-38.12,;37.47,-36.79,;38.24,-35.45,;39.78,-35.45,;40.68,-34.19,;42.14,-34.66,;43.46,-33.89,;44.79,-34.65,;44.8,-36.19,;43.47,-36.96,;43.47,-38.5,;42.14,-36.19,;40.68,-36.68,;35.92,-36.8,;35.16,-38.13,;33.7,-41.26,;32.38,-40.5,;32.37,-38.96,;31.04,-41.27,;31.04,-42.81,;32.38,-43.58,;33.7,-42.81,)|

CC(C)NC[C@H]1C[C@H](C1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12 |wU:7.9,5.4,(15.38,-7.53,;13.87,-7.21,;13.4,-5.74,;12.84,-8.35,;11.34,-8.03,;10.86,-6.57,;9.49,-5.87,;10.19,-4.51,;11.56,-5.2,;9.71,-3.04,;10.62,-1.79,;9.71,-.53,;10.18,.93,;9.15,2.07,;9.62,3.53,;11.13,3.86,;12.16,2.71,;13.67,3.03,;14.7,1.89,;16.21,2.21,;17.23,1.06,;18.73,1.38,;19.21,2.85,;18.17,4,;16.67,3.67,;11.69,1.25,;8.23,-1.01,;6.89,-.25,;6.88,1.29,;5.57,-1.02,;5.56,-2.56,;6.9,-3.33,;8.23,-2.56,)|

CC(C)Nc1cc(CN2C(=O)N(C(=O)C2(C)C)c2ccc(SC(F)(F)F)cc2)ccn1

CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1

CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1

CC(C)Nc1nc(nc2ccc(C=CC(C)(C)O)cc12)-c1ccco1

CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1

CC(C)OCCOc1cccc(c1)-c1cn([C@@H]2C[C@H](CN3CCC3)C2)c2ncnc(N)c12 |r,wD:16.16,18.19,(.63,12.98,;.17,11.84,;-1.05,11.67,;1.12,10.63,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.56,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,)|

CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1

CC(C)Oc1cc(C2CCN(CCC(=O)NCCOCCNC(=O)C=C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1

CC(C)Oc1cc(nc2c(F)c(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:18.19,20.24,(26.9,-37.09,;28.24,-37.86,;29.57,-37.09,;28.24,-39.4,;29.57,-40.17,;30.9,-39.4,;32.24,-40.16,;32.24,-41.71,;30.9,-42.49,;30.91,-44.02,;32.25,-44.79,;29.58,-44.8,;28.24,-44.03,;28.24,-42.49,;29.57,-41.71,;29.59,-46.34,;30.84,-47.24,;30.38,-48.71,;31.29,-49.95,;31.05,-51.47,;32.57,-51.7,;32.81,-50.18,;33.48,-52.94,;32.86,-54.35,;33.76,-55.59,;35.3,-55.43,;36.2,-56.67,;35.92,-54.02,;35.01,-52.76,;28.83,-48.71,;27.81,-49.86,;26.31,-49.53,;25.83,-48.07,;26.86,-46.93,;26.39,-45.47,;28.36,-47.25,;33.56,-39.39,;34.9,-40.16,;36.23,-39.38,;36.23,-37.84,;34.88,-37.08,;33.56,-37.85,)|

CC(C)Oc1cc(nc2c(F)c(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:20.23,18.19,wD:20.22,(3.2,-17.1,;1.87,-17.87,;.53,-17.1,;1.87,-19.41,;3.21,-20.18,;4.54,-19.41,;5.87,-20.17,;5.88,-21.73,;4.54,-22.5,;4.54,-24.03,;5.88,-24.8,;3.22,-24.81,;1.87,-24.04,;1.87,-22.5,;3.2,-21.73,;3.23,-26.35,;4.48,-27.25,;4.01,-28.72,;4.92,-29.96,;6.44,-30.19,;6.21,-31.71,;7.69,-32.11,;6.61,-33.2,;4.69,-31.48,;2.47,-28.73,;1.45,-29.87,;-.07,-29.55,;-.54,-28.09,;.5,-26.95,;.02,-25.48,;1.99,-27.26,;7.2,-19.4,;8.54,-20.17,;9.87,-19.39,;9.86,-17.85,;8.52,-17.09,;7.19,-17.87,)|

CC(C)Oc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.18,19.23,(44.8,-17.77,;46.14,-18.54,;47.47,-17.77,;46.14,-20.08,;47.47,-20.85,;48.8,-20.08,;50.14,-20.84,;50.14,-22.39,;48.81,-23.17,;48.81,-24.7,;47.48,-25.48,;46.14,-24.71,;46.14,-23.17,;47.47,-22.39,;47.49,-27.02,;48.74,-27.92,;48.28,-29.39,;49.19,-30.63,;48.95,-32.15,;50.47,-32.38,;50.71,-30.86,;51.38,-33.62,;50.76,-35.03,;51.66,-36.27,;53.2,-36.11,;54.1,-37.35,;53.82,-34.7,;52.91,-33.45,;46.73,-29.39,;45.71,-30.54,;44.21,-30.21,;43.73,-28.75,;44.76,-27.61,;44.29,-26.15,;46.26,-27.93,;51.46,-20.07,;52.8,-20.84,;54.13,-20.06,;54.13,-18.52,;52.78,-17.75,;51.46,-18.53,)|

CC(C)Oc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:19.22,17.18,wD:19.21,(26.66,-.05,;25.33,-.82,;23.99,-.05,;25.33,-2.36,;26.66,-3.13,;27.99,-2.36,;29.33,-3.12,;29.34,-4.68,;28,-5.45,;28,-6.98,;26.68,-7.76,;25.33,-6.99,;25.33,-5.45,;26.66,-4.68,;26.69,-9.3,;27.94,-10.2,;27.47,-11.67,;28.38,-12.91,;29.9,-13.14,;29.66,-14.66,;31.15,-15.06,;30.06,-16.15,;28.15,-14.43,;25.93,-11.68,;24.91,-12.82,;23.4,-12.5,;22.93,-11.04,;23.96,-9.9,;23.48,-8.43,;25.45,-10.21,;30.66,-2.35,;32,-3.12,;33.33,-2.34,;33.32,-.8,;31.98,-.04,;30.65,-.81,)|

CC(C)c1c-2c(CC(C)c3cnc(Nc4ccccc4)nc-23)nn1C

CC(C)c1c-2c(CCc3cnc(Nc4ccccc4)nc-23)nn1-c1cccnc1

CC(C)c1cc(Nc2nc(NCc3cccnc3)ncc2Br)[nH]n1

CC(C)c1cc(\C=C2/C(=O)Nc3ccc(Cl)cc23)cc(C(C)C)c1O

CC(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(C(C)C)c1O

CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1

CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12

CC(C)n1cc(C(=O)Nc2cc(F)c(cc2F)-c2c[nH]c3ncnc(N)c23)c(=O)c(c1)-c1ccc(F)cc1

CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O

CC(C)n1ccc(Nc2ncc3C(C)Cc4nn(C)c(c4-c3n2)-c2ccccc2Cl)n1 |(-6.99,3.15,;-6.22,1.82,;-6.99,.48,;-4.68,1.82,;-3.77,3.06,;-2.31,2.59,;-2.31,1.05,;-.97,.28,;.36,1.05,;.36,2.59,;1.7,3.36,;3.03,2.59,;4.36,3.36,;4.36,4.9,;5.7,2.59,;5.7,1.05,;6.84,.02,;6.22,-1.39,;6.99,-2.73,;4.68,-1.23,;4.36,.28,;3.03,1.05,;1.7,.28,;3.59,-2.32,;2.11,-1.92,;1.02,-3.01,;1.42,-4.5,;2.9,-4.9,;3.99,-3.81,;5.48,-4.21,;-3.77,.57,)|

CC(C)n1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5)c4-c3n2)n1

CC(C)n1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5Cl)c4-c3n2)n1

CC(C)n1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1

CC(C)n1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1Cl

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

CC(C)n1nccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl |(-6.32,-.55,;-4.83,-.15,;-3.74,-1.24,;-4.43,1.34,;-5.34,2.59,;-4.43,3.83,;-2.97,3.36,;-2.97,1.82,;-1.64,1.05,;-.3,1.82,;-.3,3.36,;1.03,4.13,;2.37,3.36,;3.7,4.13,;5.03,3.36,;5.03,1.82,;6.18,.79,;5.55,-.62,;6.32,-1.96,;4.02,-.46,;3.7,1.05,;2.37,1.82,;1.03,1.05,;2.93,-1.55,;1.44,-1.15,;.35,-2.24,;.75,-3.73,;2.24,-4.13,;3.33,-3.04,;4.82,-3.44,)|

CC(CNc1cc[nH]c(=O)c1-c1nc2cc(cc(C)c2[nH]1)-n1ccnc1)c1cccc(Br)c1

CC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F

CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl

CC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1

CC(NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1

CC(NC(=S)\C=C\c1ccc(O)c(O)c1Br)c1cc(O)c(O)c(O)c1

CC(O)C(Nc1cc(O)c(NC(C(C)=O)C(O)=O)cc1O)C(O)=O

CC(Oc1cccc(c1)-c1cn([C@@H]2C[C@H](CN3CCC3)C2)c2ncnc(N)c12)c1ccccc1 |r,wD:12.12,14.15,(2.71,8.15,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.55,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;.54,9.2,;1.12,10.63,;.17,11.84,;-1.36,11.62,;-1.93,10.19,;-.98,8.98,)|

CC(c1c-2c(CCc3cnc(Nc4ccccc4)nc-23)nn1C)c1ccccc1

CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1

CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|

CC1(C)CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1

CC1(C)CC[C@@H](COc2cccc(c2)-c2cn([C@@H]3C[C@H](CN4CCC4)C3)c3ncnc(N)c23)O1 |r,wU:5.5,wD:17.17,19.20,(-1.8,11.77,;-1.51,10.57,;-2.39,9.7,;-.3,11.52,;.98,10.66,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.56,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;-.98,9.12,)|

CC1(C)CC[C@H](COc2cccc(c2)-c2cn([C@@H]3C[C@H](CN4CCC4)C3)c3ncnc(N)c23)O1 |r,wD:17.17,19.20,5.5,(-1.8,11.77,;-1.51,10.57,;-2.39,9.7,;-.3,11.52,;.98,10.66,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.56,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;-.98,9.12,)|

CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12

CC1(C)N(Cc2ccnc(Cl)c2)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc(F)c2)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc(N)c2)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc(NC3CCCCC3)c2)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc(NCc3ccccc3)c2)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc(NS(C)(=O)=O)c2)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc(Nc3ccccc3)c2)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc(c2)C#N)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc(c2)C(N)=O)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc(c2)C(O)=O)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc(c2)N2CCCCC2)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc(c2)N2CCNCC2)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc(c2)N2CCOCC2)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)N(Cc2ccnc3ccccc23)C(=O)N(C1=O)c1ccc(cc1)S(=O)(=O)C(F)(F)F

CC1(C)N(Cc2ccncc2)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1

CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12

CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N

CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N

CC1(CC1)c1cc(Nc2nc(nn3cccc23)N2C[C@@H](O)C[C@H]2C(=O)Nc2cnccn2)[nH]n1 |r|

CC1(CC1)c1cc(Nc2nc(nn3cccc23)N2C[C@@H](O)C[C@H]2C(=O)Nc2ncns2)[nH]n1 |r|

CC1(CC1)c1cc(Nc2nc(nn3cccc23)N2C[C@H](F)C[C@H]2C(=O)Nc2ncns2)[nH]n1 |r|

CC12CCC(COc3cccc(c3)-c3cn([C@@H]4C[C@H](CO)C4)c4ncnc(N)c34)(CC1)O2 |r,wD:16.16,18.19,(.1,11.39,;.34,10.18,;-.59,8.36,;-.43,7.48,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.55,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.28,-6.6,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.22,9.74,;2.09,10.51,;-.91,11.09,)|

CC1=C(CC(O)=O)c2cc(Cl)ccc2\C1=C/c1ccoc1 |c:1|

CC1=C(CC(O)=O)c2ccc(Br)cc2\C1=C/c1ccoc1 |c:1|

CC1=C(CC(O)=O)c2ccc(Br)cc2\C1=C/c1ccsc1 |c:1|

CC1=C(CC(O)=O)c2ccc(Br)cc2\C1=C\c1ccsc1 |c:1|

CC1CCN(CC1)c1nc2C3CCC(C3)c2c(Nc2cc([nH]n2)C2CC2)n1 |THB:16:15:11.12:14|

CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)-c2ccccc2)n1

CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C(C)(C)C)n1

CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1

CC1CCN(CC1)c1nc2c(CCC2(C)C)c(Nc2cc([nH]n2)C2CC2)n1

CC1CCN(CC1)c1nc2c(CCC2(F)F)c(Nc2cc([nH]n2)C2CC2)n1

CC1CCN(CC1)c1nc2c(CCC22CCCC2)c(Nc2cc([nH]n2)C2CC2)n1

CC1CN(CC(C)N1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(Nc4cccc(c4)C(C)=O)cc23)cc1 |w:13.13|

CC1CN(CC(C)N1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1 |w:13.13|

CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

CC1CNC(=N1)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4|

CC1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(c3)C3CCN(CC3)C3CCN(CC3)C(C)=O)ncc12

CC1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(c3)C3CCN(CC3)C3CCOCC3)ncc12

CC1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(c3)C3CCN(CCO)CC3)ncc12

CC1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(c3)C3CCNCC3)ncc12

CC1Cc2nn(C)c(c2-c2nc(NC3=[N](C)NC(C)=C3)ncc12)-c1ccccc1Cl |c:14,19,(3.98,4.9,;3.98,3.36,;5.31,2.59,;5.31,1.05,;6.46,.02,;5.83,-1.39,;6.6,-2.73,;4.3,-1.23,;3.98,.28,;2.64,1.05,;1.31,.28,;-.02,1.05,;-1.36,.28,;-2.69,1.05,;-2.69,2.59,;-1.36,3.36,;-4.15,3.06,;-5.06,1.82,;-6.6,1.82,;-4.15,.57,;-.02,2.59,;1.31,3.36,;2.64,2.59,;3.21,-2.32,;1.72,-1.92,;.63,-3.01,;1.03,-4.5,;2.52,-4.9,;3.61,-3.81,;5.1,-4.21,)|

CC1Cc2nn(C)c(c2-c2nc(Nc3cc(C)n(C)n3)ncc12)-c1ccccc1Cl |(3.98,4.9,;3.98,3.36,;5.31,2.59,;5.31,1.05,;6.46,.02,;5.83,-1.39,;6.6,-2.73,;4.3,-1.23,;3.98,.28,;2.64,1.05,;1.31,.28,;-.02,1.05,;-1.36,.28,;-2.69,1.05,;-4.15,.57,;-5.06,1.82,;-6.6,1.82,;-4.15,3.06,;-4.92,4.4,;-2.69,2.59,;-.02,2.59,;1.31,3.36,;2.64,2.59,;3.21,-2.32,;1.72,-1.92,;.63,-3.01,;1.03,-4.5,;2.52,-4.9,;3.61,-3.81,;5.1,-4.21,)|

CC1Cc2nn(C)c(c2-c2nc(Nc3ccccc3)ncc12)-c1ccccc1Cl |(3.36,4.9,;3.36,3.36,;4.69,2.59,;4.69,1.05,;5.84,.02,;5.21,-1.39,;5.98,-2.73,;3.68,-1.23,;3.36,.28,;2.02,1.05,;.69,.28,;-.64,1.05,;-1.98,.28,;-3.31,1.05,;-3.31,2.59,;-4.65,3.36,;-5.98,2.59,;-5.98,1.05,;-4.65,.28,;-.64,2.59,;.69,3.36,;2.02,2.59,;2.59,-2.32,;1.1,-1.92,;.01,-3.01,;.41,-4.5,;1.9,-4.9,;2.99,-3.81,;4.47,-4.21,)|

CC1Cc2nn(C)c(c2-c2nc(Nc3ccn(C)n3)ncc12)-c1ccccc1Cl |(3.21,4.9,;3.21,3.36,;4.54,2.59,;4.54,1.05,;5.69,.02,;5.06,-1.39,;5.83,-2.73,;3.53,-1.23,;3.21,.28,;1.87,1.05,;.54,.28,;-.79,1.05,;-2.13,.28,;-3.46,1.05,;-4.92,.57,;-5.83,1.82,;-4.92,3.06,;-5.69,4.4,;-3.46,2.59,;-.79,2.59,;.54,3.36,;1.87,2.59,;2.44,-2.32,;.95,-1.92,;-.14,-3.01,;.26,-4.5,;1.75,-4.9,;2.84,-3.81,;4.33,-4.21,)|

CC1Cc2nn(C)c(c2-c2nc(Nc3ccn(CC(=O)N(C)C)n3)ncc12)-c1ccccc1

CC1Cc2nn(C)c(c2-c2nc(Nc3ccn(CCN(C)C)n3)ncc12)-c1ccccc1

CC1Cc2nn(C)c(c2-c2nc(Nc3cnn(c3)C3CCN(CC3)C(C)=O)ncc12)-c1ccccc1

CCC(=O)c1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(cc4)N4CCN(C)CC4)c3c2)c1 |w:20.20|

CCC(C)COc1ccccc1\C=C1\SC(=O)NC1=O

CCC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F

CCC(c1c-2c(CCc3cnc(Nc4ccc(OCCN5CCCC5)cc4OC)nc-23)nn1C)c1ccccc1

CCC(c1c-2c(CCc3cnc(Nc4ccc(cc4OC)C(=O)NC4CCN(C)CC4)nc-23)nn1C)c1ccccc1

CCC(c1c-2c(CCc3cnc(Nc4ccc(cc4OC)N4CCN(C)CC4)nc-23)nn1C)c1ccccc1

CCC1CCCCN1CCCOc1cc2ncc(C#N)c(Nc3ccc(Sc4nc(C)c(C)n4CC)c(Cl)c3)c2cc1OC

CCCCOc1ccc(\C=C2/SC(=O)NC2=O)cc1

CCCN1CCC(CC1)Oc1cc(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c(OC)cc1Cl

CCCN1CCC(CC1)Oc1ccc(OC)c(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c1

CCCN1CCC(CC1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1

CCCN1CCC(CC1)c1ccc(Nc2nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n2)c(OC)c1

CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC(C)C)c1 |c:6|

CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1 |c:6|

CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(C)c1 |c:6|

CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(F)c1 |c:6|

CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1 |c:6|

CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(c1)C(F)(F)F |c:6|

CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)cc1 |c:6|

CCCN1CCCC(C1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1

CCCN1CCN(CC1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1

CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1

CCCOCCOc1cccc(c1)-c1cn([C@@H]2C[C@H](CN3CCC3)C2)c2ncnc(N)c12 |r,wD:16.16,18.19,(-.01,14.24,;.75,13.27,;.17,11.84,;1.12,10.63,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.55,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,)|

CCCOc1c(Br)cc(\C=C2/SC(=O)NC2=O)cc1OCC

CCCOc1ccc(cc1Cl)C(O)CNc1cc[nH]c(=O)c1-c1nc2cc(cc(C)c2[nH]1)-n1ccnc1

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

CCCc1c-2c(CCc3cnc(Nc4ccc(cc4OC)C(=O)NC4CCN(C)CC4)nc-23)nn1C

CCCc1c-2c(CCc3cnc(Nc4ccccc4)nc-23)nn1C

CCCc1cc(Nc2nc(NCc3cc(C)no3)ncc2Br)[nH]n1

CCCc1cc(Nc2nc(NCc3cccnc3)ncc2Br)[nH]n1

CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1

CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)CC1

CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCCC(O)C1

CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCNCC1

CCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1

CCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1

CCCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN(C)C)c(OC)cc23)C#N)cc1Cl

CCCn1nc2CCc3cnc(Nc4ccc(OCCN5CCCC5)cc4OC)nc3-c2c1C(C)C

CCCn1nc2CCc3cnc(Nc4ccc(cc4OC)C(=O)NC4CCN(C)CC4)nc3-c2c1C(C)C

CCN(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12

CCN(C)Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C

CCN(CC)C(=O)C1CCCN(C1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1

CCN(CC)C(=O)c1[nH]c(C=O)c(C(=O)N(CC)CC)c1C

CCN(CC)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12

CCN(CC)CCCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

CCN(CC)CCOc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1

CCN(CC)C[C@H]1CC[C@@H](CC1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12 |wU:6.5,wD:9.12,(.11,-7.88,;-1.4,-7.56,;-2.43,-8.7,;-1.96,-10.17,;-.45,-10.49,;-3.94,-8.38,;-4.41,-6.91,;-5.91,-6.58,;-6.38,-5.12,;-5.35,-3.98,;-3.84,-4.29,;-3.37,-5.77,;-5.83,-2.51,;-4.92,-1.25,;-5.83,0,;-5.35,1.47,;-6.39,2.6,;-5.92,4.06,;-4.41,4.39,;-3.37,3.24,;-1.87,3.56,;-.84,2.42,;.67,2.74,;1.69,1.59,;3.2,1.91,;3.67,3.38,;2.63,4.53,;1.13,4.2,;-3.85,1.78,;-7.3,-.48,;-8.65,.28,;-8.65,1.82,;-9.97,-.49,;-9.97,-2.03,;-8.64,-2.8,;-7.3,-2.03,)|

CCN(CC)Cc1ccc(NC=C2C(=O)NC(=O)c3ccc(Nc4ccc(C)cc4)cc23)cc1 |w:11.10|

CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1

CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1

CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO

CCN(Cc1cc(cc2nc([nH]c12)-c1ccc[nH]c1=O)-n1ccnc1)c1ncc[nH]1

CCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3C(C)Cc4nn(C)c(c4-c3n2)-c2ccccc2Cl)c(OC)c1 |(-10.65,4.51,;-9.31,5.28,;-7.98,4.51,;-6.65,5.28,;-5.31,4.51,;-5.31,2.97,;-6.65,2.2,;-7.98,2.97,;-3.98,2.2,;-2.64,2.97,;-2.64,4.51,;-1.31,2.2,;.02,2.97,;1.36,2.2,;1.36,.66,;2.69,-.11,;4.02,.66,;4.02,2.2,;5.36,2.97,;6.69,2.2,;8.02,2.97,;8.02,4.51,;9.36,2.2,;9.36,.66,;10.5,-.37,;9.88,-1.78,;10.65,-3.11,;8.35,-1.62,;8.02,-.11,;6.69,.66,;5.36,-.11,;7.26,-2.7,;5.77,-2.31,;4.68,-3.39,;5.08,-4.88,;6.57,-5.28,;7.65,-4.19,;9.14,-4.59,;.02,-.11,;.02,-1.65,;1.36,-2.42,;-1.31,.66,)|

CCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2)c(OC)c1

CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1

CCN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1

CCN1CCN(CC1)c1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(Cl)c5)c4-c3n2)c(OC)c1

CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)cc1

CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1

CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1

CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c3cc2OC)CC1

CCN1CCN(CCCOc2cc3nccc(Oc4c(F)cc(NC(=O)NN5C(SCC5=O)c5c(F)cccc5F)cc4F)c3cc2OC)CC1

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|

CCNC(=O)N1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1

CCNc1cc(CN2C(=O)N(C(=O)C2(C)C)c2ccc(SC(F)(F)F)cc2)ccn1

CCOC(=O)C1CCCN(C1)c1nc2CCCc2c(Nc2cc(C)[nH]n2)n1

CCOC(=O)C1CCCN(C1)c1nc2CCCc2c(Nc2cc([nH]n2)C(C)(C)C)n1

CCOC(=O)C1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1

CCOC(=O)C1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1

CCOC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4OC)[nH]c3c2)c2c(N)ncnc12 |r,wU:11.11,wD:14.18,(3.22,-10.25,;4.55,-9.48,;4.55,-7.94,;5.22,-6.55,;6.75,-6.43,;4.35,-5.28,;2.81,-5.4,;1.94,-4.13,;2.6,-2.74,;4.14,-2.62,;5.01,-3.89,;1.83,-1.41,;.29,-1.34,;-.41,.03,;.42,1.33,;1.96,1.26,;2.66,-.11,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;6.16,9.3,;7.49,8.53,;8.83,9.3,;8.83,10.84,;7.49,11.61,;7.49,13.15,;8.83,13.92,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;-3.15,5.45,;-3.15,6.99,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,)|

CCOC(=O)N1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1C

CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1CC

CCOC(=O)c1[nH]c(CO)c(C(=O)OCC)c1C

CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C

CCOC(=O)c1c(CC)c(C(=O)OC(C)(C)C)n(C)c1C=O

CCOC(=O)c1c(CC)c([nH]c1C=O)C(=O)NC(C)(C)C

CCOC(=O)c1c(CC)c([nH]c1C=O)C(=O)OC(C)(C)C

CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34

CCOC(=O)c1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C

CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc([nH]n3)C3CC3)c3cccn3n2)cc1 |r|

CCOC(=O)c1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:20.20|

CCOC(=O)c1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1

CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1

CCOCCOc1cccc(c1)-c1cn([C@@H]2C[C@H](CN3CCC3)C2)c2ncnc(N)c12 |r,wD:15.15,17.18,(.63,12.98,;.17,11.84,;1.12,10.63,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.56,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,)|

CCOc1cc(Br)cc(\C=C2/SC(=O)NC2=O)c1O

CCOc1cc(CN2C(=O)N(C(=O)C2(C)C)c2ccc(SC(F)(F)F)cc2)ccn1

CCOc1cc(\C=C2/SC(=O)NC2=O)c(Br)cc1OC

CCOc1cc(\C=C2\SC(=O)NC2=O)cc(Br)c1O

CCOc1cc(\C=C2\SC(=O)NC2=O)cc(Cl)c1OCC

CCOc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(C(C)c4ccccc4)c3-c2n1)C(O)=O

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1)C(=O)NC1CCN(C)CC1

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1)C(=O)NC1CCN(CC1)C1CC1

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1)C(=O)NC1CN(C)C1

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1)N1CCN(C)CC1

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1)N1CCN(CC1)C(=O)N(C)C

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1)N1CCN(CC1)C(C)=O

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1)N1CCN(CC1)C(C)C

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1)N1CCN(CC1)C1CCOCC1

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1)N1CCN(CC1)S(C)(=O)=O

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1)N1CCNCC1

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NC1CCN(C)CC1

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NC1CCN(CC1)C1CC1

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NC1CCN(CC1)C1CCOCC1

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NC1CN(C)C1

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)N[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:33.37,wD:36.44,(-.64,-5.11,;-.64,-3.57,;.69,-2.8,;.69,-1.26,;-.64,-.49,;-.64,1.05,;.69,1.82,;2.02,1.05,;2.02,-.49,;3.36,-1.26,;4.69,-.49,;4.69,1.05,;6.02,1.82,;7.36,1.05,;8.69,1.82,;10.03,1.05,;10.03,-.49,;11.17,-1.52,;10.54,-2.93,;11.31,-4.27,;9.01,-2.77,;8.69,-1.26,;7.36,-.49,;6.02,-1.26,;7.92,-3.86,;6.44,-3.46,;5.35,-4.55,;5.75,-6.04,;7.23,-6.44,;8.32,-5.35,;-1.98,1.82,;-1.98,3.36,;-3.31,1.05,;-4.65,1.82,;-5.98,1.05,;-7.31,1.82,;-7.31,3.36,;-5.98,4.13,;-4.65,3.36,;-8.65,4.13,;-8.65,5.67,;-9.98,6.44,;-11.31,5.67,;-11.31,4.13,;-9.98,3.36,)|

CCOc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(O)=O

CCOc1cc(nc2c(F)c(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.18,19.23,(16.88,-36.18,;15.55,-36.95,;15.55,-38.49,;16.88,-39.26,;18.21,-38.49,;19.55,-39.25,;19.56,-40.81,;18.22,-41.58,;18.22,-43.11,;19.56,-43.88,;16.9,-43.89,;15.55,-43.12,;15.55,-41.58,;16.88,-40.81,;16.91,-45.43,;18.16,-46.33,;17.69,-47.8,;18.6,-49.04,;18.37,-50.56,;19.88,-50.79,;20.12,-49.27,;20.79,-52.03,;20.17,-53.44,;21.08,-54.68,;22.61,-54.52,;23.52,-55.77,;23.23,-53.11,;22.33,-51.86,;16.15,-47.81,;15.13,-48.95,;13.62,-48.63,;13.15,-47.17,;14.18,-46.03,;13.7,-44.56,;15.67,-46.34,;20.88,-38.48,;22.21,-39.25,;23.55,-38.48,;23.54,-36.93,;22.19,-36.17,;20.87,-36.95,)|

CCOc1cc(nc2c(F)c(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:19.22,17.18,wD:19.21,(23.32,-.37,;24.65,-1.14,;24.65,-2.69,;25.99,-3.46,;27.32,-2.69,;28.65,-3.45,;28.66,-5,;27.32,-5.77,;27.32,-7.31,;28.66,-8.07,;26,-8.08,;24.65,-7.32,;24.65,-5.77,;25.98,-5,;26.01,-9.63,;27.26,-10.53,;26.79,-11.99,;27.7,-13.24,;29.23,-13.47,;28.99,-14.99,;30.47,-15.38,;29.39,-16.47,;27.47,-14.76,;25.25,-12,;24.23,-13.15,;22.72,-12.82,;22.25,-11.36,;23.28,-10.22,;22.8,-8.76,;24.77,-10.54,;29.98,-2.68,;31.32,-3.45,;32.65,-2.67,;32.64,-1.13,;31.3,-.36,;29.97,-1.14,)|

CCOc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:16.17,18.22,(33.34,-17.94,;32.01,-18.71,;32.01,-20.25,;33.34,-21.02,;34.67,-20.25,;36.01,-21.01,;36.01,-22.57,;34.68,-23.34,;34.68,-24.87,;33.35,-25.65,;32.01,-24.88,;32.01,-23.34,;33.34,-22.57,;33.36,-27.19,;34.62,-28.09,;34.15,-29.56,;35.06,-30.8,;34.82,-32.32,;36.34,-32.55,;36.58,-31.03,;37.25,-33.79,;36.63,-35.2,;37.54,-36.44,;39.07,-36.28,;39.98,-37.53,;39.69,-34.87,;38.79,-33.62,;32.61,-29.57,;31.59,-30.71,;30.08,-30.39,;29.6,-28.93,;30.64,-27.79,;30.16,-26.32,;32.13,-28.1,;37.34,-20.24,;38.67,-21.01,;40.01,-20.24,;40,-18.69,;38.65,-17.93,;37.33,-18.71,)|

CCOc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:18.21,16.17,wD:18.20,(12.1,-.5,;13.44,-1.27,;13.44,-2.81,;14.77,-3.58,;16.1,-2.81,;17.44,-3.57,;17.45,-5.13,;16.11,-5.9,;16.11,-7.43,;14.79,-8.21,;13.44,-7.44,;13.44,-5.9,;14.77,-5.13,;14.8,-9.75,;16.05,-10.65,;15.58,-12.12,;16.49,-13.36,;18.01,-13.59,;17.77,-15.11,;19.26,-15.51,;18.17,-16.6,;16.26,-14.88,;14.04,-12.13,;13.02,-13.27,;11.51,-12.95,;11.04,-11.49,;12.07,-10.35,;11.59,-8.88,;13.56,-10.67,;18.77,-2.8,;20.11,-3.57,;21.44,-2.8,;21.43,-1.25,;20.09,-.49,;18.76,-1.27,)|

CCOc1cc2OCOc2cc1\C=C1/SC(=O)NC1=O

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)cc3)c2cc1NC(=O)\C=C\c1cccnc1

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1OCC(C)C

CCOc1ccc(\C=C2\SC(=O)NC2=O)cc1OC

CCOc1ccc(\C=C2\SC(=O)NC2=O)cc1OCC(=O)OC

CCOc1cccc(\C=C2\SC(=O)NC2=O)c1O

CCOc1ccccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1

CCOc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O

CCP(=O)(CC)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)ncc1Cl

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

CC[C@H](O)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1 |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

CCc1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C

CCc1c(C)c(C)[nH]c1\C=C1/C(=O)Nc2ccccc12

CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12

CCc1c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cnn1C1CCN(CC1)C(C)=O

CCc1c-2c(CCc3cnc(Nc4cc(Cl)c(cc4OC)C(=O)NC4CCN(C)CC4)nc-23)nn1C

CCc1cc(CN2C(=O)N(C(=O)C2(C)C)c2ccc(SC(F)(F)F)cc2)ccn1

CCc1cc(Nc2nc(NCCc3ccccc3)nc3cccc(OC)c23)n[nH]1

CCc1cc(Nc2nc(NCc3cc(no3)-c3ccccn3)ncc2Br)[nH]n1

CCc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3cccc(C)c23)n[nH]1

CCc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3cccc(OC)c23)n[nH]1

CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(C)c23)n[nH]1

CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1

CCc1cc(Nc2nc(NCc3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1

CCc1cc(Nc2nc(NCc3ccccn3)ncc2Br)[nH]n1

CCc1cc(Nc2nc(N[C@@H](C)c3ccc(Cl)cn3)nc3cccc(OC)c23)n[nH]1 |r|

CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(C)c23)n[nH]1 |r|

CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |r|

CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1

CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1

CCc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OC

CCc1ccc(C=C2SC(O)=NC2=O)cc1 |w:6.5,c:10|

CCc1ccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc1 |r|

CCc1ccc(\C=C2/C(=O)Nc3ccccc23)s1

CCc1ccc(\C=C2\C(=O)Nc3ccccc23)o1

CCc1ccc(cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1)C(C)NC(=O)c1cccc(c1)C(F)(F)F

CCc1cccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)c1 |r|

CCc1ccccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1

CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O

CCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1

CCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN(C)C)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN(CCO)CCO)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN4CCN(C)CC4)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN4CCOCC4)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCc4ccccc4)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(C)C)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(C)CC(O)CO)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(C)CCC4OCCO4)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(C)CCO)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(CCO)C(C)(C)C)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCC(O)C4)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCC(O)CC4)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCCC4)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCN(CC4)C(C)=O)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCN(CCO)CC4)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCN(CCOC(N)=O)CC4)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCNS(=O)(=O)c4ccccc4)c(OC)cc23)C#N)cc1Cl

CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCNS(C)(=O)=O)c(OC)cc23)C#N)cc1Cl

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12

CCn1ccc(Nc2ncc3C(C)Cc4nn(C)c(c4-c3n2)-c2ccccc2)n1

CCn1ccc(Nc2ncc3CCc4nn(C)c(-c5sccc5C)c4-c3n2)n1 |(-6.53,4.54,;-4.99,4.54,;-4.22,3.21,;-5.13,1.96,;-4.22,.72,;-2.76,1.19,;-1.42,.42,;-.09,1.19,;-.09,2.73,;1.24,3.5,;2.58,2.73,;3.91,3.5,;5.24,2.73,;5.24,1.19,;6.39,.16,;5.76,-1.24,;6.53,-2.58,;4.23,-1.08,;3.14,-2.17,;3.62,-3.64,;2.37,-4.54,;1.13,-3.64,;1.6,-2.17,;.83,-.84,;3.91,.42,;2.58,1.19,;1.24,.42,;-2.76,2.73,)|

CCn1ccc(Nc2ncc3CCc4nn(C)c(-c5sccc5Cl)c4-c3n2)n1 |(-6.32,4.82,;-4.83,4.42,;-4.43,2.93,;-5.34,1.69,;-4.43,.44,;-2.97,.92,;-1.64,.15,;-.3,.92,;-.3,2.46,;1.03,3.23,;2.37,2.46,;3.7,3.23,;5.03,2.46,;5.03,.92,;6.18,-.11,;5.55,-1.52,;6.32,-2.85,;4.02,-1.36,;2.93,-2.45,;3.41,-3.91,;2.16,-4.82,;.91,-3.91,;1.39,-2.45,;.62,-1.12,;3.7,.15,;2.37,.92,;1.03,.15,;-2.97,2.46,)|

CCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(C)c5)c4-c3n2)n1

CCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(Cl)c5)c4-c3n2)n1

CCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(c5)C(F)(F)F)c4-c3n2)n1

CCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5)c4-c3n2)n1

CCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5OC)c4-c3n2)n1

CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(F)cc2)n1

CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(OC(F)F)cc2)n1

CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2cccc(C)c2)n1

CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2cccc(Cl)c2)n1

CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2cccc(OC)c2)n1

CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2)n1

CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2Cl)n1 |(-6.53,4.65,;-4.99,4.65,;-4.22,3.31,;-5.13,2.07,;-4.22,.82,;-2.76,1.3,;-1.42,.53,;-.09,1.3,;-.09,2.84,;1.24,3.61,;2.58,2.84,;3.91,3.61,;5.24,2.84,;5.24,1.3,;6.39,.27,;5.76,-1.14,;6.53,-2.47,;4.23,-.98,;3.91,.53,;2.58,1.3,;1.24,.53,;3.14,-2.07,;1.65,-1.67,;.57,-2.76,;.96,-4.25,;2.45,-4.65,;3.54,-3.56,;5.03,-3.96,;-2.76,2.84,)|

CCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1

CCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1Br

CCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1C#C

CCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1Cl

CCn1nc2CCc3cnc(Nc4ccc(CN(C)C)cc4)nc3-c2c1C

CCn1nc2CCc3cnc(Nc4ccc(cc4OC)C(=O)NC4CCN(C)CC4)nc3-c2c1C1CC1

CCn1nccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1

CCn1nccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl |(-4.92,-1.33,;-5.69,.01,;-4.92,1.34,;-5.83,2.59,;-4.92,3.83,;-3.46,3.36,;-3.46,1.82,;-2.13,1.05,;-.79,1.82,;-.79,3.36,;.54,4.13,;1.87,3.36,;3.21,4.13,;4.54,3.36,;4.54,1.82,;5.69,.79,;5.06,-.62,;5.83,-1.96,;3.53,-.46,;3.21,1.05,;1.87,1.82,;.54,1.05,;2.44,-1.55,;.95,-1.15,;-.14,-2.24,;.26,-3.73,;1.75,-4.13,;2.84,-3.04,;4.33,-3.44,)|

CN(C(=O)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)c1ccccc1 |r|

CN(C)C(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C

CN(C)C(=O)CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:15.19,wD:12.12,(13.59,-15.08,;14.63,-13.94,;16.13,-14.28,;14.16,-12.48,;15.2,-11.34,;12.66,-12.14,;12.2,-10.68,;10.69,-10.34,;10.23,-8.88,;11.26,-7.74,;12.77,-8.06,;13.23,-9.54,;10.79,-6.28,;11.82,-5.14,;11.35,-3.66,;9.84,-3.35,;8.81,-4.49,;9.28,-5.95,;9.37,-1.88,;10.27,-.65,;9.37,.6,;10.14,1.94,;11.68,1.94,;12.44,3.27,;11.67,4.6,;12.44,5.94,;13.98,5.95,;14.88,7.2,;16.34,6.73,;17.66,7.51,;18.99,6.75,;19,5.21,;17.67,4.44,;17.67,2.9,;16.34,5.2,;14.89,4.71,;10.12,4.6,;9.36,3.26,;7.9,.13,;6.58,.9,;6.58,2.44,;5.24,.12,;5.24,-1.41,;6.58,-2.18,;7.91,-1.41,)|

CN(C)C(=O)Cn1cc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5)c4-c3n2)cn1

CN(C)C(=O)Cn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(OC(F)F)c5)c4-c3n2)n1

CN(C)C(=O)Cn1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5Cl)c4-c3n2)n1

CN(C)C(=O)Cn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(F)cc2)n1

CN(C)C(=O)Cn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2)n1

CN(C)C(=O)N1CCC(CC1)c1nc(-c2cc3ccccc3[nH]2)c2c(N)nccn12

CN(C)C(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:8.11,wD:5.4,(-1.35,-36.9,;-2.14,-38.22,;-1.38,-39.56,;-3.67,-38.2,;-4.46,-39.53,;-4.16,-36.74,;-3.13,-35.59,;-3.61,-34.12,;-5.11,-33.82,;-6.14,-34.96,;-5.66,-36.42,;-5.6,-32.36,;-4.7,-31.11,;-5.61,-29.86,;-4.84,-28.54,;-5.61,-27.21,;-4.85,-25.88,;-3.3,-25.88,;-2.54,-24.55,;-1.01,-24.55,;-.23,-25.88,;-1,-27.21,;-2.53,-27.21,;-3.3,-28.54,;-2.53,-29.88,;1.3,-25.88,;2.07,-27.22,;3.61,-27.22,;4.38,-25.88,;3.6,-24.54,;2.06,-24.55,;-7.08,-30.35,;-8.41,-29.59,;-8.42,-28.05,;-9.74,-30.36,;-9.74,-31.9,;-8.41,-32.67,;-7.07,-31.89,)|

CN(C)C(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O

CN(C)C(=O)c1cc2cccc(Nc3ncc4CCc5nn(C)c(Cc6ccccc6)c5-c4n3)c2s1

CN(C)C(=O)c1ccc(Nc2ncc(c(N[C@@H]3CC[C@H](N)CC3)n2)C(F)(F)F)cc1 |r,wU:16.15,19.19,(85.12,-20.14,;83.79,-20.91,;83.79,-22.45,;82.45,-20.15,;82.45,-18.61,;81.12,-20.92,;81.12,-22.46,;79.79,-23.23,;78.46,-22.46,;77.13,-23.24,;75.79,-22.47,;74.46,-23.24,;73.12,-22.47,;73.12,-20.92,;74.45,-20.15,;74.45,-18.61,;75.78,-17.84,;77.11,-18.61,;78.44,-17.84,;78.44,-16.3,;79.78,-15.53,;77.11,-15.53,;75.77,-16.3,;75.79,-20.92,;71.79,-20.15,;71.79,-18.61,;70.46,-20.93,;70.45,-19.38,;78.45,-20.93,;79.78,-20.15,)|

CN(C)C(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1

CN(C)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)c3)c2c1

CN(C)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cccc(Oc5ccccc5)c4)c3)c2c1

CN(C)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4-c4ccccc4)c3)c2c1

CN(C)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Nc4ccccc4)c3)c2c1

CN(C)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4OCc4ccccc4)c3)c2c1

CN(C)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1

CN(C)C(=O)c1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1

CN(C)C(C)(C)COc1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(Cl)c1 |(-7.91,5.28,;-7.91,3.74,;-9.24,2.97,;-6.57,2.97,;-5.8,4.3,;-7.34,1.64,;-5.24,2.2,;-3.91,2.97,;-2.57,2.2,;-1.24,2.97,;.09,2.2,;.09,.66,;1.43,-.11,;2.76,.66,;2.76,2.2,;4.1,2.97,;5.43,2.2,;6.76,2.97,;8.1,2.2,;8.1,.66,;9.24,-.37,;8.61,-1.78,;9.01,-3.26,;7.08,-1.62,;6.76,-.11,;5.43,.66,;4.1,-.11,;5.99,-2.7,;4.51,-2.31,;3.42,-3.39,;3.82,-4.88,;5.3,-5.28,;6.39,-4.19,;7.88,-4.59,;-1.24,-.11,;-1.24,-1.65,;-2.57,.66,)|

CN(C)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

CN(C)C1CCN(CCn2ccc(Nc3ncc4CCc5nn(C)c(c5-c4n3)-c3ccccc3)n2)CC1

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

CN(C)CC(C)(C)COc1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(Cl)c1 |(-6.57,5.67,;-7.91,4.9,;-9.24,5.67,;-7.91,3.36,;-6.57,2.59,;-5.8,3.92,;-7.34,1.25,;-5.24,1.82,;-3.91,2.59,;-2.57,1.82,;-1.24,2.59,;.09,1.82,;.09,.28,;1.43,-.49,;2.76,.28,;2.76,1.82,;4.1,2.59,;5.43,1.82,;6.76,2.59,;8.1,1.82,;8.1,.28,;9.24,-.75,;8.61,-2.16,;9.01,-3.65,;7.08,-2,;6.76,-.49,;5.43,.28,;4.1,-.49,;5.99,-3.09,;4.51,-2.69,;3.42,-3.78,;3.82,-5.27,;5.3,-5.67,;6.39,-4.58,;7.88,-4.98,;-1.24,-.49,;-1.24,-2.03,;-2.57,.28,)|

CN(C)CCCNC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2Cl)c(Cl)c1 |(-10.65,3.36,;-9.31,2.59,;-9.31,1.05,;-7.98,3.36,;-6.65,2.59,;-5.31,3.36,;-3.98,2.59,;-2.64,3.36,;-2.64,4.9,;-1.31,2.59,;.02,3.36,;1.36,2.59,;1.36,1.05,;2.69,.28,;4.02,1.05,;4.02,2.59,;5.36,3.36,;6.69,2.59,;8.02,3.36,;9.36,2.59,;9.36,1.05,;10.5,.02,;9.88,-1.39,;10.65,-2.73,;8.35,-1.23,;8.02,.28,;6.69,1.05,;5.36,.28,;7.26,-2.32,;5.77,-1.92,;4.68,-3.01,;5.08,-4.5,;6.57,-4.9,;7.65,-3.81,;9.14,-4.21,;.02,.28,;.02,-1.26,;-1.31,1.05,)|

CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

CN(C)CCCOc1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(Cl)c1 |(-5.91,-1.26,;-7.24,-.49,;-8.57,-1.26,;-7.24,1.05,;-5.91,1.82,;-5.91,3.36,;-4.57,4.13,;-3.24,3.36,;-1.91,4.13,;-.57,3.36,;-.57,1.82,;.76,1.05,;2.1,1.82,;2.1,3.36,;3.43,4.13,;4.76,3.36,;6.1,4.13,;7.43,3.36,;7.43,1.82,;8.57,.79,;7.95,-.62,;8.35,-2.11,;6.42,-.46,;6.1,1.05,;4.76,1.82,;3.43,1.05,;5.33,-1.55,;3.84,-1.15,;2.75,-2.24,;3.15,-3.73,;4.64,-4.13,;5.73,-3.04,;7.21,-3.44,;-1.91,1.05,;-1.91,-.49,;-3.24,1.82,)|

CN(C)CCCc1ccc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)cc1

CN(C)CCN(C)C(=O)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1

CN(C)CCN(C)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1

CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C

CN(C)CCNC(=O)c1cc2cccc(Nc3ncc4CCc5nn(C)c(Cc6ccccc6)c5-c4n3)c2s1

CN(C)CCNC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(Cl)c1 |(-9.98,2.59,;-8.65,3.36,;-8.65,4.9,;-7.31,2.59,;-5.98,3.36,;-4.65,2.59,;-3.31,3.36,;-3.31,4.9,;-1.98,2.59,;-.64,3.36,;.69,2.59,;.69,1.05,;2.02,.28,;3.36,1.05,;3.36,2.59,;4.69,3.36,;6.02,2.59,;7.36,3.36,;8.69,2.59,;8.69,1.05,;9.84,.02,;9.21,-1.39,;9.98,-2.73,;7.68,-1.23,;7.36,.28,;6.02,1.05,;4.69,.28,;6.59,-2.32,;5.1,-1.92,;4.01,-3.01,;4.41,-4.5,;5.9,-4.9,;6.99,-3.81,;8.48,-4.21,;-.64,.28,;-.64,-1.26,;-1.98,1.05,)|

CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1

CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1

CN(C)CCNC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1

CN(C)CCNC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1

CN(C)CCOC(=O)c1cc2cccc(Nc3ncc4CCc5nn(C)c(Cc6ccccc6)c5-c4n3)c2s1

CN(C)CCOc1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(Cl)c1 |(-8.57,1.82,;-7.24,1.05,;-7.24,-.49,;-5.91,1.82,;-5.91,3.36,;-4.57,4.13,;-3.24,3.36,;-1.91,4.13,;-.57,3.36,;-.57,1.82,;.76,1.05,;2.1,1.82,;2.1,3.36,;3.43,4.13,;4.76,3.36,;6.1,4.13,;7.43,3.36,;7.43,1.82,;8.57,.79,;7.95,-.62,;8.35,-2.11,;6.42,-.46,;6.1,1.05,;4.76,1.82,;3.43,1.05,;5.33,-1.55,;3.84,-1.15,;2.75,-2.24,;3.15,-3.73,;4.64,-4.13,;5.73,-3.04,;7.21,-3.44,;-1.91,1.05,;-1.91,-.49,;-3.24,1.82,)|

CN(C)CCOc1cccc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c1

CN(C)CCc1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1

CN(C)CCc1cccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)c1

CN(C)CCn1cc(Nc2ncc3CCc4nn(C)c(Cc5cccc(F)c5)c4-c3n2)cn1

CN(C)CCn1cc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5)c4-c3n2)cn1

CN(C)CCn1cc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(Cl)cc2)cn1

CN(C)CCn1cc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(OC(F)F)cc2)cn1

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(-c5sccc5C)c4-c3n2)n1 |(-8.14,1.92,;-7.37,3.25,;-8.14,4.59,;-5.83,3.25,;-5.06,1.92,;-3.52,1.92,;-2.61,3.16,;-1.15,2.69,;-1.15,1.15,;.18,.38,;1.52,1.15,;1.52,2.69,;2.85,3.46,;4.18,2.69,;5.52,3.46,;6.85,2.69,;6.85,1.15,;8,.12,;7.37,-1.29,;8.14,-2.62,;5.84,-1.13,;4.75,-2.22,;5.23,-3.68,;3.98,-4.59,;2.73,-3.68,;3.21,-2.22,;2.44,-.88,;5.52,.38,;4.18,1.15,;2.85,.38,;-2.61,.67,)|

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(-c5sccc5Cl)c4-c3n2)n1 |(-8.14,4.59,;-7.37,3.25,;-8.14,1.92,;-5.83,3.25,;-5.06,1.92,;-3.52,1.92,;-2.61,3.16,;-1.15,2.69,;-1.15,1.15,;.18,.38,;1.52,1.15,;1.52,2.69,;2.85,3.46,;4.18,2.69,;5.52,3.46,;6.85,2.69,;6.85,1.15,;8,.12,;7.37,-1.29,;8.14,-2.62,;5.84,-1.13,;4.75,-2.22,;5.23,-3.68,;3.98,-4.59,;2.73,-3.68,;3.21,-2.22,;2.44,-.88,;5.52,.38,;4.18,1.15,;2.85,.38,;-2.61,.67,)|

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccc6ccccc6c5)c4-c3n2)n1

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(C)c5)c4-c3n2)n1

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(Cl)c5)c4-c3n2)n1

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(c5)C(F)(F)F)c4-c3n2)n1

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc6ccccc56)c4-c3n2)n1

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5)c4-c3n2)n1

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5Cl)c4-c3n2)n1

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(F)cc2)n1

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(OC(F)F)cc2)n1

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2cccc(C)c2)n1

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2cccc(Cl)c2)n1

CN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2)n1

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

CN(C)C[C@H](O)COc1cccc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c1 |r|

CN(C)C[C@H]1C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |wU:6.8,wD:4.3,(-5.34,-34.06,;-5.81,-32.6,;-7.32,-32.28,;-4.78,-31.45,;-5.26,-29.99,;-4.56,-28.62,;-5.94,-27.92,;-6.63,-29.29,;-6.42,-26.46,;-5.51,-25.2,;-6.42,-23.95,;-5.64,-22.62,;-6.41,-21.29,;-5.64,-19.96,;-4.09,-19.96,;-3.33,-18.63,;-1.78,-18.64,;-1,-19.98,;-1.78,-21.31,;-3.32,-21.31,;-4.1,-22.63,;.54,-19.98,;1.31,-21.32,;2.85,-21.32,;3.62,-19.99,;2.84,-18.65,;1.3,-18.66,;-7.89,-24.43,;-9.24,-23.66,;-9.24,-22.12,;-10.56,-24.43,;-10.56,-25.98,;-9.23,-26.75,;-7.89,-25.98,)|

CN(C)C[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |wU:6.8,4.3,(25.03,-21.69,;24.56,-20.23,;23.05,-19.91,;25.59,-19.08,;25.11,-17.62,;23.74,-16.92,;24.43,-15.55,;25.81,-16.24,;23.95,-14.09,;24.86,-12.83,;23.95,-11.57,;24.73,-10.25,;23.97,-8.92,;24.73,-7.59,;26.28,-7.59,;27.05,-6.26,;28.59,-6.27,;29.37,-7.61,;28.59,-8.94,;27.05,-8.94,;26.27,-10.26,;30.91,-7.61,;31.68,-8.95,;33.22,-8.95,;33.99,-7.62,;33.21,-6.28,;31.68,-6.29,;22.48,-12.05,;21.14,-11.29,;21.13,-9.75,;19.81,-12.06,;19.81,-13.61,;21.14,-14.38,;22.48,-13.61,)|

CN(C)C[C@H]1C[C@H](C1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12 |wU:6.8,4.3,(13.74,-47.62,;13.26,-46.15,;14.29,-45.01,;11.76,-45.84,;11.28,-44.37,;9.91,-43.67,;10.61,-42.31,;11.98,-43,;10.13,-40.84,;11.04,-39.59,;10.13,-38.33,;10.6,-36.87,;9.57,-35.73,;10.04,-34.27,;11.55,-33.94,;12.58,-35.09,;14.09,-34.77,;15.12,-35.91,;16.63,-35.59,;17.65,-36.74,;19.15,-36.42,;19.63,-34.95,;18.59,-33.8,;17.09,-34.13,;12.11,-36.55,;8.65,-38.81,;7.31,-38.05,;7.3,-36.51,;5.99,-38.82,;5.98,-40.36,;7.31,-41.13,;8.65,-40.36,)|

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|

CN(C)Cc1ccc(NC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1 |w:9.8|

CN(C)Cc1ccc(NC=C2C(=O)NC(=O)c3ccc(Nc4cccc(c4)C(C)=O)cc23)cc1 |w:9.8|

CN(C)Cc1ccc(NC=C2C(=O)NC(=O)c3ccc(Nc4ccccc4)cc23)cc1 |w:9.8|

CN(C)S(=O)(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1

CN(C)S(=O)(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1

CN(C)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |wU:5.7,3.2,(24.37,-53.29,;25.4,-52.15,;26.9,-52.47,;24.92,-50.68,;23.55,-49.98,;24.24,-48.62,;25.62,-49.31,;23.77,-47.15,;24.68,-45.9,;23.76,-44.64,;24.54,-43.32,;23.78,-41.99,;24.55,-40.66,;26.09,-40.66,;26.86,-39.32,;28.4,-39.34,;29.18,-40.67,;28.4,-42.01,;26.86,-42,;26.08,-43.33,;30.72,-40.68,;31.49,-42.02,;33.03,-42.02,;33.8,-40.68,;33.02,-39.34,;31.49,-39.35,;22.29,-45.12,;20.95,-44.36,;20.94,-42.82,;19.62,-45.13,;19.62,-46.67,;20.95,-47.44,;22.29,-46.67,)|

CN(C)c1cc(CN2C(=O)N(C(=O)C2(C)C)c2ccc(SC(F)(F)F)cc2)ccn1

CN(C)c1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:18.18|

CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1

CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1

CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1

CN(C)c1ccc(\C=C2/C(=O)Nc3cc(F)ccc23)cc1

CN(C)c1ccc(\C=C2/C(=O)Nc3cccc(C)c23)cc1

CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

CN(C[C@H]1C[C@H](C1)C1=NC(C2N1C=CN=C2N)c1cccc(OCc2ccccc2)c1)N1CCNCC1 |wU:5.7,3.2,c:14,16,t:8,(28.09,-10.51,;27.61,-9.05,;26.1,-8.73,;25.63,-7.26,;24.25,-6.56,;24.95,-5.2,;26.33,-5.89,;24.48,-3.73,;25.39,-2.48,;24.48,-1.22,;23,-1.7,;23,-3.26,;21.66,-4.03,;20.33,-3.26,;20.33,-1.71,;21.66,-.94,;21.65,.6,;24.95,.24,;23.92,1.37,;24.39,2.84,;25.9,3.16,;26.93,2.02,;28.44,2.34,;29.47,1.2,;30.97,1.52,;32,.37,;33.5,.69,;33.98,2.16,;32.94,3.3,;31.44,2.98,;26.46,.56,;28.64,-7.9,;30.14,-8.23,;31.17,-7.09,;30.7,-5.62,;29.19,-5.3,;28.16,-6.44,)|

CN(Cc1cc(O)c(O)c(O)c1)C(=S)\C=C\c1cc(O)c(O)c(Br)c1

CN(Cc1cc(cc2nc([nH]c12)-c1ccc[nH]c1=O)-n1ccnc1)c1ccccc1

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21

CN1C(=O)\C(=C/c2ccc(Br)cc2)c2ccccc12

CN1CC(C1)NC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(Cl)c1 |(-9.59,5.06,;-8.26,4.29,;-6.77,4.68,;-6.37,3.2,;-7.86,2.8,;-5.04,2.43,;-3.7,3.2,;-3.7,4.74,;-2.37,2.43,;-1.03,3.2,;.3,2.43,;.3,.89,;1.63,.12,;2.97,.89,;2.97,2.43,;4.3,3.2,;5.63,2.43,;6.97,3.2,;8.3,2.43,;8.3,.89,;9.45,-.14,;8.82,-1.55,;9.59,-2.88,;7.29,-1.39,;6.97,.12,;5.63,.89,;4.3,.12,;6.2,-2.48,;4.71,-2.08,;3.62,-3.17,;4.02,-4.66,;5.51,-5.06,;6.6,-3.97,;8.08,-4.37,;-1.03,.12,;-1.03,-1.42,;-2.37,.89,)|

CN1CC(CNc2cc(ccc2C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)N2CCN(C)CC2)C1

CN1CCC(CC1)N1CCC(CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12

CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O

CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(-c5ccco5)c4-c3n2)c(C)c1

CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5)c4-c3n2)c(Cl)c1

CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(C)c1 |(-9.98,5.28,;-8.65,4.51,;-7.31,5.28,;-5.98,4.51,;-5.98,2.97,;-7.31,2.2,;-8.65,2.97,;-4.65,2.2,;-3.31,2.97,;-3.31,4.51,;-1.98,2.2,;-.64,2.97,;.69,2.2,;.69,.66,;2.02,-.11,;3.36,.66,;3.36,2.2,;4.69,2.97,;6.02,2.2,;7.36,2.97,;8.69,2.2,;8.69,.66,;9.84,-.37,;9.21,-1.78,;9.98,-3.11,;7.68,-1.62,;7.36,-.11,;6.02,.66,;4.69,-.11,;6.59,-2.7,;5.1,-2.31,;4.01,-3.39,;4.41,-4.88,;5.9,-5.28,;6.99,-4.19,;8.48,-4.59,;-.64,-.11,;-.64,-1.65,;-1.98,.66,)|

CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(Cl)c1 |(-9.98,5.28,;-8.65,4.51,;-7.31,5.28,;-5.98,4.51,;-5.98,2.97,;-7.31,2.2,;-8.65,2.97,;-4.65,2.2,;-3.31,2.97,;-3.31,4.51,;-1.98,2.2,;-.64,2.97,;.69,2.2,;.69,.66,;2.02,-.11,;3.36,.66,;3.36,2.2,;4.69,2.97,;6.02,2.2,;7.36,2.97,;8.69,2.2,;8.69,.66,;9.84,-.37,;9.21,-1.78,;9.98,-3.11,;7.68,-1.62,;7.36,-.11,;6.02,.66,;4.69,-.11,;6.59,-2.7,;5.1,-2.31,;4.01,-3.39,;4.41,-4.88,;5.9,-5.28,;6.99,-4.19,;8.48,-4.59,;-.64,-.11,;-.64,-1.65,;-1.98,.66,)|

CN1CCC(CC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1

CN1CCC(CC1)Nc1ccc(-c2cc3c(ncnc3[nH]2)N2CCC[C@@H](C2)C(=O)NCc2ccc(OC(F)(F)F)cc2)c(C)c1 |r|

CN1CCC(CC1)Oc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1

CN1CCC(CC1)Oc1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(Cl)c1 |(-9.24,1.05,;-7.91,1.82,;-6.57,1.05,;-5.24,1.82,;-5.24,3.36,;-6.57,4.13,;-7.91,3.36,;-3.91,4.13,;-2.57,3.36,;-1.24,4.13,;.09,3.36,;.09,1.82,;1.43,1.05,;2.76,1.82,;2.76,3.36,;4.1,4.13,;5.43,3.36,;6.76,4.13,;8.1,3.36,;8.1,1.82,;9.24,.79,;8.61,-.62,;9.01,-2.11,;7.08,-.46,;6.76,1.05,;5.43,1.82,;4.1,1.05,;5.99,-1.55,;4.51,-1.15,;3.42,-2.24,;3.82,-3.73,;5.3,-4.13,;6.39,-3.04,;7.88,-3.44,;-1.24,1.05,;-1.24,-.49,;-2.57,1.82,)|

CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O

CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1

CN1CCN(CC1)C(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1

CN1CCN(CC1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1

CN1CCN(CC1)C1CC(C1)c1c(ccc2ccc(nc12)-c1ccccc1)-c1ncn2ccnc(N)c12 |(21.77,-8.21,;20.98,-6.88,;19.44,-6.89,;18.66,-5.58,;19.42,-4.23,;20.96,-4.21,;21.74,-5.54,;18.63,-2.91,;17.14,-2.53,;17.52,-1.04,;19.01,-1.42,;16.74,.28,;15.2,.27,;14.4,1.57,;15.14,2.92,;16.69,2.95,;17.44,4.3,;18.98,4.33,;19.78,2.99,;19.03,1.64,;17.48,1.62,;21.32,3.02,;22.11,1.69,;23.65,1.72,;24.4,3.06,;23.6,4.39,;22.06,4.36,;14.45,-1.08,;15.1,-2.47,;13.98,-3.52,;12.64,-2.77,;11.19,-3.27,;10.03,-2.27,;10.32,-.76,;11.78,-.25,;12.07,1.26,;12.93,-1.27,)|

CN1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)c(C)c2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(25.83,-36.23,;25.36,-34.76,;23.86,-34.43,;23.39,-32.97,;24.43,-31.83,;25.94,-32.15,;26.4,-33.63,;23.96,-30.37,;24.99,-29.22,;24.52,-27.75,;23.01,-27.44,;21.98,-28.58,;22.45,-30.04,;22.53,-25.97,;23.44,-24.73,;22.54,-23.48,;23.3,-22.15,;24.85,-22.15,;25.61,-20.82,;24.84,-19.48,;25.6,-18.15,;27.14,-18.14,;28.04,-16.88,;29.51,-17.35,;30.83,-16.59,;32.16,-17.34,;32.17,-18.88,;30.84,-19.65,;30.84,-21.19,;29.51,-18.89,;28.05,-19.38,;23.29,-19.49,;22.51,-18.16,;22.53,-20.83,;21.07,-23.96,;19.74,-23.19,;19.74,-21.65,;18.41,-23.96,;18.41,-25.5,;19.75,-26.27,;21.07,-25.5,)|

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)c(Cl)c2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(10.51,-36.15,;10.04,-34.69,;8.54,-34.35,;8.07,-32.89,;9.1,-31.75,;10.62,-32.07,;11.08,-33.55,;8.63,-30.29,;9.67,-29.15,;9.2,-27.67,;7.69,-27.36,;6.66,-28.5,;7.13,-29.96,;7.21,-25.89,;8.12,-24.66,;7.21,-23.41,;7.98,-22.07,;9.52,-22.07,;10.29,-20.74,;9.52,-19.41,;10.28,-18.07,;11.82,-18.06,;12.72,-16.81,;14.19,-17.28,;15.51,-16.51,;16.84,-17.26,;16.84,-18.8,;15.52,-19.57,;15.52,-21.11,;14.19,-18.81,;12.73,-19.3,;7.97,-19.41,;7.19,-18.09,;7.21,-20.75,;5.75,-23.88,;4.42,-23.11,;4.42,-21.57,;3.09,-23.89,;3.08,-25.42,;4.43,-26.19,;5.75,-25.42,)|

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-3.03,-35.57,;-3.49,-34.1,;-5,-33.77,;-5.46,-32.31,;-4.43,-31.17,;-2.92,-31.49,;-2.45,-32.96,;-4.9,-29.71,;-3.86,-28.56,;-4.33,-27.09,;-5.84,-26.77,;-6.87,-27.92,;-6.4,-29.38,;-6.32,-25.31,;-5.42,-24.07,;-6.32,-22.82,;-5.55,-21.49,;-4.01,-21.49,;-3.24,-20.16,;-4.02,-18.82,;-3.25,-17.49,;-1.71,-17.48,;-.81,-16.22,;.66,-16.69,;1.97,-15.92,;3.3,-16.68,;3.31,-18.22,;1.98,-18.99,;1.99,-20.53,;.66,-18.23,;-.8,-18.71,;-5.56,-18.83,;-6.34,-17.5,;-6.32,-20.17,;-7.78,-23.3,;-9.11,-22.53,;-9.11,-20.99,;-10.45,-23.3,;-10.45,-24.84,;-9.11,-25.61,;-7.78,-24.84,)|

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-3.94,-49.99,;-4.4,-48.53,;-5.91,-48.19,;-6.37,-46.73,;-5.34,-45.59,;-3.83,-45.91,;-3.36,-47.39,;-5.81,-44.13,;-4.78,-42.98,;-5.25,-41.51,;-6.76,-41.19,;-7.79,-42.34,;-7.32,-43.8,;-7.24,-39.73,;-6.33,-38.49,;-7.23,-37.24,;-6.46,-35.9,;-4.92,-35.91,;-4.16,-34.57,;-4.93,-33.24,;-4.16,-31.9,;-2.62,-31.9,;-1.72,-30.64,;-.26,-31.11,;1.06,-30.34,;2.39,-31.1,;2.4,-32.64,;1.07,-33.41,;1.08,-34.95,;-.25,-32.64,;-1.71,-33.13,;-6.48,-33.25,;-7.24,-34.58,;-8.7,-37.71,;-10.03,-36.95,;-10.03,-35.41,;-11.37,-37.72,;-11.37,-39.26,;-10.02,-40.03,;-8.7,-39.26,)|

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2C)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(58.49,-34.78,;58.03,-33.31,;56.53,-32.98,;56.06,-31.51,;57.09,-30.38,;58.6,-30.7,;59.07,-32.17,;56.62,-28.91,;57.66,-27.77,;57.19,-26.3,;55.68,-25.98,;54.65,-27.12,;55.12,-28.58,;55.2,-24.52,;56.11,-23.28,;55.2,-22.03,;55.97,-20.69,;55.2,-19.37,;55.96,-18.04,;57.51,-18.03,;58.27,-16.69,;59.81,-16.69,;60.71,-15.43,;62.18,-15.9,;63.5,-15.13,;64.82,-15.89,;64.83,-17.43,;63.51,-18.2,;63.51,-19.74,;62.18,-17.43,;60.72,-17.92,;58.28,-19.36,;57.51,-20.7,;58.28,-22.03,;53.74,-22.5,;52.41,-21.74,;52.41,-20.2,;51.07,-22.51,;51.07,-24.05,;52.41,-24.82,;53.74,-24.05,)|

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2Cl)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(39.66,-36.63,;39.2,-35.16,;37.69,-34.83,;37.23,-33.37,;38.26,-32.23,;39.77,-32.55,;40.23,-34.02,;37.79,-30.77,;38.82,-29.62,;38.35,-28.15,;36.84,-27.83,;35.81,-28.98,;36.28,-30.44,;36.37,-26.37,;37.27,-25.13,;36.37,-23.88,;37.14,-22.55,;36.36,-21.23,;37.12,-19.89,;38.67,-19.88,;39.44,-18.55,;40.98,-18.54,;41.88,-17.28,;43.34,-17.75,;44.66,-16.98,;45.99,-17.74,;46,-19.28,;44.67,-20.05,;44.68,-21.59,;43.34,-19.29,;41.89,-19.77,;39.44,-21.22,;38.68,-22.55,;39.45,-23.88,;34.9,-24.36,;33.58,-23.59,;33.57,-22.05,;32.24,-24.36,;32.24,-25.9,;33.58,-26.67,;34.9,-25.9,)|

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Nc3nc4cc(C)cc(Br)c4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,7.7,(11.28,-10.54,;10.82,-9.08,;9.31,-8.74,;8.85,-7.28,;9.88,-6.15,;11.39,-6.46,;11.85,-7.94,;9.41,-4.68,;7.9,-4.35,;7.43,-2.9,;8.45,-1.76,;9.97,-2.07,;10.44,-3.54,;7.97,-.29,;8.88,.95,;7.98,2.19,;8.46,3.66,;10.01,3.66,;10.77,4.99,;10,6.31,;10.77,7.65,;12.31,7.65,;13.22,8.91,;14.69,8.42,;16.02,9.2,;17.35,8.42,;18.68,9.2,;17.36,6.87,;16.02,6.1,;16.02,4.56,;14.69,6.87,;13.22,6.39,;8.46,6.32,;7.7,7.67,;7.69,4.99,;6.52,1.72,;5.19,2.49,;5.19,4.03,;3.86,1.72,;3.86,.18,;5.19,-.58,;6.51,.18,)|

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cc(C)cc(C)c4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,7.7,(-3.05,-9.75,;-3.52,-8.28,;-5.02,-7.95,;-5.49,-6.49,;-4.46,-5.35,;-2.95,-5.67,;-2.48,-7.14,;-4.93,-3.89,;-6.43,-3.56,;-6.9,-2.1,;-5.88,-.96,;-4.37,-1.27,;-3.9,-2.74,;-6.36,.5,;-5.45,1.75,;-6.35,2.99,;-5.88,4.45,;-4.33,4.45,;-3.56,5.78,;-4.34,7.11,;-3.56,8.44,;-2.03,8.45,;-1.12,9.7,;.36,9.22,;1.68,9.99,;3.02,9.21,;4.35,9.99,;3.02,7.67,;1.69,6.89,;1.69,5.35,;.35,7.67,;-1.12,7.18,;-5.87,7.12,;-6.64,8.46,;-6.64,5.79,;-7.82,2.51,;-9.15,3.28,;-9.14,4.82,;-10.48,2.51,;-10.47,.97,;-9.14,.21,;-7.82,.97,)|

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cc(C)cc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:10.14,7.7,(40.74,-32.92,;40.28,-31.45,;38.77,-31.12,;38.31,-29.66,;39.34,-28.52,;40.85,-28.84,;41.31,-30.31,;38.87,-27.05,;37.36,-26.73,;36.89,-25.27,;37.91,-24.13,;39.43,-24.44,;39.9,-25.91,;37.43,-22.66,;38.34,-21.41,;37.44,-20.17,;37.92,-18.71,;37.15,-17.37,;37.92,-16.04,;39.46,-16.05,;40.23,-14.72,;41.77,-14.72,;42.68,-13.47,;44.15,-13.95,;45.48,-13.18,;46.82,-13.95,;48.15,-13.17,;46.82,-15.5,;45.48,-16.27,;45.48,-17.81,;44.15,-15.5,;42.68,-15.97,;40.23,-17.38,;39.47,-18.71,;35.97,-20.65,;34.65,-19.88,;34.65,-18.34,;33.31,-20.65,;33.32,-22.19,;34.65,-22.95,;35.97,-22.19,)|

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cc(Cl)cc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:10.14,7.7,(56.37,-32.68,;55.9,-31.22,;54.4,-30.88,;53.93,-29.42,;54.96,-28.28,;56.47,-28.6,;56.94,-30.08,;54.49,-26.82,;52.98,-26.49,;52.51,-25.03,;53.54,-23.89,;55.05,-24.2,;55.52,-25.67,;53.06,-22.43,;53.97,-21.18,;53.07,-19.94,;53.54,-18.48,;52.77,-17.14,;53.55,-15.81,;55.08,-15.82,;55.86,-14.48,;57.4,-14.49,;58.31,-13.24,;59.78,-13.72,;61.11,-12.95,;62.44,-13.71,;63.77,-12.94,;62.45,-15.26,;61.11,-16.04,;61.11,-17.58,;59.78,-15.26,;58.3,-15.74,;55.86,-17.14,;55.09,-18.47,;51.6,-20.41,;50.27,-19.65,;50.27,-18.11,;48.94,-20.41,;48.94,-21.96,;50.27,-22.72,;51.6,-21.95,)|

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cc(Cl)ccc4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,7.7,(28.04,-31.31,;27.58,-29.84,;26.07,-29.51,;25.6,-28.05,;26.64,-26.91,;28.15,-27.23,;28.61,-28.7,;26.16,-25.44,;24.66,-25.12,;24.19,-23.66,;25.21,-22.52,;26.72,-22.83,;27.2,-24.3,;24.73,-21.05,;25.64,-19.8,;24.74,-18.56,;25.22,-17.1,;26.76,-17.1,;27.53,-15.77,;26.76,-14.44,;27.53,-13.11,;29.07,-13.11,;29.98,-11.86,;31.45,-12.34,;32.78,-11.57,;34.11,-12.34,;35.45,-11.56,;34.12,-13.89,;32.78,-14.66,;31.45,-13.89,;29.98,-14.36,;25.22,-14.43,;24.45,-13.1,;24.45,-15.76,;23.27,-19.04,;21.94,-18.27,;21.95,-16.73,;20.61,-19.04,;20.62,-20.58,;21.95,-21.34,;23.27,-20.58,)|

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(C#N)c4o3)cc2)c2c(N)ncnc12 |r,wU:10.14,7.7,(41.57,-11.36,;41.11,-9.9,;39.6,-9.56,;39.14,-8.1,;40.17,-6.96,;41.68,-7.28,;42.14,-8.76,;39.7,-5.5,;38.19,-5.17,;37.72,-3.71,;38.74,-2.57,;40.26,-2.88,;40.73,-4.35,;38.26,-1.11,;39.17,.14,;38.27,1.38,;38.75,2.84,;37.98,4.18,;38.75,5.51,;40.29,5.5,;41.06,6.83,;42.6,6.83,;43.51,8.09,;44.98,7.61,;46.31,8.38,;47.64,7.61,;47.65,6.05,;46.31,5.28,;46.31,3.74,;46.32,2.21,;44.98,6.05,;43.51,5.58,;41.06,4.18,;40.3,2.84,;36.81,.9,;35.48,1.67,;35.48,3.21,;34.15,.9,;34.15,-.64,;35.48,-1.4,;36.8,-.63,)|

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,7.7,(13.8,-30.58,;13.33,-29.12,;11.83,-28.78,;11.36,-27.32,;12.39,-26.18,;13.9,-26.5,;14.37,-27.98,;11.92,-24.72,;10.42,-24.39,;9.95,-22.93,;10.97,-21.79,;12.48,-22.1,;12.96,-23.57,;10.49,-20.33,;11.4,-19.08,;10.5,-17.84,;10.98,-16.38,;12.52,-16.37,;13.29,-15.04,;12.52,-13.72,;13.29,-12.38,;14.83,-12.39,;15.74,-11.14,;17.21,-11.62,;18.54,-10.85,;19.87,-11.61,;19.88,-13.16,;18.54,-13.94,;18.54,-15.48,;17.21,-13.16,;15.74,-13.64,;10.98,-13.71,;10.21,-12.37,;10.21,-15.04,;9.03,-18.31,;7.7,-17.55,;7.71,-16.01,;6.37,-18.31,;6.37,-19.86,;7.7,-20.62,;9.03,-19.85,)|

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:10.14,7.7,(-.24,-28.93,;-.7,-27.46,;-2.21,-27.13,;-2.68,-25.67,;-1.64,-24.53,;-.13,-24.85,;.33,-26.32,;-2.12,-23.06,;-3.62,-22.74,;-4.09,-21.28,;-3.07,-20.14,;-1.56,-20.45,;-1.08,-21.92,;-3.55,-18.67,;-2.64,-17.42,;-3.54,-16.18,;-3.06,-14.72,;-3.83,-13.38,;-3.06,-12.05,;-1.52,-12.06,;-.75,-10.73,;.79,-10.73,;1.7,-9.48,;3.17,-9.96,;4.5,-9.19,;5.83,-9.96,;5.84,-11.51,;4.5,-12.28,;4.5,-13.82,;3.17,-11.51,;1.7,-11.98,;-.75,-13.39,;-1.52,-14.72,;-5.01,-16.66,;-6.34,-15.89,;-6.33,-14.35,;-7.67,-16.66,;-7.66,-18.2,;-6.33,-18.96,;-5.01,-18.2,)|

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4ccccc4o3)cc2)c2c(N)ncnc12 |r,wU:10.14,7.7,(24.89,-11.43,;24.42,-9.96,;22.92,-9.63,;22.45,-8.17,;23.48,-7.03,;24.99,-7.35,;25.46,-8.82,;23.01,-5.57,;21.51,-5.24,;21.04,-3.78,;22.06,-2.64,;23.57,-2.95,;24.04,-4.42,;21.58,-1.18,;22.49,.07,;21.59,1.31,;22.06,2.77,;21.3,4.11,;22.07,5.44,;23.6,5.43,;24.38,6.76,;25.91,6.76,;26.83,8.02,;28.3,7.54,;29.62,8.31,;30.96,7.53,;30.96,5.98,;29.63,5.21,;28.29,5.98,;26.82,5.51,;24.38,4.11,;23.61,2.77,;20.12,.83,;18.79,1.6,;18.8,3.14,;17.46,.83,;17.47,-.71,;18.79,-1.47,;20.12,-.7,)|

CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3c(Oc4ccccc4)cc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:9.12,7.7,(67.57,-36.98,;66.66,-35.74,;65.13,-35.9,;64.22,-34.66,;64.85,-33.25,;66.38,-33.07,;67.29,-34.33,;63.94,-32.01,;62.42,-31.78,;62.65,-30.26,;64.18,-30.49,;61.74,-29.01,;62.21,-27.55,;60.96,-26.65,;60.95,-25.1,;59.6,-24.34,;59.6,-22.79,;60.93,-22.02,;60.94,-20.48,;59.6,-19.71,;59.6,-18.16,;60.94,-17.4,;60.94,-15.86,;59.6,-15.09,;58.27,-15.86,;58.27,-17.4,;62.27,-19.71,;63.6,-20.47,;63.61,-22.02,;62.27,-22.79,;62.27,-24.33,;64.93,-19.7,;66.27,-20.47,;67.6,-19.69,;67.59,-18.15,;66.25,-17.38,;64.92,-18.16,;59.72,-27.56,;58.23,-27.24,;57.75,-25.78,;57.2,-28.38,;57.67,-29.84,;59.18,-30.17,;60.2,-29.02,)|

CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3c(Oc4ccccc4)cc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:9.12,7.7,(52.28,-55.94,;51.37,-54.69,;49.83,-54.85,;48.93,-53.61,;49.55,-52.21,;51.08,-52.03,;51.99,-53.28,;48.64,-50.96,;47.12,-50.73,;47.36,-49.21,;48.88,-49.44,;46.45,-47.97,;46.92,-46.5,;45.66,-45.6,;45.65,-44.06,;44.31,-43.29,;44.31,-41.75,;45.64,-40.98,;45.64,-39.43,;44.31,-38.66,;44.31,-37.12,;45.65,-36.35,;45.65,-34.81,;44.31,-34.04,;42.97,-34.82,;42.98,-36.36,;46.97,-38.66,;48.31,-39.43,;48.31,-40.98,;46.98,-41.75,;46.98,-43.28,;48.32,-44.05,;49.64,-38.65,;50.97,-39.42,;52.3,-38.65,;52.3,-37.1,;50.95,-36.34,;49.63,-37.12,;44.43,-46.52,;42.93,-46.2,;42.46,-44.73,;41.9,-47.34,;42.38,-48.8,;43.89,-49.12,;44.91,-47.98,)|

CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |wU:7.7,9.12,(13.72,-11.86,;13.25,-10.4,;11.74,-10.07,;11.27,-8.61,;12.31,-7.47,;13.81,-7.78,;14.28,-9.25,;11.83,-6.01,;10.46,-5.31,;11.15,-3.94,;12.53,-4.64,;10.68,-2.48,;11.59,-1.22,;10.67,.03,;11.15,1.5,;10.12,2.63,;10.58,4.09,;12.09,4.42,;12.57,5.88,;14.08,6.21,;15.12,5.05,;14.63,3.58,;13.12,3.27,;12.65,1.81,;16.62,5.37,;17.65,4.22,;19.15,4.54,;19.63,6.01,;18.59,7.15,;17.09,6.83,;9.2,-.45,;7.86,.32,;7.85,1.86,;6.53,-.45,;6.53,-2,;7.86,-2.77,;9.2,-2,)|

CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)ncnn12 |r,wU:9.12,7.7,(25.86,-27.54,;25.39,-26.08,;23.89,-25.75,;23.42,-24.29,;24.45,-23.15,;25.96,-23.46,;26.43,-24.93,;23.97,-21.68,;22.6,-20.98,;23.3,-19.61,;24.67,-20.31,;22.82,-18.15,;23.73,-16.9,;22.82,-15.66,;23.58,-14.32,;22.79,-13,;23.55,-11.66,;25.09,-11.64,;25.85,-10.31,;27.39,-10.3,;28.17,-11.63,;27.41,-12.97,;25.87,-12.98,;25.12,-14.3,;29.71,-11.62,;30.48,-12.95,;32.02,-12.95,;32.79,-11.61,;32,-10.27,;30.47,-10.29,;21.36,-16.13,;20.02,-15.37,;20.02,-13.83,;18.69,-16.14,;18.69,-17.68,;20.03,-18.45,;21.36,-17.68,)|

CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:9.12,7.7,(40.85,-28.31,;40.38,-26.84,;38.87,-26.51,;38.4,-25.05,;39.44,-23.91,;40.94,-24.23,;41.41,-25.7,;38.96,-22.44,;37.58,-21.74,;38.28,-20.37,;39.66,-21.07,;37.81,-18.92,;38.72,-17.67,;37.81,-16.42,;38.56,-15.08,;37.78,-13.76,;38.54,-12.42,;40.08,-12.4,;40.84,-11.07,;42.38,-11.06,;43.16,-12.39,;42.39,-13.73,;40.85,-13.74,;40.11,-15.07,;40.89,-16.39,;44.69,-12.38,;45.47,-13.72,;47.01,-13.71,;47.77,-12.37,;46.99,-11.04,;45.45,-11.05,;36.34,-16.9,;35.01,-16.13,;35,-14.59,;33.68,-16.9,;33.68,-18.45,;35.01,-19.22,;36.34,-18.44,)|

CN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

CN1CCN(CC1)c1cc(CN2C(=O)N(C(=O)C2(C)C)c2ccc(SC(F)(F)F)cc2)ccn1

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4cc(c[nH]4)C(O)=O)C(=O)Nc3c2)c1

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

CN1CCN(CC1)c1ccc(C(=O)Nc2[nH]nc3CCN(Cc23)S(=O)(=O)c2cc(F)cc(F)c2)c(NC(=O)c2ccc[nH]2)c1

CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N)c1

CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCCCC2)c1

CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1

CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCCF)c1

CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@@H]2CC[C@H](O)CC2)c1 |r,wU:37.41,34.37,(6.99,12.97,;6.61,11.8,;7.64,10.66,;7.17,9.19,;5.66,8.87,;4.63,10.01,;5.1,11.48,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;3.75,3.01,;4.57,2.1,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-6.34,-2.81,;-7.7,-.82,;-7.71,.72,;-8.79,1.32,;-6.39,1.5,;-1.03,1.55,;.3,.77,;5.73,4.8,;6.77,3.65,;8.27,3.97,;9.31,2.83,;10.81,3.16,;11.29,4.62,;12.49,4.88,;10.25,5.76,;8.75,5.44,;6.21,6.26,)|

CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:34.37,wD:37.41,(6.99,12.97,;6.61,11.8,;7.64,10.66,;7.17,9.19,;5.66,8.87,;4.63,10.01,;5.1,11.48,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;3.75,3.01,;4.57,2.1,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-6.34,-2.81,;-7.7,-.82,;-7.71,.72,;-8.79,1.32,;-6.39,1.5,;-1.03,1.55,;.3,.77,;5.73,4.8,;6.77,3.65,;8.27,3.97,;8.75,5.44,;10.25,5.76,;11.29,4.62,;12.49,4.88,;10.81,3.16,;9.31,2.83,;6.21,6.26,)|

CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cccc(F)c4)cc23)c(NC2CCOCC2)c1

CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4ccccc4)cc23)c(NC2CCOCC2)c1

CN1CCN(CC1)c1ccc(NC(=O)c2cc(c[nH]c2=O)-c2ccc3OCOc3c2)cc1

CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc23)cc1 |w:12.12|

CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(Nc4cccc(c4)C(C)=O)cc23)cc1 |w:12.12|

CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3ccccc23)cc1

CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3cnccc23)cc1

CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1

CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3cnccc23)cc1

CN1CCN(CC1)c1ccc(Nc2ncc3CCc4nn(C)c(C)c4-c3n2)cc1

CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CCN(Cc12)S(=O)(=O)c1cc(F)cc(F)c1

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc[nH]c1)C(=O)Nc1[nH]nc2c1CN(C2(C)C)S(=O)(=O)c1cc(F)cc(F)c1

CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

CN1CCN(CCCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1

CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1

CN1CCN(CCn2ccc(Nc3ncc4CCc5nn(C)c(c5-c4n3)-c3ccccc3)n2)CC1

CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1

CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1

CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4n[nH]c(C)n4)n3)cc2)CC1

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

CN1CCN=C1c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4|

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

CN1CCc2cc(Nc3nccc(n3)-c3c(nc4sccn34)-c3cccc(NC(=O)Cc4ccccc4)c3)ccc2C1

CNC(=N)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O

CNC(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C

CNC(=O)CN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

CNC(=O)CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)c(OC)c1

CNC(=O)[C@@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)(O)O)NC(=O)[C@H]1CCCC[C@@H]1C(O)=O |r|

CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)(O)O)NC(=O)[C@H](CCC(O)=O)NC(C)=O |r|

CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)(O)O)NC(=O)[C@H](Cc1cccnc1)NC(C)=O |r|

CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)(O)O)NC(=O)[C@H]1CCCC[C@@H]1C(O)=O |r|

CNC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)(O)O)NC(=O)[C@H](CCC(O)=O)NC(C)=O |r|

CNC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)(O)O)NC(=O)[C@H](Cc1cccnc1)NC(C)=O |r|

CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)(O)O)NC(=O)[C@H](CC(O)=O)NC(C)=O |r|

CNC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)(O)O)NC(=O)[C@H](CCC(O)=O)NC(C)=O |r|

CNC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)(O)O)NC(=O)[C@H](Cc1cccnc1)NC(C)=O |r|

CNC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)P(O)(O)O)NC(=O)[C@H]1CCCC[C@@H]1C(O)=O |r|

CNC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:7.10,wD:4.3,(12.87,-39.64,;12.08,-40.96,;10.54,-40.95,;9.76,-42.27,;10.06,-39.48,;11.09,-38.33,;10.61,-36.86,;9.11,-36.56,;8.08,-37.71,;8.56,-39.16,;8.62,-35.1,;9.52,-33.85,;8.61,-32.61,;9.38,-31.28,;8.61,-29.95,;9.37,-28.62,;10.92,-28.62,;11.68,-27.29,;13.21,-27.29,;13.99,-28.62,;13.22,-29.95,;11.69,-29.95,;10.92,-31.28,;11.69,-32.62,;15.52,-28.62,;16.29,-29.96,;17.83,-29.96,;18.6,-28.62,;17.82,-27.29,;16.28,-27.29,;7.14,-33.09,;5.81,-32.33,;5.8,-30.79,;4.48,-33.1,;4.48,-34.64,;5.81,-35.41,;7.15,-34.63,)|

CNC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12 |wU:4.3,wD:7.10,(28.89,-10.95,;28.42,-9.48,;26.92,-9.15,;25.88,-10.3,;26.44,-7.69,;24.94,-7.36,;24.47,-5.9,;25.5,-4.75,;27.01,-5.07,;27.48,-6.54,;25.02,-3.29,;25.94,-2.03,;25.02,-.78,;25.5,.69,;24.46,1.82,;24.93,3.28,;26.44,3.61,;27.48,2.46,;28.98,2.78,;30.01,1.64,;31.52,1.96,;32.54,.82,;34.05,1.13,;34.52,2.6,;33.48,3.75,;31.98,3.42,;27,1,;23.55,-1.26,;22.21,-.5,;22.2,1.04,;20.88,-1.27,;20.88,-2.81,;22.21,-3.58,;23.55,-2.81,)|

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

CNC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)C)nc2[nH]ccc12

CNC(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O

CNC(=O)c1cc(CN2C(=O)N(C(=O)C2(C)C)c2ccc(SC(F)(F)F)cc2)ccn1

CNC(=O)c1cc(F)ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)C)nc2[nH]ccc12

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1

CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1 |r|

CNC(=O)c1cc2cccc(Nc3ncc4CCc5nn(C)c(Cc6ccccc6)c5-c4n3)c2s1

CNC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2)c(OC)c1

CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F

CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(cc4)N4CCN(C)CC4)c3)ccc12

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl

CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1

CNC(=O)c1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1

CNC(=O)c1cscc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21

CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

CNC1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C

CNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(OC)c1

CNCC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12

CNCCN(C)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C

CNCCN(C)c1cc(OC)c(Nc2nccc(n2)-c2cn(C)c3ccccc23)cc1NC(=O)C=C

CNCc1cc(cc2nc([nH]c12)-c1ccc[nH]c1=O)-n1ccnc1

CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1

CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

CNc1cc(CN2C(=O)N(C(=O)C2(C)C)c2ccc(SC(F)(F)F)cc2)ccn1

CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|

CNc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc(OC)c(OC)cc2n1

CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C

CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1

CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1

CNc1nccc(n1)N1CCC[C@@H](C1)C(=O)NCc1ccc(C)cc1 |r|

CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)ccc1C

COC(=O)CCc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C

COC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

COC(=O)N1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

COC(=O)N1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(OC)c1

COC(=O)NC1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1

COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1 |r,c:24|

COC(=O)c1cc2cccc(Nc3ncc4CCc5nn(C)c(Cc6ccccc6)c5-c4n3)c2o1

COC(=O)c1cc2cccc(Nc3ncc4CCc5nn(C)c(Cc6ccccc6)c5-c4n3)c2s1

COC(=O)c1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1 |r|

COC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(OC)c1 |(-7.31,1.05,;-7.31,2.59,;-5.98,3.36,;-5.98,4.9,;-4.65,2.59,;-3.31,3.36,;-1.98,2.59,;-1.98,1.05,;-.64,.28,;.69,1.05,;.69,2.59,;2.02,3.36,;3.36,2.59,;4.69,3.36,;6.02,2.59,;6.02,1.05,;7.17,.02,;6.54,-1.39,;7.31,-2.73,;5.01,-1.23,;4.69,.28,;3.36,1.05,;2.02,.28,;3.92,-2.32,;2.43,-1.92,;1.35,-3.01,;1.74,-4.5,;3.23,-4.9,;4.32,-3.81,;5.81,-4.21,;-3.31,.28,;-3.31,-1.26,;-4.65,-2.03,;-4.65,1.05,)|

COC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(OC)c1 |(-7.31,5.28,;-5.98,4.51,;-5.98,2.97,;-7.31,2.2,;-4.65,2.2,;-3.31,2.97,;-1.98,2.2,;-1.98,.66,;-.64,-.11,;.69,.66,;.69,2.2,;2.02,2.97,;3.36,2.2,;4.69,2.97,;6.02,2.2,;6.02,.66,;7.17,-.37,;6.54,-1.78,;7.31,-3.11,;5.01,-1.62,;4.69,-.11,;3.36,.66,;2.02,-.11,;3.92,-2.7,;2.43,-2.31,;1.35,-3.39,;1.74,-4.88,;3.23,-5.28,;4.32,-4.19,;5.81,-4.59,;-3.31,-.11,;-3.31,-1.65,;-1.98,-2.42,;-4.65,.66,)|

COC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2Cl)c(OC)c1 |(-7.31,1.05,;-7.31,2.59,;-5.98,3.36,;-5.98,4.9,;-4.65,2.59,;-3.31,3.36,;-1.98,2.59,;-1.98,1.05,;-.64,.28,;.69,1.05,;.69,2.59,;2.02,3.36,;3.36,2.59,;4.69,3.36,;6.02,2.59,;6.02,1.05,;7.17,.02,;6.54,-1.39,;7.31,-2.73,;5.01,-1.23,;4.69,.28,;3.36,1.05,;2.02,.28,;3.92,-2.32,;2.43,-1.92,;1.35,-3.01,;1.74,-4.5,;3.23,-4.9,;4.32,-3.81,;5.81,-4.21,;-3.31,.28,;-3.31,-1.26,;-4.65,-2.03,;-4.65,1.05,)|

COC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2Cl)c(OC)c1 |(-7.31,5.28,;-5.98,4.51,;-5.98,2.97,;-7.31,2.2,;-4.65,2.2,;-3.31,2.97,;-1.98,2.2,;-1.98,.66,;-.64,-.11,;.69,.66,;.69,2.2,;2.02,2.97,;3.36,2.2,;4.69,2.97,;6.02,2.2,;6.02,.66,;7.17,-.37,;6.54,-1.78,;7.31,-3.11,;5.01,-1.62,;4.69,-.11,;3.36,.66,;2.02,-.11,;3.92,-2.7,;2.43,-2.31,;1.35,-3.39,;1.74,-4.88,;3.23,-5.28,;4.32,-4.19,;5.81,-4.59,;-3.31,-.11,;-3.31,-1.65,;-1.98,-2.42,;-4.65,.66,)|

COC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C(=O)N(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:10.10|

COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10|

COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1

COC(=O)c1cccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1 |r|

COC(=O)c1cccc2nc(Nc3ccc(cc3)-c3nn([C@@H]4CC[C@@H](CC4)N4CCN(C)CC4)c4ncnc(N)c34)oc12 |r,wU:21.21,24.28,(61.71,1.25,;61.71,2.79,;60.38,3.56,;59.04,2.79,;60.38,5.1,;61.71,5.87,;61.71,7.42,;60.37,8.2,;59.05,7.42,;57.57,7.91,;56.66,6.65,;55.12,6.65,;54.35,5.32,;52.82,5.33,;52.05,4,;52.81,2.66,;54.36,2.66,;55.12,4,;52.34,1.2,;53.24,-.04,;52.33,-1.29,;52.81,-2.75,;51.78,-3.89,;52.26,-5.35,;53.76,-5.68,;54.79,-4.53,;54.32,-3.06,;54.23,-7.14,;53.2,-8.28,;53.67,-9.74,;55.17,-10.07,;55.64,-11.54,;56.21,-8.93,;55.74,-7.46,;50.87,-.81,;49.54,-1.58,;48.21,-.82,;48.21,.73,;49.54,1.49,;49.54,3.03,;50.87,.72,;57.57,5.4,;59.04,5.87,)|

COC(=O)c1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1

COC(CNc1cc[nH]c(=O)c1-c1nc2cc(cc(C)c2[nH]1)-n1ccnc1)c1cccc(Cl)c1

COC(c1c-2c(CCc3cnc(Nc4ccc(OCCN5CCCC5)cc4OC)nc-23)nn1C)c1ccccc1

COC(c1c-2c(CCc3cnc(Nc4ccc(cc4OC)C(=O)NC4CCN(C)CC4)nc-23)nn1C)c1ccccc1

COC(c1c-2c(CCc3cnc(Nc4ccc(cc4OC)N4CCN(C)CC4)nc-23)nn1C)c1ccccc1

COC1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

COC1OC(=O)c2c1c(C)c(O)c(O)c2O

COCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C

COCC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

COCC(=O)N1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

COCCCN1CCC(CC1)N1CCC(CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12

COCCCN1CCC(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4Cl)[nH]c3c2)c2c(N)ncnc12 |r,wU:14.18,wD:11.11,(7.5,-14.98,;6.88,-13.57,;7.78,-12.33,;7.16,-10.92,;8.06,-9.67,;7.43,-8.27,;8.34,-7.02,;7.71,-5.61,;6.18,-5.45,;5.28,-6.7,;5.9,-8.11,;5.55,-4.05,;6.46,-2.8,;5.83,-1.39,;4.3,-1.23,;3.4,-2.48,;4.02,-3.89,;3.68,.17,;2.17,.49,;2.01,2.03,;.67,2.8,;.67,4.34,;-.66,5.11,;-1.99,4.34,;-3.46,4.81,;-4.36,3.57,;-5.9,3.57,;-6.67,4.9,;-5.9,6.23,;-6.67,7.57,;-8.21,7.57,;-8.98,6.23,;-8.21,4.9,;-8.98,3.57,;-3.46,2.32,;-1.99,2.8,;-.66,2.03,;3.42,2.65,;3.89,4.12,;2.86,5.26,;5.4,4.44,;6.43,3.29,;5.95,1.83,;4.45,1.51,)|

COCCCN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:14.18,wD:11.11,(57.12,-57.29,;56.65,-55.82,;55.15,-55.49,;54.69,-54.02,;53.18,-53.69,;52.72,-52.22,;51.21,-51.88,;50.75,-50.42,;51.78,-49.29,;53.29,-49.61,;53.76,-51.08,;51.31,-47.82,;52.35,-46.68,;51.88,-45.2,;50.37,-44.89,;49.34,-46.03,;49.81,-47.49,;49.89,-43.42,;50.79,-42.19,;49.89,-40.94,;50.66,-39.6,;52.2,-39.61,;52.97,-38.27,;52.19,-36.94,;52.96,-35.6,;54.5,-35.6,;55.4,-34.34,;56.87,-34.81,;58.18,-34.04,;59.51,-34.79,;59.52,-36.34,;58.19,-37.11,;58.2,-38.65,;56.87,-36.34,;55.41,-36.83,;50.65,-36.95,;49.89,-38.28,;48.43,-41.41,;47.1,-40.65,;47.1,-39.11,;45.76,-41.42,;45.76,-42.95,;47.1,-43.72,;48.43,-42.95,)|

COCCCN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4OC)[nH]c3c2)c2c(N)ncnc12 |r,wU:11.11,wD:14.18,(10.03,-8.85,;9.16,-7.58,;7.62,-7.7,;6.75,-6.43,;5.22,-6.55,;4.35,-5.28,;2.81,-5.4,;1.94,-4.13,;2.6,-2.74,;4.14,-2.62,;5.01,-3.89,;1.83,-1.41,;.29,-1.34,;-.41,.03,;.42,1.33,;1.96,1.26,;2.66,-.11,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;6.16,9.3,;7.49,8.53,;8.83,9.3,;8.83,10.84,;7.49,11.61,;7.49,13.15,;8.83,13.92,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;-3.15,5.45,;-3.15,6.99,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,)|

COCCCN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:14.18,11.11,(1.96,-14.23,;1.49,-12.76,;-.01,-12.43,;-.47,-10.96,;-1.98,-10.63,;-2.44,-9.16,;-3.95,-8.83,;-4.41,-7.36,;-3.38,-6.23,;-1.87,-6.55,;-1.4,-8.02,;-3.85,-4.76,;-5.35,-4.43,;-5.82,-2.97,;-4.79,-1.83,;-3.28,-2.15,;-2.81,-3.62,;-5.27,-.37,;-4.37,.87,;-5.27,2.12,;-4.5,3.46,;-2.96,3.45,;-2.19,4.79,;-2.97,6.12,;-2.2,7.46,;-.66,7.46,;.24,8.73,;1.71,8.25,;3.02,9.03,;4.35,8.27,;4.36,6.72,;3.03,5.95,;3.04,4.41,;1.71,6.72,;.25,6.23,;-4.51,6.11,;-5.27,4.78,;-6.73,1.65,;-8.06,2.41,;-8.06,3.95,;-9.4,1.64,;-9.4,.1,;-8.06,-.67,;-6.73,.1,)|

COCCCc1cc(Nc2ccnc(NCc3cc(C)no3)n2)[nH]n1

COCCCc1cc(Nc2ccnc(NCc3cc(no3)C(N)=O)n2)[nH]n1

COCCCc1cc(Nc2ccnc(NCc3cc(no3)C3CC3)n2)[nH]n1

COCCCc1cc(Nc2nc(NCc3cc(C)no3)ncc2Br)[nH]n1

COCCN(C)CCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2)n1

COCCN(CCOC)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

COCCN1CCC(CC1)NC(=O)c1cc(OC)c(Nc2ncc3CCc4nn(C)c(C(C)C)c4-c3n2)cc1C

COCCN1CCC(CC1)NC(=O)c1cc(OC)c(Nc2ncc3CCc4nn(C)c(C(C)C)c4-c3n2)cc1Cl

COCCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3C(C)Cc4nn(C)c(c4-c3n2)-c2ccccc2Cl)c(OC)c1 |(-11.31,2.2,;-9.98,2.97,;-9.98,4.51,;-8.65,5.28,;-7.31,4.51,;-5.98,5.28,;-4.65,4.51,;-4.65,2.97,;-5.98,2.2,;-7.31,2.97,;-3.31,2.2,;-1.98,2.97,;-1.98,4.51,;-.64,2.2,;.69,2.97,;2.02,2.2,;2.02,.66,;3.36,-.11,;4.69,.66,;4.69,2.2,;6.02,2.97,;7.36,2.2,;8.69,2.97,;8.69,4.51,;10.03,2.2,;10.03,.66,;11.17,-.37,;10.54,-1.78,;11.31,-3.11,;9.01,-1.62,;8.69,-.11,;7.36,.66,;6.02,-.11,;7.92,-2.7,;6.44,-2.31,;5.35,-3.39,;5.75,-4.88,;7.23,-5.28,;8.32,-4.19,;9.81,-4.59,;.69,-.11,;.69,-1.65,;2.02,-2.42,;-.64,.66,)|

COCCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2)c(OC)c1

COCCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(Cl)c1 |(-11.31,2.2,;-9.98,2.97,;-9.98,4.51,;-8.65,5.28,;-7.31,4.51,;-5.98,5.28,;-4.65,4.51,;-4.65,2.97,;-5.98,2.2,;-7.31,2.97,;-3.31,2.2,;-1.98,2.97,;-1.98,4.51,;-.64,2.2,;.69,2.97,;2.02,2.2,;2.02,.66,;3.36,-.11,;4.69,.66,;4.69,2.2,;6.02,2.97,;7.36,2.2,;8.69,2.97,;10.03,2.2,;10.03,.66,;11.17,-.37,;10.54,-1.78,;11.31,-3.11,;9.01,-1.62,;8.69,-.11,;7.36,.66,;6.02,-.11,;7.92,-2.7,;6.44,-2.31,;5.35,-3.39,;5.75,-4.88,;7.23,-5.28,;8.32,-4.19,;9.81,-4.59,;.69,-.11,;.69,-1.65,;-.64,.66,)|

COCCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(OC)c1 |(-11.31,2.2,;-9.98,2.97,;-9.98,4.51,;-8.65,5.28,;-7.31,4.51,;-5.98,5.28,;-4.65,4.51,;-4.65,2.97,;-5.98,2.2,;-7.31,2.97,;-3.31,2.2,;-1.98,2.97,;-1.98,4.51,;-.64,2.2,;.69,2.97,;2.02,2.2,;2.02,.66,;3.36,-.11,;4.69,.66,;4.69,2.2,;6.02,2.97,;7.36,2.2,;8.69,2.97,;10.03,2.2,;10.03,.66,;11.17,-.37,;10.54,-1.78,;11.31,-3.11,;9.01,-1.62,;8.69,-.11,;7.36,.66,;6.02,-.11,;7.92,-2.7,;6.44,-2.31,;5.35,-3.39,;5.75,-4.88,;7.23,-5.28,;8.32,-4.19,;9.81,-4.59,;.69,-.11,;.69,-1.65,;2.02,-2.42,;-.64,.66,)|

COCCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2Cl)c(OC)c1 |(-11.31,2.2,;-9.98,2.97,;-9.98,4.51,;-8.65,5.28,;-7.31,4.51,;-5.98,5.28,;-4.65,4.51,;-4.65,2.97,;-5.98,2.2,;-7.31,2.97,;-3.31,2.2,;-1.98,2.97,;-1.98,4.51,;-.64,2.2,;.69,2.97,;2.02,2.2,;2.02,.66,;3.36,-.11,;4.69,.66,;4.69,2.2,;6.02,2.97,;7.36,2.2,;8.69,2.97,;10.03,2.2,;10.03,.66,;11.17,-.37,;10.54,-1.78,;11.31,-3.11,;9.01,-1.62,;8.69,-.11,;7.36,.66,;6.02,-.11,;7.92,-2.7,;6.44,-2.31,;5.35,-3.39,;5.75,-4.88,;7.23,-5.28,;8.32,-4.19,;9.81,-4.59,;.69,-.11,;.69,-1.65,;2.02,-2.42,;-.64,.66,)|

COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O

COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2ccc(OC)c(Cl)c2)cc[nH]c1=O |r|

COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

COCCN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

COCCN1CCN(CCn2ccc(Nc3ncc4-c5c(CC(C)c4n3)nn(C)c5-c3ccccc3)n2)CC1

COCCN1CCN(CCn2ccc(Nc3ncc4CCc5nn(C)c(c5-c4n3)-c3ccccc3)n2)CC1

COCCNC(=O)c1cc(F)ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)C)nc2[nH]ccc12

COCCNC(=O)c1cc2cccc(Nc3ncc4CCc5nn(C)c(Cc6ccccc6)c5-c4n3)c2s1

COCCNC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2)c(OC)c1

COCCNC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2C)c(OC)c1 |(-9.98,2.59,;-8.65,3.36,;-7.31,2.59,;-5.98,3.36,;-4.65,2.59,;-3.31,3.36,;-3.31,4.9,;-1.98,2.59,;-.64,3.36,;.69,2.59,;.69,1.05,;2.02,.28,;3.36,1.05,;3.36,2.59,;4.69,3.36,;6.02,2.59,;7.36,3.36,;8.69,2.59,;8.69,1.05,;9.84,.02,;9.21,-1.39,;9.98,-2.73,;7.68,-1.23,;7.36,.28,;6.02,1.05,;4.69,.28,;6.59,-2.32,;5.1,-1.92,;4.01,-3.01,;4.41,-4.5,;5.9,-4.9,;6.99,-3.81,;8.48,-4.21,;-.64,.28,;-.64,-1.26,;.69,-2.03,;-1.98,1.05,)|

COCCNC(=O)c1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2Cl)c(OC)c1 |(-9.98,2.59,;-8.65,3.36,;-7.31,2.59,;-5.98,3.36,;-4.65,2.59,;-3.31,3.36,;-3.31,4.9,;-1.98,2.59,;-.64,3.36,;.69,2.59,;.69,1.05,;2.02,.28,;3.36,1.05,;3.36,2.59,;4.69,3.36,;6.02,2.59,;7.36,3.36,;8.69,2.59,;8.69,1.05,;9.84,.02,;9.21,-1.39,;9.98,-2.73,;7.68,-1.23,;7.36,.28,;6.02,1.05,;4.69,.28,;6.59,-2.32,;5.1,-1.92,;4.01,-3.01,;4.41,-4.5,;5.9,-4.9,;6.99,-3.81,;8.48,-4.21,;-.64,.28,;-.64,-1.26,;.69,-2.03,;-1.98,1.05,)|

COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1

COCCOC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

COCCOC1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

COCCOCC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|

COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

COCCOc1cccc(c1)-c1cn([C@@H]2C[C@H](CN3CCC3)C2)c2ncnc(N)c12 |r,wD:14.14,16.17,(.36,11.6,;1.12,10.63,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.56,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,)|

COCCOc1cccc(c1)-c1nc(C2CCC2)n2ccnc(N)c12

COCCc1ccc(O)cc1

COCCc1ccc(OCc2cccc(c2)-c2ccc(cc2)C(=O)NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1

COCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1

COCCn1cc(Nc2ncc3CCc4nn(C)c(-c5sccc5C)c4-c3n2)cn1 |(-8.14,4.59,;-7.37,3.25,;-5.83,3.25,;-5.06,1.92,;-3.52,1.92,;-2.61,.67,;-1.15,1.15,;.18,.38,;1.52,1.15,;1.52,2.69,;2.85,3.46,;4.18,2.69,;5.52,3.46,;6.85,2.69,;6.85,1.15,;8,.12,;7.37,-1.29,;8.14,-2.62,;5.84,-1.13,;4.75,-2.22,;5.23,-3.68,;3.98,-4.59,;2.73,-3.68,;3.21,-2.22,;2.44,-.88,;5.52,.38,;4.18,1.15,;2.85,.38,;-1.15,2.69,;-2.61,3.16,)|

COCCn1cc(Nc2ncc3CCc4nn(C)c(-c5sccc5Cl)c4-c3n2)cn1 |(-8.14,4.59,;-7.37,3.25,;-5.83,3.25,;-5.06,1.92,;-3.52,1.92,;-2.61,.67,;-1.15,1.15,;.18,.38,;1.52,1.15,;1.52,2.69,;2.85,3.46,;4.18,2.69,;5.52,3.46,;6.85,2.69,;6.85,1.15,;8,.12,;7.37,-1.29,;8.14,-2.62,;5.84,-1.13,;4.75,-2.22,;5.23,-3.68,;3.98,-4.59,;2.73,-3.68,;3.21,-2.22,;2.44,-.88,;5.52,.38,;4.18,1.15,;2.85,.38,;-1.15,2.69,;-2.61,3.16,)|

COCCn1cc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5)c4-c3n2)cn1

COCCn1cc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5C)c4-c3n2)cn1

COCCn1cc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5Cl)c4-c3n2)cn1

COCCn1cc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5OC)c4-c3n2)cn1

COCCn1ccc(Nc2ncc3C(C)Cc4nn(C)c(c4-c3n2)-c2ccccc2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(-c5sccc5C)c4-c3n2)n1 |(-8.14,4.59,;-7.37,3.25,;-5.83,3.25,;-5.06,1.92,;-3.52,1.92,;-2.61,3.16,;-1.15,2.69,;-1.15,1.15,;.18,.38,;1.52,1.15,;1.52,2.69,;2.85,3.46,;4.18,2.69,;5.52,3.46,;6.85,2.69,;6.85,1.15,;8,.12,;7.37,-1.29,;8.14,-2.62,;5.84,-1.13,;4.75,-2.22,;5.23,-3.68,;3.98,-4.59,;2.73,-3.68,;3.21,-2.22,;2.44,-.88,;5.52,.38,;4.18,1.15,;2.85,.38,;-2.61,.67,)|

COCCn1ccc(Nc2ncc3CCc4nn(C)c(-c5sccc5Cl)c4-c3n2)n1 |(-8.14,4.59,;-7.37,3.25,;-5.83,3.25,;-5.06,1.92,;-3.52,1.92,;-2.61,3.16,;-1.15,2.69,;-1.15,1.15,;.18,.38,;1.52,1.15,;1.52,2.69,;2.85,3.46,;4.18,2.69,;5.52,3.46,;6.85,2.69,;6.85,1.15,;8,.12,;7.37,-1.29,;8.14,-2.62,;5.84,-1.13,;4.75,-2.22,;5.23,-3.68,;3.98,-4.59,;2.73,-3.68,;3.21,-2.22,;2.44,-.88,;5.52,.38,;4.18,1.15,;2.85,.38,;-2.61,.67,)|

COCCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(C)c5)c4-c3n2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(Cl)c5)c4-c3n2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(OC(F)F)c5)c4-c3n2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(c5)C(F)(F)F)c4-c3n2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5)c4-c3n2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5C)c4-c3n2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5Cl)c4-c3n2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5OC)c4-c3n2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(Cl)cc2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(F)cc2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(OC)cc2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2cccc(C)c2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2cccc(Cl)c2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2cccc(OC)c2)n1

COCCn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2)n1

COCCn1ccc(Nc2ncc3[C@@H](C)Cc4nn(C)c(c4-c3n2)-c2ccccc2)n1 |r|

COCCn1ccc(Nc2ncc3[C@H](C)Cc4nn(C)c(c4-c3n2)-c2ccccc2)n1 |r|

COCCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1

COCCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1Cl

COCCn1nc2CCc3cnc(Nc4ccc(cc4OC)C(=O)NC4CCN(C)CC4)nc3-c2c1C

COCCn1nc2CCc3cnc(Nc4ccc(cc4OC)C(=O)NC4CCN(C)CC4)nc3-c2c1C1CC1

COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|

COCc1c(C)c(O)c(O)c(O)c1C=O

COCc1c-2c(CCc3cnc(Nc4ccc(cc4OC)C(=O)NC4CCN(C)CC4)nc-23)nn1C

COCc1c-2c(CCc3cnc(Nc4ccccc4)nc-23)nn1C

CON(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12

CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F

CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)(F)S(C)(=O)=O)c(C(C)C)c23)c(F)cc1F

CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F

CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCC4CCCO4)c(C(C)C)c23)c(F)cc1F

CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F

CO[C@@H]1C[C@H](N(C1)c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

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|

CO[C@H]1C[C@H](N(C1)c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

CO[C@H]1C[C@H](N(C1)c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ncns1 |r|

COc1c(Br)cc(\C=C2/C(=O)Nc3ccc(Cl)cc23)cc1C(C)(C)C

COc1c(Br)cc(\C=C2/C(=O)Nc3ccccc23)cc1C(C)(C)C

COc1c(Br)cc(\C=C2/SC(=O)NC2=O)cc1Br

COc1c(C)c(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

COc1c(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)ccc(N2CCN(CC2)C(C)C)c1F

COc1cc(Br)cc(\C=C2/SC(=O)NC2=O)c1O

COc1cc(C(=O)NC2CCN(C)CC2)c(C)cc1Nc1ncc2CCc3nn(C)c(C(C)C)c3-c2n1

COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc2CCc3nn(C)c(C(C)C)c3-c2n1

COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2CCc3nn(C)c(C(C)C)c3-c2n1

COc1cc(C)c(CCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc(C)c(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C

COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(C)cc2cc(sc12)-c1cn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|

COc1cc(C)nc2N(CCc3ccccc3)CCc3c([nH]c4ccccc34)-c12

COc1cc(C=C2SC(O)=NC2=O)cc(OC)c1O |w:5.4,c:9|

COc1cc(CC(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12

COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)no4)n3)[nH]n2)cc(OC)c1

COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)on4)n3)[nH]n2)cc(OC)c1

COc1cc(CCc2cc(Nc3ccnc(NCc4ccccn4)n3)[nH]n2)cc(OC)c1

COc1cc(CN2CCOCC2)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12

COc1cc(Cl)c(OCCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2ccccc12

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C)c(n1)-c1cn(C)c2ccccc12

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cn(C)c2ccccc12

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12

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

COc1cc(N2CC(C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12

COc1cc(N2CCN(CC2)C(C)C)c(C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc(N2CCN(CC2)C(C)C)c(Cl)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc(N2CCN(CC2)C(C)C)c(F)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc(N2CCN(CC2)C(C)C)c(OC)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc(N2CC[C@H](C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 |r|

COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

COc1cc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc(c1)C(F)(F)F |w:16.16|

COc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1-c1nc2ccccc2s1

COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3cc4ccccc4cn3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3cc4ccccc4nc3C)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3ccc4[nH]ncc4c3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3ccc4c(NCC4(C)C)c3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3ccc4cn[nH]c4c3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3ccc4nc[nH]c4c3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3ccc4ncccc4c3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3ccc4nccnc4c3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3cccc(OC(F)(F)F)c3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3ccccn3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1

COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N1CCOCC1

COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1OCCCN1CCCCC1

COc1cc(Nc2nccc(Oc3cnc4ccccc4c3)n2)cc(OC)c1OC

COc1cc(Nc2nccc(n2)N(C)c2cnc3ccccc3c2)cc(OC)c1OC

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCC(=O)c2ccccc2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCCCc2ccccc2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCCc2ccccc2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc(OC)c1 |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(Cl)cc2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(cc2)-c2ccccc2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(cc2)[N+]([O-])=O)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(C)c2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(Cl)c2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(Oc3ccccc3)c2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(c2)-c2ccccc2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(c2)[N+]([O-])=O)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccccc2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccccc2C)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccccc2Cl)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)Nc2ccccc2)cc(OC)c1OC |r|

COc1cc(Nc2nccc(n2)N2CCC[C@H](C2)C(=O)NCc2ccc(C)cc2)cc(OC)c1OC |r|

COc1cc(Nc2ncnc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC

COc1cc(Nc2ncnc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC

COc1cc(Nc2ncnc3[nH]ccc23)ccc1-c1nc2ccccc2s1

COc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1

COc1cc(Nc2ncnc3nc[nH]c23)ccc1-c1nc2ccccc2s1

COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C

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(N[C@@H](C=O)C(O)=O)cc1O

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)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,)|

COc1cc(O)c2C(=O)c3c(O)c(O)c(C)cc3C(=O)c2c1

COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1

COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|

COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|

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

COc1cc(OC)c(NC(=O)Nc2cc(C)nc3cnccc23)cc1Cl

COc1cc(OC)c(NC(=O)Nc2cc(nc3ccccc23)C(F)(F)F)cc1Cl

COc1cc(OC2CCN(C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

COc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12

COc1cc(OC2CCN(CC2)C(C)=O)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12

COc1cc(OC2CCNCC2)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12

COc1cc(OC2CN(C2)C(C)=O)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12

COc1cc(OC2CNC2)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12

COc1cc(OCCCN2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2C(C)Cc3nn(C)c(C(C)C)c3-c2n1

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl |(-.13,-2.03,;-1.46,-1.26,;-1.46,.28,;-2.79,1.05,;-2.79,2.59,;-4.13,3.36,;-5.46,2.59,;-5.46,1.05,;-6.79,.28,;-8.26,.75,;-9.16,-.49,;-8.26,-1.74,;-6.79,-1.26,;-1.46,3.36,;-.13,2.59,;-.13,1.05,;1.21,.28,;2.54,1.05,;2.54,2.59,;3.88,3.36,;5.21,2.59,;6.54,3.36,;6.54,4.9,;7.88,2.59,;7.88,1.05,;9.02,.02,;8.39,-1.39,;9.16,-2.73,;6.86,-1.23,;6.54,.28,;5.21,1.05,;3.88,.28,;5.77,-2.32,;4.29,-1.92,;3.2,-3.01,;3.6,-4.5,;5.08,-4.9,;6.17,-3.81,;7.66,-4.21,)|

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C(C)C)c(C(C)C)c3-c2n1

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(-c4ccco4)c3-c2n1

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(-c4ccsc4)c3-c2n1

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(-c4occc4C)c3-c2n1 |(-.13,-1.37,;-1.46,-.6,;-1.46,.94,;-2.79,1.71,;-2.79,3.25,;-4.13,4.02,;-5.46,3.25,;-5.46,1.71,;-6.79,.94,;-8.26,1.42,;-9.16,.17,;-8.26,-1.07,;-6.79,-.6,;-1.46,4.02,;-.13,3.25,;-.13,1.71,;1.21,.94,;2.54,1.71,;2.54,3.25,;3.88,4.02,;5.21,3.25,;6.54,4.02,;7.88,3.25,;7.88,1.71,;9.02,.68,;8.39,-.72,;9.16,-2.06,;6.86,-.56,;5.77,-1.65,;6.25,-3.12,;5,-4.02,;3.76,-3.12,;4.23,-1.65,;3.46,-.32,;6.54,.94,;5.21,1.71,;3.88,.94,)|

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(C(C)c4ccccc4)c3-c2n1

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(CCc4ccccc4)c3-c2n1

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1cc(C)ccc1Cl |(-.13,-1.26,;-1.46,-.49,;-1.46,1.05,;-2.79,1.82,;-2.79,3.36,;-4.13,4.13,;-5.46,3.36,;-5.46,1.82,;-6.79,1.05,;-8.26,1.52,;-9.16,.28,;-8.26,-.97,;-6.79,-.49,;-1.46,4.13,;-.13,3.36,;-.13,1.82,;1.21,1.05,;2.54,1.82,;2.54,3.36,;3.88,4.13,;5.21,3.36,;6.54,4.13,;7.88,3.36,;7.88,1.82,;9.02,.79,;8.39,-.62,;9.16,-1.96,;6.86,-.46,;6.54,1.05,;5.21,1.82,;3.88,1.05,;5.77,-1.55,;4.29,-1.15,;3.2,-2.24,;1.71,-1.84,;3.6,-3.73,;5.08,-4.13,;6.17,-3.04,;7.66,-3.44,)|

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccc(C)cc1C |(-.13,-.92,;-1.46,-.15,;-1.46,1.39,;-2.79,2.16,;-2.79,3.7,;-4.13,4.47,;-5.46,3.7,;-5.46,2.16,;-6.79,1.39,;-8.26,1.87,;-9.16,.62,;-8.26,-.62,;-6.79,-.15,;-1.46,4.47,;-.13,3.7,;-.13,2.16,;1.21,1.39,;2.54,2.16,;2.54,3.7,;3.88,4.47,;5.21,3.7,;6.54,4.47,;7.88,3.7,;7.88,2.16,;9.02,1.13,;8.39,-.28,;9.16,-1.61,;6.86,-.12,;6.54,1.39,;5.21,2.16,;3.88,1.39,;5.77,-1.2,;4.29,-.81,;3.2,-1.89,;3.6,-3.38,;2.51,-4.47,;5.08,-3.78,;6.17,-2.69,;7.66,-3.09,)|

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccc(F)cc1Cl |(-.13,-.92,;-1.46,-.15,;-1.46,1.39,;-2.79,2.16,;-2.79,3.7,;-4.13,4.47,;-5.46,3.7,;-5.46,2.16,;-6.79,1.39,;-8.26,1.87,;-9.16,.62,;-8.26,-.62,;-6.79,-.15,;-1.46,4.47,;-.13,3.7,;-.13,2.16,;1.21,1.39,;2.54,2.16,;2.54,3.7,;3.88,4.47,;5.21,3.7,;6.54,4.47,;7.88,3.7,;7.88,2.16,;9.02,1.13,;8.39,-.28,;9.16,-1.61,;6.86,-.12,;6.54,1.39,;5.21,2.16,;3.88,1.39,;5.77,-1.2,;4.29,-.81,;3.2,-1.89,;3.6,-3.38,;2.51,-4.47,;5.08,-3.78,;6.17,-2.69,;7.66,-3.09,)|

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1cccc(C)c1Cl |(-.13,-.52,;-1.46,.25,;-1.46,1.79,;-2.79,2.56,;-2.79,4.1,;-4.13,4.87,;-5.46,4.1,;-5.46,2.56,;-6.79,1.79,;-8.26,2.27,;-9.16,1.02,;-8.26,-.23,;-6.79,.25,;-1.46,4.87,;-.13,4.1,;-.13,2.56,;1.21,1.79,;2.54,2.56,;2.54,4.1,;3.88,4.87,;5.21,4.1,;6.54,4.87,;7.88,4.1,;7.88,2.56,;9.02,1.53,;8.39,.12,;9.16,-1.21,;6.86,.28,;6.54,1.79,;5.21,2.56,;3.88,1.79,;5.77,-.81,;4.29,-.41,;3.2,-1.5,;3.6,-2.98,;5.08,-3.38,;5.48,-4.87,;6.17,-2.29,;7.66,-2.69,)|

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C |(-2.79,-1.26,;-1.46,-.49,;-1.46,1.05,;-2.79,1.82,;-2.79,3.36,;-4.13,4.13,;-5.46,3.36,;-5.46,1.82,;-6.79,1.05,;-8.26,1.52,;-9.16,.28,;-8.26,-.97,;-6.79,-.49,;-1.46,4.13,;-.13,3.36,;-.13,1.82,;1.21,1.05,;2.54,1.82,;2.54,3.36,;3.88,4.13,;5.21,3.36,;6.54,4.13,;7.88,3.36,;7.88,1.82,;9.02,.79,;8.39,-.62,;9.16,-1.96,;6.86,-.46,;6.54,1.05,;5.21,1.82,;3.88,1.05,;5.77,-1.55,;4.29,-1.15,;3.2,-2.24,;3.6,-3.73,;5.08,-4.13,;6.17,-3.04,;7.66,-3.44,)|

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl |(-.13,-1.26,;-1.46,-.49,;-1.46,1.05,;-2.79,1.82,;-2.79,3.36,;-4.13,4.13,;-5.46,3.36,;-5.46,1.82,;-6.79,1.05,;-8.26,1.52,;-9.16,.28,;-8.26,-.97,;-6.79,-.49,;-1.46,4.13,;-.13,3.36,;-.13,1.82,;1.21,1.05,;2.54,1.82,;2.54,3.36,;3.88,4.13,;5.21,3.36,;6.54,4.13,;7.88,3.36,;7.88,1.82,;9.02,.79,;8.39,-.62,;9.16,-1.96,;6.86,-.46,;6.54,1.05,;5.21,1.82,;3.88,1.05,;5.77,-1.55,;4.29,-1.15,;3.2,-2.24,;3.6,-3.73,;5.08,-4.13,;6.17,-3.04,;7.66,-3.44,)|

COc1cc(OCCN2CCCC2)ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1OC |(-2.79,-.87,;-1.46,-.1,;-1.46,1.44,;-2.79,2.21,;-2.79,3.75,;-4.13,4.52,;-5.46,3.75,;-5.46,2.21,;-6.79,1.44,;-8.26,1.92,;-9.16,.67,;-8.26,-.57,;-6.79,-.1,;-1.46,4.52,;-.13,3.75,;-.13,2.21,;1.21,1.44,;2.54,2.21,;2.54,3.75,;3.88,4.52,;5.21,3.75,;6.54,4.52,;7.88,3.75,;7.88,2.21,;9.02,1.18,;8.39,-.22,;9.16,-1.56,;6.86,-.06,;6.54,1.44,;5.21,2.21,;3.88,1.44,;5.77,-1.15,;4.29,-.75,;3.2,-1.84,;3.6,-3.33,;5.08,-3.73,;6.17,-2.64,;7.66,-3.04,;8.06,-4.52,)|

COc1cc(Oc2ccccc2)ccc1-n1c(=O)[nH]c(=O)n(-c2ccccc2)c1=O |(72.02,-7.51,;73.36,-8.28,;73.36,-9.82,;72.02,-10.6,;72.03,-12.14,;70.69,-12.91,;69.36,-12.15,;69.36,-10.61,;68.02,-9.84,;66.69,-10.61,;66.7,-12.16,;68.03,-12.92,;73.37,-12.91,;74.7,-12.13,;74.69,-10.6,;76.02,-9.82,;77.36,-10.59,;77.36,-12.13,;78.69,-9.82,;78.69,-8.28,;80.02,-7.52,;77.36,-7.5,;77.36,-5.96,;78.69,-5.19,;78.69,-3.65,;77.36,-2.88,;76.02,-3.66,;76.03,-5.2,;76.02,-8.28,;74.69,-7.52,)|

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

COc1cc(\C=C(/C#N)c2ccccn2)ccc1O

COc1cc(\C=C2/SC(=O)NC2=O)cc(CC=C)c1OC

COc1cc(\C=C2/SC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl

COc1cc(\C=C2\SC(=O)NC2=O)cc(I)c1O

COc1cc(\C=C2\SC(=O)NC2=O)ccc1OCc1ccccc1

COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(F)cc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(I)cc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1c[nH]c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCC[Si](C)(C)C)c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|

COc1cc(ccc1N(C)c1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(C)CC1

COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1cc(ncn1)-c1cn(C)c2cnccc12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1nc(-n2[nH]c(=O)c3ccccc23)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(N2CCc3ccccc23)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2cc(F)c(F)cc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2cc(F)cc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2cc[nH]c2n1)N1CCOCC1

COc1cc(ccc1Nc1nc(Nc2ccc(F)c(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(=O)NCCO)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(=O)NC[C@@H](O)CO)c2cc[nH]c2n1)N1CCN(CC1)C(C)C |r|

COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(=O)NO)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2ccc3ncccc3c2)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2ccn(C)c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2cccc3CCNc23)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2cccc3ncccc23)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2ccccc2-n2cccn2)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2ccccc2C#N)c2cc[nH]c2n1)N1CCN(CC(C)C)CC1

COc1cc(ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

COc1cc(ccc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1nc2[nH]ccc2c2nc3cccc(F)c3c(=O)n12)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1ncc(Br)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(C#N)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(C)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(C)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(C2CC2)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C#N)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)N(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)=O)n1)P(C)(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)O)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1)P(C)(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2I)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(c1)C1CCNCC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)C1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(C1)N1CCCCC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N(C)C

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCCC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCOCC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CN2CCC2)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(O)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(CC1)C1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(CCO)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCOCC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CC[C@H](C1)N(C)C |r|

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)P(C)(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)P(C)(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1)P(C)(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2c(C)cccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2c(CO)cccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2c(F)cc(F)cn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2c(F)cccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2c(N)cccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2c(OC)cccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2c(cccn12)C#N)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2cc(C)ccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2cc(CO)ccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2cc(Cl)ccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2cc(F)ccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2cc(ccn12)C#N)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2cc(ccn12)N1CCCC1)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccc(C)cn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccc(F)cn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccc(cn12)C#N)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccc(cn12)N(C)C)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C(=O)N1CCOCC1

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C(CO)CO

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCNCC1

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CC2CN(CCO)CC(C1)O2

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CC2CNCC(C1)O2

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CC2COCC(C1)N2

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC(=O)N(C)C)CC1

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)CN

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)CO

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)N(C)C

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)[C@@H](C)N |r|

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)[C@@H](C)O |r|

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)[C@H](C)N |r|

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)[C@H](C)O |r|

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(N)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)S(C)(=O)=O

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CCO)CC1

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CCS(C)(=O)=O)CC1

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNC(=O)C1

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNCC1

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCOCC1

COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(F)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(F)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(OC)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc(OC)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc(c(n1)-c1cnc2ccccn12)C(F)(F)F)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(C(C)C)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(C)CC1 |(-2.64,-3.57,;-1.31,-2.8,;-1.31,-1.26,;-2.64,-.49,;-2.64,1.05,;-1.31,1.82,;.02,1.05,;.02,-.49,;1.36,-1.26,;2.69,-.49,;2.69,1.05,;4.02,1.82,;5.36,1.05,;6.69,1.82,;6.69,3.36,;8.02,1.05,;8.02,-.49,;9.17,-1.52,;8.54,-2.93,;9.31,-4.27,;7.01,-2.77,;6.69,-1.26,;5.36,-.49,;4.02,-1.26,;5.92,-3.86,;4.43,-3.46,;3.35,-4.55,;3.74,-6.04,;5.23,-6.44,;6.32,-5.35,;7.81,-5.75,;-3.98,1.82,;-5.31,1.05,;-3.98,3.36,;-5.31,4.13,;-5.31,5.67,;-6.65,6.44,;-7.98,5.67,;-9.31,6.44,;-7.98,4.13,;-6.65,3.36,)|

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(CC1)C(C)(C)C |(1.36,-3.09,;.02,-2.32,;.02,-.78,;-1.31,-.01,;-1.31,1.53,;.02,2.3,;1.36,1.53,;1.36,-.01,;2.69,-.78,;4.02,-.01,;4.02,1.53,;5.36,2.3,;6.69,1.53,;8.02,2.3,;8.02,3.84,;9.36,1.53,;9.36,-.01,;10.5,-1.04,;9.88,-2.44,;10.65,-3.78,;8.35,-2.28,;8.02,-.78,;6.69,-.01,;5.36,-.78,;7.26,-3.37,;5.77,-2.97,;4.68,-4.06,;5.08,-5.55,;6.57,-5.95,;7.65,-4.86,;9.14,-5.26,;-2.64,2.3,;-2.64,3.84,;-3.98,1.53,;-5.31,2.3,;-5.31,3.84,;-6.65,4.61,;-7.98,3.84,;-7.98,2.3,;-6.65,1.53,;-9.31,4.61,;-10.65,5.38,;-8.54,5.95,;-10.08,3.28,)|

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(CC1)C1CCOCC1 |(2.02,-3.57,;.69,-2.8,;.69,-1.26,;-.64,-.49,;-.64,1.05,;.69,1.82,;2.02,1.05,;2.02,-.49,;3.36,-1.26,;4.69,-.49,;4.69,1.05,;6.02,1.82,;7.36,1.05,;8.69,1.82,;8.69,3.36,;10.03,1.05,;10.03,-.49,;11.17,-1.52,;10.54,-2.93,;11.31,-4.27,;9.01,-2.77,;8.69,-1.26,;7.36,-.49,;6.02,-1.26,;7.92,-3.86,;6.44,-3.46,;5.35,-4.55,;5.75,-6.04,;7.23,-6.44,;8.32,-5.35,;9.81,-5.75,;-1.98,1.82,;-1.98,3.36,;-3.31,1.05,;-4.65,1.82,;-4.65,3.36,;-5.98,4.13,;-7.31,3.36,;-7.31,1.82,;-5.98,1.05,;-8.65,4.13,;-8.65,5.67,;-9.98,6.44,;-11.31,5.67,;-11.31,4.13,;-9.98,3.36,)|

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(CC2CC2)CC1 |(2.13,-2.42,;.79,-1.65,;.79,-.11,;-.54,.66,;-.54,2.2,;.79,2.97,;2.13,2.2,;2.13,.66,;3.46,-.11,;4.79,.66,;4.79,2.2,;6.13,2.97,;7.46,2.2,;8.79,2.97,;8.79,4.51,;10.13,2.2,;10.13,.66,;11.27,-.37,;10.65,-1.78,;11.42,-3.11,;9.12,-1.62,;8.79,-.11,;7.46,.66,;6.13,-.11,;8.03,-2.7,;6.54,-2.31,;5.45,-3.39,;5.85,-4.88,;7.34,-5.28,;8.42,-4.19,;9.91,-4.59,;-1.87,2.97,;-1.87,4.51,;-3.21,2.2,;-4.54,2.97,;-4.54,4.51,;-5.88,5.28,;-7.21,4.51,;-8.54,5.28,;-9.88,4.51,;-11.42,4.51,;-10.65,3.18,;-7.21,2.97,;-5.88,2.2,)|

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(CCO)CC1 |(1.36,-2.42,;.02,-1.65,;.02,-.11,;-1.31,.66,;-1.31,2.2,;.02,2.97,;1.36,2.2,;1.36,.66,;2.69,-.11,;4.02,.66,;4.02,2.2,;5.36,2.97,;6.69,2.2,;8.02,2.97,;8.02,4.51,;9.36,2.2,;9.36,.66,;10.5,-.37,;9.88,-1.78,;10.65,-3.11,;8.35,-1.62,;8.02,-.11,;6.69,.66,;5.36,-.11,;7.26,-2.7,;5.77,-2.31,;4.68,-3.39,;5.08,-4.88,;6.57,-5.28,;7.65,-4.19,;9.14,-4.59,;-2.64,2.97,;-2.64,4.51,;-3.98,2.2,;-5.31,2.97,;-5.31,4.51,;-6.65,5.28,;-7.98,4.51,;-9.31,5.28,;-10.65,4.51,;-10.65,2.97,;-7.98,2.97,;-6.65,2.2,)|

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CN(C)C1 |(.3,-2.19,;-1.03,-1.42,;-1.03,.12,;-2.37,.89,;-2.37,2.43,;-1.03,3.2,;.3,2.43,;.3,.89,;1.63,.12,;2.97,.89,;2.97,2.43,;4.3,3.2,;5.63,2.43,;6.97,3.2,;6.97,4.74,;8.3,2.43,;8.3,.89,;9.45,-.14,;8.82,-1.55,;9.59,-2.88,;7.29,-1.39,;6.97,.12,;5.63,.89,;4.3,.12,;6.2,-2.48,;4.71,-2.08,;3.62,-3.17,;4.02,-4.66,;5.51,-5.06,;6.6,-3.97,;8.08,-4.37,;-3.7,3.2,;-3.7,4.74,;-5.04,2.43,;-6.37,3.2,;-6.77,4.68,;-8.26,4.29,;-9.59,5.06,;-7.86,2.8,)|

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)N[C@@H]1CCC(C1)C1CCOCC1 |r,wU:34.38,(2.18,-2.32,;.85,-1.55,;.85,-.01,;-.48,.76,;-.48,2.3,;.85,3.07,;2.18,2.3,;2.18,.76,;3.52,-.01,;4.85,.76,;4.85,2.3,;6.19,3.07,;7.52,2.3,;8.85,3.07,;8.85,4.61,;10.19,2.3,;10.19,.76,;11.33,-.27,;10.7,-1.67,;11.47,-3.01,;9.17,-1.51,;8.85,-.01,;7.52,.76,;6.19,-.01,;8.08,-2.6,;6.6,-2.2,;5.51,-3.29,;5.91,-4.78,;7.39,-5.18,;8.48,-4.09,;9.97,-4.49,;-1.82,3.07,;-1.82,4.61,;-3.15,2.3,;-4.48,3.07,;-4.48,4.61,;-5.95,5.09,;-6.85,3.84,;-5.95,2.6,;-8.39,3.84,;-9.16,5.18,;-10.7,5.18,;-11.47,3.84,;-10.7,2.51,;-9.16,2.51,)|

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC2CC2)CC1 |r,wU:34.38,wD:37.45,(4.13,-3.57,;2.79,-2.8,;2.79,-1.26,;1.46,-.49,;1.46,1.05,;2.79,1.82,;4.13,1.05,;4.13,-.49,;5.46,-1.26,;6.79,-.49,;6.79,1.05,;8.13,1.82,;9.46,1.05,;10.8,1.82,;10.8,3.36,;12.13,1.05,;12.13,-.49,;13.27,-1.52,;12.65,-2.93,;13.42,-4.27,;11.12,-2.77,;10.8,-1.26,;9.46,-.49,;8.13,-1.26,;10.03,-3.86,;8.54,-3.46,;7.45,-4.55,;7.85,-6.04,;9.34,-6.44,;10.43,-5.35,;11.91,-5.75,;.13,1.82,;.13,3.36,;-1.21,1.05,;-2.54,1.82,;-3.88,1.05,;-5.21,1.82,;-5.21,3.36,;-3.88,4.13,;-2.54,3.36,;-6.54,4.13,;-6.54,5.67,;-7.88,6.44,;-9.21,5.67,;-10.54,6.44,;-11.88,5.67,;-13.42,5.67,;-12.65,4.33,;-9.21,4.13,;-7.88,3.36,)|

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:37.45,wD:34.38,(2.02,-3.57,;.69,-2.8,;.69,-1.26,;-.64,-.49,;-.64,1.05,;.69,1.82,;2.02,1.05,;2.02,-.49,;3.36,-1.26,;4.69,-.49,;4.69,1.05,;6.02,1.82,;7.36,1.05,;8.69,1.82,;8.69,3.36,;10.03,1.05,;10.03,-.49,;11.17,-1.52,;10.54,-2.93,;11.31,-4.27,;9.01,-2.77,;8.69,-1.26,;7.36,-.49,;6.02,-1.26,;7.92,-3.86,;6.44,-3.46,;5.35,-4.55,;5.75,-6.04,;7.23,-6.44,;8.32,-5.35,;9.81,-5.75,;-1.98,1.82,;-1.98,3.36,;-3.31,1.05,;-4.65,1.82,;-4.65,3.36,;-5.98,4.13,;-7.31,3.36,;-7.31,1.82,;-5.98,1.05,;-8.65,4.13,;-8.65,5.67,;-9.98,6.44,;-11.31,5.67,;-11.31,4.13,;-9.98,3.36,)|

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(O)=O |(-1.98,-2.03,;-3.31,-1.26,;-3.31,.28,;-4.65,1.05,;-4.65,2.59,;-3.31,3.36,;-1.98,2.59,;-1.98,1.05,;-.64,.28,;.69,1.05,;.69,2.59,;2.02,3.36,;3.36,2.59,;4.69,3.36,;4.69,4.9,;6.02,2.59,;6.02,1.05,;7.17,.02,;6.54,-1.39,;7.31,-2.73,;5.01,-1.23,;4.69,.28,;3.36,1.05,;2.02,.28,;3.92,-2.32,;2.43,-1.92,;1.35,-3.01,;1.74,-4.5,;3.23,-4.9,;4.32,-3.81,;5.81,-4.21,;-5.98,3.36,;-5.98,4.9,;-7.31,2.59,)|

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(O)=O |(-4.65,-2.03,;-3.31,-1.26,;-3.31,.28,;-4.65,1.05,;-4.65,2.59,;-3.31,3.36,;-1.98,2.59,;-1.98,1.05,;-.64,.28,;.69,1.05,;.69,2.59,;2.02,3.36,;3.36,2.59,;4.69,3.36,;4.69,4.9,;6.02,2.59,;6.02,1.05,;7.17,.02,;6.54,-1.39,;7.31,-2.73,;5.01,-1.23,;4.69,.28,;3.36,1.05,;2.02,.28,;3.92,-2.32,;2.43,-1.92,;1.35,-3.01,;1.74,-4.5,;3.23,-4.9,;4.32,-3.81,;5.81,-4.21,;-5.98,3.36,;-5.98,4.9,;-7.31,2.59,)|

COc1cc(ccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl)N1CCN(C)CC1 |(-.64,-2.42,;-1.98,-1.65,;-1.98,-.11,;-3.31,.66,;-3.31,2.2,;-1.98,2.97,;-.64,2.2,;-.64,.66,;.69,-.11,;2.02,.66,;2.02,2.2,;3.36,2.97,;4.69,2.2,;6.02,2.97,;6.02,4.51,;7.36,2.2,;7.36,.66,;8.5,-.37,;7.88,-1.78,;8.65,-3.11,;6.34,-1.62,;6.02,-.11,;4.69,.66,;3.36,-.11,;5.26,-2.7,;3.77,-2.31,;2.68,-3.39,;3.08,-4.88,;4.57,-5.28,;5.65,-4.19,;7.14,-4.59,;-4.65,2.97,;-4.65,4.51,;-5.98,5.28,;-7.31,4.51,;-8.65,5.28,;-7.31,2.97,;-5.98,2.2,)|

COc1cc(ccc1Nc1ncc2CCCc3nn(C)c(C)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C(C)C)c(C(C)C)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(-c4ccco4)c3-c2n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(-c4ccsc4)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(-c4ccsc4)c3-c2n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(-c4occc4C)c3-c2n1)C(=O)NC1CCN(C)CC1 |(.69,-2.52,;-.64,-1.75,;-.64,-.21,;-1.98,.56,;-1.98,2.1,;-.64,2.87,;.69,2.1,;.69,.56,;2.02,-.21,;3.36,.56,;3.36,2.1,;4.69,2.87,;6.02,2.1,;7.36,2.87,;8.69,2.1,;8.69,.56,;9.84,-.47,;9.21,-1.88,;9.98,-3.21,;7.68,-1.72,;6.59,-2.81,;7.07,-4.27,;5.82,-5.18,;4.57,-4.27,;5.05,-2.81,;4.28,-1.47,;7.36,-.21,;6.02,.56,;4.69,-.21,;-3.31,2.87,;-3.31,4.41,;-4.65,2.1,;-5.98,2.87,;-5.98,4.41,;-7.31,5.18,;-8.65,4.41,;-9.98,5.18,;-8.65,2.87,;-7.31,2.1,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(-c4occc4C)c3-c2n1)N1CCN(C)CC1 |(-.64,-2.52,;-1.98,-1.75,;-1.98,-.21,;-3.31,.56,;-3.31,2.1,;-1.98,2.87,;-.64,2.1,;-.64,.56,;.69,-.21,;2.02,.56,;2.02,2.1,;3.36,2.87,;4.69,2.1,;6.02,2.87,;7.36,2.1,;7.36,.56,;8.5,-.47,;7.88,-1.88,;8.65,-3.21,;6.34,-1.72,;5.26,-2.81,;5.73,-4.27,;4.49,-5.18,;3.24,-4.27,;3.72,-2.81,;2.95,-1.47,;6.02,-.21,;4.69,.56,;3.36,-.21,;-4.65,2.87,;-4.65,4.41,;-5.98,5.18,;-7.31,4.41,;-8.65,5.18,;-7.31,2.87,;-5.98,2.1,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(-c4sccc4C)c3-c2n1)C(=O)NC1CCN(C)CC1 |(.69,-2.52,;-.64,-1.75,;-.64,-.21,;-1.98,.56,;-1.98,2.1,;-.64,2.87,;.69,2.1,;.69,.56,;2.02,-.21,;3.36,.56,;3.36,2.1,;4.69,2.87,;6.02,2.1,;7.36,2.87,;8.69,2.1,;8.69,.56,;9.84,-.47,;9.21,-1.88,;9.98,-3.21,;7.68,-1.72,;6.59,-2.81,;7.07,-4.27,;5.82,-5.18,;4.57,-4.27,;5.05,-2.81,;4.28,-1.47,;7.36,-.21,;6.02,.56,;4.69,-.21,;-3.31,2.87,;-3.31,4.41,;-4.65,2.1,;-5.98,2.87,;-5.98,4.41,;-7.31,5.18,;-8.65,4.41,;-9.98,5.18,;-8.65,2.87,;-7.31,2.1,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(-c4sccc4Cl)c3-c2n1)C(=O)NC1CCN(C)CC1 |(.69,-2.52,;-.64,-1.75,;-.64,-.21,;-1.98,.56,;-1.98,2.1,;-.64,2.87,;.69,2.1,;.69,.56,;2.02,-.21,;3.36,.56,;3.36,2.1,;4.69,2.87,;6.02,2.1,;7.36,2.87,;8.69,2.1,;8.69,.56,;9.84,-.47,;9.21,-1.88,;9.98,-3.21,;7.68,-1.72,;6.59,-2.81,;7.07,-4.27,;5.82,-5.18,;4.57,-4.27,;5.05,-2.81,;4.28,-1.47,;7.36,-.21,;6.02,.56,;4.69,-.21,;-3.31,2.87,;-3.31,4.41,;-4.65,2.1,;-5.98,2.87,;-5.98,4.41,;-7.31,5.18,;-8.65,4.41,;-9.98,5.18,;-8.65,2.87,;-7.31,2.1,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(C(C)C)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(C(C)c4ccccc4)c3-c2n1)C(O)=O

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(C(C)c4ccccc4)c3-c2n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(C)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(C4CCC4)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(C4CCC4)c3-c2n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(C4CCCC4)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(C4CCCCC4)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(C4CCOCC4)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(CC4CC4)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(CCc4ccccc4)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(CCc4ccccc4)c3-c2n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4c(Cl)cccc4Cl)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4cccc(Cl)c4)c3-c2n1)N1CCN(CC1)C(C)C

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4cccc(Cl)c4)c3-c2n1)N1CCN(CC1)C1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4cccc(Cl)c4)c3-c2n1)N1CCN(CC1)C1CCOCC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4Cl)c3-c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c([C@@H](C)c4ccccc4)c3-c2n1)N1CCN(C)CC1 |r|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c([C@H](C)c4ccccc4)c3-c2n1)N1CCN(C)CC1 |r|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1cc(C)ccc1Cl)C(=O)NC1CCN(C)CC1 |(.69,-2.42,;-.64,-1.65,;-.64,-.11,;-1.98,.66,;-1.98,2.2,;-.64,2.97,;.69,2.2,;.69,.66,;2.02,-.11,;3.36,.66,;3.36,2.2,;4.69,2.97,;6.02,2.2,;7.36,2.97,;8.69,2.2,;8.69,.66,;9.84,-.37,;9.21,-1.78,;9.98,-3.11,;7.68,-1.62,;7.36,-.11,;6.02,.66,;4.69,-.11,;6.59,-2.7,;5.1,-2.31,;4.01,-3.39,;2.53,-3,;4.41,-4.88,;5.9,-5.28,;6.99,-4.19,;8.48,-4.59,;-3.31,2.97,;-3.31,4.51,;-4.65,2.2,;-5.98,2.97,;-5.98,4.51,;-7.31,5.28,;-8.65,4.51,;-9.98,5.28,;-8.65,2.97,;-7.31,2.2,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1cc(C)ccc1Cl)N1CCN(C)CC1 |(-.64,-2.42,;-1.98,-1.65,;-1.98,-.11,;-3.31,.66,;-3.31,2.2,;-1.98,2.97,;-.64,2.2,;-.64,.66,;.69,-.11,;2.02,.66,;2.02,2.2,;3.36,2.97,;4.69,2.2,;6.02,2.97,;7.36,2.2,;7.36,.66,;8.5,-.37,;7.88,-1.78,;8.65,-3.11,;6.34,-1.62,;6.02,-.11,;4.69,.66,;3.36,-.11,;5.26,-2.7,;3.77,-2.31,;2.68,-3.39,;1.19,-3,;3.08,-4.88,;4.57,-5.28,;5.65,-4.19,;7.14,-4.59,;-4.65,2.97,;-4.65,4.51,;-5.98,5.28,;-7.31,4.51,;-8.65,5.28,;-7.31,2.97,;-5.98,2.2,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccc(C)cc1C)C(=O)NC1CCN(C)CC1 |(.69,-2.07,;-.64,-1.3,;-.64,.24,;-1.98,1.01,;-1.98,2.55,;-.64,3.32,;.69,2.55,;.69,1.01,;2.02,.24,;3.36,1.01,;3.36,2.55,;4.69,3.32,;6.02,2.55,;7.36,3.32,;8.69,2.55,;8.69,1.01,;9.84,-.02,;9.21,-1.43,;9.98,-2.76,;7.68,-1.27,;7.36,.24,;6.02,1.01,;4.69,.24,;6.59,-2.36,;5.1,-1.96,;4.01,-3.05,;4.41,-4.54,;3.32,-5.63,;5.9,-4.94,;6.99,-3.85,;8.48,-4.25,;-3.31,3.32,;-3.31,4.86,;-4.65,2.55,;-5.98,3.32,;-5.98,4.86,;-7.31,5.63,;-8.65,4.86,;-9.98,5.63,;-8.65,3.32,;-7.31,2.55,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccc(C)cc1C)N1CCN(C)CC1 |(-.64,-2.07,;-1.98,-1.3,;-1.98,.24,;-3.31,1.01,;-3.31,2.55,;-1.98,3.32,;-.64,2.55,;-.64,1.01,;.69,.24,;2.02,1.01,;2.02,2.55,;3.36,3.32,;4.69,2.55,;6.02,3.32,;7.36,2.55,;7.36,1.01,;8.5,-.02,;7.88,-1.43,;8.65,-2.76,;6.34,-1.27,;6.02,.24,;4.69,1.01,;3.36,.24,;5.26,-2.36,;3.77,-1.96,;2.68,-3.05,;3.08,-4.54,;1.99,-5.63,;4.57,-4.94,;5.65,-3.85,;7.14,-4.25,;-4.65,3.32,;-4.65,4.86,;-5.98,5.63,;-7.31,4.86,;-8.65,5.63,;-7.31,3.32,;-5.98,2.55,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccc(F)cc1Cl)C(=O)NC1CCN(C)CC1 |(.69,-2.07,;-.64,-1.3,;-.64,.24,;-1.98,1.01,;-1.98,2.55,;-.64,3.32,;.69,2.55,;.69,1.01,;2.02,.24,;3.36,1.01,;3.36,2.55,;4.69,3.32,;6.02,2.55,;7.36,3.32,;8.69,2.55,;8.69,1.01,;9.84,-.02,;9.21,-1.43,;9.98,-2.76,;7.68,-1.27,;7.36,.24,;6.02,1.01,;4.69,.24,;6.59,-2.36,;5.1,-1.96,;4.01,-3.05,;4.41,-4.54,;3.32,-5.63,;5.9,-4.94,;6.99,-3.85,;8.48,-4.25,;-3.31,3.32,;-3.31,4.86,;-4.65,2.55,;-5.98,3.32,;-5.98,4.86,;-7.31,5.63,;-8.65,4.86,;-9.98,5.63,;-8.65,3.32,;-7.31,2.55,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccc(F)cc1Cl)N1CCN(C)CC1 |(-.64,-2.07,;-1.98,-1.3,;-1.98,.24,;-3.31,1.01,;-3.31,2.55,;-1.98,3.32,;-.64,2.55,;-.64,1.01,;.69,.24,;2.02,1.01,;2.02,2.55,;3.36,3.32,;4.69,2.55,;6.02,3.32,;7.36,2.55,;7.36,1.01,;8.5,-.02,;7.88,-1.43,;8.65,-2.76,;6.34,-1.27,;6.02,.24,;4.69,1.01,;3.36,.24,;5.26,-2.36,;3.77,-1.96,;2.68,-3.05,;3.08,-4.54,;1.99,-5.63,;4.57,-4.94,;5.65,-3.85,;7.14,-4.25,;-4.65,3.32,;-4.65,4.86,;-5.98,5.63,;-7.31,4.86,;-8.65,5.63,;-7.31,3.32,;-5.98,2.55,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1cccc(C)c1Cl)C(=O)NC1CCN(C)CC1 |(.69,-1.68,;-.64,-.91,;-.64,.63,;-1.98,1.4,;-1.98,2.94,;-.64,3.71,;.69,2.94,;.69,1.4,;2.02,.63,;3.36,1.4,;3.36,2.94,;4.69,3.71,;6.02,2.94,;7.36,3.71,;8.69,2.94,;8.69,1.4,;9.84,.37,;9.21,-1.03,;9.98,-2.37,;7.68,-.87,;7.36,.63,;6.02,1.4,;4.69,.63,;6.59,-1.96,;5.1,-1.56,;4.01,-2.65,;4.41,-4.14,;5.9,-4.54,;6.3,-6.02,;6.99,-3.45,;8.48,-3.85,;-3.31,3.71,;-3.31,5.25,;-4.65,2.94,;-5.98,3.71,;-5.98,5.25,;-7.31,6.02,;-8.65,5.25,;-9.98,6.02,;-8.65,3.71,;-7.31,2.94,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1cccc(C)c1Cl)N1CCN(C)CC1 |(-.64,-1.68,;-1.98,-.91,;-1.98,.63,;-3.31,1.4,;-3.31,2.94,;-1.98,3.71,;-.64,2.94,;-.64,1.4,;.69,.63,;2.02,1.4,;2.02,2.94,;3.36,3.71,;4.69,2.94,;6.02,3.71,;7.36,2.94,;7.36,1.4,;8.5,.37,;7.88,-1.03,;8.65,-2.37,;6.34,-.87,;6.02,.63,;4.69,1.4,;3.36,.63,;5.26,-1.96,;3.77,-1.56,;2.68,-2.65,;3.08,-4.14,;4.57,-4.54,;4.96,-6.02,;5.65,-3.45,;7.14,-3.85,;-4.65,3.71,;-4.65,5.25,;-5.98,6.02,;-7.31,5.25,;-8.65,6.02,;-7.31,3.71,;-5.98,2.94,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NC1CC2CC(C)CC(C1)N2

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NC1CCN(CC1)C1CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NC1CCN(CC1)C1CCOCC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NC1CCN(CCO)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NC1CN(C)C1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NCCCN(C)C

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NCCN(C)C

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)NCCN1CCCC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)N[C@@H]1CN2CC[C@H]1CC2 |r,wU:37.43,wD:32.36,(.79,-2.42,;-.54,-1.65,;-.54,-.11,;-1.87,.66,;-1.87,2.2,;-.54,2.97,;.79,2.2,;.79,.66,;2.13,-.11,;3.46,.66,;3.46,2.2,;4.79,2.97,;6.13,2.2,;7.46,2.97,;8.79,2.2,;8.79,.66,;9.94,-.37,;9.31,-1.78,;10.08,-3.11,;7.78,-1.62,;7.46,-.11,;6.13,.66,;4.79,-.11,;6.69,-2.7,;5.2,-2.31,;4.12,-3.39,;4.51,-4.88,;6,-5.28,;7.09,-4.19,;-3.21,2.97,;-3.21,4.51,;-4.54,2.2,;-5.88,2.97,;-7.21,2.2,;-8.54,2.97,;-8.54,4.51,;-7.21,5.28,;-5.88,4.51,;-7.42,4.51,;-10.08,2.97,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC2CC2)CC1 |r,wU:32.36,wD:35.43,(4.13,-3.57,;2.79,-2.8,;2.79,-1.26,;1.46,-.49,;1.46,1.05,;2.79,1.82,;4.13,1.05,;4.13,-.49,;5.46,-1.26,;6.79,-.49,;6.79,1.05,;8.13,1.82,;9.46,1.05,;10.8,1.82,;12.13,1.05,;12.13,-.49,;13.27,-1.52,;12.65,-2.93,;13.42,-4.27,;11.12,-2.77,;10.8,-1.26,;9.46,-.49,;8.13,-1.26,;10.03,-3.86,;8.54,-3.46,;7.45,-4.55,;7.85,-6.04,;9.34,-6.44,;10.43,-5.35,;.13,1.82,;.13,3.36,;-1.21,1.05,;-2.54,1.82,;-3.88,1.05,;-5.21,1.82,;-5.21,3.36,;-3.88,4.13,;-2.54,3.36,;-6.54,4.13,;-6.54,5.67,;-7.88,6.44,;-9.21,5.67,;-10.54,6.44,;-11.88,5.67,;-13.42,5.67,;-12.65,4.33,;-9.21,4.13,;-7.88,3.36,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)N[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:35.43,wD:32.36,(2.02,-3.57,;.69,-2.8,;.69,-1.26,;-.64,-.49,;-.64,1.05,;.69,1.82,;2.02,1.05,;2.02,-.49,;3.36,-1.26,;4.69,-.49,;4.69,1.05,;6.02,1.82,;7.36,1.05,;8.69,1.82,;10.03,1.05,;10.03,-.49,;11.17,-1.52,;10.54,-2.93,;11.31,-4.27,;9.01,-2.77,;8.69,-1.26,;7.36,-.49,;6.02,-1.26,;7.92,-3.86,;6.44,-3.46,;5.35,-4.55,;5.75,-6.04,;7.23,-6.44,;8.32,-5.35,;-1.98,1.82,;-1.98,3.36,;-3.31,1.05,;-4.65,1.82,;-4.65,3.36,;-5.98,4.13,;-7.31,3.36,;-7.31,1.82,;-5.98,1.05,;-8.65,4.13,;-8.65,5.67,;-9.98,6.44,;-11.31,5.67,;-11.31,4.13,;-9.98,3.36,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)C(=O)N[C@H]1CN2CC[C@H]1CC2 |r,wU:32.36,37.43,(.79,-2.42,;-.54,-1.65,;-.54,-.11,;-1.87,.66,;-1.87,2.2,;-.54,2.97,;.79,2.2,;.79,.66,;2.13,-.11,;3.46,.66,;3.46,2.2,;4.79,2.97,;6.13,2.2,;7.46,2.97,;8.79,2.2,;8.79,.66,;9.94,-.37,;9.31,-1.78,;10.08,-3.11,;7.78,-1.62,;7.46,-.11,;6.13,.66,;4.79,-.11,;6.69,-2.7,;5.2,-2.31,;4.12,-3.39,;4.51,-4.88,;6,-5.28,;7.09,-4.19,;-3.21,2.97,;-3.21,4.51,;-4.54,2.2,;-5.88,2.97,;-7.21,2.2,;-8.54,2.97,;-8.54,4.51,;-7.21,5.28,;-5.88,4.51,;-7.42,4.51,;-10.08,2.97,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C)C(=O)NC1CCN(C)CC1 |(-2.64,-3.57,;-1.31,-2.8,;-1.31,-1.26,;-2.64,-.49,;-2.64,1.05,;-1.31,1.82,;.02,1.05,;.02,-.49,;1.36,-1.26,;2.69,-.49,;2.69,1.05,;4.02,1.82,;5.36,1.05,;6.69,1.82,;8.02,1.05,;8.02,-.49,;9.17,-1.52,;8.54,-2.93,;9.31,-4.27,;7.01,-2.77,;6.69,-1.26,;5.36,-.49,;4.02,-1.26,;5.92,-3.86,;4.43,-3.46,;3.35,-4.55,;3.74,-6.04,;5.23,-6.44,;6.32,-5.35,;7.81,-5.75,;-3.98,1.82,;-5.31,1.05,;-3.98,3.36,;-5.31,4.13,;-5.31,5.67,;-6.65,6.44,;-7.98,5.67,;-9.31,6.44,;-7.98,4.13,;-6.65,3.36,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C)C(=O)NC1CCN(CC1)C1CC1 |(1.46,-3.09,;.13,-2.32,;.13,-.78,;-1.21,-.01,;-1.21,1.53,;.13,2.3,;1.46,1.53,;1.46,-.01,;2.79,-.78,;4.13,-.01,;4.13,1.53,;5.46,2.3,;6.79,1.53,;8.13,2.3,;9.46,1.53,;9.46,-.01,;10.61,-1.04,;9.98,-2.44,;10.75,-3.78,;8.45,-2.28,;8.13,-.78,;6.79,-.01,;5.46,-.78,;7.36,-3.37,;5.87,-2.97,;4.78,-4.06,;5.18,-5.55,;6.67,-5.95,;7.76,-4.86,;9.25,-5.26,;-2.54,2.3,;-2.54,3.84,;-3.88,1.53,;-5.21,2.3,;-5.21,3.84,;-6.54,4.61,;-7.88,3.84,;-7.88,2.3,;-6.54,1.53,;-9.21,4.61,;-9.98,5.95,;-10.75,4.61,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C)C(=O)NC1CCN(CC1)C1CCOCC1 |(2.02,-3.57,;.69,-2.8,;.69,-1.26,;-.64,-.49,;-.64,1.05,;.69,1.82,;2.02,1.05,;2.02,-.49,;3.36,-1.26,;4.69,-.49,;4.69,1.05,;6.02,1.82,;7.36,1.05,;8.69,1.82,;10.03,1.05,;10.03,-.49,;11.17,-1.52,;10.54,-2.93,;11.31,-4.27,;9.01,-2.77,;8.69,-1.26,;7.36,-.49,;6.02,-1.26,;7.92,-3.86,;6.44,-3.46,;5.35,-4.55,;5.75,-6.04,;7.23,-6.44,;8.32,-5.35,;9.81,-5.75,;-1.98,1.82,;-1.98,3.36,;-3.31,1.05,;-4.65,1.82,;-4.65,3.36,;-5.98,4.13,;-7.31,3.36,;-7.31,1.82,;-5.98,1.05,;-8.65,4.13,;-8.65,5.67,;-9.98,6.44,;-11.31,5.67,;-11.31,4.13,;-9.98,3.36,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C)C(=O)NC1CCN(CCO)CC1 |(1.36,-2.42,;.02,-1.65,;.02,-.11,;-1.31,.66,;-1.31,2.2,;.02,2.97,;1.36,2.2,;1.36,.66,;2.69,-.11,;4.02,.66,;4.02,2.2,;5.36,2.97,;6.69,2.2,;8.02,2.97,;9.36,2.2,;9.36,.66,;10.5,-.37,;9.88,-1.78,;10.65,-3.11,;8.35,-1.62,;8.02,-.11,;6.69,.66,;5.36,-.11,;7.26,-2.7,;5.77,-2.31,;4.68,-3.39,;5.08,-4.88,;6.57,-5.28,;7.65,-4.19,;9.14,-4.59,;-2.64,2.97,;-2.64,4.51,;-3.98,2.2,;-5.31,2.97,;-5.31,4.51,;-6.65,5.28,;-7.98,4.51,;-9.31,5.28,;-10.65,4.51,;-10.65,2.97,;-7.98,2.97,;-6.65,2.2,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C)C(=O)NC1CN(C)C1 |(.3,-2.19,;-1.03,-1.42,;-1.03,.12,;-2.37,.89,;-2.37,2.43,;-1.03,3.2,;.3,2.43,;.3,.89,;1.63,.12,;2.97,.89,;2.97,2.43,;4.3,3.2,;5.63,2.43,;6.97,3.2,;8.3,2.43,;8.3,.89,;9.45,-.14,;8.82,-1.55,;9.59,-2.88,;7.29,-1.39,;6.97,.12,;5.63,.89,;4.3,.12,;6.2,-2.48,;4.71,-2.08,;3.62,-3.17,;4.02,-4.66,;5.51,-5.06,;6.6,-3.97,;8.08,-4.37,;-3.7,3.2,;-3.7,4.74,;-5.04,2.43,;-6.37,3.2,;-6.77,4.68,;-8.26,4.29,;-9.59,5.06,;-7.86,2.8,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C)C(=O)NCCCN(C)C |(1.36,-2.03,;.02,-1.26,;.02,.28,;-1.31,1.05,;-1.31,2.59,;.02,3.36,;1.36,2.59,;1.36,1.05,;2.69,.28,;4.02,1.05,;4.02,2.59,;5.36,3.36,;6.69,2.59,;8.02,3.36,;9.36,2.59,;9.36,1.05,;10.5,.02,;9.88,-1.39,;10.65,-2.73,;8.35,-1.23,;8.02,.28,;6.69,1.05,;5.36,.28,;7.26,-2.32,;5.77,-1.92,;4.68,-3.01,;5.08,-4.5,;6.57,-4.9,;7.65,-3.81,;9.14,-4.21,;-2.64,3.36,;-2.64,4.9,;-3.98,2.59,;-5.31,3.36,;-6.65,2.59,;-7.98,3.36,;-9.31,2.59,;-10.65,3.36,;-9.31,1.05,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C)C(=O)NCCN(C)C |(.69,-2.03,;-.64,-1.26,;-.64,.28,;-1.98,1.05,;-1.98,2.59,;-.64,3.36,;.69,2.59,;.69,1.05,;2.02,.28,;3.36,1.05,;3.36,2.59,;4.69,3.36,;6.02,2.59,;7.36,3.36,;8.69,2.59,;8.69,1.05,;9.84,.02,;9.21,-1.39,;9.98,-2.73,;7.68,-1.23,;7.36,.28,;6.02,1.05,;4.69,.28,;6.59,-2.32,;5.1,-1.92,;4.01,-3.01,;4.41,-4.5,;5.9,-4.9,;6.99,-3.81,;8.48,-4.21,;-3.31,3.36,;-3.31,4.9,;-4.65,2.59,;-5.98,3.36,;-7.31,2.59,;-8.65,3.36,;-9.98,2.59,;-8.65,4.9,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C)C(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC2CC2)CC1 |r,wU:33.37,wD:36.44,(4.13,-3.57,;2.79,-2.8,;2.79,-1.26,;1.46,-.49,;1.46,1.05,;2.79,1.82,;4.13,1.05,;4.13,-.49,;5.46,-1.26,;6.79,-.49,;6.79,1.05,;8.13,1.82,;9.46,1.05,;10.8,1.82,;12.13,1.05,;12.13,-.49,;13.27,-1.52,;12.65,-2.93,;13.42,-4.27,;11.12,-2.77,;10.8,-1.26,;9.46,-.49,;8.13,-1.26,;10.03,-3.86,;8.54,-3.46,;7.45,-4.55,;7.85,-6.04,;9.34,-6.44,;10.43,-5.35,;11.91,-5.75,;.13,1.82,;.13,3.36,;-1.21,1.05,;-2.54,1.82,;-3.88,1.05,;-5.21,1.82,;-5.21,3.36,;-3.88,4.13,;-2.54,3.36,;-6.54,4.13,;-6.54,5.67,;-7.88,6.44,;-9.21,5.67,;-10.54,6.44,;-11.88,5.67,;-13.42,5.67,;-12.65,4.33,;-9.21,4.13,;-7.88,3.36,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C)C(=O)N[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:36.44,wD:33.37,(2.02,-3.57,;.69,-2.8,;.69,-1.26,;-.64,-.49,;-.64,1.05,;.69,1.82,;2.02,1.05,;2.02,-.49,;3.36,-1.26,;4.69,-.49,;4.69,1.05,;6.02,1.82,;7.36,1.05,;8.69,1.82,;10.03,1.05,;10.03,-.49,;11.17,-1.52,;10.54,-2.93,;11.31,-4.27,;9.01,-2.77,;8.69,-1.26,;7.36,-.49,;6.02,-1.26,;7.92,-3.86,;6.44,-3.46,;5.35,-4.55,;5.75,-6.04,;7.23,-6.44,;8.32,-5.35,;9.81,-5.75,;-1.98,1.82,;-1.98,3.36,;-3.31,1.05,;-4.65,1.82,;-4.65,3.36,;-5.98,4.13,;-7.31,3.36,;-7.31,1.82,;-5.98,1.05,;-8.65,4.13,;-8.65,5.67,;-9.98,6.44,;-11.31,5.67,;-11.31,4.13,;-9.98,3.36,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C)C(O)=O |(-1.98,-2.03,;-3.31,-1.26,;-3.31,.28,;-4.65,1.05,;-4.65,2.59,;-3.31,3.36,;-1.98,2.59,;-1.98,1.05,;-.64,.28,;.69,1.05,;.69,2.59,;2.02,3.36,;3.36,2.59,;4.69,3.36,;6.02,2.59,;6.02,1.05,;7.17,.02,;6.54,-1.39,;7.31,-2.73,;5.01,-1.23,;4.69,.28,;3.36,1.05,;2.02,.28,;3.92,-2.32,;2.43,-1.92,;1.35,-3.01,;1.74,-4.5,;3.23,-4.9,;4.32,-3.81,;5.81,-4.21,;-5.98,3.36,;-5.98,4.9,;-7.31,2.59,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C)N1CCN(C)CC1 |(-3.31,-2.42,;-1.98,-1.65,;-1.98,-.11,;-3.31,.66,;-3.31,2.2,;-1.98,2.97,;-.64,2.2,;-.64,.66,;.69,-.11,;2.02,.66,;2.02,2.2,;3.36,2.97,;4.69,2.2,;6.02,2.97,;7.36,2.2,;7.36,.66,;8.5,-.37,;7.88,-1.78,;8.65,-3.11,;6.34,-1.62,;6.02,-.11,;4.69,.66,;3.36,-.11,;5.26,-2.7,;3.77,-2.31,;2.68,-3.39,;3.08,-4.88,;4.57,-5.28,;5.65,-4.19,;7.14,-4.59,;-4.65,2.97,;-4.65,4.51,;-5.98,5.28,;-7.31,4.51,;-8.65,5.28,;-7.31,2.97,;-5.98,2.2,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CC(C1)N1CCCC1 |(1.48,-3.2,;.15,-2.43,;.15,-.89,;-1.18,-.12,;-1.18,1.42,;.15,2.19,;1.48,1.42,;1.48,-.12,;2.82,-.89,;4.15,-.12,;4.15,1.42,;5.49,2.19,;6.82,1.42,;8.15,2.19,;9.49,1.42,;9.49,-.12,;10.63,-1.15,;10,-2.56,;10.77,-3.89,;8.47,-2.4,;8.15,-.89,;6.82,-.12,;5.49,-.89,;7.38,-3.49,;5.9,-3.09,;4.81,-4.18,;5.21,-5.66,;6.69,-6.06,;7.78,-4.97,;9.27,-5.37,;-2.52,2.19,;-2.52,3.73,;-3.85,1.42,;-5.18,2.19,;-5.58,3.68,;-7.07,3.28,;-6.67,1.79,;-8.4,4.05,;-8.4,5.59,;-9.87,6.06,;-10.77,4.82,;-9.87,3.57,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CC(C1)N1CCN(C)CC1 |(2.3,-3.35,;.97,-2.58,;.97,-1.04,;-.37,-.27,;-.37,1.27,;.97,2.04,;2.3,1.27,;2.3,-.27,;3.63,-1.04,;4.97,-.27,;4.97,1.27,;6.3,2.04,;7.63,1.27,;8.97,2.04,;10.3,1.27,;10.3,-.27,;11.45,-1.3,;10.82,-2.71,;11.59,-4.04,;9.29,-2.55,;8.97,-1.04,;7.63,-.27,;6.3,-1.04,;8.2,-3.63,;6.71,-3.24,;5.62,-4.32,;6.02,-5.81,;7.51,-6.21,;8.6,-5.12,;10.09,-5.52,;-1.7,2.04,;-1.7,3.58,;-3.04,1.27,;-4.37,2.04,;-4.77,3.53,;-6.26,3.13,;-5.86,1.64,;-7.59,3.9,;-7.59,5.44,;-8.92,6.21,;-10.26,5.44,;-11.59,6.21,;-10.26,3.9,;-8.92,3.13,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CC(C1)N1CCN(CCF)CC1 |(3.63,-3.35,;2.3,-2.58,;2.3,-1.04,;.97,-.27,;.97,1.27,;2.3,2.04,;3.63,1.27,;3.63,-.27,;4.97,-1.04,;6.3,-.27,;6.3,1.27,;7.63,2.04,;8.97,1.27,;10.3,2.04,;11.64,1.27,;11.64,-.27,;12.78,-1.3,;12.15,-2.71,;12.92,-4.04,;10.62,-2.55,;10.3,-1.04,;8.97,-.27,;7.63,-1.04,;9.53,-3.63,;8.05,-3.24,;6.96,-4.32,;7.36,-5.81,;8.84,-6.21,;9.93,-5.12,;11.42,-5.52,;-.37,2.04,;-.37,3.58,;-1.7,1.27,;-3.04,2.04,;-3.43,3.53,;-4.92,3.13,;-4.52,1.64,;-6.26,3.9,;-6.26,5.44,;-7.59,6.21,;-8.92,5.44,;-10.26,6.21,;-11.59,5.44,;-12.92,6.21,;-8.92,3.9,;-7.59,3.13,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CC(C1)N1CCOCC1 |(1.63,-3.35,;.3,-2.58,;.3,-1.04,;-1.03,-.27,;-1.03,1.27,;.3,2.04,;1.63,1.27,;1.63,-.27,;2.97,-1.04,;4.3,-.27,;4.3,1.27,;5.63,2.04,;6.97,1.27,;8.3,2.04,;9.63,1.27,;9.63,-.27,;10.78,-1.3,;10.15,-2.71,;10.92,-4.04,;8.62,-2.55,;8.3,-1.04,;6.97,-.27,;5.63,-1.04,;7.53,-3.63,;6.04,-3.24,;4.96,-4.32,;5.35,-5.81,;6.84,-6.21,;7.93,-5.12,;9.42,-5.52,;-2.37,2.04,;-2.37,3.58,;-3.7,1.27,;-5.04,2.04,;-5.43,3.53,;-6.92,3.13,;-6.52,1.64,;-8.26,3.9,;-8.26,5.44,;-9.59,6.21,;-10.92,5.44,;-10.92,3.9,;-9.59,3.13,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCC(CC1)N(C)C |(1.36,-3.19,;.02,-2.42,;.02,-.88,;-1.31,-.11,;-1.31,1.43,;.02,2.2,;1.36,1.43,;1.36,-.11,;2.69,-.88,;4.02,-.11,;4.02,1.43,;5.36,2.2,;6.69,1.43,;8.02,2.2,;9.36,1.43,;9.36,-.11,;10.5,-1.14,;9.88,-2.55,;10.65,-3.88,;8.35,-2.39,;8.02,-.88,;6.69,-.11,;5.36,-.88,;7.26,-3.47,;5.77,-3.08,;4.68,-4.16,;5.08,-5.65,;6.57,-6.05,;7.65,-4.96,;9.14,-5.36,;-2.64,2.2,;-2.64,3.74,;-3.98,1.43,;-5.31,2.2,;-5.31,3.74,;-6.65,4.51,;-7.98,3.74,;-7.98,2.2,;-6.65,1.43,;-9.31,4.51,;-10.65,3.74,;-9.31,6.05,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(C)CC1 |(.69,-2.42,;-.64,-1.65,;-.64,-.11,;-1.98,.66,;-1.98,2.2,;-.64,2.97,;.69,2.2,;.69,.66,;2.02,-.11,;3.36,.66,;3.36,2.2,;4.69,2.97,;6.02,2.2,;7.36,2.97,;8.69,2.2,;8.69,.66,;9.84,-.37,;9.21,-1.78,;9.98,-3.11,;7.68,-1.62,;7.36,-.11,;6.02,.66,;4.69,-.11,;6.59,-2.7,;5.1,-2.31,;4.01,-3.39,;4.41,-4.88,;5.9,-5.28,;6.99,-4.19,;8.48,-4.59,;-3.31,2.97,;-3.31,4.51,;-4.65,2.2,;-5.98,2.97,;-5.98,4.51,;-7.31,5.28,;-8.65,4.51,;-9.98,5.28,;-8.65,2.97,;-7.31,2.2,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(CC(N)=O)CC1 |(2.02,-2.42,;.69,-1.65,;.69,-.11,;-.64,.66,;-.64,2.2,;.69,2.97,;2.02,2.2,;2.02,.66,;3.36,-.11,;4.69,.66,;4.69,2.2,;6.02,2.97,;7.36,2.2,;8.69,2.97,;10.03,2.2,;10.03,.66,;11.17,-.37,;10.54,-1.78,;11.31,-3.11,;9.01,-1.62,;8.69,-.11,;7.36,.66,;6.02,-.11,;7.92,-2.7,;6.44,-2.31,;5.35,-3.39,;5.75,-4.88,;7.23,-5.28,;8.32,-4.19,;9.81,-4.59,;-1.98,2.97,;-1.98,4.51,;-3.31,2.2,;-4.65,2.97,;-4.65,4.51,;-5.98,5.28,;-7.31,4.51,;-8.65,5.28,;-9.98,4.51,;-11.31,5.28,;-9.98,2.97,;-7.31,2.97,;-5.98,2.2,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(CC1)C(C)(C)C |(1.36,-3.09,;.02,-2.32,;.02,-.78,;-1.31,-.01,;-1.31,1.53,;.02,2.3,;1.36,1.53,;1.36,-.01,;2.69,-.78,;4.02,-.01,;4.02,1.53,;5.36,2.3,;6.69,1.53,;8.02,2.3,;9.36,1.53,;9.36,-.01,;10.5,-1.04,;9.88,-2.44,;10.65,-3.78,;8.35,-2.28,;8.02,-.78,;6.69,-.01,;5.36,-.78,;7.26,-3.37,;5.77,-2.97,;4.68,-4.06,;5.08,-5.55,;6.57,-5.95,;7.65,-4.86,;9.14,-5.26,;-2.64,2.3,;-2.64,3.84,;-3.98,1.53,;-5.31,2.3,;-5.31,3.84,;-6.65,4.61,;-7.98,3.84,;-7.98,2.3,;-6.65,1.53,;-9.31,4.61,;-10.65,5.38,;-8.54,5.95,;-10.08,3.28,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(CC1)C1CC1 |(1.46,-3.09,;.13,-2.32,;.13,-.78,;-1.21,-.01,;-1.21,1.53,;.13,2.3,;1.46,1.53,;1.46,-.01,;2.79,-.78,;4.13,-.01,;4.13,1.53,;5.46,2.3,;6.79,1.53,;8.13,2.3,;9.46,1.53,;9.46,-.01,;10.61,-1.04,;9.98,-2.44,;10.75,-3.78,;8.45,-2.28,;8.13,-.78,;6.79,-.01,;5.46,-.78,;7.36,-3.37,;5.87,-2.97,;4.78,-4.06,;5.18,-5.55,;6.67,-5.95,;7.76,-4.86,;9.25,-5.26,;-2.54,2.3,;-2.54,3.84,;-3.88,1.53,;-5.21,2.3,;-5.21,3.84,;-6.54,4.61,;-7.88,3.84,;-7.88,2.3,;-6.54,1.53,;-9.21,4.61,;-9.98,5.95,;-10.75,4.61,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(CC1)C1CCOCC1 |(2.02,-3.57,;.69,-2.8,;.69,-1.26,;-.64,-.49,;-.64,1.05,;.69,1.82,;2.02,1.05,;2.02,-.49,;3.36,-1.26,;4.69,-.49,;4.69,1.05,;6.02,1.82,;7.36,1.05,;8.69,1.82,;10.03,1.05,;10.03,-.49,;11.17,-1.52,;10.54,-2.93,;11.31,-4.27,;9.01,-2.77,;8.69,-1.26,;7.36,-.49,;6.02,-1.26,;7.92,-3.86,;6.44,-3.46,;5.35,-4.55,;5.75,-6.04,;7.23,-6.44,;8.32,-5.35,;9.81,-5.75,;-1.98,1.82,;-1.98,3.36,;-3.31,1.05,;-4.65,1.82,;-4.65,3.36,;-5.98,4.13,;-7.31,3.36,;-7.31,1.82,;-5.98,1.05,;-8.65,4.13,;-8.65,5.67,;-9.98,6.44,;-11.31,5.67,;-11.31,4.13,;-9.98,3.36,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(CC2CC2)CC1 |(2.13,-2.42,;.79,-1.65,;.79,-.11,;-.54,.66,;-.54,2.2,;.79,2.97,;2.13,2.2,;2.13,.66,;3.46,-.11,;4.79,.66,;4.79,2.2,;6.13,2.97,;7.46,2.2,;8.79,2.97,;10.13,2.2,;10.13,.66,;11.27,-.37,;10.65,-1.78,;11.42,-3.11,;9.12,-1.62,;8.79,-.11,;7.46,.66,;6.13,-.11,;8.03,-2.7,;6.54,-2.31,;5.45,-3.39,;5.85,-4.88,;7.34,-5.28,;8.42,-4.19,;9.91,-4.59,;-1.87,2.97,;-1.87,4.51,;-3.21,2.2,;-4.54,2.97,;-5.88,2.2,;-7.21,2.97,;-7.21,4.51,;-8.54,5.28,;-9.88,4.51,;-11.42,4.51,;-10.65,3.18,;-5.88,5.28,;-4.54,4.51,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(CCO)CC1 |(2.02,-2.42,;.69,-1.65,;.69,-.11,;-.64,.66,;-.64,2.2,;.69,2.97,;2.02,2.2,;2.02,.66,;3.36,-.11,;4.69,.66,;4.69,2.2,;6.02,2.97,;7.36,2.2,;8.69,2.97,;10.03,2.2,;10.03,.66,;11.17,-.37,;10.54,-1.78,;11.31,-3.11,;9.01,-1.62,;8.69,-.11,;7.36,.66,;6.02,-.11,;7.92,-2.7,;6.44,-2.31,;5.35,-3.39,;5.75,-4.88,;7.23,-5.28,;8.32,-4.19,;9.81,-4.59,;-1.98,2.97,;-1.98,4.51,;-3.31,2.2,;-4.65,2.97,;-4.65,4.51,;-5.98,5.28,;-7.31,4.51,;-8.65,5.28,;-9.98,4.51,;-11.31,5.28,;-7.31,2.97,;-5.98,2.2,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(Cc2ccccc2)CC1 |(2.69,-2.42,;1.36,-1.65,;1.36,-.11,;.02,.66,;.02,2.2,;1.36,2.97,;2.69,2.2,;2.69,.66,;4.02,-.11,;5.36,.66,;5.36,2.2,;6.69,2.97,;8.02,2.2,;9.36,2.97,;10.69,2.2,;10.69,.66,;11.84,-.37,;11.21,-1.78,;11.98,-3.11,;9.68,-1.62,;9.36,-.11,;8.02,.66,;6.69,-.11,;8.59,-2.7,;7.1,-2.31,;6.01,-3.39,;6.41,-4.88,;7.9,-5.28,;8.99,-4.19,;10.48,-4.59,;-1.31,2.97,;-1.31,4.51,;-2.64,2.2,;-3.98,2.97,;-3.98,4.51,;-5.31,5.28,;-6.65,4.51,;-7.98,5.28,;-9.31,4.51,;-10.65,5.28,;-11.98,4.51,;-11.98,2.97,;-10.65,2.2,;-9.31,2.97,;-6.65,2.97,;-5.31,2.2,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(Cc2cccnc2)CC1 |(2.69,-2.42,;1.36,-1.65,;1.36,-.11,;.02,.66,;.02,2.2,;1.36,2.97,;2.69,2.2,;2.69,.66,;4.02,-.11,;5.36,.66,;5.36,2.2,;6.69,2.97,;8.02,2.2,;9.36,2.97,;10.69,2.2,;10.69,.66,;11.84,-.37,;11.21,-1.78,;11.98,-3.11,;9.68,-1.62,;9.36,-.11,;8.02,.66,;6.69,-.11,;8.59,-2.7,;7.1,-2.31,;6.01,-3.39,;6.41,-4.88,;7.9,-5.28,;8.99,-4.19,;10.48,-4.59,;-1.31,2.97,;-1.31,4.51,;-2.64,2.2,;-3.98,2.97,;-5.31,2.2,;-6.65,2.97,;-6.65,4.51,;-7.98,5.28,;-9.31,4.51,;-9.31,2.97,;-10.65,2.2,;-11.98,2.97,;-11.98,4.51,;-10.65,5.28,;-5.31,5.28,;-3.98,4.51,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CCN(Cc2ccncc2)CC1 |(2.69,-2.42,;1.36,-1.65,;1.36,-.11,;.02,.66,;.02,2.2,;1.36,2.97,;2.69,2.2,;2.69,.66,;4.02,-.11,;5.36,.66,;5.36,2.2,;6.69,2.97,;8.02,2.2,;9.36,2.97,;10.69,2.2,;10.69,.66,;11.84,-.37,;11.21,-1.78,;11.98,-3.11,;9.68,-1.62,;9.36,-.11,;8.02,.66,;6.69,-.11,;8.59,-2.7,;7.1,-2.31,;6.01,-3.39,;6.41,-4.88,;7.9,-5.28,;8.99,-4.19,;10.48,-4.59,;-1.31,2.97,;-1.31,4.51,;-2.64,2.2,;-3.98,2.97,;-5.31,2.2,;-6.65,2.97,;-6.65,4.51,;-7.98,5.28,;-9.31,4.51,;-10.65,5.28,;-11.98,4.51,;-11.98,2.97,;-10.65,2.2,;-9.31,2.97,;-5.31,5.28,;-3.98,4.51,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NC1CN(C)C1 |(.3,-2.19,;-1.03,-1.42,;-1.03,.12,;-2.37,.89,;-2.37,2.43,;-1.03,3.2,;.3,2.43,;.3,.89,;1.63,.12,;2.97,.89,;2.97,2.43,;4.3,3.2,;5.63,2.43,;6.97,3.2,;8.3,2.43,;8.3,.89,;9.45,-.14,;8.82,-1.55,;9.59,-2.88,;7.29,-1.39,;6.97,.12,;5.63,.89,;4.3,.12,;6.2,-2.48,;4.71,-2.08,;3.62,-3.17,;4.02,-4.66,;5.51,-5.06,;6.6,-3.97,;8.08,-4.37,;-3.7,3.2,;-3.7,4.74,;-5.04,2.43,;-6.37,3.2,;-6.77,4.68,;-8.26,4.29,;-9.59,5.06,;-7.86,2.8,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NCC(=O)N1CCN(C)CC1 |(.02,-2.03,;-1.31,-1.26,;-1.31,.28,;-2.64,1.05,;-2.64,2.59,;-1.31,3.36,;.02,2.59,;.02,1.05,;1.36,.28,;2.69,1.05,;2.69,2.59,;4.02,3.36,;5.36,2.59,;6.69,3.36,;8.02,2.59,;8.02,1.05,;9.17,.02,;8.54,-1.39,;9.31,-2.73,;7.01,-1.23,;6.69,.28,;5.36,1.05,;4.02,.28,;5.92,-2.32,;4.43,-1.92,;3.35,-3.01,;3.74,-4.5,;5.23,-4.9,;6.32,-3.81,;7.81,-4.21,;-3.98,3.36,;-3.98,4.9,;-5.31,2.59,;-6.65,3.36,;-7.98,2.59,;-9.31,3.36,;-7.98,1.05,;-9.31,.28,;-9.31,-1.26,;-7.98,-2.03,;-7.98,-3.57,;-6.65,-1.26,;-6.65,.28,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NCC(C)(C)CN(C)C |(.02,-2.03,;-1.31,-1.26,;-1.31,.28,;-2.64,1.05,;-2.64,2.59,;-1.31,3.36,;.02,2.59,;.02,1.05,;1.36,.28,;2.69,1.05,;2.69,2.59,;4.02,3.36,;5.36,2.59,;6.69,3.36,;8.02,2.59,;8.02,1.05,;9.17,.02,;8.54,-1.39,;9.31,-2.73,;7.01,-1.23,;6.69,.28,;5.36,1.05,;4.02,.28,;5.92,-2.32,;4.43,-1.92,;3.35,-3.01,;3.74,-4.5,;5.23,-4.9,;6.32,-3.81,;7.81,-4.21,;-3.98,3.36,;-3.98,4.9,;-5.31,2.59,;-5.31,1.05,;-6.65,.28,;-7.42,1.61,;-5.88,-1.06,;-7.98,-.49,;-7.98,-2.03,;-9.31,-2.8,;-6.65,-2.8,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NCC1CCN(C)CC1 |(1.36,-2.03,;.02,-1.26,;.02,.28,;-1.31,1.05,;-1.31,2.59,;.02,3.36,;1.36,2.59,;1.36,1.05,;2.69,.28,;4.02,1.05,;4.02,2.59,;5.36,3.36,;6.69,2.59,;8.02,3.36,;9.36,2.59,;9.36,1.05,;10.5,.02,;9.88,-1.39,;10.65,-2.73,;8.35,-1.23,;8.02,.28,;6.69,1.05,;5.36,.28,;7.26,-2.32,;5.77,-1.92,;4.68,-3.01,;5.08,-4.5,;6.57,-4.9,;7.65,-3.81,;9.14,-4.21,;-2.64,3.36,;-2.64,4.9,;-3.98,2.59,;-5.31,3.36,;-6.65,2.59,;-7.98,3.36,;-9.31,2.59,;-9.31,1.05,;-10.65,.28,;-7.98,.28,;-6.65,1.05,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NCCCN(C)C |(.69,-2.03,;-.64,-1.26,;-.64,.28,;-1.98,1.05,;-1.98,2.59,;-.64,3.36,;.69,2.59,;.69,1.05,;2.02,.28,;3.36,1.05,;3.36,2.59,;4.69,3.36,;6.02,2.59,;7.36,3.36,;8.69,2.59,;8.69,1.05,;9.84,.02,;9.21,-1.39,;9.98,-2.73,;7.68,-1.23,;7.36,.28,;6.02,1.05,;4.69,.28,;6.59,-2.32,;5.1,-1.92,;4.01,-3.01,;4.41,-4.5,;5.9,-4.9,;6.99,-3.81,;8.48,-4.21,;-3.31,3.36,;-3.31,4.9,;-4.65,2.59,;-5.98,3.36,;-7.31,2.59,;-7.31,1.05,;-8.65,.28,;-8.65,-1.26,;-9.98,1.05,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NCCN(C)C |(.69,-2.03,;-.64,-1.26,;-.64,.28,;-1.98,1.05,;-1.98,2.59,;-.64,3.36,;.69,2.59,;.69,1.05,;2.02,.28,;3.36,1.05,;3.36,2.59,;4.69,3.36,;6.02,2.59,;7.36,3.36,;8.69,2.59,;8.69,1.05,;9.84,.02,;9.21,-1.39,;9.98,-2.73,;7.68,-1.23,;7.36,.28,;6.02,1.05,;4.69,.28,;6.59,-2.32,;5.1,-1.92,;4.01,-3.01,;4.41,-4.5,;5.9,-4.9,;6.99,-3.81,;8.48,-4.21,;-3.31,3.36,;-3.31,4.9,;-4.65,2.59,;-5.98,3.36,;-7.31,2.59,;-8.65,3.36,;-9.98,2.59,;-8.65,4.9,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)NCCN1CCOCC1 |(1.36,-2.42,;.02,-1.65,;.02,-.11,;-1.31,.66,;-1.31,2.2,;.02,2.97,;1.36,2.2,;1.36,.66,;2.69,-.11,;4.02,.66,;4.02,2.2,;5.36,2.97,;6.69,2.2,;8.02,2.97,;9.36,2.2,;9.36,.66,;10.5,-.37,;9.88,-1.78,;10.65,-3.11,;8.35,-1.62,;8.02,-.11,;6.69,.66,;5.36,-.11,;7.26,-2.7,;5.77,-2.31,;4.68,-3.39,;5.08,-4.88,;6.57,-5.28,;7.65,-4.19,;9.14,-4.59,;-2.64,2.97,;-2.64,4.51,;-3.98,2.2,;-5.31,2.97,;-6.65,2.2,;-7.98,2.97,;-7.98,4.51,;-9.31,5.28,;-10.65,4.51,;-10.65,2.97,;-9.31,2.2,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)N[C@@H]1CCN(C1)C1CCN(C)CC1 |r,wU:33.37,(2.95,-2.32,;1.62,-1.55,;1.62,-.01,;.29,.76,;.29,2.3,;1.62,3.07,;2.95,2.3,;2.95,.76,;4.29,-.01,;5.62,.76,;5.62,2.3,;6.96,3.07,;8.29,2.3,;9.62,3.07,;10.96,2.3,;10.96,.76,;12.1,-.27,;11.47,-1.67,;12.24,-3.01,;9.94,-1.51,;9.62,-.01,;8.29,.76,;6.96,-.01,;8.85,-2.6,;7.37,-2.2,;6.28,-3.29,;6.68,-4.78,;8.16,-5.18,;9.25,-4.09,;10.74,-4.49,;-1.05,3.07,;-1.05,4.61,;-2.38,2.3,;-3.71,3.07,;-3.71,4.61,;-5.18,5.09,;-6.08,3.84,;-5.18,2.6,;-7.62,3.84,;-8.39,5.18,;-9.93,5.18,;-10.7,3.84,;-12.24,3.84,;-9.93,2.51,;-8.39,2.51,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)N[C@@H]1CCN(C1)C1CCOCC1 |r,wU:33.37,(2.18,-2.32,;.85,-1.55,;.85,-.01,;-.48,.76,;-.48,2.3,;.85,3.07,;2.18,2.3,;2.18,.76,;3.52,-.01,;4.85,.76,;4.85,2.3,;6.19,3.07,;7.52,2.3,;8.85,3.07,;10.19,2.3,;10.19,.76,;11.33,-.27,;10.7,-1.67,;11.47,-3.01,;9.17,-1.51,;8.85,-.01,;7.52,.76,;6.19,-.01,;8.08,-2.6,;6.6,-2.2,;5.51,-3.29,;5.91,-4.78,;7.39,-5.18,;8.48,-4.09,;9.97,-4.49,;-1.82,3.07,;-1.82,4.61,;-3.15,2.3,;-4.48,3.07,;-4.48,4.61,;-5.95,5.09,;-6.85,3.84,;-5.95,2.6,;-8.39,3.84,;-9.16,5.18,;-10.7,5.18,;-11.47,3.84,;-10.7,2.51,;-9.16,2.51,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)N[C@H]1CCCN(C1)C1CCOCC1 |r,wD:33.37,(2.02,-2.42,;.69,-1.65,;.69,-.11,;-.64,.66,;-.64,2.2,;.69,2.97,;2.02,2.2,;2.02,.66,;3.36,-.11,;4.69,.66,;4.69,2.2,;6.02,2.97,;7.36,2.2,;8.69,2.97,;10.03,2.2,;10.03,.66,;11.17,-.37,;10.54,-1.78,;11.31,-3.11,;9.01,-1.62,;8.69,-.11,;7.36,.66,;6.02,-.11,;7.92,-2.7,;6.44,-2.31,;5.35,-3.39,;5.75,-4.88,;7.23,-5.28,;8.32,-4.19,;9.81,-4.59,;-1.98,2.97,;-1.98,4.51,;-3.31,2.2,;-4.65,2.97,;-4.65,4.51,;-5.98,5.28,;-7.31,4.51,;-7.31,2.97,;-5.98,2.2,;-8.65,2.2,;-9.98,2.97,;-11.31,2.2,;-11.31,.66,;-9.98,-.11,;-8.65,.66,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC2CC2)CC1 |r,wU:33.37,wD:36.44,(4.13,-3.57,;2.79,-2.8,;2.79,-1.26,;1.46,-.49,;1.46,1.05,;2.79,1.82,;4.13,1.05,;4.13,-.49,;5.46,-1.26,;6.79,-.49,;6.79,1.05,;8.13,1.82,;9.46,1.05,;10.8,1.82,;12.13,1.05,;12.13,-.49,;13.27,-1.52,;12.65,-2.93,;13.42,-4.27,;11.12,-2.77,;10.8,-1.26,;9.46,-.49,;8.13,-1.26,;10.03,-3.86,;8.54,-3.46,;7.45,-4.55,;7.85,-6.04,;9.34,-6.44,;10.43,-5.35,;11.91,-5.75,;.13,1.82,;.13,3.36,;-1.21,1.05,;-2.54,1.82,;-3.88,1.05,;-5.21,1.82,;-5.21,3.36,;-3.88,4.13,;-2.54,3.36,;-6.54,4.13,;-6.54,5.67,;-7.88,6.44,;-9.21,5.67,;-10.54,6.44,;-11.88,5.67,;-13.42,5.67,;-12.65,4.33,;-9.21,4.13,;-7.88,3.36,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:36.44,wD:33.37,(2.02,-3.57,;.69,-2.8,;.69,-1.26,;-.64,-.49,;-.64,1.05,;.69,1.82,;2.02,1.05,;2.02,-.49,;3.36,-1.26,;4.69,-.49,;4.69,1.05,;6.02,1.82,;7.36,1.05,;8.69,1.82,;10.03,1.05,;10.03,-.49,;11.17,-1.52,;10.54,-2.93,;11.31,-4.27,;9.01,-2.77,;8.69,-1.26,;7.36,-.49,;6.02,-1.26,;7.92,-3.86,;6.44,-3.46,;5.35,-4.55,;5.75,-6.04,;7.23,-6.44,;8.32,-5.35,;9.81,-5.75,;-1.98,1.82,;-1.98,3.36,;-3.31,1.05,;-4.65,1.82,;-4.65,3.36,;-5.98,4.13,;-7.31,3.36,;-7.31,1.82,;-5.98,1.05,;-8.65,4.13,;-8.65,5.67,;-9.98,6.44,;-11.31,5.67,;-11.31,4.13,;-9.98,3.36,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(O)=O |(-1.98,-2.03,;-3.31,-1.26,;-3.31,.28,;-4.65,1.05,;-4.65,2.59,;-3.31,3.36,;-1.98,2.59,;-1.98,1.05,;-.64,.28,;.69,1.05,;.69,2.59,;2.02,3.36,;3.36,2.59,;4.69,3.36,;6.02,2.59,;6.02,1.05,;7.17,.02,;6.54,-1.39,;7.31,-2.73,;5.01,-1.23,;4.69,.28,;3.36,1.05,;2.02,.28,;3.92,-2.32,;2.43,-1.92,;1.35,-3.01,;1.74,-4.5,;3.23,-4.9,;4.32,-3.81,;5.81,-4.21,;-5.98,3.36,;-5.98,4.9,;-7.31,2.59,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)N1CCN(C)CC1 |(-.64,-2.42,;-1.98,-1.65,;-1.98,-.11,;-3.31,.66,;-3.31,2.2,;-1.98,2.97,;-.64,2.2,;-.64,.66,;.69,-.11,;2.02,.66,;2.02,2.2,;3.36,2.97,;4.69,2.2,;6.02,2.97,;7.36,2.2,;7.36,.66,;8.5,-.37,;7.88,-1.78,;8.65,-3.11,;6.34,-1.62,;6.02,-.11,;4.69,.66,;3.36,-.11,;5.26,-2.7,;3.77,-2.31,;2.68,-3.39,;3.08,-4.88,;4.57,-5.28,;5.65,-4.19,;7.14,-4.59,;-4.65,2.97,;-4.65,4.51,;-5.98,5.28,;-7.31,4.51,;-8.65,5.28,;-7.31,2.97,;-5.98,2.2,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)N1CCN(CC1)C(C)=O |(.02,-3.19,;-1.31,-2.42,;-1.31,-.88,;-2.64,-.11,;-2.64,1.43,;-1.31,2.2,;.02,1.43,;.02,-.11,;1.36,-.88,;2.69,-.11,;2.69,1.43,;4.02,2.2,;5.36,1.43,;6.69,2.2,;8.02,1.43,;8.02,-.11,;9.17,-1.14,;8.54,-2.55,;9.31,-3.88,;7.01,-2.39,;6.69,-.88,;5.36,-.11,;4.02,-.88,;5.92,-3.47,;4.43,-3.08,;3.35,-4.16,;3.74,-5.65,;5.23,-6.05,;6.32,-4.96,;7.81,-5.36,;-3.98,2.2,;-3.98,3.74,;-5.31,4.51,;-6.65,3.74,;-6.65,2.2,;-5.31,1.43,;-7.98,4.51,;-7.98,6.05,;-9.31,3.74,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1OC)C(=O)NC1CCN(C)CC1 |(-2.64,-3.18,;-1.31,-2.41,;-1.31,-.87,;-2.64,-.1,;-2.64,1.44,;-1.31,2.21,;.02,1.44,;.02,-.1,;1.36,-.87,;2.69,-.1,;2.69,1.44,;4.02,2.21,;5.36,1.44,;6.69,2.21,;8.02,1.44,;8.02,-.1,;9.17,-1.13,;8.54,-2.53,;9.31,-3.87,;7.01,-2.37,;6.69,-.87,;5.36,-.1,;4.02,-.87,;5.92,-3.46,;4.43,-3.06,;3.35,-4.15,;3.74,-5.64,;5.23,-6.04,;6.32,-4.95,;7.81,-5.35,;8.21,-6.83,;-3.98,2.21,;-5.31,1.44,;-3.98,3.75,;-5.31,4.52,;-5.31,6.06,;-6.65,6.83,;-7.98,6.06,;-9.31,6.83,;-7.98,4.52,;-6.65,3.75,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1OC)N1CCN(C)CC1 |(-3.31,-2.02,;-1.98,-1.25,;-1.98,.29,;-3.31,1.06,;-3.31,2.6,;-1.98,3.37,;-.64,2.6,;-.64,1.06,;.69,.29,;2.02,1.06,;2.02,2.6,;3.36,3.37,;4.69,2.6,;6.02,3.37,;7.36,2.6,;7.36,1.06,;8.5,.03,;7.88,-1.38,;8.65,-2.71,;6.34,-1.22,;6.02,.29,;4.69,1.06,;3.36,.29,;5.26,-2.31,;3.77,-1.91,;2.68,-3,;3.08,-4.48,;4.57,-4.88,;5.65,-3.79,;7.14,-4.19,;7.54,-5.68,;-4.65,3.37,;-4.65,4.91,;-5.98,5.68,;-7.31,4.91,;-8.65,5.68,;-7.31,3.37,;-5.98,2.6,)|

COc1cc(ccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)C(C)(C)C)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCCC1

COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCCCC1

COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCOCC1

COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CC[C@@H](F)C1 |r|

COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1C[C@H](C)O[C@H](C)C1 |r|

COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2c(C)nccc12)N1CCN(C)CC1

COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnc(C)cc12)N1CCN(C)CC1

COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(C)CC1

COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O

COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2c(C)nccc12)N1CCN(C)CC1

COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1

COc1cc(ccc1Nc1nccc(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O

COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(COC[C@@H](O)CO)ccn1 |r|

COc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2ccccc2)c1=O

COc1cc(nc2c(F)c(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:16.17,18.22,(3.57,-35.88,;3.58,-37.43,;4.91,-38.2,;6.24,-37.43,;7.58,-38.19,;7.58,-39.74,;6.24,-40.51,;6.25,-42.05,;7.59,-42.81,;4.92,-42.82,;3.58,-42.06,;3.58,-40.51,;4.91,-39.74,;4.93,-44.37,;6.18,-45.27,;5.71,-46.73,;6.63,-47.98,;6.39,-49.5,;7.91,-49.73,;8.15,-48.21,;8.82,-50.97,;8.2,-52.38,;9.1,-53.62,;10.64,-53.46,;11.54,-54.7,;11.26,-52.05,;10.35,-50.79,;4.17,-46.74,;3.15,-47.89,;1.65,-47.56,;1.17,-46.1,;2.2,-44.96,;1.73,-43.5,;3.7,-45.28,;8.9,-37.42,;10.24,-38.19,;11.57,-37.41,;11.57,-35.87,;10.22,-35.1,;8.9,-35.88,)|

COc1cc(nc2c(F)c(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:18.21,16.17,wD:18.20,(47.77,-1.38,;47.77,-2.92,;49.1,-3.69,;50.43,-2.92,;51.77,-3.68,;51.78,-5.24,;50.44,-6.01,;50.44,-7.54,;51.78,-8.31,;49.12,-8.32,;47.77,-7.55,;47.77,-6.01,;49.1,-5.24,;49.13,-9.86,;50.38,-10.76,;49.91,-12.23,;50.82,-13.47,;52.34,-13.7,;52.1,-15.22,;53.59,-15.62,;52.5,-16.71,;50.59,-14.99,;48.37,-12.24,;47.35,-13.38,;45.84,-13.06,;45.37,-11.6,;46.4,-10.46,;45.92,-8.99,;47.89,-10.77,;53.1,-2.91,;54.44,-3.68,;55.77,-2.9,;55.76,-1.36,;54.41,-.6,;53.09,-1.37,)|

COc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:15.16,17.21,(22.07,-17.53,;22.08,-19.07,;23.41,-19.84,;24.74,-19.07,;26.08,-19.83,;26.08,-21.38,;24.74,-22.16,;24.75,-23.69,;23.42,-24.47,;22.08,-23.7,;22.08,-22.16,;23.41,-21.39,;23.43,-26.01,;24.68,-26.91,;24.22,-28.38,;25.13,-29.62,;24.89,-31.14,;26.41,-31.37,;26.65,-29.85,;27.32,-32.61,;26.7,-34.02,;27.6,-35.26,;29.14,-35.1,;30.04,-36.35,;29.76,-33.69,;28.85,-32.44,;22.67,-28.39,;21.65,-29.53,;20.15,-29.21,;19.67,-27.74,;20.7,-26.61,;20.23,-25.14,;22.2,-26.92,;27.4,-19.06,;28.74,-19.83,;30.07,-19.05,;30.07,-17.51,;28.72,-16.74,;27.4,-17.52,)|

COc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.20,15.16,wD:17.19,(2.3,-.85,;2.3,-2.39,;3.63,-3.16,;4.96,-2.39,;6.3,-3.15,;6.31,-4.71,;4.97,-5.48,;4.97,-7.01,;3.65,-7.79,;2.3,-7.02,;2.3,-5.48,;3.63,-4.71,;3.66,-9.33,;4.91,-10.23,;4.44,-11.7,;5.35,-12.94,;6.87,-13.17,;6.63,-14.69,;8.12,-15.09,;7.03,-16.18,;5.12,-14.46,;2.9,-11.71,;1.88,-12.85,;.37,-12.53,;-.11,-11.07,;.93,-9.93,;.45,-8.46,;2.42,-10.25,;7.63,-2.38,;8.97,-3.15,;10.3,-2.38,;10.29,-.83,;8.94,-.07,;7.62,-.85,)|

COc1cc2CCCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(N2CCc3ccccc23)c2cc[nH]c2n1

COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccnc2C(N)=O)c2cc[nH]c2n1

COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccoc2C(N)=O)c2cc[nH]c2n1

COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1

COc1cc2CCCN(C(=O)CN3CCCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CCN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CCN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(N2CCc3ccccc23)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc3CNC(=O)c23)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccnc2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccoc2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN3CCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN3CCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)CN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(=O)Cn3ccnc3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2CCN(CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1

COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N

COc1cc2c(Nc3ccc(Sc4ccccn4)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N

COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C(C)C)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N

COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)c(Br)c3)c(cnc2cc1NCCCN(C)C)C#N

COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N

COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)cc3)c(cnc2cc1NCCCN(C)C)C#N

COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4Cc4ccccc4)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N

COc1cc2c(Nc3ccc(Sc4ncc(C)n4C)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N

COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1N(C)CCCN(C)C)C#N

COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1N1CCN(C)CC1)C#N

COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N

COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN(C)CCO)C#N

COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCCC1)C#N

COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N

COc1cc2c(Nc3ccc(Sc4nccn4C)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N

COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1

COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)cc3)ccnc2cc1OC1CCN(CC1)C(=O)NC(C)C

COc1cc2c(Oc3ccc(Nc4ccc(cc4)C(C)(C)C)cc3)ccnc2cc1OCCNCCO

COc1cc2c(Oc3ccc(cc3F)C3SCC(=O)N3NC(=O)Nc3ccc(F)cc3F)ccnc2cc1OCCCN1CCN(C)CC1

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|

COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(CCC2(C)C)C(=O)CN(C)C

COc1cc2c(cn(C)c2cc1OC)-c1cc2cccnc2[nH]1

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

COc1cc2nc(C)oc2c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O |r,c:25|

COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC

COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC

COc1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3F)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3F)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)c(Cl)c3)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1Br

COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1C

COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cn3)c2cc1OC

COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC

COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12

COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OC

COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OC

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC

COc1cc2ncnc(Nc3ccc(cc3)N3Cc4ccccc4C3)c2cc1OC

COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC

COc1ccc(-c2c-3c(CCc4cnc(Nc5ccc(OCCN6CCCC6)cc5OC)nc-34)nn2C)c(Cl)c1 |(2.91,-5.21,;2.51,-3.73,;3.6,-2.64,;3.2,-1.15,;4.29,-.06,;5.77,-.46,;6.86,.63,;6.54,2.13,;7.88,2.9,;7.88,4.44,;6.54,5.21,;5.21,4.44,;3.88,5.21,;2.54,4.44,;2.54,2.9,;1.21,2.13,;-.13,2.9,;-.13,4.44,;-1.46,5.21,;-2.79,4.44,;-4.13,5.21,;-5.46,4.44,;-5.46,2.9,;-6.79,2.13,;-8.26,2.61,;-9.16,1.36,;-8.26,.12,;-6.79,.59,;-2.79,2.9,;-1.46,2.13,;-1.46,.59,;-.13,-.18,;3.88,2.13,;5.21,2.9,;9.02,1.87,;8.39,.47,;9.16,-.87,;6.17,-1.95,;7.66,-2.35,;5.08,-3.04,)|

COc1ccc(-c2c-3c(CCc4cnc(Nc5ccc(cc5OC)C(=O)NC5CCN(C)CC5)nc-34)nn2C)c(Cl)c1 |(3.72,-6.37,;3.32,-4.88,;4.41,-3.79,;4.01,-2.31,;5.1,-1.22,;6.59,-1.62,;7.68,-.53,;7.36,.98,;8.69,1.75,;8.69,3.29,;7.36,4.06,;6.02,3.29,;4.69,4.06,;3.36,3.29,;3.36,1.75,;2.02,.98,;.69,1.75,;.69,3.29,;-.64,4.06,;-1.98,3.29,;-1.98,1.75,;-.64,.98,;-.64,-.56,;.69,-1.33,;-3.31,4.06,;-3.31,5.6,;-4.65,3.29,;-5.98,4.06,;-5.98,5.6,;-7.31,6.37,;-8.65,5.6,;-9.98,6.37,;-8.65,4.06,;-7.31,3.29,;4.69,.98,;6.02,1.75,;9.84,.72,;9.21,-.69,;9.98,-2.02,;6.99,-3.1,;8.48,-3.5,;5.9,-4.19,)|

COc1ccc(-c2c-3c(CCc4cnc(Nc5ccc(cc5OC)N5CCN(C)CC5)nc-34)nn2C)c(Cl)c1 |(2.39,-6.37,;1.99,-4.88,;3.08,-3.79,;2.68,-2.31,;3.77,-1.22,;5.26,-1.62,;6.34,-.53,;6.02,.98,;7.36,1.75,;7.36,3.29,;6.02,4.06,;4.69,3.29,;3.36,4.06,;2.02,3.29,;2.02,1.75,;.69,.98,;-.64,1.75,;-.64,3.29,;-1.98,4.06,;-3.31,3.29,;-3.31,1.75,;-1.98,.98,;-1.98,-.56,;-.64,-1.33,;-4.65,4.06,;-4.65,5.6,;-5.98,6.37,;-7.31,5.6,;-8.65,6.37,;-7.31,4.06,;-5.98,3.29,;3.36,.98,;4.69,1.75,;8.5,.72,;7.88,-.69,;8.65,-2.02,;5.65,-3.1,;7.14,-3.5,;4.57,-4.19,)|

COc1ccc(-c2c-3c(CCc4cnc(Nc5ccccc5)nc-34)nn2C)c(Cl)c1 |(-.28,-5.21,;-.68,-3.73,;.41,-2.64,;.01,-1.15,;1.1,-.06,;2.59,-.46,;3.68,.63,;3.36,2.13,;4.69,2.9,;4.69,4.44,;3.36,5.21,;2.02,4.44,;.69,5.21,;-.64,4.44,;-.64,2.9,;-1.98,2.13,;-3.31,2.9,;-4.65,2.13,;-5.98,2.9,;-5.98,4.44,;-4.65,5.21,;-3.31,4.44,;.69,2.13,;2.02,2.9,;5.84,1.87,;5.21,.47,;5.98,-.87,;2.99,-1.95,;4.47,-2.35,;1.9,-3.04,)|

COc1ccc(-c2c-3c(CCc4cnc(Nc5ccccc5OC)nc-34)nn2C)c(Cl)c1 |(-.28,-5.21,;-.68,-3.73,;.41,-2.64,;.01,-1.15,;1.1,-.06,;2.59,-.46,;3.68,.63,;3.36,2.13,;4.69,2.9,;4.69,4.44,;3.36,5.21,;2.02,4.44,;.69,5.21,;-.64,4.44,;-.64,2.9,;-1.98,2.13,;-3.31,2.9,;-3.31,4.44,;-4.65,5.21,;-5.98,4.44,;-5.98,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;.69,2.13,;2.02,2.9,;5.84,1.87,;5.21,.47,;5.98,-.87,;2.99,-1.95,;4.47,-2.35,;1.9,-3.04,)|

COc1ccc(CCCCCn2c3CCC(N)Cc3c3cc(OCCc4ccc(O)cc4)ccc23)cc1

COc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1

COc1ccc(CCCCc2ccc(O)c(O)c2)cc1

COc1ccc(CCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC

COc1ccc(CCOc2ccc3n(CCCCCc4ccc(SC)cc4)cc(CCN)c3c2)cc1

COc1ccc(CNc2cc(CN3C(=O)N(C(=O)C3(C)C)c3ccc(SC(F)(F)F)cc3)ccn2)cc1

COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1

COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1

COc1ccc(C[C@@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc(cc(C)c3[nH]2)-n2ccnc2)cc1

COc1ccc(Cc2c-3c(CCc4cnc(Nc5ccc(OCCN6CCCC6)cc5OC)nc-34)nn2C)cc1

COc1ccc(Cc2c-3c(CCc4cnc(Nc5ccc(cc5OC)C(=O)NC5CCN(C)CC5)nc-34)nn2C)cc1

COc1ccc(Cc2c-3c(CCc4cnc(Nc5ccc(cc5OC)N5CCN(C)CC5)nc-34)nn2C)cc1

COc1ccc(Cc2c-3c(CCc4cnc(Nc5ccccc5)nc-34)nn2C)cc1

COc1ccc(Cc2c-3c(CCc4cnc(Nc5ccccc5OC)nc-34)nn2C)cc1

COc1ccc(Cl)cc1NC(=O)Nc1cc(=O)[nH]c2ccccc12

COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2NCCCc12

COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12

COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2cnccc12

COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ncccc12

COc1ccc(Cl)cc1NC(=O)Nc1cc(Cl)nc2ccccc12

COc1ccc(Cl)cc1NC(=O)Nc1cc(nc2ccccc12)C(F)(F)F

COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1

COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1

COc1ccc(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1ccc(NC(=O)Nc2cc(C)nc3ccccc23)cc1

COc1ccc(NC(=O)Nc2cc(C)nc3ccccc23)cc1Cl

COc1ccc(NC(=O)Nc2cc(Cl)nc3ccccc23)cc1

COc1ccc(NC(=O)Nc2cc(Cl)nc3ccccc23)cc1Cl

COc1ccc(NC(=O)Nc2cc(nc3ccccc23)C(F)(F)F)cc1

COc1ccc(NC(=O)Nc2cc(nc3ccccc23)C(F)(F)F)cc1Cl

COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

COc1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN(C)C)cc4)c3c2)cc1 |w:17.17|

COc1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:17.17|

COc1ccc(Nc2ncc3CCc4nn(CCN(C)C)c(C)c4-c3n2)c(OC)c1

COc1ccc(Nc2ncc3CCc4nn(c(C(C)C)c4-c3n2)-c2ccccn2)cc1

COc1ccc(Nc2ncc3c(n2)-c2c(CC3(C)C)nn(C)c2C)cc1

COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1

COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1Cl

COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1OC

COc1ccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc1 |r|

COc1ccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc1OC |r|

COc1ccc(OCCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1

COc1ccc(\C=C2/C(=O)Nc3ccc(Cl)cc23)cc1C(C)(C)C

COc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1

COc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1C(C)(C)C

COc1ccc(cc1)-c1c-2c(CCc3cnc(Nc4ccn(C)n4)nc-23)nn1C

COc1ccc(cc1)-c1c-2c(CCc3cnc(Nc4ccn(CC(=O)N(C)C)n4)nc-23)nn1C

COc1ccc(cc1)-c1c-2c(CCc3cnc(Nc4cnn(C)c4)nc-23)nn1C

COc1ccc(cc1)-c1c-2c(CCc3cnc(Nc4cnn(c4)C4CCN(CC4)C(C)=O)nc-23)nn1C

COc1ccc(cc1)-c1cc(C)c2nc([nH]c2c1)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O

COc1ccc(cc1)-c1ccc(Cn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1

COc1ccc(cc1)-c1nc(C2CCC2)n2ccnc(N)c12

COc1ccc(cc1)C(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12

COc1ccc(cc1)C(O)CNc1cc[nH]c(=O)c1-c1nc2cc(cc(C)c2[nH]1)-n1ccnc1

COc1ccc(cc1)N1CCN(CC(O)c2ccc(Br)cc2)CC1

COc1ccc(cc1Cl)C(O)CNc1cc[nH]c(=O)c1-c1nc2cc(cc(C)c2[nH]1)-n1ccnc1

COc1ccc(cc1Cl)[C@H](O)CNc1cc[nH]c(=O)c1-c1nc2c(C)cc(cc2[nH]1)C1CCN(CCCF)CC1 |r|

COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C

COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

COc1ccc(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C(=O)N1CCOCC1

COc1ccc(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O

COc1ccc(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNCC1

COc1ccc(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCOCC1

COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1

COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1

COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12

COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12

COc1ccc(cc1OCc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12

COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|

COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|

COc1ccc2CN(C(=O)c2c1)c1nc(cs1)C(=O)Nc1cnccc1N1CCNCC1

COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cc(C)on5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5ccccn5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cccnc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5ccncc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cnccn5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5csc(C)n5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)c(OC)c3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)=C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(O)C(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(O)CN)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC5CNC(=O)O5)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CCN)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CCO)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CCO)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |r|

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |r|

COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCCO5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOCC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOCC5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(CN)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(CN5CCCC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(CN5CCCC5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c(CNC(=O)OC(C)(C)C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

COc1ccc2c(Oc3ccc(NC(=O)c4c([C@@H]5CCCN5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |r|

COc1ccc2c(Oc3ccc(NC(=O)c4c([C@@H]5CCCN5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1 |r|

COc1ccc2c(Oc3ccc(NC(=O)c4c(n(C)n(-c5ccccc5)c4=O)C(C)(C)N)cc3F)ccnc2c1

COc1ccc2c(Oc3cnc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1

COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1

COc1ccc2ncc(-c3nc(Nc4ccc(cc4OC)N4CCN(CC4)C(C)=O)ncc3Cl)n2c1

COc1cccc(C[C@@H](CO)Nc2cc[nH]c(=O)c2-c2nc3cc(cc(C)c3[nH]2)-n2ccnc2)c1

COc1cccc(Cc2c-3c(CCc4cnc(Nc5cc(C)n(C)n5)nc-34)nn2C)c1

COc1cccc(Cc2c-3c(CCc4cnc(Nc5ccn(C)n5)nc-34)nn2C)c1

COc1cccc(Cc2c-3c(CCc4cnc(Nc5cnn(CCN(C)C)c5)nc-34)nn2C)c1

COc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN(C)C)cc4)c3c2)c1 |w:18.18|

COc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:18.18|

COc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccccc4)c3c2)c1 |w:18.18|

COc1cccc(Nc2ncc3CCc4nn(c(C(C)C)c4-c3n2)-c2ccccn2)c1

COc1cccc(Nc2ncc3CCc4nn(c(C(C)C)c4-c3n2)-c2cccnc2)c1

COc1cccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)c1

COc1cccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)c1 |r|

COc1cccc(c1)-c1c-2c(CCc3cnc(Nc4cc(C)n(C)n4)nc-23)nn1C

COc1cccc(c1)-c1c-2c(CCc3cnc(Nc4ccn(CCN(C)C)n4)nc-23)nn1C

COc1cccc(c1)-c1c-2c(CCc3cnc(Nc4cnn(C)c4)nc-23)nn1C

COc1cccc(c1)-c1c-2c(CCc3cnc(Nc4cnn(c4)C4CCN(CC4)C(C)=O)nc-23)nn1C

COc1cccc(c1)-c1nc(C2CCC2)n2ccnc(N)c12

COc1cccc(c1)-n1c(=O)[nH]c(=O)n(-c2ccc(Oc3ccccc3)cc2)c1=O

COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N

COc1cccc(c1)C(O)CNc1cc[nH]c(=O)c1-c1nc2cc(cc(C)c2[nH]1)-n1ccnc1

COc1cccc(c1)N1CCN(CC(O)c2ccc(Br)cc2)CC1

COc1ccccc1-c1c-2c(CCc3cnc(Nc4ccc(cc4C)C(=O)NC4CCN(C)CC4)nc-23)nn1C |(8.87,-5.68,;8.48,-4.19,;6.99,-3.79,;5.9,-4.88,;4.41,-4.48,;4.01,-3,;5.1,-1.91,;6.59,-2.31,;7.68,-1.22,;7.36,.29,;8.69,1.06,;8.69,2.6,;7.36,3.37,;6.02,2.6,;4.69,3.37,;3.36,2.6,;3.36,1.06,;2.02,.29,;.69,1.06,;.69,2.6,;-.64,3.37,;-1.98,2.6,;-1.98,1.06,;-.64,.29,;-.64,-1.25,;-3.31,3.37,;-3.31,4.91,;-4.65,2.6,;-5.98,3.37,;-5.98,4.91,;-7.31,5.68,;-8.65,4.91,;-9.98,5.68,;-8.65,3.37,;-7.31,2.6,;4.69,.29,;6.02,1.06,;9.84,.03,;9.21,-1.38,;9.98,-2.71,)|

COc1ccccc1-c1c-2c(CCc3cnc(Nc4ccccc4)nc-23)nn1C |(4.87,-4.52,;4.47,-3.04,;2.99,-2.64,;1.9,-3.73,;.41,-3.33,;.01,-1.84,;1.1,-.75,;2.59,-1.15,;3.68,-.06,;3.36,1.44,;4.69,2.21,;4.69,3.75,;3.36,4.52,;2.02,3.75,;.69,4.52,;-.64,3.75,;-.64,2.21,;-1.98,1.44,;-3.31,2.21,;-4.65,1.44,;-5.98,2.21,;-5.98,3.75,;-4.65,4.52,;-3.31,3.75,;.69,1.44,;2.02,2.21,;5.84,1.18,;5.21,-.22,;5.98,-1.56,)|

COc1ccccc1C[C@@H](CO)Nc1cc[nH]c(=O)c1-c1nc2cc(cc(C)c2[nH]1)-n1ccnc1

COc1ccccc1Cc1c-2c(CCc3cnc(Nc4ccc(OCCN5CCCC5)cc4OC)nc-23)nn1C

COc1ccccc1Cc1c-2c(CCc3cnc(Nc4ccc(cc4OC)C(=O)NC4CCN(C)CC4)nc-23)nn1C

COc1ccccc1Cc1c-2c(CCc3cnc(Nc4ccc(cc4OC)N4CCN(C)CC4)nc-23)nn1C

COc1ccccc1Cc1c-2c(CCc3cnc(Nc4ccccc4)nc-23)nn1C

COc1ccccc1Cc1c-2c(CCc3cnc(Nc4ccccc4OC)nc-23)nn1C

COc1ccccc1Cc1c-2c(CCc3cnc(Nc4ccn(CCN(C)C)n4)nc-23)nn1C

COc1ccccc1Cc1c-2c(CCc3cnc(Nc4cnn(CCN(C)C)c4)nc-23)nn1C

COc1ccccc1Cc1c-2c(CCc3cnc(Nc4cnn(c4)C4CCN(CC4)C(C)=O)nc-23)nn1C

COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)C2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.23,wD:24.30,(12.06,2.98,;13.6,2.98,;14.37,4.32,;13.6,5.65,;14.37,6.99,;15.91,6.99,;16.68,5.65,;15.91,4.32,;16.68,2.98,;18.22,2.98,;19.13,4.23,;20.59,3.75,;21.92,4.52,;23.26,3.75,;23.26,2.21,;21.92,1.44,;20.59,2.21,;19.13,1.74,;24.59,1.44,;24.75,-.09,;26.26,-.41,;26.89,-1.81,;28.42,-1.97,;29.04,-3.38,;28.14,-4.63,;26.61,-4.47,;25.98,-3.06,;28.76,-6.03,;30.3,-6.2,;30.92,-7.6,;30.02,-8.85,;30.64,-10.25,;28.49,-8.69,;27.86,-7.28,;27.03,.93,;28.53,1.25,;29.01,2.71,;27.98,3.86,;26.47,3.54,;25.44,4.68,;26,2.07,)|

COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(=O)N(C)C)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;5.22,-6.55,;6.75,-6.43,;4.55,-7.94,;4.55,-9.48,;3.05,-7.6,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|

COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;5.22,-6.55,;4.55,-7.94,;6.75,-6.43,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|

COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC3CC3)CC2)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.22,-6.55,;6.75,-6.43,;8.01,-5.54,;8.15,-7.08,;5.01,-3.89,;4.14,-2.62,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|

COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCNCC2)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|

COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCOCC2)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|

COc1ccccc1N1CCN(CC(O)c2ccc(Br)cc2)CC1

COc1ccccc1Nc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:19.20|

COc1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)ncc1Cl

COc1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)C)nc2[nH]ccc12

COc1ccccc1Nc1nc(Nc2ccc(cc2OC)P(C)(C)=O)ncc1Cl

COc1ccccc1Nc1ncc2C(C)Cc3nn(C)c(C(C)C)c3-c2n1

COc1ccccc1Nc1ncc2C(C)Cc3nn(C)c(c3-c2n1)-c1ccccc1Cl |(-5.98,-2.03,;-4.65,-1.26,;-4.65,.28,;-5.98,1.05,;-5.98,2.59,;-4.65,3.36,;-3.31,2.59,;-3.31,1.05,;-1.98,.28,;-.64,1.05,;-.64,2.59,;.69,3.36,;2.02,2.59,;3.36,3.36,;3.36,4.9,;4.69,2.59,;4.69,1.05,;5.84,.02,;5.21,-1.39,;5.98,-2.73,;3.68,-1.23,;3.36,.28,;2.02,1.05,;.69,.28,;2.59,-2.32,;1.1,-1.92,;.01,-3.01,;.41,-4.5,;1.9,-4.9,;2.99,-3.81,;4.47,-4.21,)|

COc1ccccc1Nc1ncc2CCCc3nn(C)c(C)c3-c2n1

COc1ccccc1Nc1ncc2CCc3nn(C)c(-c4ccco4)c3-c2n1

COc1ccccc1Nc1ncc2CCc3nn(C)c(-c4ccsc4)c3-c2n1

COc1ccccc1Nc1ncc2CCc3nn(C)c(-c4occc4C)c3-c2n1 |(-5.98,-1.37,;-4.65,-.6,;-4.65,.94,;-5.98,1.71,;-5.98,3.25,;-4.65,4.02,;-3.31,3.25,;-3.31,1.71,;-1.98,.94,;-.64,1.71,;-.64,3.25,;.69,4.02,;2.02,3.25,;3.36,4.02,;4.69,3.25,;4.69,1.71,;5.84,.68,;5.21,-.72,;5.98,-2.06,;3.68,-.56,;2.59,-1.65,;3.06,-3.12,;1.82,-4.02,;.57,-3.12,;1.05,-1.65,;.28,-.32,;3.36,.94,;2.02,1.71,;.69,.94,)|

COc1ccccc1Nc1ncc2CCc3nn(C)c(CCc4ccccc4)c3-c2n1

COc1ccccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1cc(C)ccc1Cl |(-5.98,-1.26,;-4.65,-.49,;-4.65,1.05,;-5.98,1.82,;-5.98,3.36,;-4.65,4.13,;-3.31,3.36,;-3.31,1.82,;-1.98,1.05,;-.64,1.82,;-.64,3.36,;.69,4.13,;2.02,3.36,;3.36,4.13,;4.69,3.36,;4.69,1.82,;5.84,.79,;5.21,-.62,;5.98,-1.96,;3.68,-.46,;3.36,1.05,;2.02,1.82,;.69,1.05,;2.59,-1.55,;1.1,-1.15,;.01,-2.24,;-1.48,-1.84,;.41,-3.73,;1.9,-4.13,;2.99,-3.04,;4.47,-3.44,)|

COc1ccccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccc(C)cc1C |(-5.98,-.92,;-4.65,-.15,;-4.65,1.39,;-5.98,2.16,;-5.98,3.7,;-4.65,4.47,;-3.31,3.7,;-3.31,2.16,;-1.98,1.39,;-.64,2.16,;-.64,3.7,;.69,4.47,;2.02,3.7,;3.36,4.47,;4.69,3.7,;4.69,2.16,;5.84,1.13,;5.21,-.28,;5.98,-1.61,;3.68,-.12,;3.36,1.39,;2.02,2.16,;.69,1.39,;2.59,-1.2,;1.1,-.81,;.01,-1.89,;.41,-3.38,;-.68,-4.47,;1.9,-3.78,;2.99,-2.69,;4.47,-3.09,)|

COc1ccccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccc(F)cc1Cl |(-5.98,-.92,;-4.65,-.15,;-4.65,1.39,;-5.98,2.16,;-5.98,3.7,;-4.65,4.47,;-3.31,3.7,;-3.31,2.16,;-1.98,1.39,;-.64,2.16,;-.64,3.7,;.69,4.47,;2.02,3.7,;3.36,4.47,;4.69,3.7,;4.69,2.16,;5.84,1.13,;5.21,-.28,;5.98,-1.61,;3.68,-.12,;3.36,1.39,;2.02,2.16,;.69,1.39,;2.59,-1.2,;1.1,-.81,;.01,-1.89,;.41,-3.38,;-.68,-4.47,;1.9,-3.78,;2.99,-2.69,;4.47,-3.09,)|

COc1ccccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1cccc(C)c1Cl |(-5.98,-.52,;-4.65,.25,;-4.65,1.79,;-5.98,2.56,;-5.98,4.1,;-4.65,4.87,;-3.31,4.1,;-3.31,2.56,;-1.98,1.79,;-.64,2.56,;-.64,4.1,;.69,4.87,;2.02,4.1,;3.36,4.87,;4.69,4.1,;4.69,2.56,;5.84,1.53,;5.21,.12,;5.98,-1.21,;3.68,.28,;3.36,1.79,;2.02,2.56,;.69,1.79,;2.59,-.81,;1.1,-.41,;.01,-1.5,;.41,-2.98,;1.9,-3.38,;2.3,-4.87,;2.99,-2.29,;4.47,-2.69,)|

COc1ccccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1

COc1ccccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1C |(-5.98,-1.26,;-4.65,-.49,;-4.65,1.05,;-5.98,1.82,;-5.98,3.36,;-4.65,4.13,;-3.31,3.36,;-3.31,1.82,;-1.98,1.05,;-.64,1.82,;-.64,3.36,;.69,4.13,;2.02,3.36,;3.36,4.13,;4.69,3.36,;4.69,1.82,;5.84,.79,;5.21,-.62,;5.98,-1.96,;3.68,-.46,;3.36,1.05,;2.02,1.82,;.69,1.05,;2.59,-1.55,;1.1,-1.15,;.01,-2.24,;.41,-3.73,;1.9,-4.13,;2.99,-3.04,;4.47,-3.44,)|

COc1ccccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl |(-5.98,-1.26,;-4.65,-.49,;-4.65,1.05,;-5.98,1.82,;-5.98,3.36,;-4.65,4.13,;-3.31,3.36,;-3.31,1.82,;-1.98,1.05,;-.64,1.82,;-.64,3.36,;.69,4.13,;2.02,3.36,;3.36,4.13,;4.69,3.36,;4.69,1.82,;5.84,.79,;5.21,-.62,;5.98,-1.96,;3.68,-.46,;3.36,1.05,;2.02,1.82,;.69,1.05,;2.59,-1.55,;1.1,-1.15,;.01,-2.24,;.41,-3.73,;1.9,-4.13,;2.99,-3.04,;4.47,-3.44,)|

COc1ccccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1OC |(-5.98,-.87,;-4.65,-.1,;-4.65,1.44,;-5.98,2.21,;-5.98,3.75,;-4.65,4.52,;-3.31,3.75,;-3.31,2.21,;-1.98,1.44,;-.64,2.21,;-.64,3.75,;.69,4.52,;2.02,3.75,;3.36,4.52,;4.69,3.75,;4.69,2.21,;5.84,1.18,;5.21,-.22,;5.98,-1.56,;3.68,-.06,;3.36,1.44,;2.02,2.21,;.69,1.44,;2.59,-1.15,;1.1,-.75,;.01,-1.84,;.41,-3.33,;1.9,-3.73,;2.99,-2.64,;4.47,-3.04,;4.87,-4.52,)|

COc1ccccc1Nc1ncc2CCc3nn(c(C(C)C)c3-c2n1)-c1cccnc1

COc1ccn2c(cnc2c1)-c1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)ncc1Cl

COc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4cc(ccc34)N3CCN(C)CC3)-c12

COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4ccccc34)-c12

COc1nc(Nc2ccc(-c3nc4ccccc4s3)c(OC)c2)c2cc[nH]c2n1

COc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc[nH]c2n1

COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O

COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

CS(=O)(=O)NCc1cccc(c1)-c1ccc(cc1)C(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

CS(=O)(=O)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

CSc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1

CSc1ccc(CCCCCn2cc(CCNC(=O)OC(C)(C)C)c3cc(OCCc4ccc(O)cc4)ccc23)cc1

CSc1ccc(\C=C2/C(=O)Nc3cccc(C)c23)s1

CSc1ccc(\C=C2/C(=O)Nc3ccccc23)s1

CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|

C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1

C[C@@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|

C[C@@H](N)C(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C

C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|

C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|

C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|

C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(nc12)-c1cnn(C)c1 |r|

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]cc(C#N)c3c12)C(=O)CC#N |r|

C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|

C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O

C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3c(Oc4ccccc4)cc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(41.6,-16.89,;40.11,-16.49,;40.51,-17.98,;40.35,-14.97,;38.83,-14.74,;38.6,-16.26,;37.92,-13.5,;38.39,-12.03,;37.14,-11.13,;37.13,-9.59,;35.78,-8.82,;35.78,-7.28,;37.11,-6.51,;37.11,-4.96,;35.78,-4.19,;35.78,-2.65,;37.12,-1.88,;37.12,-.35,;35.79,.44,;34.45,-.36,;34.46,-1.88,;38.44,-4.19,;39.78,-4.95,;39.79,-6.5,;38.45,-7.28,;38.45,-8.81,;41.11,-4.18,;42.45,-4.95,;43.78,-4.17,;43.77,-2.63,;42.42,-1.87,;41.1,-2.64,;35.9,-12.04,;34.41,-11.73,;33.93,-10.26,;33.38,-12.87,;33.85,-14.33,;35.36,-14.65,;36.38,-13.51,)|

C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3c(Oc4ccccc4)cc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.16,-33.71,;16.68,-33.31,;17.08,-34.79,;16.92,-31.79,;15.39,-31.56,;15.16,-33.08,;14.48,-30.32,;14.95,-28.85,;13.7,-27.95,;13.69,-26.4,;12.34,-25.64,;12.34,-24.09,;13.68,-23.32,;13.68,-21.78,;12.34,-21.01,;12.34,-19.47,;13.69,-18.69,;13.69,-17.17,;12.35,-16.4,;11.01,-17.17,;11.02,-18.7,;15.01,-21.01,;16.34,-21.77,;16.35,-23.32,;15.01,-24.09,;15.02,-25.63,;16.35,-26.39,;17.67,-21,;19.01,-21.77,;20.34,-20.99,;20.34,-19.45,;18.99,-18.68,;17.66,-19.46,;12.46,-28.86,;10.97,-28.54,;10.5,-27.08,;9.94,-29.68,;10.41,-31.14,;11.92,-31.47,;12.94,-30.32,)|

C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|

C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)ncnn12 |r,wU:4.6,1.1,wD:1.0,(26.46,-7.08,;25.39,-6.01,;24.98,-7.48,;26.09,-4.63,;24.71,-3.93,;24.01,-5.31,;24.24,-2.48,;25.15,-1.23,;24.24,.02,;24.99,1.36,;24.21,2.68,;24.97,4.02,;26.51,4.03,;27.27,5.37,;28.81,5.38,;29.59,4.04,;28.82,2.71,;27.29,2.7,;26.54,1.37,;31.12,4.05,;31.9,2.72,;33.44,2.73,;34.2,4.07,;33.42,5.4,;31.88,5.39,;22.77,-.46,;21.44,.31,;21.44,1.85,;20.11,-.46,;20.11,-2.01,;21.44,-2.78,;22.77,-2,)|

C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:4.6,1.1,wD:1.0,(-2.6,-22.44,;-3.93,-21.67,;-4.34,-23.15,;-3.24,-20.29,;-4.61,-19.61,;-5.31,-20.98,;-5.1,-18.14,;-4.2,-16.89,;-5.11,-15.65,;-4.34,-14.32,;-5.11,-12.99,;-4.34,-11.66,;-2.79,-11.65,;-2.03,-10.33,;-.5,-10.33,;.27,-11.66,;-.5,-12.99,;-2.03,-12.99,;-2.8,-14.32,;-2.03,-15.66,;1.81,-11.66,;2.58,-13,;4.12,-13,;4.89,-11.66,;4.11,-10.32,;2.57,-10.33,;-6.58,-16.13,;-7.91,-15.37,;-7.92,-13.83,;-9.24,-16.14,;-9.25,-17.68,;-7.91,-18.46,;-6.57,-17.68,)|

C[C@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|

C[C@H](N)C(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C

C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1

C[C@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|

C[C@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1 |r|

C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C(N)=O)c2cccn2n1)C(=O)NC1CCCN(CC2CC2)C1 |r|

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C(N)=O)c2cccn2n1)C(=O)Nc1ccc(N)nc1 |r|

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)NC1CCNC1 |r|

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1cc(n[nH]1)C1CC1 |r|

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(nc1)C(F)(F)F |r|

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1cccnc1 |r|

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccncn1 |r|

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1cnccn1 |r|

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ncccn1 |r|

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1nccs1 |r|

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1nncs1 |r|

C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ncc(Cl)s1 |r|

C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1nccs1 |r|

C[C@]1(CCCN1c1nc(Nc2ncc(s2)C(N)=O)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|

C\C(=C/C(=S)NCc1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(Br)c1

C\C(=C1/C(=O)Nc2ccccc12)c1ccc(cc1)N1CCCCC1

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

Cc1c(Br)cnn1CCNc1cc[nH]c(=O)c1-c1nc2c(C)cc(cc2[nH]1)N1CCOCC1

Cc1c(Cl)cnn1CCNc1cc[nH]c(=O)c1-c1nc2c(C)cc(cc2[nH]1)N1CCOCC1

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1

Cc1c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cnn1C1CCNCC1

Cc1c(O)c(O)c2O[C@H]3O[C@H](C(=O)c4c(O)c(O)c(O)c(C)c34)c2c1C=O |r|

Cc1c(O)c(O)c2oc(cc2c1C=O)-c1c(C)c(O)c(O)c(O)c1C=O

Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12

Cc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc2ccccc12

Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1CC1CCNCC1

Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1Cc1cc[n+]([O-])c2ccccc12

Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1Cc1cc[n+]([O-])cc1

Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1Cc1ccccc1

Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1Cc1ccccn1

Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1Cc1cccnc1

Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1Cc1ccnc2ccccc12

Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1Cc1ccncc1

Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1Cc1cnc[nH]1

Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1Cc1cncc2ccccc12

Cc1c(O)n(-c2ccc(cc2)S(=O)C(F)(F)F)c(=O)n1Cc1ccnc2ccccc12

Cc1c(O)n(-c2ccc(cc2)S(C)(=O)=O)c(=O)n1Cc1ccnc2ccccc12

Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c12)C(=O)c1ccccc1

Cc1c-2c(CC(C)(C)c3cnc(Nc4ccccc4)nc-23)nn1C

Cc1c-2c(CCc3cnc(Nc4ccccc4Cl)nc-23)nn1C

Cc1c2COC(=O)c2c(O)c(O)c1O

Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C

Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O

Cc1c[nH]c(n1)-c1cc(C)c2[nH]c(nc2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O

Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl

Cc1cc(Br)cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O

Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1

Cc1cc(C)c(\C=C2/C(=O)Nc3cc(F)ccc23)[nH]1

Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(C)cc23)[nH]1

Cc1cc(C)c(\C=C2/C(=O)Nc3cccc(C)c23)[nH]1

Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1

Cc1cc(CNc2ncc(Br)c(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1

Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1

Cc1cc(CNc2nccc(Nc3cc(CO)n[nH]3)n2)on1

Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|

Cc1cc(Cl)c2-c3[nH]c4ccccc4c3CCN(CCc3ccccc3)c2n1

Cc1cc(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2n1

Cc1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2n1

Cc1cc(NC(=O)Nc2ccc(cc2)-c2ncccn2)c2ccccc2n1

Cc1cc(NC(=O)Nc2cccc(c2)-c2ncccn2)c2ccccc2n1

Cc1cc(Nc2ccnc(NCc3cc(C)no3)n2)[nH]n1

Cc1cc(Nc2ccnc(NCc3cc(no3)C(N)=O)n2)[nH]n1

Cc1cc(Nc2ccnc(NCc3cc(no3)C3CC3)n2)[nH]n1

Cc1cc(Nc2ccnc(Nc3cccc(c3)-c3nc4ccccc4s3)n2)[nH]n1

Cc1cc(Nc2nc(NCC=C)ncc2Br)[nH]n1

Cc1cc(Nc2nc(NCCCc3cn[nH]c3C)ncc2Br)[nH]n1

Cc1cc(Nc2nc(NCCc3cc(C)no3)ncc2Br)[nH]n1

Cc1cc(Nc2nc(NCCc3cccnc3)ncc2Br)[nH]n1

Cc1cc(Nc2nc(NCCc3ccco3)ncc2Br)[nH]n1

Cc1cc(Nc2nc(NCc3cc(C)no3)ncc2Br)[nH]n1

Cc1cc(Nc2nc(NCc3cc(C)no3)ncc2Cl)[nH]n1

Cc1cc(Nc2nc(NCc3cc(no3)C(=O)N3CCCC3)ncc2Br)[nH]n1

Cc1cc(Nc2nc(NCc3cc(no3)C(C)(C)C)ncc2Br)[nH]n1

Cc1cc(Nc2nc(NCc3ccccn3)ncc2Br)[nH]n1

Cc1cc(Nc2nc(NCc3cnc(C)cn3)ncc2Br)[nH]n1

Cc1cc(Nc2nc(NCc3ncccc3C)ncc2Br)[nH]n1

Cc1cc(Nc2nc(nc3CCCc23)N2CCCCC2)n[nH]1

Cc1cc(Nc2nc(nc3CCCc23)N2CCCCCC2)n[nH]1

Cc1cc(Nc2ncc3CCc4nn(C)c(Cc5cccc(C)c5)c4-c3n2)nn1C

Cc1cc(Nc2ncc3CCc4nn(C)c(Cc5cccc(Cl)c5)c4-c3n2)nn1C

Cc1cc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5)c4-c3n2)nn1C

Cc1cc(Nc2ncc3CCc4nn(C)c(Cc5ccccc5Cl)c4-c3n2)nn1C

Cc1cc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(OC(F)F)cc2)nn1C

Cc1cc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2Cl)nn1C |(-6.6,2.07,;-5.06,2.07,;-4.15,.82,;-2.69,1.3,;-1.36,.53,;-.02,1.3,;-.02,2.84,;1.31,3.61,;2.64,2.84,;3.98,3.61,;5.31,2.84,;5.31,1.3,;6.46,.27,;5.83,-1.14,;6.6,-2.47,;4.3,-.98,;3.98,.53,;2.64,1.3,;1.31,.53,;3.21,-2.07,;1.72,-1.67,;.63,-2.76,;1.03,-4.25,;2.52,-4.65,;3.61,-3.56,;5.1,-3.96,;-2.69,2.84,;-4.15,3.31,;-4.92,4.65,)|

Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O

Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12

Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12

Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12

Cc1cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)cc(CS(=O)(=O)c2ccccc2)c1Br |r|

Cc1cc(cc2[nH]c(Cc3ccccc3)nc12)-c1nn([C@H]2CC[C@@H](CC2)N2CCOCC2)c2ncnc(N)c12 |wU:20.22,wD:23.29,(27.03,-17.44,;28.06,-18.58,;27.59,-20.04,;28.63,-21.17,;30.13,-20.86,;30.6,-19.4,;32.02,-18.78,;31.86,-17.24,;33.01,-16.22,;34.48,-16.7,;34.78,-18.21,;36.24,-18.69,;37.4,-17.67,;37.08,-16.16,;35.62,-15.68,;30.35,-16.92,;29.57,-18.25,;28.15,-22.64,;29.07,-23.89,;28.15,-25.15,;28.63,-26.61,;30.14,-26.93,;30.61,-28.4,;29.58,-29.54,;28.07,-29.21,;27.6,-27.75,;30.06,-31.01,;29.02,-32.15,;29.48,-33.61,;30.99,-33.94,;32.03,-32.8,;31.56,-31.33,;26.68,-24.67,;25.34,-25.44,;24.01,-24.67,;24.01,-23.12,;25.34,-22.35,;25.33,-20.81,;26.68,-23.12,)|

Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(N)=O

Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NC(C)(C)CN1 |t:32|

Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NCCCN1 |t:32|

Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2cn(C)cn2)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2nc(Cl)n(C)c2Cl)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2ncn(C)c2Br)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2ncn(C)c2Cl)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2ncn(CCF)c2Cl)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Br)c(CO)n2)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Br)cn2)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(CO)cn2)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)C1CCN(CCCF)CC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)C1CCN(CCO)CC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(cn2)C#N)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(cn2)C(N)=O)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(cn2)C(O)=O)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cccn2)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2ncc(Br)c2CO)cc[nH]c1=O)N1CCOCC1

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)C1CCN(CCCF)CC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1CCCC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1CCN(CC1)C(=O)C1CC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1CCN(CC1)C(=O)N1CCOCC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1CCN(CC1)C(=O)OCCO |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1CCOCC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1C[C@@H]2C[C@@H]1CO2 |r,THB:31:34:39.40:37|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1C[C@@H]2C[C@H]1CO2 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)NC(=O)C1CC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)NC(=O)OC(C)(C)C |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)OCCO |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(O)CC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC2(CC1)OCCO2 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CC#N)CC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CC(=O)NCCF)CC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CC1)C(=O)CCCF |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CC1)C(=O)OC(C)(C)C |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CC1)S(C)(=O)=O |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCC#N)CC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCCF)CC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCCO)CC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCF)CC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCO)CC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCNCC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CC[C@@H](C1)NC(=O)OC(C)(C)C |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CC[C@@H](N)C1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CC[C@H](N)C1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2ccccc2Cl)cc[nH]c1=O)N1CCN(CCC#N)CC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@H](O)c2ccccc2Cl)cc[nH]c1=O)N1CCOCC1 |r|

Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccc(F)cc1

Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccccc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cc(Cl)cc(Cl)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2ccc(Cl)c(Cl)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2ccc(F)c(Cl)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2ccc(NS(C)(=O)=O)cc2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Br)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(F)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(NS(C)(=O)=O)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(O)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(c2)C#N)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(c2)C(F)(F)F)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2ccccc2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2ccccc2Cl)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2ccccc2NS(C)(=O)=O)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCCO)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCCc2ccccc2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCCc2ccccn2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCCc2cccs2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCCn2nccn2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NC[C@H](O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCc2ccccn2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCc2cccnc2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCc2ccco2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCc2cccs2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(NCc2ccncc2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccc(Cl)cc2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccc(F)cc2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccc(OC(C)(C)C)cc2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2cccc(Br)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2cccc(F)c2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2cccc(c2)C(F)(F)F)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2cccc(c2)[N+]([O-])=O)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccccc2Br)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccccc2C#N)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccccc2Cl)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccccc2OC(F)(F)F)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccccn2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(OCc2ccccn2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1c(SCc2ccccn2)cc[nH]c1=O)-n1ccnc1

Cc1cc(cc2nc([nH]c12)-c1ccc[nH]c1=O)-n1ccnc1

Cc1cc(ccc1OCc1cccc(c1)-c1ccc(cc1)C(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12)C(C)(C)C

Cc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2ccccc2)c1=O

Cc1cc2N(CCc3ccccc3)CCc3c([nH]c4ccccc34)-c2c(=O)[nH]1

Cc1cc2N(CCc3ccccc3)CCc3c([nH]c4ccccc34)-c2c(Cl)n1

Cc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1Cl

Cc1cc2cccc(Nc3ncc4CCc5nn(C)c(c5-c4n3)-c3ccccc3)c2o1

Cc1ccc(-c2c-3c(CCc4cnc(Nc5ccccc5)nc-34)nn2C)c(C)c1 |(-.68,-4.47,;.41,-3.38,;.01,-1.89,;1.1,-.81,;2.59,-1.2,;3.68,-.12,;3.36,1.39,;4.69,2.16,;4.69,3.7,;3.36,4.47,;2.02,3.7,;.69,4.47,;-.64,3.7,;-.64,2.16,;-1.98,1.39,;-3.31,2.16,;-4.65,1.39,;-5.98,2.16,;-5.98,3.7,;-4.65,4.47,;-3.31,3.7,;.69,1.39,;2.02,2.16,;5.84,1.13,;5.21,-.28,;5.98,-1.61,;2.99,-2.69,;4.47,-3.09,;1.9,-3.78,)|

Cc1ccc(-c2ccc(C=C3SC(=O)NC3=O)o2)c(Br)c1 |w:9.8|

Cc1ccc(C)n1-c1ccc(cc1)C(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12

Cc1ccc(CCCCc2ccc(O)c(O)c2)cc1

Cc1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1

Cc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1

Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(NCc3ccccc3)n2)cc1 |r|

Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3ccc(Cl)cc3)n2)cc1 |r|

Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3ccc4OCCOc4c3)n2)cc1 |r|

Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3cccc(Cl)c3)n2)cc1 |r|

Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3ccccc3)n2)cc1 |r|

Cc1ccc(CNc2nc3CCCc3c(Nc3cc([nH]n3)C3CC3)n2)cc1

Cc1ccc(Cc2nc3ccc(cc3[nH]2)-c2nn([C@H]3CC[C@@H](CC3)N3CCOCC3)c3ncnc(N)c23)cc1 |wU:18.19,wD:21.26,(22.15,3.3,;20.69,3.79,;19.54,2.76,;18.08,3.25,;17.77,4.75,;16.31,5.24,;15.16,4.21,;13.65,4.54,;12.87,3.21,;11.35,2.88,;10.89,1.42,;11.92,.28,;13.42,.6,;13.89,2.05,;15.31,2.67,;11.44,-1.18,;12.36,-2.44,;11.45,-3.69,;11.92,-5.16,;13.43,-5.47,;13.91,-6.94,;12.87,-8.08,;11.37,-7.76,;10.9,-6.3,;13.35,-9.55,;12.31,-10.69,;12.77,-12.15,;14.28,-12.48,;15.32,-11.34,;14.85,-9.87,;9.97,-3.21,;8.63,-3.98,;7.3,-3.21,;7.3,-1.67,;8.63,-.9,;8.62,.64,;9.97,-1.66,;18.91,5.78,;20.37,5.3,)|

Cc1ccc(Cl)c(c1)-c1c-2c(CCc3cnc(Nc4ccccc4)nc-23)nn1C |(-1.48,-1.84,;.01,-2.24,;.41,-3.73,;1.9,-4.13,;2.99,-3.04,;4.47,-3.44,;2.59,-1.55,;1.1,-1.15,;3.68,-.46,;3.36,1.05,;4.69,1.82,;4.69,3.36,;3.36,4.13,;2.02,3.36,;.69,4.13,;-.64,3.36,;-.64,1.82,;-1.98,1.05,;-3.31,1.82,;-4.65,1.05,;-5.98,1.82,;-5.98,3.36,;-4.65,4.13,;-3.31,3.36,;.69,1.05,;2.02,1.82,;5.84,.79,;5.21,-.62,;5.98,-1.96,)|

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

Cc1ccc(N2CCC(CC2)N2CCN(CC2)C(=O)N2CCOCC2)c2nc([nH]c12)-c1c(N[C@@H](CO)Cc2ccccc2Br)cc[nH]c1=O |r|

Cc1ccc(N2CCN(CC(O)c3ccc(Br)cc3)CC2)c(C)c1

Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

Cc1ccc(NC(=O)Nc2nnc(Sc3ncnc4cc(OCCCN5CCOCC5)ccc34)s2)cc1

Cc1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc([nH]n3)C3CC3)c3cccn3n2)cc1 |r|

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cccc2c(N)nccc12

Cc1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:16.16|

Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(CC1)C(=O)CN

Cc1ccc(\C=C2\C(=O)Nc3ccccc23)o1

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

Cc1ccc(cc1)C(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12

Cc1ccc(cc1)C(O)CNc1cc[nH]c(=O)c1-c1nc2cc(cc(C)c2[nH]1)-n1ccnc1

Cc1ccc(cc1)S(O)(=O)=O.Cc1ccsc1C(=O)Nc1cc(CN2CCN(CC2)C(=O)CO)ccc1\C=C\c1n[nH]c2ccccc12

Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1

Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1

Cc1cccc(-c2c-3c(CCc4cnc(Nc5ccccc5)nc-34)nn2C)c1Cl |(2.3,-4.87,;1.9,-3.38,;.41,-2.98,;.01,-1.5,;1.1,-.41,;2.59,-.81,;3.68,.28,;3.36,1.79,;4.69,2.56,;4.69,4.1,;3.36,4.87,;2.02,4.1,;.69,4.87,;-.64,4.1,;-.64,2.56,;-1.98,1.79,;-3.31,2.56,;-4.65,1.79,;-5.98,2.56,;-5.98,4.1,;-4.65,4.87,;-3.31,4.1,;.69,1.79,;2.02,2.56,;5.84,1.53,;5.21,.12,;5.98,-1.21,;2.99,-2.29,;4.47,-2.69,)|

Cc1cccc(Cc2c-3c(CCc4cnc(Nc5ccn(C)n5)nc-34)nn2C)c1

Cc1cccc(Cc2c-3c(CCc4cnc(Nc5cnn(C)c5)nc-34)nn2C)c1

Cc1cccc(Cc2nc3ccc(cc3[nH]2)-c2nn([C@H]3CC[C@@H](CC3)N3CCOCC3)c3ncnc(N)c23)c1 |wU:19.20,wD:22.27,(21.31,-16.73,;20.16,-17.76,;20.48,-19.28,;19.33,-20.3,;17.87,-19.82,;17.56,-18.31,;16.1,-17.83,;14.95,-18.85,;13.44,-18.52,;12.66,-19.86,;11.15,-20.18,;10.68,-21.65,;11.71,-22.78,;13.22,-22.47,;13.69,-21.01,;15.1,-20.39,;11.24,-24.24,;12.15,-25.5,;11.24,-26.76,;11.72,-28.22,;13.23,-28.53,;13.7,-30,;12.67,-31.15,;11.16,-30.82,;10.69,-29.36,;13.14,-32.61,;12.1,-33.75,;12.57,-35.21,;14.07,-35.55,;15.11,-34.41,;14.64,-32.93,;9.76,-26.28,;8.43,-27.05,;7.1,-26.28,;7.1,-24.73,;8.42,-23.96,;8.42,-22.42,;9.76,-24.72,;18.7,-17.29,)|

Cc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:17.17|

Cc1cccc(c1)C(O)CNc1cc[nH]c(=O)c1-c1nc2cc(cc(C)c2[nH]1)-n1ccnc1

Cc1cccc2NC(=O)\C(=C/c3ccc(cc3)N3CCN(CC3)C=O)c12

Cc1cccc2NC(=O)\C(=C/c3ccc(cc3)N3CCOCC3)c12

Cc1cccc2NC(=O)\C(=C/c3ccc[nH]3)c12

Cc1cccc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O

Cc1ccccc1-c1c-2c(CCc3cnc(Nc4ccc(OCCCN5CCCC5)cc4Cl)nc-23)nn1C |(7.17,-3.44,;5.68,-3.04,;4.59,-4.13,;3.11,-3.73,;2.71,-2.24,;3.8,-1.15,;5.28,-1.55,;6.37,-.46,;6.05,1.05,;7.39,1.82,;7.39,3.36,;6.05,4.13,;4.72,3.36,;3.38,4.13,;2.05,3.36,;2.05,1.82,;.72,1.05,;-.62,1.82,;-.62,3.36,;-1.95,4.13,;-3.28,3.36,;-4.62,4.13,;-5.95,3.36,;-5.95,1.82,;-7.28,1.05,;-7.28,-.49,;-8.53,-1.4,;-8.05,-2.86,;-6.51,-2.86,;-6.04,-1.4,;-3.28,1.82,;-1.95,1.05,;-1.95,-.49,;3.38,1.05,;4.72,1.82,;8.53,.79,;7.9,-.62,;8.3,-2.11,)|

Cc1ccccc1-c1c-2c(CCc3cnc(Nc4ccc(cc4Cl)C(=O)NC4CCN(CC4)C4CC4)nc-23)nn1C |(9.25,-5.26,;7.76,-4.86,;6.67,-5.95,;5.18,-5.55,;4.78,-4.06,;5.87,-2.97,;7.36,-3.37,;8.45,-2.28,;8.13,-.78,;9.46,-.01,;9.46,1.53,;8.13,2.3,;6.79,1.53,;5.46,2.3,;4.13,1.53,;4.13,-.01,;2.79,-.78,;1.46,-.01,;1.46,1.53,;.13,2.3,;-1.21,1.53,;-1.21,-.01,;.13,-.78,;.13,-2.32,;-2.54,2.3,;-2.54,3.84,;-3.88,1.53,;-5.21,2.3,;-5.21,3.84,;-6.54,4.61,;-7.88,3.84,;-7.88,2.3,;-6.54,1.53,;-9.21,4.61,;-9.98,5.95,;-10.75,4.61,;5.46,-.78,;6.79,-.01,;10.61,-1.04,;9.98,-2.44,;10.75,-3.78,)|

Cc1ccccc1-c1c-2c(CCc3cnc(Nc4ccc(cc4Cl)C(=O)NC4CCN(CC4)C4CCOCC4)nc-23)nn1C |(9.81,-5.75,;8.32,-5.35,;7.23,-6.44,;5.75,-6.04,;5.35,-4.55,;6.44,-3.46,;7.92,-3.86,;9.01,-2.77,;8.69,-1.26,;10.03,-.49,;10.03,1.05,;8.69,1.82,;7.36,1.05,;6.02,1.82,;4.69,1.05,;4.69,-.49,;3.36,-1.26,;2.02,-.49,;2.02,1.05,;.69,1.82,;-.64,1.05,;-.64,-.49,;.69,-1.26,;.69,-2.8,;-1.98,1.82,;-1.98,3.36,;-3.31,1.05,;-4.65,1.82,;-4.65,3.36,;-5.98,4.13,;-7.31,3.36,;-7.31,1.82,;-5.98,1.05,;-8.65,4.13,;-8.65,5.67,;-9.98,6.44,;-11.31,5.67,;-11.31,4.13,;-9.98,3.36,;6.02,-1.26,;7.36,-.49,;11.17,-1.52,;10.54,-2.93,;11.31,-4.27,)|

Cc1ccccc1-c1c-2c(CCc3cnc(Nc4ccc(cc4Cl)C(=O)NC4CCN(CCO)CC4)nc-23)nn1C |(9.14,-4.59,;7.65,-4.19,;6.57,-5.28,;5.08,-4.88,;4.68,-3.39,;5.77,-2.31,;7.26,-2.7,;8.35,-1.62,;8.02,-.11,;9.36,.66,;9.36,2.2,;8.02,2.97,;6.69,2.2,;5.36,2.97,;4.02,2.2,;4.02,.66,;2.69,-.11,;1.36,.66,;1.36,2.2,;.02,2.97,;-1.31,2.2,;-1.31,.66,;.02,-.11,;.02,-1.65,;-2.64,2.97,;-2.64,4.51,;-3.98,2.2,;-5.31,2.97,;-5.31,4.51,;-6.65,5.28,;-7.98,4.51,;-9.31,5.28,;-10.65,4.51,;-10.65,2.97,;-7.98,2.97,;-6.65,2.2,;5.36,-.11,;6.69,.66,;10.5,-.37,;9.88,-1.78,;10.65,-3.11,)|

Cc1ccccc1-c1c-2c(CCc3cnc(Nc4ccc(cc4Cl)C(O)=O)nc-23)nn1C |(5.81,-4.21,;4.32,-3.81,;3.23,-4.9,;1.74,-4.5,;1.35,-3.01,;2.43,-1.92,;3.92,-2.32,;5.01,-1.23,;4.69,.28,;6.02,1.05,;6.02,2.59,;4.69,3.36,;3.36,2.59,;2.02,3.36,;.69,2.59,;.69,1.05,;-.64,.28,;-1.98,1.05,;-1.98,2.59,;-3.31,3.36,;-4.65,2.59,;-4.65,1.05,;-3.31,.28,;-3.31,-1.26,;-5.98,3.36,;-7.31,2.59,;-5.98,4.9,;2.02,.28,;3.36,1.05,;7.17,.02,;6.54,-1.39,;7.31,-2.73,)|

Cc1ccccc1-c1c-2c(CCc3cnc(Nc4ccccc4)nc-23)nn1C |(4.47,-3.44,;2.99,-3.04,;1.9,-4.13,;.41,-3.73,;.01,-2.24,;1.1,-1.15,;2.59,-1.55,;3.68,-.46,;3.36,1.05,;4.69,1.82,;4.69,3.36,;3.36,4.13,;2.02,3.36,;.69,4.13,;-.64,3.36,;-.64,1.82,;-1.98,1.05,;-3.31,1.82,;-4.65,1.05,;-5.98,1.82,;-5.98,3.36,;-4.65,4.13,;-3.31,3.36,;.69,1.05,;2.02,1.82,;5.84,.79,;5.21,-.62,;5.98,-1.96,)|

Cc1ccccc1-c1c-2c(CCc3cnc(Nc4ccnn4C)nc-23)nn1C |(4.33,-3.44,;2.84,-3.04,;1.75,-4.13,;.26,-3.73,;-.14,-2.24,;.95,-1.15,;2.44,-1.55,;3.53,-.46,;3.21,1.05,;4.54,1.82,;4.54,3.36,;3.21,4.13,;1.87,3.36,;.54,4.13,;-.79,3.36,;-.79,1.82,;-2.13,1.05,;-3.46,1.82,;-3.46,3.36,;-4.92,3.83,;-5.83,2.59,;-4.92,1.34,;-5.69,.01,;.54,1.05,;1.87,1.82,;5.69,.79,;5.06,-.62,;5.83,-1.96,)|

Cc1ccccc1C[C@@H](CO)Nc1cc[nH]c(=O)c1-c1nc2cc(cc(C)c2[nH]1)-n1ccnc1

Cc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCOCC2)c2ncnc(N)c12 |wU:20.22,wD:23.29,(34.72,-36.57,;35.03,-38.07,;36.49,-38.55,;36.81,-40.07,;35.66,-41.09,;34.2,-40.61,;33.89,-39.1,;32.43,-38.62,;31.28,-39.64,;29.77,-39.31,;28.99,-40.65,;27.48,-40.97,;27.01,-42.44,;28.04,-43.57,;29.55,-43.25,;30.02,-41.8,;31.44,-41.18,;27.57,-45.03,;28.48,-46.29,;27.57,-47.54,;28.05,-49.01,;29.56,-49.32,;30.03,-50.79,;29,-51.94,;27.49,-51.61,;27.02,-50.15,;29.47,-53.4,;28.43,-54.54,;28.9,-56,;30.4,-56.34,;31.44,-55.2,;30.98,-53.72,;26.09,-47.07,;24.76,-47.84,;23.43,-47.07,;23.43,-45.52,;24.75,-44.75,;24.75,-43.21,;26.09,-45.51,)|

Cc1ccccc1Nc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:18.19|

Cc1ccccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1

Cc1ccn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)n1

Cc1ccnn1CCNc1cc[nH]c(=O)c1-c1nc2c(C)cc(cc2[nH]1)N1CCOCC1

Cc1ccoc1-c1c-2c(CCc3cnc(Nc4ccccc4)nc-23)nn1C |(.28,-.32,;1.05,-1.65,;.57,-3.12,;1.82,-4.02,;3.06,-3.12,;2.59,-1.65,;3.68,-.56,;3.36,.94,;4.69,1.71,;4.69,3.25,;3.36,4.02,;2.02,3.25,;.69,4.02,;-.64,3.25,;-.64,1.71,;-1.98,.94,;-3.31,1.71,;-4.65,.94,;-5.98,1.71,;-5.98,3.25,;-4.65,4.02,;-3.31,3.25,;.69,.94,;2.02,1.71,;5.84,.68,;5.21,-.72,;5.98,-2.06,)|

Cc1ccsc1-c1c-2c(CCc3cnc(Nc4ccccc4)nc-23)nn1C |(.28,-.32,;1.05,-1.65,;.57,-3.12,;1.82,-4.02,;3.06,-3.12,;2.59,-1.65,;3.68,-.56,;3.36,.94,;4.69,1.71,;4.69,3.25,;3.36,4.02,;2.02,3.25,;.69,4.02,;-.64,3.25,;-.64,1.71,;-1.98,.94,;-3.31,1.71,;-3.31,3.25,;-4.65,4.02,;-5.98,3.25,;-5.98,1.71,;-4.65,.94,;.69,.94,;2.02,1.71,;5.84,.68,;5.21,-.72,;5.98,-2.06,)|

Cc1ccsc1-c1c-2c(CCc3cnc(Nc4cnn(C)c4)nc-23)nn1C |(.13,-.84,;.9,-2.17,;.42,-3.64,;1.67,-4.54,;2.92,-3.64,;2.44,-2.17,;3.53,-1.08,;3.21,.42,;4.54,1.19,;4.54,2.73,;3.21,3.5,;1.87,2.73,;.54,3.5,;-.79,2.73,;-.79,1.19,;-2.13,.42,;-3.46,1.19,;-4.92,.72,;-5.83,1.96,;-4.92,3.21,;-5.69,4.54,;-3.46,2.73,;.54,.42,;1.87,1.19,;5.69,.16,;5.06,-1.24,;5.83,-2.58,)|

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1

Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1

Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

Cc1cncc(Oc2ccc(NC(=O)Nc3cc(C)nc4ccccc34)cc2)n1

Cc1cncc(Oc2ccc(NC(=O)Nc3cc(C)nc4ncccc34)cc2)n1

Cc1cncc(Oc2ccc(NC(=O)Nc3cc(Cl)nc4ccccc34)cc2)n1

Cc1cncc(Oc2ccc(NC(=O)Nc3cc(nc4ccccc34)C(F)(F)F)cc2)n1

Cc1cncc(Oc2ccc(cc2)C(=O)NNC(=O)C(=O)c2c[nH]c3ccccc23)n1

Cc1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1

Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O |r|

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O |r|

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

Cc1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12

Cc1nc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c(Cl)n1C

Cc1nc(Cc2nc3ccc(cc3[nH]2)-c2nn([C@H]3CC[C@@H](CC3)N3CCOCC3)c3ncnc(N)c23)cs1 |wU:17.18,wD:20.25,(3.49,-42.17,;2.59,-40.92,;1.05,-40.91,;.58,-39.45,;-.88,-38.97,;-2.03,-40,;-3.54,-39.67,;-4.32,-41,;-5.83,-41.33,;-6.3,-42.79,;-5.27,-43.92,;-3.76,-43.61,;-3.29,-42.15,;-1.88,-41.53,;-5.74,-45.39,;-4.83,-46.64,;-5.74,-47.9,;-5.26,-49.36,;-3.75,-49.67,;-3.28,-51.14,;-4.31,-52.29,;-5.82,-51.96,;-6.29,-50.5,;-3.84,-53.75,;-4.88,-54.89,;-4.41,-56.35,;-2.91,-56.68,;-1.87,-55.55,;-2.34,-54.07,;-7.22,-47.42,;-8.55,-48.19,;-9.88,-47.42,;-9.88,-45.87,;-8.56,-45.1,;-8.56,-43.56,;-7.22,-45.87,;1.83,-38.55,;3.07,-39.46,)|

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

Cc1nc(no1)-c1ccc(cc1)C(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12

Cc1nc2cc3nc(cnc3cc2n1C)-c1cccs1

Cc1nccc(n1)-c1c[nH]c2cnccc12

Cc1nccc(n1)-c1cn(Cc2ccccc2)c2cnccc12

Cc1nccc2c(c[nH]c12)-c1ccnc(n1)-c1ccc(cc1)S(C)(=O)=O

Cc1nn(C2CCN(CC2)C(=O)CN)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

Cc1nn(C2CCN(CCO)CC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

Cc1nn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)cc1Br

Cc1nn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)cc1Cl

Cc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCNCC1

Cc1nnn(n1)[C@H]1C[C@H](N(C1)c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

Cc1noc(C)c1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl |(-2.13,4.13,;-3.46,3.36,;-4.92,3.83,;-5.83,2.59,;-4.92,1.34,;-5.69,.01,;-3.46,1.82,;-2.13,1.05,;-.79,1.82,;-.79,3.36,;.54,4.13,;1.87,3.36,;3.21,4.13,;4.54,3.36,;4.54,1.82,;5.69,.79,;5.06,-.62,;5.83,-1.96,;3.53,-.46,;3.21,1.05,;1.87,1.82,;.54,1.05,;2.44,-1.55,;.95,-1.15,;-.14,-2.24,;.26,-3.73,;1.75,-4.13,;2.84,-3.04,;4.33,-3.44,)|

Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|

Cl.CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3ccccc23)CC1

Cl.Cl.CN(C)c1ccc(CCCCCn2c3CCC(N)Cc3c3cc(OCCc4ccc(O)cc4)ccc23)cc1

Cl.Cl.NC1CCc2c(C1)c1cc(OCCc3ccc(O)cc3)ccc1n2CCCCCc1ccccn1

ClCCC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1

Clc1cc(NC(=O)Nc2ccc(cc2)-c2ncccn2)c2ccccc2n1

Clc1cc(NC(=O)Nc2cccc(c2)-c2ncccn2)c2ccccc2n1

Clc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1

Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3

Clc1ccc(-c2ccc(C=C3SC(=O)NC3=O)o2)c(Cl)c1 |w:9.8|

Clc1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1

Clc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1

Clc1ccc(CNc2ccnc3oc4ccccc4c23)cc1

Clc1ccc(COc2cccc(\C=C3/SC(=O)NC3=O)c2)c(Cl)c1

Clc1ccc(COc2ccccc2\C=C2\SC(=O)NC2=O)c(Cl)c1

Clc1ccc(NC(=O)Nc2cc(Cl)nc3ccccc23)cc1

Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1

Clc1ccc(NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1

Clc1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:16.16|

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

Clc1ccc(\C=C2/SC(=O)NC2=O)c(Cl)c1

Clc1ccc(\C=C2\SC(=O)NC2=O)cc1Cl

Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1

Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1

Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1

Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

Clc1ccc(cc1)C(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12

Clc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCCCC1 |c:10|

Clc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCOCC1 |c:10|

Clc1ccc(cc1Cl)-c1ccc(C=C2SC(=O)NC2=O)o1 |w:12.12|

Clc1ccc2NC(=O)\C(=C/c3ccc(cc3)N3CCOCC3)c2c1

Clc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1

Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1

Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1

Clc1cccc(-c2ccc(C=C3SC(=O)NC3=O)o2)c1Cl |w:10.9|

Clc1cccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)c1

Clc1cccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1

Clc1cccc(CNc2ccnc3oc4ccccc4c23)c1

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

Clc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)c1

Clc1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1

Clc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:17.17|

Clc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccccc4)c3c2)c1 |w:17.17|

Clc1cccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)c1

Clc1ccccc1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccccc2)n1

Clc1ccccc1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccncc1

Clc1ccccc1COc1ccc(\C=C2\SC(=O)NC2=O)cc1

Clc1ccccc1Nc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:18.19|

Clc1cn[nH]c1C=C1C(=O)Nc2ccccc12 |w:6.6|

Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1

Clc1nc(Nc2cc([nH]n2)-c2ccco2)c2cccn2n1

Cn1c(Cc2ccccc2)nc2cc(ccc12)-c1nn([C@H]2CC[C@@H](CC2)N2CCOCC2)c2ncnc(N)c12 |wU:20.22,wD:23.29,(-4.36,-36.82,;-3.75,-38.23,;-2.24,-38.56,;-1.09,-37.54,;.38,-38.02,;.68,-39.53,;2.14,-40.01,;3.3,-38.99,;2.98,-37.47,;1.52,-37,;-2.08,-40.1,;-3.5,-40.72,;-3.97,-42.18,;-5.47,-42.49,;-6.51,-41.36,;-6.04,-39.9,;-4.53,-39.57,;-5.95,-43.96,;-5.03,-45.21,;-5.95,-46.47,;-5.47,-47.93,;-3.96,-48.24,;-3.49,-49.72,;-4.52,-50.86,;-6.03,-50.53,;-6.5,-49.07,;-4.05,-52.33,;-5.08,-53.47,;-4.62,-54.93,;-3.11,-55.26,;-2.08,-54.12,;-2.54,-52.65,;-7.42,-45.99,;-8.76,-46.76,;-10.09,-45.99,;-10.09,-44.44,;-8.76,-43.67,;-8.77,-42.13,;-7.42,-44.44,)|

Cn1c(NC(=O)[C@H]2CC[C@@H](CC2)c2nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c3c(N)nccn23)nc2ccccc12 |r,wU:9.12,wD:6.5,(31.09,-42.68,;30.06,-41.52,;28.53,-41.68,;27.74,-43,;26.2,-42.98,;25.41,-44.31,;25.72,-41.52,;26.75,-40.37,;26.27,-38.9,;24.76,-38.6,;23.73,-39.74,;24.21,-41.2,;24.27,-37.14,;25.17,-35.88,;24.26,-34.64,;25.03,-33.31,;24.26,-31.98,;25.03,-30.65,;26.58,-30.65,;27.34,-29.32,;28.87,-29.32,;29.64,-30.65,;28.87,-31.98,;27.34,-31.98,;26.57,-33.32,;27.34,-34.65,;31.18,-30.65,;31.95,-31.99,;33.49,-31.99,;34.26,-30.65,;33.48,-29.31,;31.94,-29.32,;22.79,-35.12,;21.46,-34.36,;21.45,-32.82,;20.13,-35.13,;20.13,-36.68,;21.46,-37.45,;22.8,-36.67,;27.92,-40.25,;29.08,-39.24,;29.09,-37.71,;30.42,-36.95,;31.75,-37.73,;31.73,-39.27,;30.4,-40.02,)|

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

Cn1cc(-c2ccnc(n2)-c2ccc(cc2)S(C)(=O)=O)c2ccncc12

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(Cl)c(\C=C2/C(=O)Nc3ccccc23)n1

Cn1cc(Nc2ncc3CCc4nn(C)c(-c5sccc5Cl)c4-c3n2)cn1 |(-5.69,4.54,;-4.92,3.21,;-3.46,2.73,;-3.46,1.19,;-2.13,.42,;-.79,1.19,;-.79,2.73,;.54,3.5,;1.87,2.73,;3.21,3.5,;4.54,2.73,;4.54,1.19,;5.69,.16,;5.06,-1.24,;5.83,-2.58,;3.53,-1.08,;2.44,-2.17,;2.92,-3.64,;1.67,-4.54,;.42,-3.64,;.9,-2.17,;.13,-.84,;3.21,.42,;1.87,1.19,;.54,.42,;-4.92,.72,;-5.83,1.96,)|

Cn1cc(Nc2ncc3CCc4nn(C)c(Cc5cccc(Cl)c5)c4-c3n2)cn1

Cn1cc(Nc2ncc3CCc4nn(C)c(Cc5cccc(c5)C(F)(F)F)c4-c3n2)cn1

Cn1cc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(Cl)cc2)cn1

Cn1cc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccccc2)cn1

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

Cn1cc(cn1)-c1cnc(Nc2cccc(Cn3nc(ccc3=O)-c3cnn(C)c3)c2)nc1

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|

Cn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(Cl)c5)c4-c3n2)n1

Cn1ccc(Nc2ncc3CCc4nn(C)c(Cc5cccc(c5)C(F)(F)F)c4-c3n2)n1

Cn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(Cl)cc2)n1

Cn1ccc(Nc2ncc3CCc4nn(C)c(c4-c3n2)-c2ccc(F)cc2)n1

Cn1ccc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2c1=O |r,wU:14.13,17.17,(14.79,-47.72,;13.46,-48.49,;13.46,-50.03,;12.13,-50.8,;10.79,-50.04,;9.46,-50.81,;8.13,-50.04,;6.8,-50.81,;5.46,-50.05,;4.13,-50.82,;2.79,-50.05,;2.79,-48.5,;4.12,-47.73,;4.12,-46.19,;5.45,-45.42,;6.78,-46.19,;8.11,-45.42,;8.11,-43.88,;9.45,-43.11,;6.78,-43.11,;5.44,-43.88,;5.46,-48.5,;1.46,-47.73,;1.46,-46.19,;.13,-48.5,;.12,-46.96,;8.12,-48.51,;9.45,-47.73,;10.79,-48.5,;12.12,-47.72,;12.12,-46.18,)|

Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12

Cn1cccc1\C=C1/C(=O)Nc2ccccc12

Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12

Cn1nc(cc1NC(=O)[C@]1(C)CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C1CC1 |r|

Cn1nc(cc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C(C)(C)C |(-.59,4.13,;-1.92,3.36,;-3.38,3.83,;-4.29,2.59,;-3.38,1.34,;-1.92,1.82,;-.59,1.05,;.75,1.82,;.75,3.36,;2.08,4.13,;3.41,3.36,;4.75,4.13,;6.08,3.36,;6.08,1.82,;7.23,.79,;6.6,-.62,;7.37,-1.96,;5.07,-.46,;4.75,1.05,;3.41,1.82,;2.08,1.05,;3.98,-1.55,;2.49,-1.15,;1.4,-2.24,;1.8,-3.73,;3.29,-4.13,;4.38,-3.04,;5.87,-3.44,;-5.83,2.59,;-7.37,2.59,;-5.83,4.13,;-5.83,1.05,)|

Cn1nc(cc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl)C1CC1 |(-.69,4.13,;-2.02,3.36,;-3.49,3.83,;-4.39,2.59,;-3.49,1.34,;-2.02,1.82,;-.69,1.05,;.64,1.82,;.64,3.36,;1.98,4.13,;3.31,3.36,;4.65,4.13,;5.98,3.36,;5.98,1.82,;7.12,.79,;6.5,-.62,;7.27,-1.96,;4.97,-.46,;4.65,1.05,;3.31,1.82,;1.98,1.05,;3.88,-1.55,;2.39,-1.15,;1.3,-2.24,;1.7,-3.73,;3.19,-4.13,;4.27,-3.04,;5.76,-3.44,;-5.93,2.59,;-7.27,3.36,;-7.27,1.82,)|

Cn1nc2CCc3cnc(Nc4ccc(cc4Cl)C(O)=O)nc3-c2c1Cc1ccccc1

Cn1nc2CCc3cnc(Nc4cccc5CCOc45)nc3-c2c1-c1ccccc1

Cn1nc2CCc3cnc(Nc4cccc5cc(sc45)C(O)=O)nc3-c2c1Cc1ccccc1

Cn1nc2CCc3cnc(Nc4cccc5ccccc45)nc3-c2c1Cc1ccccc1

Cn1nc2CCc3cnc(Nc4cccc5cnccc45)nc3-c2c1Cc1ccccc1

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1-c1ccc(F)cc1Cl |(5.98,-1.61,;5.21,-.28,;5.84,1.13,;4.69,2.16,;4.69,3.7,;3.36,4.47,;2.02,3.7,;.69,4.47,;-.64,3.7,;-.64,2.16,;-1.98,1.39,;-3.31,2.16,;-4.65,1.39,;-5.98,2.16,;-5.98,3.7,;-4.65,4.47,;-3.31,3.7,;.69,1.39,;2.02,2.16,;3.36,1.39,;3.68,-.12,;2.59,-1.2,;1.1,-.81,;.01,-1.89,;.41,-3.38,;-.68,-4.47,;1.9,-3.78,;2.99,-2.69,;4.47,-3.09,)|

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1-c1ccccc1

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1-c1ccccc1C#N |(5.98,-1.96,;5.21,-.62,;5.84,.79,;4.69,1.82,;4.69,3.36,;3.36,4.13,;2.02,3.36,;.69,4.13,;-.64,3.36,;-.64,1.82,;-1.98,1.05,;-3.31,1.82,;-4.65,1.05,;-5.98,1.82,;-5.98,3.36,;-4.65,4.13,;-3.31,3.36,;.69,1.05,;2.02,1.82,;3.36,1.05,;3.68,-.46,;2.59,-1.55,;1.1,-1.15,;.01,-2.24,;.41,-3.73,;1.9,-4.13,;2.99,-3.04,;4.47,-3.44,;5.96,-3.83,)|

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1-c1ccccc1Cl |(5.98,-1.96,;5.21,-.62,;5.84,.79,;4.69,1.82,;4.69,3.36,;3.36,4.13,;2.02,3.36,;.69,4.13,;-.64,3.36,;-.64,1.82,;-1.98,1.05,;-3.31,1.82,;-3.31,3.36,;-4.65,4.13,;-5.98,3.36,;-5.98,1.82,;-4.65,1.05,;.69,1.05,;2.02,1.82,;3.36,1.05,;3.68,-.46,;2.59,-1.55,;1.1,-1.15,;.01,-2.24,;.41,-3.73,;1.9,-4.13,;2.99,-3.04,;4.47,-3.44,)|

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1-c1ccccc1I |(5.98,-1.96,;5.21,-.62,;5.84,.79,;4.69,1.82,;4.69,3.36,;3.36,4.13,;2.02,3.36,;.69,4.13,;-.64,3.36,;-.64,1.82,;-1.98,1.05,;-3.31,1.82,;-4.65,1.05,;-5.98,1.82,;-5.98,3.36,;-4.65,4.13,;-3.31,3.36,;.69,1.05,;2.02,1.82,;3.36,1.05,;3.68,-.46,;2.59,-1.55,;1.1,-1.15,;.01,-2.24,;.41,-3.73,;1.9,-4.13,;2.99,-3.04,;4.47,-3.44,)|

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1-c1ccco1

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1-c1sccc1Cl |(5.98,-2.06,;5.21,-.72,;5.84,.68,;4.69,1.71,;4.69,3.25,;3.36,4.02,;2.02,3.25,;.69,4.02,;-.64,3.25,;-.64,1.71,;-1.98,.94,;-3.31,1.71,;-3.31,3.25,;-4.65,4.02,;-5.98,3.25,;-5.98,1.71,;-4.65,.94,;.69,.94,;2.02,1.71,;3.36,.94,;3.68,-.56,;2.59,-1.65,;3.06,-3.12,;1.82,-4.02,;.57,-3.12,;1.05,-1.65,;.28,-.32,)|

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1C(C)(C)C

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1C1CCC1

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1C1CCCCC1

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1CC1CC1

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1CCc1ccccc1

Cn1nc2CCc3cnc(Nc4ccccc4)nc3-c2c1Cc1ccccc1

Cn1nc2CCc3cnc(Nc4ccccc4Cl)nc3-c2c1-c1ccccc1

Cn1nc2CCc3cnc(Nc4ccccc4Cl)nc3-c2c1Cc1ccccc1

Cn1nc2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c2c1-c1ccccc1

Cn1nc2CCc3cnc(Nc4ccccc4OCC=C)nc3-c2c1-c1ccccc1

Cn1nc2CCc3cnc(Nc4ccn(CCN5CCCC5)n4)nc3-c2c1-c1ccccc1

Cn1nc2CCc3cnc(Nc4ccn(CCN5CCN(CCO)CC5)n4)nc3-c2c1-c1ccccc1

Cn1nc2CCc3cnc(Nc4ccn(CCN5CCNCC5)n4)nc3-c2c1-c1ccccc1

Cn1nc2CCc3cnc(Nc4ccn(CCN5CCOCC5)n4)nc3-c2c1-c1ccccc1

Cn1nc2CCc3cnc(Nc4ccn(Cc5ccncc5)n4)nc3-c2c1Cc1ccccc1Cl

Cn1nc2CCc3cnc(Nc4ccon4)nc3-c2c1Cc1ccccc1

Cn1nc2CCc3cnc(Nc4cnc5ccccn45)nc3-c2c1-c1ccccc1Cl |(6.91,-1.96,;6.14,-.62,;6.77,.79,;5.62,1.82,;5.62,3.36,;4.29,4.13,;2.95,3.36,;1.62,4.13,;.29,3.36,;.29,1.82,;-1.05,1.05,;-2.38,1.82,;-2.38,3.36,;-3.85,3.83,;-4.75,2.59,;-6.28,2.42,;-6.91,1.02,;-6,-.23,;-4.47,-.07,;-3.85,1.34,;1.62,1.05,;2.95,1.82,;4.29,1.05,;4.61,-.46,;3.52,-1.55,;2.03,-1.15,;.94,-2.24,;1.34,-3.73,;2.83,-4.13,;3.92,-3.04,;5.4,-3.44,)|

Cn1nc2CCc3cnc(Nc4nn(C)c5ccccc45)nc3-c2c1-c1ccccc1Cl |(6.91,-2.47,;6.14,-1.14,;6.77,.27,;5.62,1.3,;5.62,2.84,;4.29,3.61,;2.95,2.84,;1.62,3.61,;.29,2.84,;.29,1.3,;-1.05,.53,;-2.38,1.3,;-2.38,2.84,;-3.85,3.31,;-4.62,4.65,;-4.75,2.07,;-6.28,1.91,;-6.91,.5,;-6,-.75,;-4.47,-.59,;-3.85,.82,;1.62,.53,;2.95,1.3,;4.29,.53,;4.61,-.98,;3.52,-2.07,;2.03,-1.67,;.94,-2.76,;1.34,-4.25,;2.83,-4.65,;3.92,-3.56,;5.4,-3.96,)|

Cn1nccc1Nc1ncc2CCc3nn(C)c(Cc4ccccc4)c3-c2n1

Cn1nccc1Nc1ncc2CCc3nn(C)c(c3-c2n1)-c1ccccc1Cl |(-5.69,.01,;-4.92,1.34,;-5.83,2.59,;-4.92,3.83,;-3.46,3.36,;-3.46,1.82,;-2.13,1.05,;-.79,1.82,;-.79,3.36,;.54,4.13,;1.87,3.36,;3.21,4.13,;4.54,3.36,;4.54,1.82,;5.69,.79,;5.06,-.62,;5.83,-1.96,;3.53,-.46,;3.21,1.05,;1.87,1.82,;.54,1.05,;2.44,-1.55,;.95,-1.15,;-.14,-2.24,;.26,-3.73,;1.75,-4.13,;2.84,-3.04,;4.33,-3.44,)|

FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1

FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12

FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12

FC(F)(F)Oc1ccc(NC(=O)Nc2cc(Cl)nc3ccccc23)cc1

FC(F)(F)Oc1ccc(NC(=O)Nc2cc(nc3ccccc23)C(F)(F)F)cc1

FC(F)(F)Oc1cccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)c1

FC(F)(F)c1cc(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2n1

FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl

FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)-c2ncccn2)c2ccccc2n1

FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)-c2ncccn2)c2ccccc2n1

FC(F)(F)c1ccc(cc1)C(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12

FC(F)(F)c1cccc(NC(=O)Nc2cccc(Nc3ccc4\C(=C\c5ccc[nH]5)C(=O)Nc4c3)c2)c1

FC(F)(F)c1cccc(NC(=O)c2ccc(C3CC3)c(c2)-c2ccc3nc(Nc4cnn(c4)C4CC4)ncc3c2)c1

FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1

FC(F)(F)c1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:20.20|

FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1

FC(F)(F)c1cccc(OCc2cccc(c2)-c2ccc(cc2)C(=O)NNC(=O)C(=O)c2c[nH]c3ccccc23)c1

FC(F)(F)c1cccc(OCc2ccccc2-c2ccc(cc2)C(=O)NNC(=O)C(=O)c2c[nH]c3ccccc23)c1

FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1

FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1

F[C@@H]1C[C@H](N(C1)c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ncns1 |r|

F[C@H]1C[C@H](N(C1)c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ncns1 |r|

Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1

Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(CN5CCCCC5)cc4NC4CCOCC4)c3c2)c1

Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1

Fc1cc(\C=C2\SC(=O)NC2=O)ccc1N1CCCC1

Fc1cc(ccc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1)C(F)(F)F

Fc1cc(ccc1Nc1ncnc2cc(Cl)ccc12)-c1nc2ccccc2s1

Fc1cc(ccc1Nc1ncnc2ccsc12)-c1nc2ccccc2s1

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

Fc1ccc(COc2ccccc2-c2ccc(cc2)C(=O)NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1

Fc1ccc(NC(=O)C2=C(CCC2)c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1 |t:8|

Fc1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc([nH]n3)C3CC3)c3cccn3n2)cn1 |r|

Fc1ccc(NC(=O)[C@@H]2CCC[C@H]2c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1 |r|

Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)NCCN4CCCC4)cc23)cc1Cl |r|

Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl

Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl

Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|

Fc1ccc(cc1)-c1ccc(C=C2SC(=O)NC2=O)o1 |w:11.11|

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

Fc1ccc(cc1)-c1csc(n1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1 |c:15|

Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4scc(-c5ccccc5)c34)c(F)c2)c1=O

Fc1ccc(cc1Cl)-c1ccc(C=C2SC(=O)NC2=O)o1 |w:12.12|

Fc1ccc(cn1)C(=O)N1CCC[C@@H]1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 |r|

Fc1ccc(cn1)C(=O)N1CCC[C@H]1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 |r|

Fc1ccc(cn1)C(=O)N1[C@@H](CCC1=O)c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 |r|

Fc1ccc(cn1)C(=O)NCc1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1

Fc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

Fc1ccc2ccn(-c3ccc(=O)n(CCOc4ccnc5cc(OCCCN6CCOCC6)ccc45)n3)c2c1

Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2cccc(CN3CCCC3)c2)n1

Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1

Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1

Fc1cccc(F)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2ccc(CCN3CCOCC3)cc2)n1

Fc1cccc(F)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)n1

Fc1cccc(F)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1

Fc1cccc(F)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2cccc(CN3CCCC3)c2)n1

Fc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:17.17|

Fc1cccc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c1

Fc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1

Fc1ccccc1C(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12

Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2 |c:16|

Fc1ccccc1\C=C1/SC(=O)NC1=O

Ic1cc(\C=C(/C#N)c2ccccn2)ccc1Oc1ccccc1

Ic1ccc(NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1

Ic1ccc(cc1)C(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12

N#CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1

N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

N#Cc1ccc(cc1)-c1cnc2ccc(NCc3ccccc3)nn12

N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2[nH]ccc12

N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2ccsc12

N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2nc[nH]c12

N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2[nH]ccc12

N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2nc[nH]c12

N=C(Nc1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:17|

NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O

NC(=O)Cc1cccc(COc2cccc(c2)-c2nc(C3CCC3)n3ccnc(N)c23)c1

NC(=O)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|

NC(=O)[C@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|

NC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:6.9,wD:3.2,(26.07,-41.48,;24.53,-41.46,;23.74,-42.79,;24.05,-40,;25.07,-38.85,;24.6,-37.38,;23.09,-37.08,;22.06,-38.22,;22.54,-39.68,;22.6,-35.62,;23.5,-34.37,;22.59,-33.12,;23.36,-31.8,;22.59,-30.47,;23.36,-29.14,;24.9,-29.13,;25.67,-27.81,;27.2,-27.81,;27.97,-29.14,;27.2,-30.47,;25.67,-30.47,;24.9,-31.8,;25.67,-33.14,;29.5,-29.14,;30.27,-30.48,;31.81,-30.48,;32.58,-29.14,;31.8,-27.8,;30.27,-27.81,;21.13,-33.61,;19.79,-32.84,;19.79,-31.3,;18.46,-33.62,;18.46,-35.16,;19.79,-35.93,;21.13,-35.15,)|

NC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12 |wU:3.2,wD:6.9,(-2.55,-7.2,;-4.06,-6.88,;-5.09,-8.02,;-4.53,-5.41,;-6.03,-5.09,;-6.5,-3.63,;-5.47,-2.48,;-3.96,-2.8,;-3.49,-4.27,;-5.95,-1.01,;-5.03,.24,;-5.95,1.5,;-5.47,2.96,;-6.51,4.09,;-6.04,5.56,;-4.53,5.88,;-3.49,4.74,;-1.99,5.06,;-.96,3.92,;.55,4.24,;1.57,3.09,;3.08,3.41,;3.55,4.88,;2.51,6.02,;1.01,5.7,;-3.97,3.28,;-7.42,1.02,;-8.76,1.78,;-8.77,3.32,;-10.09,1.01,;-10.09,-.54,;-8.76,-1.31,;-7.42,-.54,)|

NC(=O)[C@H]1CC[C@H](CC1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12 |wU:6.9,3.2,(12.21,-8.62,;10.7,-8.29,;9.67,-9.43,;10.23,-6.82,;8.73,-6.5,;8.25,-5.04,;9.29,-3.89,;10.79,-4.21,;11.26,-5.68,;8.81,-2.43,;9.72,-1.17,;8.81,.09,;9.28,1.55,;8.25,2.68,;8.72,4.15,;10.23,4.47,;11.26,3.33,;12.77,3.65,;13.8,2.5,;15.31,2.82,;16.33,1.68,;17.83,2,;18.31,3.46,;17.27,4.61,;15.77,4.29,;10.79,1.86,;7.33,-.39,;5.99,.37,;5.99,1.91,;4.67,-.4,;4.67,-1.95,;6,-2.72,;7.33,-1.95,)|

NC(=O)[C@H]1C[C@@H](C1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12 |wU:5.7,wD:3.2,(-3.43,-24.86,;-4.94,-24.54,;-5.97,-25.68,;-5.41,-23.07,;-4.72,-21.7,;-6.09,-21.01,;-6.79,-22.38,;-6.56,-19.55,;-5.65,-18.29,;-6.56,-17.03,;-6.09,-15.57,;-7.12,-14.44,;-6.66,-12.97,;-5.14,-12.65,;-4.11,-13.79,;-2.6,-13.47,;-1.57,-14.62,;-.07,-14.3,;.96,-15.44,;2.46,-15.12,;2.94,-13.66,;1.9,-12.51,;.4,-12.83,;-4.59,-15.26,;-8.04,-17.52,;-9.38,-16.75,;-9.39,-15.21,;-10.71,-17.52,;-10.71,-19.07,;-9.38,-19.84,;-8.04,-19.07,)|

NC(=O)[C@H]1C[C@H](C1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12 |wU:5.7,3.2,(12.47,-26.27,;10.97,-25.95,;9.94,-27.1,;10.49,-24.49,;9.12,-23.79,;9.82,-22.42,;11.19,-23.11,;9.34,-20.96,;10.25,-19.7,;9.34,-18.45,;9.82,-16.98,;8.78,-15.85,;9.25,-14.39,;10.76,-14.06,;11.79,-15.2,;13.3,-14.88,;14.33,-16.03,;15.84,-15.71,;16.86,-16.85,;18.37,-16.53,;18.84,-15.07,;17.8,-13.92,;16.3,-14.25,;11.32,-16.67,;7.86,-18.93,;6.52,-18.16,;6.52,-16.62,;5.2,-18.93,;5.2,-20.48,;6.53,-21.25,;7.87,-20.48,)|

NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1

NC(=O)c1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:18.18|

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

NC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:9.9|

NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|

NC1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1

NC1CCc2[nH]c3ccc(OCCc4ccc(O)cc4)cc3c2C1

NC1CCc2c(C1)c1cc(OCCc3ccc(O)cc3)ccc1n2CCCCCc1ccc(cc1)C(F)(F)F

NC1CCc2c(C1)c1cc(OCCc3ccc(O)cc3)ccc1n2CCCCCc1ccccc1

NC1CCc2c(C1)c1cc(OCCc3ccc(O)cc3)ccc1n2CCCc1ccccc1

NC1CN(C1)C(=O)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|

NCCc1c[nH]c2ccc(O)cc12

NCCc1c[nH]c2ccc(OCCc3ccc(O)cc3)cc12

NCCc1cn(CCCCCc2ccccc2)c2ccc(OCCc3ccc(O)cc3)cc12

NCCc1cn(Cc2ccc(cc2)-c2cccc(c2)C(F)(F)F)c2ccc(OCCc3ccc(O)cc3)cc12

NCCc1cn(Cc2ccc(cc2)-c2ccccc2)c2ccc(OCCc3ccc(O)cc3)cc12

NC[C@H]1CCCN1C(=O)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|

NC[C@H]1CC[C@@H](CC1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12 |wU:2.1,wD:5.8,(13.4,-48.47,;11.89,-48.15,;11.42,-46.68,;9.92,-46.36,;9.44,-44.9,;10.48,-43.75,;11.98,-44.07,;12.45,-45.54,;10,-42.29,;10.91,-41.03,;10,-39.77,;10.47,-38.31,;9.44,-37.18,;9.91,-35.71,;11.42,-35.39,;12.45,-36.53,;13.96,-36.21,;14.99,-37.36,;16.5,-37.04,;17.52,-38.18,;19.02,-37.86,;19.5,-36.39,;18.46,-35.25,;16.96,-35.57,;11.98,-38,;8.52,-40.25,;7.18,-39.49,;7.18,-37.95,;5.86,-40.26,;5.86,-41.81,;7.19,-42.58,;8.52,-41.81,)|

NC[C@H]1CC[C@H](CC1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12 |wU:5.8,2.1,(30.07,-50.41,;28.57,-50.08,;28.1,-48.62,;26.59,-48.29,;26.12,-46.83,;27.15,-45.68,;28.66,-46,;29.13,-47.47,;26.68,-44.22,;27.59,-42.96,;26.67,-41.71,;27.15,-40.24,;26.12,-39.11,;26.58,-37.65,;28.1,-37.32,;29.13,-38.47,;30.63,-38.15,;31.66,-39.29,;33.17,-38.97,;34.19,-40.11,;35.7,-39.79,;36.18,-38.33,;35.14,-37.18,;33.63,-37.51,;28.65,-39.93,;25.2,-42.19,;23.86,-41.43,;23.85,-39.89,;22.53,-42.2,;22.53,-43.74,;23.86,-44.51,;25.2,-43.74,)|

NC[C@H]1C[C@H](C1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12 |wU:4.6,2.1,(-3.93,-46.02,;-5.43,-45.7,;-5.91,-44.24,;-7.28,-43.54,;-6.58,-42.18,;-5.21,-42.87,;-7.06,-40.71,;-6.15,-39.45,;-7.06,-38.2,;-6.59,-36.73,;-7.62,-35.6,;-7.15,-34.14,;-5.64,-33.81,;-4.61,-34.96,;-3.1,-34.64,;-2.07,-35.78,;-.56,-35.46,;.46,-36.61,;1.96,-36.29,;2.44,-34.82,;1.4,-33.67,;-.1,-34,;-5.08,-36.42,;-8.54,-38.68,;-9.88,-37.92,;-9.88,-36.38,;-11.2,-38.69,;-11.2,-40.23,;-9.87,-41,;-8.54,-40.23,)|

NCc1cc(cc2nc([nH]c12)-c1ccc[nH]c1=O)-n1ccnc1

NCc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1

NCc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cccc(Cl)c4)c3)c2c1

NCc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1

NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1

N[C@@H](CCCCN=CC1C(=O)Nc2ccc(Br)cc12)C(O)=O |r,w:7.7|

N[C@@H](CCCCN=CC1C(=O)Nc2ccccc12)C(O)=O |r,w:7.7|

N[C@@H](CCCN=CC1C(=O)Nc2ccc(Br)cc12)C(O)=O |r,w:6.6|

N[C@@H](CCCN=CC1C(=O)Nc2ccccc12)C(O)=O |r,w:6.6|

N[C@@H]1CCC(C1)C(=O)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|

N[C@@H]1CCCN(C1)C(=O)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|

N[C@H]1CCN(C1)C(=O)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|

N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|

Nc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1

Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1

Nc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:17.17|

Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1

Nc1ccccc1NC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:13.17,wD:10.10,(28.81,-26.74,;28.05,-25.39,;28.84,-24.07,;28.08,-22.73,;26.54,-22.71,;25.76,-24.04,;26.52,-25.37,;25.73,-26.69,;24.19,-26.68,;23.41,-28,;23.71,-25.21,;24.74,-24.06,;24.26,-22.6,;22.75,-22.3,;21.73,-23.44,;22.21,-24.89,;22.27,-20.83,;23.17,-19.58,;22.26,-18.34,;23.03,-17.01,;22.26,-15.69,;23.02,-14.35,;24.57,-14.35,;25.33,-13.03,;26.86,-13.02,;27.63,-14.35,;26.87,-15.68,;25.33,-15.68,;24.57,-17.02,;25.34,-18.35,;29.17,-14.35,;29.94,-15.69,;31.48,-15.69,;32.25,-14.36,;31.47,-13.02,;29.93,-13.02,;20.79,-18.82,;19.46,-18.06,;19.45,-16.52,;18.13,-18.83,;18.13,-20.37,;19.46,-21.15,;20.8,-20.37,)|

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,)|

Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1

Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(Br)ccc4OC(F)(F)F)cc3)c12

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O

Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O

Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F

Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1

Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3Cl)[nH]c2n1

Nc1nc2ccc(cc2[nH]1)-c1c(nc2sccn12)-c1cccc(NC(=O)c2ccccc2Cl)c1

Nc1nc2cnc(cn2n1)-c1ccccc1

Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl

Nc1nccc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)n1

Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F

Nc1nccn2c(nc(-c3ccc(O)c(OCc4ccccc4)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3ccc(O)cc3)c12)C1CCC1

Nc1nccn2c(nc(-c3ccc(OCc4ccccc4)cc3)c12)C1CCC1

Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC1

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)C1CCC1

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCC1 |wU:26.30,28.35,(-8.61,2.61,;-8.6,1.07,;-9.93,.3,;-9.93,-1.25,;-8.6,-2.02,;-7.26,-1.25,;-5.78,-1.72,;-4.87,-.47,;-5.79,.79,;-5.01,2.11,;-5.77,3.44,;-5,4.77,;-3.46,4.77,;-2.69,6.1,;-1.14,6.09,;-.37,4.76,;-1.15,3.42,;-2.69,3.43,;-3.47,2.1,;1.17,4.75,;1.94,3.41,;3.48,3.41,;4.25,4.75,;3.47,6.08,;1.94,6.08,;-7.26,.31,;-5.31,-3.19,;-6,-4.56,;-4.63,-5.26,;-3.93,-3.88,;-4.15,-6.72,;-4.85,-8.09,;-3.47,-8.79,;-2.78,-7.41,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCCC1 |wU:26.30,28.35,(6.76,3.51,;6.77,1.97,;5.45,1.2,;5.44,-.35,;6.78,-1.12,;8.11,-.35,;9.59,-.83,;10.5,.43,;9.59,1.69,;10.36,3.01,;9.6,4.34,;10.37,5.67,;11.92,5.67,;12.68,7,;14.23,6.99,;15.01,5.65,;14.23,4.32,;12.68,4.32,;11.91,3,;16.55,5.65,;17.32,4.31,;18.86,4.31,;19.63,5.64,;18.85,6.98,;17.31,6.98,;8.11,1.21,;10.07,-2.29,;9.37,-3.66,;10.75,-4.36,;11.44,-2.98,;11.22,-5.82,;10.33,-7.06,;11.23,-8.31,;12.7,-7.83,;12.7,-6.29,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCCCC1 |wU:26.30,28.35,(22.65,3.13,;22.66,1.59,;21.34,.82,;21.33,-.72,;22.66,-1.49,;24,-.72,;25.48,-1.2,;26.39,.05,;25.48,1.31,;26.25,2.63,;25.49,3.96,;26.26,5.29,;27.81,5.29,;28.57,6.63,;30.12,6.61,;30.9,5.28,;30.12,3.94,;28.57,3.95,;27.8,2.62,;32.44,5.27,;33.21,3.93,;34.75,3.93,;35.52,5.27,;34.74,6.61,;33.2,6.6,;24,.83,;25.96,-2.67,;25.26,-4.04,;26.64,-4.73,;27.33,-3.36,;27.11,-6.19,;26.22,-7.44,;26.85,-8.83,;28.38,-8.99,;29.27,-7.74,;28.64,-6.33,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCOCC1 |wU:26.30,28.35,(6.69,-13.61,;6.7,-15.15,;5.37,-15.92,;5.37,-17.47,;6.7,-18.24,;8.04,-17.47,;9.51,-17.95,;10.43,-16.69,;9.51,-15.44,;10.29,-14.11,;9.53,-12.78,;10.29,-11.45,;11.84,-11.45,;12.61,-10.12,;14.15,-10.13,;14.93,-11.47,;14.15,-12.8,;12.61,-12.8,;11.83,-14.12,;16.47,-11.47,;17.24,-12.81,;18.78,-12.81,;19.55,-11.48,;18.77,-10.14,;17.24,-10.14,;8.04,-15.92,;9.99,-19.41,;9.3,-20.78,;10.67,-21.48,;11.37,-20.11,;11.14,-22.94,;10.25,-24.19,;10.88,-25.58,;12.41,-25.73,;13.3,-24.48,;12.67,-23.08,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCSCC1 |wU:26.30,28.35,(-8.5,-13.48,;-8.49,-15.02,;-9.82,-15.79,;-9.82,-17.34,;-8.49,-18.11,;-7.15,-17.34,;-5.67,-17.82,;-4.76,-16.56,;-5.68,-15.31,;-4.9,-13.98,;-5.66,-12.65,;-4.89,-11.32,;-3.34,-11.32,;-2.58,-9.99,;-1.03,-10,;-.25,-11.34,;-1.03,-12.67,;-2.58,-12.67,;-3.36,-13.99,;1.28,-11.35,;2.05,-12.68,;3.59,-12.68,;4.36,-11.35,;3.59,-10.01,;2.05,-10.02,;-7.15,-15.79,;-5.2,-19.28,;-5.89,-20.65,;-4.52,-21.35,;-3.82,-19.98,;-4.04,-22.81,;-4.94,-24.06,;-4.31,-25.45,;-2.78,-25.6,;-1.88,-24.35,;-2.52,-22.95,)|

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,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCOCC2)C1 |wU:26.30,28.33,(-9.18,-42.53,;-9.17,-44.07,;-10.49,-44.84,;-10.5,-46.39,;-9.16,-47.16,;-7.83,-46.39,;-6.35,-46.87,;-5.44,-45.61,;-6.35,-44.35,;-5.57,-43.03,;-6.34,-41.7,;-5.57,-40.37,;-4.02,-40.37,;-3.26,-39.04,;-1.71,-39.05,;-.93,-40.39,;-1.71,-41.72,;-3.25,-41.72,;-4.03,-43.04,;.61,-40.39,;1.38,-41.73,;2.92,-41.73,;3.69,-40.4,;2.91,-39.06,;1.37,-39.06,;-7.83,-44.83,;-5.87,-48.33,;-6.57,-49.7,;-5.19,-50.4,;-4.72,-51.86,;-5.5,-53.2,;-7.02,-53.19,;-7.8,-54.52,;-7.03,-55.85,;-5.49,-55.86,;-4.73,-54.53,;-4.49,-49.03,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@H]1C[C@H](CN2CCC2)C1 |wU:26.30,wD:28.33,(20.91,-25.07,;20.92,-26.61,;19.6,-27.38,;19.59,-28.92,;20.93,-29.69,;22.26,-28.92,;23.74,-29.4,;24.65,-28.14,;23.74,-26.89,;24.51,-25.56,;23.75,-24.23,;24.52,-22.9,;26.07,-22.91,;26.83,-21.57,;28.38,-21.59,;29.16,-22.92,;28.38,-24.26,;26.83,-24.25,;26.06,-25.57,;30.7,-22.93,;31.47,-24.26,;33,-24.27,;33.78,-22.93,;33,-21.59,;31.46,-21.6,;22.26,-27.37,;24.22,-30.86,;25.59,-31.56,;24.9,-32.93,;25.37,-34.4,;24.34,-35.54,;22.81,-35.62,;22.89,-37.16,;24.43,-37.07,;23.52,-32.23,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@H]1C[C@H](CN2CCOCC2)C1 |wU:26.30,wD:28.33,(5.75,-42.52,;5.75,-44.06,;4.43,-44.83,;4.43,-46.37,;5.76,-47.14,;7.1,-46.37,;8.57,-46.85,;9.48,-45.59,;8.57,-44.34,;9.35,-43.01,;8.58,-41.68,;9.35,-40.35,;10.9,-40.36,;11.66,-39.02,;13.21,-39.04,;13.99,-40.37,;13.21,-41.71,;11.67,-41.7,;10.89,-43.02,;15.53,-40.38,;16.3,-41.71,;17.84,-41.71,;18.61,-40.38,;17.83,-39.04,;16.3,-39.05,;7.09,-44.82,;9.05,-48.31,;10.43,-49.01,;9.73,-50.38,;10.21,-51.85,;9.44,-53.18,;7.91,-53.17,;7.13,-54.5,;7.9,-55.83,;9.44,-55.84,;10.2,-54.51,;8.36,-49.68,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc2[nH]ccc2c1 |r,wU:27.31,wD:30.38,(5.89,-32.49,;5.89,-34.03,;4.56,-34.8,;4.56,-36.35,;5.89,-37.12,;7.24,-36.34,;8.71,-36.81,;9.61,-35.56,;8.69,-34.31,;9.46,-32.98,;8.69,-31.66,;9.46,-30.32,;11.01,-30.32,;11.77,-28.99,;13.3,-28.99,;14.08,-30.32,;13.31,-31.65,;11.77,-31.65,;11.01,-32.99,;11.78,-34.32,;15.61,-30.32,;16.38,-31.66,;17.92,-31.66,;18.7,-30.32,;17.92,-28.99,;16.38,-28.99,;7.23,-34.8,;9.19,-38.27,;10.7,-38.57,;11.18,-40.04,;10.15,-41.19,;8.64,-40.87,;8.16,-39.42,;10.63,-42.66,;9.85,-43.99,;12.17,-42.68,;12.96,-41.35,;12.2,-40.02,;12.98,-38.69,;14.53,-38.7,;15.56,-37.57,;16.96,-38.21,;16.79,-39.73,;15.29,-40.04,;14.5,-41.38,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccccn1 |r,wU:27.31,wD:30.38,(-8.63,-16.09,;-8.62,-17.63,;-9.95,-18.4,;-9.95,-19.94,;-8.62,-20.71,;-7.28,-19.93,;-5.81,-20.4,;-4.91,-19.15,;-5.82,-17.91,;-5.05,-16.58,;-5.82,-15.25,;-5.06,-13.92,;-3.51,-13.92,;-2.75,-12.59,;-1.22,-12.59,;-.44,-13.92,;-1.21,-15.25,;-2.74,-15.25,;-3.51,-16.58,;-2.74,-17.92,;1.09,-13.92,;1.86,-15.26,;3.4,-15.26,;4.17,-13.92,;3.39,-12.58,;1.85,-12.59,;-7.29,-18.39,;-5.32,-21.86,;-3.82,-22.16,;-3.34,-23.63,;-4.37,-24.78,;-5.87,-24.46,;-6.35,-23.01,;-3.89,-26.25,;-4.67,-27.57,;-2.35,-26.26,;-1.56,-24.94,;-.02,-24.96,;.76,-23.64,;.01,-22.29,;-1.54,-22.28,;-2.32,-23.61,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccn[nH]1 |r,wU:27.31,wD:30.38,(-8.21,2.51,;-8.21,.97,;-9.54,.19,;-9.54,-1.35,;-8.21,-2.12,;-6.87,-1.34,;-5.4,-1.81,;-4.5,-.56,;-5.41,.69,;-4.64,2.01,;-5.41,3.34,;-4.64,4.67,;-3.1,4.68,;-2.33,6,;-.8,6,;-.03,4.67,;-.8,3.34,;-2.33,3.34,;-3.1,2.01,;-2.33,.67,;1.5,4.67,;2.27,3.33,;3.81,3.33,;4.58,4.67,;3.8,6.01,;2.27,6,;-6.87,.2,;-4.91,-3.27,;-3.4,-3.57,;-2.93,-5.04,;-3.95,-6.19,;-5.46,-5.87,;-5.94,-4.41,;-3.47,-7.65,;-4.26,-8.98,;-1.93,-7.67,;-1.18,-9.01,;.37,-9.01,;.85,-10.47,;-.4,-11.38,;-1.65,-10.47,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncn1 |r,wU:27.31,wD:30.38,(5.26,-16.47,;5.26,-18.01,;3.93,-18.78,;3.93,-20.33,;5.27,-21.1,;6.61,-20.32,;8.08,-20.79,;8.98,-19.53,;8.06,-18.29,;8.83,-16.97,;8.07,-15.64,;8.83,-14.3,;10.38,-14.3,;11.14,-12.98,;12.67,-12.97,;13.45,-14.31,;12.68,-15.63,;11.14,-15.63,;10.38,-16.97,;11.15,-18.3,;14.98,-14.31,;15.75,-15.64,;17.29,-15.64,;18.06,-14.31,;17.28,-12.97,;15.74,-12.98,;6.6,-18.78,;8.56,-22.25,;10.07,-22.55,;10.55,-24.02,;9.52,-25.17,;8.01,-24.85,;7.54,-23.39,;10,-26.63,;9.22,-27.96,;11.54,-26.65,;12.33,-25.32,;13.87,-25.35,;14.65,-24.03,;13.89,-22.68,;12.35,-22.67,;11.57,-23.99,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccccc2[nH]1 |r,wU:27.31,wD:30.38,(-9.22,-32.11,;-9.21,-33.66,;-10.54,-34.43,;-10.55,-35.97,;-9.21,-36.74,;-7.87,-35.96,;-6.4,-36.43,;-5.5,-35.18,;-6.41,-33.93,;-5.64,-32.61,;-6.41,-31.28,;-5.64,-29.95,;-4.09,-29.94,;-3.33,-28.62,;-1.8,-28.61,;-1.03,-29.95,;-1.8,-31.28,;-3.33,-31.27,;-4.1,-32.61,;-3.33,-33.95,;.51,-29.95,;1.28,-31.28,;2.82,-31.28,;3.59,-29.95,;2.81,-28.61,;1.27,-28.62,;-7.88,-34.42,;-5.91,-37.9,;-4.4,-38.2,;-3.92,-39.67,;-4.95,-40.82,;-6.46,-40.5,;-6.94,-39.04,;-4.47,-42.28,;-5.26,-43.61,;-2.93,-42.3,;-2.15,-40.97,;-2.75,-39.55,;-1.6,-38.53,;-1.58,-37,;-.25,-36.25,;1.08,-37.03,;1.06,-38.56,;-.27,-39.31,;-.61,-40.82,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nccs1 |r,wU:27.31,wD:30.38,(5.48,2.11,;5.49,.57,;4.16,-.2,;4.16,-1.75,;5.49,-2.52,;6.83,-1.74,;8.3,-2.21,;9.2,-.95,;8.29,.29,;9.06,1.62,;8.29,2.94,;9.05,4.28,;10.6,4.28,;11.36,5.6,;12.89,5.61,;13.67,4.27,;12.9,2.95,;11.37,2.95,;10.6,1.61,;11.37,.28,;15.2,4.27,;15.97,2.94,;17.51,2.94,;18.28,4.27,;17.5,5.61,;15.96,5.6,;6.82,-.2,;8.79,-3.67,;10.29,-3.97,;10.77,-5.44,;9.74,-6.59,;8.24,-6.27,;7.76,-4.81,;10.22,-8.05,;9.44,-9.37,;11.76,-8.07,;12.52,-9.41,;12.05,-10.87,;13.3,-11.77,;14.54,-10.87,;14.07,-9.4,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nnc[nH]1 |r,wU:27.31,wD:30.38,(18.99,2.16,;19,.62,;17.67,-.15,;17.67,-1.69,;19,-2.46,;20.34,-1.68,;21.81,-2.15,;22.71,-.9,;21.8,.34,;22.57,1.67,;21.8,3,;22.56,4.33,;24.11,4.33,;24.87,5.66,;26.4,5.66,;27.18,4.33,;26.41,3,;24.88,3,;24.11,1.67,;24.88,.33,;28.71,4.33,;29.48,2.99,;31.02,2.99,;31.79,4.33,;31.01,5.66,;29.47,5.66,;20.33,-.14,;22.3,-3.61,;23.8,-3.91,;24.28,-5.38,;23.25,-6.53,;21.75,-6.21,;21.27,-4.76,;23.73,-7.99,;22.95,-9.32,;25.27,-8.01,;26.03,-9.35,;25.56,-10.81,;26.81,-11.72,;28.05,-10.81,;27.58,-9.35,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nncs1 |r,wU:27.31,wD:30.38,(36.37,-27.21,;36.37,-28.75,;35.04,-29.52,;35.04,-31.06,;36.38,-31.83,;37.72,-31.05,;39.19,-31.52,;40.09,-30.27,;39.17,-29.02,;39.94,-27.7,;39.17,-26.37,;39.94,-25.04,;41.49,-25.04,;42.25,-23.71,;43.78,-23.71,;44.55,-25.04,;43.78,-26.37,;42.25,-26.37,;41.48,-27.7,;42.25,-29.04,;46.09,-25.04,;46.85,-26.38,;48.39,-26.38,;49.16,-25.04,;48.39,-23.7,;46.85,-23.71,;37.71,-29.51,;39.67,-32.98,;41.18,-33.28,;41.66,-34.75,;40.63,-35.9,;39.12,-35.58,;38.64,-34.12,;41.11,-37.36,;40.32,-38.69,;42.65,-37.38,;43.4,-38.72,;44.94,-38.9,;45.24,-40.41,;43.9,-41.16,;42.77,-40.12,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:27.31,wD:30.38,(18.25,-15.15,;18.26,-16.69,;16.93,-17.46,;16.93,-19.01,;18.26,-19.78,;19.6,-19,;21.07,-19.47,;21.97,-18.21,;21.06,-16.97,;21.83,-15.64,;21.06,-14.32,;21.82,-12.98,;23.37,-12.98,;24.13,-11.66,;25.66,-11.65,;26.44,-12.99,;25.67,-14.31,;24.14,-14.31,;23.37,-15.65,;24.14,-16.98,;27.97,-12.99,;28.74,-14.32,;30.28,-14.32,;31.05,-12.99,;30.27,-11.65,;28.73,-11.66,;19.59,-17.45,;21.56,-20.93,;23.06,-21.23,;23.54,-22.7,;22.51,-23.84,;21.01,-23.53,;20.53,-22.07,;22.99,-25.31,;24.5,-25.63,;21.97,-26.45,)|

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@H](CO)CC1 |r,wU:27.31,wD:30.35,(3.1,-15.73,;3.11,-17.27,;1.78,-18.04,;1.78,-19.59,;3.11,-20.36,;4.45,-19.58,;5.92,-20.05,;6.82,-18.8,;5.91,-17.55,;6.68,-16.23,;5.91,-14.9,;6.67,-13.57,;8.22,-13.56,;8.98,-12.24,;10.51,-12.24,;11.29,-13.57,;10.52,-14.9,;8.99,-14.89,;8.22,-16.23,;8.99,-17.57,;12.82,-13.57,;13.59,-14.91,;15.13,-14.91,;15.9,-13.57,;15.12,-12.23,;13.58,-12.24,;4.44,-18.04,;6.41,-21.51,;7.91,-21.81,;8.39,-23.28,;7.36,-24.43,;7.84,-25.89,;9.35,-26.21,;5.86,-24.11,;5.38,-22.65,)|

Nc1nccn2c(nc(-c3ccc4cccnc4c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(O)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OC4CCCC4)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OC4CCCCC4)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OCC4CC4)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OCC4CCCCC4)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OCCN4CCCC4)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OCCO)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OCCn4ccnc4)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OCc4c(Cl)cccc4Cl)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OCc4c(F)cccc4Cl)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OCc4c(F)cccc4F)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OCc4cc(F)cc(F)c4)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OCc4cc(F)ccc4F)c3)c12)C1CCC1

Nc1nccn2c(nc(-c3cccc(OCc4ccc(Cl)cc4)c3)c12)C1CCC1