Compound Name

SMILES String

CNc1ccc(cc1)-c1nc2ccc(C)cc2s1

COc1ccc2nc(sc2c1)-c1ccc(N)cc1

CNc1ccc(cc1)-c1nc2ccc(CO)cc2s1

CN(C)c1ccc(cc1)-c1nc2ccc(CO)cc2s1

CNc1ccc(cc1)-c1nc2ccccc2s1

Nc1ccc(cc1I)-c1nc2ccccc2s1

CNc1ccc(cc1I)-c1nc2ccccc2s1

Nc1ccc(cc1I)-c1nc2ccc(O)cc2s1

CNc1ccc(cc1I)-c1nc2ccc(O)cc2s1

CC1=NC2(CCOc3ccc(cc23)-c2cc(Cl)cc(Cl)c2)N=C1N |c:24,t:1|

CC1=NC2(CCOc3ccc(cc23)-c2cncc(Cl)c2)N=C1N |c:23,t:1|

CC1=NC2(CCOc3ccc(cc23)-c2cc(F)cc(F)c2)N=C1N |c:24,t:1|

CC1=NC2(CCOc3ccc(cc23)-c2cc(C)cc(C)c2)N=C1N |c:24,t:1|

COc1ccc(OC)c(c1)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:23,t:19|

CC1=NC2(CCOc3ccc(cc23)-c2cccc(F)c2F)N=C1N |c:24,t:1|

CC1=NC2(CCOc3ccc(cc23)-c2cc(C)ccc2C)N=C1N |c:24,t:1|

COc1ccc(F)cc1-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|

COc1cccc(c1F)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|

CC1=NC2(CCOc3ccc(cc23)-c2cc(C)ccc2F)N=C1N |c:24,t:1|

COc1ccc(F)c(c1)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|

CC1=NC2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)N=C1N |c:26,t:1|

CC1=NC2(CCOc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)N=C1N |c:29,t:1|

CC#CCOc1ccc(nc1)C(=O)Nc1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:27,t:23|

CC#CCOc1cnc(cn1)C(=O)Nc1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:27,t:23|

CC1=NC2(CCOc3ccc(NC(=O)c4ccc(C)s4)cc23)N=C1N |c:25,t:1|

CC1=NC2(CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc23)N=C1N |c:27,t:1|

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)OC(F)F |c:4,t:1,(-2.89,3.64,;-2.12,2.3,;-2.6,.84,;-1.35,-.07,;-.1,.84,;-.58,2.3,;.19,3.64,;-2.6,-.97,;-4.1,-.65,;-5.13,-1.79,;-6.62,-1.4,;-4.66,-3.26,;-3.15,-3.58,;-2.12,-2.44,;-.58,-2.44,;-.1,-.97,;.67,-2.3,;2.21,-2.3,;2.98,-.97,;2.21,.36,;.67,.36,;4.52,-.97,;5.29,-2.3,;4.52,-3.64,;6.62,-3.07,)|

COC1CC[C@]2(Cc3ccc(Br)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:14.16,wD:5.5,c:21,t:17,(5.88,-3.04,;5.11,-1.7,;3.57,-1.7,;2.8,-3.04,;1.26,-3.04,;.49,-1.7,;-.41,-2.95,;-1.88,-2.47,;-3.21,-3.24,;-4.55,-2.47,;-4.55,-.93,;-5.88,-.16,;-3.21,-.16,;-1.88,-.93,;-.41,-.46,;-1.66,.45,;-1.18,1.91,;-1.95,3.24,;.36,1.91,;1.13,3.24,;.83,.45,;1.26,-.37,;2.8,-.37,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.86,-1.04,;7.1,.3,;5.56,.32,;4.8,1.65,;3.26,1.67,;2.49,.34,;1.59,-.92,;.12,-.45,;-1.22,-1.23,;-2.56,-.46,;-2.55,1.09,;-1.22,1.86,;.11,1.1,;1.57,1.58,;.66,2.82,;1.55,4.07,;1.05,5.53,;3.02,3.61,;4.26,4.53,;3.03,2.07,;-3.88,1.86,;-3.88,3.4,;-5.21,4.17,;-6.55,3.4,;-6.54,1.85,;-5.21,1.09,;-7.87,1.08,;-9.22,.32,;-10.56,-.44,;3.25,-1,;4.78,-1,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(ccn2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(9.21,-.37,;8.44,-1.7,;6.9,-1.7,;6.13,-.37,;4.59,-.37,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.17,.45,;-2.55,-.16,;-3.88,-.93,;-5.21,-.16,;-5.21,1.38,;-3.88,2.15,;-2.55,1.38,;-6.55,-.93,;-7.88,-1.7,;-9.21,-2.47,;4.59,-3.04,;6.13,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(cc(c2)C#N)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.69,;6.24,-2.69,;5.47,-1.36,;3.93,-1.36,;3.16,-2.69,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.15,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.15,;-4.55,-1.93,;-5.88,-1.15,;-5.88,.38,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;-7.21,-1.93,;-8.55,-2.69,;3.93,-4.03,;5.47,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(26.92,-.87,;26.16,.47,;24.62,.49,;23.85,1.82,;22.31,1.84,;21.54,.51,;20.64,-.74,;19.17,-.28,;17.83,-1.06,;16.5,-.28,;16.5,1.26,;17.83,2.03,;19.17,1.27,;20.63,1.75,;19.72,2.99,;20.6,4.25,;20.11,5.7,;22.08,3.78,;23.31,4.7,;22.09,2.24,;15.17,2.03,;15.17,3.57,;13.84,4.34,;13.84,5.88,;12.51,3.57,;12.51,2.02,;13.85,1.26,;11.18,1.25,;9.84,.49,;22.31,-.83,;23.84,-.83,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.21,-.59,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;2.59,-3.26,;4.13,-3.26,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(F)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.21,-.59,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;2.59,-3.26,;4.13,-3.26,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.55,-.37,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-7.21,2.15,;-5.88,-.16,;-4.55,-.93,;-7.21,-.93,;-8.55,-1.7,;3.93,-3.04,;5.47,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)(C)C)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,2.15,;-5.78,2.71,;-7.32,.04,;3.26,-3.04,;4.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1 |r,wD:5.5,2.1,c:20,t:16,(43.93,-2.27,;43.17,-.93,;41.63,-.91,;40.87,.42,;39.33,.44,;38.56,-.89,;37.66,-2.14,;36.19,-1.68,;34.85,-2.46,;33.52,-1.68,;33.52,-.14,;34.85,.63,;36.18,-.13,;37.65,.35,;36.73,1.59,;37.62,2.85,;37.13,4.3,;39.09,2.38,;40.33,3.3,;39.11,.84,;32.19,.63,;30.85,1.4,;29.51,2.17,;28.74,3.49,;27.97,2.16,;39.32,-2.23,;40.86,-2.23,)|

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Br)cn4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:31,t:27,(9.48,-3.04,;8.71,-1.7,;7.17,-1.7,;6.4,-.37,;4.86,-.37,;4.09,-1.7,;3.18,-2.95,;1.72,-2.47,;.38,-3.24,;-.95,-2.47,;-.95,-.93,;-2.44,-.54,;-3.53,-1.63,;-3.13,-3.11,;-5.01,-1.23,;-5.41,.26,;-6.9,.66,;-7.99,-.43,;-9.48,-.03,;-7.59,-1.92,;-6.1,-2.32,;.38,-.16,;1.72,-.93,;3.18,-.46,;1.94,.45,;2.41,1.91,;1.64,3.24,;3.95,1.91,;4.72,3.24,;4.43,.45,;4.86,-3.04,;6.4,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:34,t:30,(10.02,-3.04,;9.25,-1.7,;7.71,-1.7,;6.94,-.37,;5.4,-.37,;4.63,-1.7,;3.73,-2.95,;2.26,-2.47,;.93,-3.24,;-.41,-2.47,;-.41,-.93,;-1.89,-.54,;-2.98,-1.63,;-2.58,-3.11,;-4.47,-1.23,;-4.87,.26,;-6.36,.66,;-7.44,-.43,;-7.05,-1.92,;-5.56,-2.32,;-8.93,-.03,;-9.33,1.46,;-10.02,-1.12,;-7.84,1.06,;.93,-.16,;2.26,-.93,;3.73,-.46,;2.48,.45,;2.96,1.91,;2.19,3.24,;4.5,1.91,;5.27,3.24,;4.97,.45,;5.4,-3.04,;6.94,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4oc5cc(Cl)ccc5c4C)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:36,t:32,(10.51,-3.04,;9.74,-1.7,;8.2,-1.7,;7.43,-.37,;5.89,-.37,;5.12,-1.7,;4.22,-2.95,;2.75,-2.47,;1.42,-3.24,;.09,-2.47,;.09,-.93,;-1.4,-.54,;-2.49,-1.63,;-2.09,-3.11,;-3.98,-1.23,;-5.22,-2.13,;-6.47,-1.23,;-7.98,-1.55,;-9.01,-.4,;-10.51,-.72,;-8.53,1.06,;-7.02,1.38,;-5.99,.24,;-4.45,.24,;-3.68,1.57,;1.42,-.16,;2.75,-.93,;4.22,-.46,;2.97,.45,;3.45,1.91,;2.68,3.24,;4.99,1.91,;5.76,3.24,;5.46,.45,;5.89,-3.04,;7.43,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:32,t:28,(9.48,-2.76,;8.71,-1.43,;7.17,-1.43,;6.4,-.09,;4.86,-.09,;4.09,-1.43,;3.18,-2.67,;1.72,-2.2,;.38,-2.97,;-.95,-2.2,;-.95,-.66,;-2.44,-.26,;-3.53,-1.35,;-3.13,-2.83,;-5.01,-.95,;-5.41,.54,;-6.9,.94,;-7.99,-.15,;-9.48,.25,;-7.59,-1.64,;-6.1,-2.04,;-5.7,-3.52,;.38,.11,;1.72,-.66,;3.18,-.18,;1.94,.73,;2.41,2.19,;1.64,3.52,;3.95,2.19,;4.72,3.52,;4.43,.73,;4.86,-2.76,;6.4,-2.76,)|

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:31,t:27,(9.48,-3.04,;8.71,-1.7,;7.17,-1.7,;6.4,-.37,;4.86,-.37,;4.09,-1.7,;3.18,-2.95,;1.72,-2.47,;.38,-3.24,;-.95,-2.47,;-.95,-.93,;-2.44,-.54,;-3.53,-1.63,;-3.13,-3.11,;-5.01,-1.23,;-5.41,.26,;-6.9,.66,;-7.99,-.43,;-9.48,-.03,;-7.59,-1.92,;-6.1,-2.32,;.38,-.16,;1.72,-.93,;3.18,-.46,;1.94,.45,;2.41,1.91,;1.64,3.24,;3.95,1.91,;4.72,3.24,;4.43,.45,;4.86,-3.04,;6.4,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:25,t:21,(5.46,-10.89,;4.7,-9.55,;3.16,-9.54,;2.4,-8.2,;.86,-8.18,;.08,-9.52,;-.81,-10.77,;-2.28,-10.3,;-3.62,-11.08,;-4.96,-10.31,;-4.96,-8.77,;-6.29,-8,;-7.62,-8.76,;-8.95,-7.99,;-10.29,-8.76,;-8.95,-6.45,;-3.63,-7.99,;-2.29,-8.76,;-.83,-8.27,;-1.74,-7.04,;-.86,-5.78,;-1.35,-4.32,;.62,-6.24,;1.85,-5.32,;.63,-7.78,;.85,-10.85,;2.38,-10.86,)|

CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-6.95,2.86,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;3.26,-3.04,;4.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(OCCCF)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:25,t:21,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;3.93,-3.04,;5.47,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Cl)cc4C)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:32,t:28,(7.92,-.84,;6.83,.25,;5.34,-.15,;4.25,.94,;2.77,.54,;2.37,-.95,;2.21,-2.48,;.7,-2.8,;-.07,-4.13,;-1.61,-4.13,;-2.38,-2.8,;-3.92,-2.8,;-5.25,-2.03,;-6.59,-2.8,;-5.25,-.49,;-3.92,.28,;-3.92,1.82,;-5.25,2.59,;-5.25,4.13,;-6.59,1.82,;-6.59,.28,;-7.92,-.49,;-1.61,-1.46,;-.07,-1.46,;.96,-.32,;-.5,.16,;-.5,1.7,;-1.84,2.47,;.96,2.17,;1.73,3.51,;1.87,.93,;3.46,-2.04,;4.94,-1.64,)|

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(F)cn4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:31,t:27,(9.4,-3.04,;8.63,-1.7,;7.09,-1.7,;6.32,-.37,;4.78,-.37,;4.01,-1.7,;3.1,-2.95,;1.64,-2.47,;.31,-3.24,;-1.03,-2.47,;-1.03,-.93,;-2.36,-.16,;-3.45,-1.25,;-3.05,-2.74,;-4.94,-.86,;-5.34,.63,;-6.82,1.03,;-7.91,-.06,;-9.4,.34,;-7.51,-1.55,;-6.03,-1.94,;.31,-.16,;1.64,-.93,;3.1,-.46,;1.86,.45,;2.33,1.91,;1.56,3.24,;3.87,1.91,;4.64,3.24,;4.35,.45,;4.78,-3.04,;6.32,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccnc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(9.21,-.37,;8.44,-1.7,;6.9,-1.7,;6.13,-.37,;4.59,-.37,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.16,.45,;-2.55,-.16,;-2.55,1.38,;-3.88,2.15,;-5.21,1.38,;-5.21,-.16,;-3.88,-.93,;-6.55,-.93,;-7.88,-1.7,;-9.21,-2.47,;4.59,-3.04,;6.13,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(25.81,-10.6,;25.05,-9.26,;23.51,-9.24,;22.75,-7.91,;21.21,-7.89,;20.44,-9.22,;19.54,-10.47,;18.07,-10.01,;16.73,-10.79,;15.4,-10.01,;15.4,-8.47,;16.73,-7.7,;18.06,-8.46,;19.53,-7.98,;18.61,-6.74,;19.5,-5.48,;19,-4.03,;20.97,-5.95,;22.21,-5.03,;20.99,-7.49,;14.07,-7.7,;14.07,-6.16,;12.74,-5.39,;11.4,-6.16,;11.41,-7.71,;12.74,-8.47,;10.08,-8.48,;8.73,-9.24,;7.39,-10,;21.2,-10.56,;22.73,-10.56,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Br)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(44.87,-11.75,;44.11,-10.41,;42.57,-10.39,;41.81,-9.06,;40.27,-9.04,;39.5,-10.37,;38.6,-11.63,;37.13,-11.16,;35.79,-11.94,;34.46,-11.17,;34.46,-9.62,;35.79,-8.85,;37.12,-9.61,;38.59,-9.13,;37.67,-7.89,;38.56,-6.64,;38.07,-5.18,;40.04,-7.1,;41.27,-6.18,;40.05,-8.64,;33.13,-8.85,;33.13,-7.31,;31.8,-6.54,;30.47,-7.31,;30.47,-8.86,;29.14,-9.63,;31.8,-9.62,;40.26,-11.71,;41.8,-11.71,)|

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCOCC1 |c:4,t:1|

CC1=NC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1cccc(Cl)c1 |c:4,t:1|

CC1=NC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1ccc(F)c(Cl)c1 |c:4,t:1|

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1 |c:4,t:1|

CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(F)(F)CC1)-c1cncc(Cl)c1 |c:4,t:1|

CC1=NC2(N=C1N)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1CC21CCC(F)(F)CC1 |c:4,t:1|

CC#Cc1cncc(c1)-c1ccc2CC3(CCC(F)(F)CC3)C3(N=C(C)C(N)=N3)c2c1 |c:29,t:25|

COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(C)C(N)=N1 |c:24,t:20,(5.95,-2.33,;5.18,-1,;3.64,-1,;2.87,-2.33,;1.33,-2.33,;.56,-1,;1.33,.33,;2.87,.33,;.09,-2.46,;-1.45,-2.46,;-2.48,-3.61,;-3.99,-3.29,;-4.47,-1.82,;-5.95,-1.43,;-3.44,-.68,;-1.93,-1,;-.68,-.09,;-1.93,.81,;-1.45,2.28,;-2.22,3.61,;.09,2.28,;.86,3.61,;.56,.81,)|

COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cccc(Cl)c1 |c:23,t:19,(7.79,-2.33,;7.02,-1,;5.48,-1,;4.71,-2.33,;3.17,-2.33,;2.4,-1,;3.17,.33,;4.71,.33,;1.92,-2.46,;.38,-2.46,;-.65,-3.61,;-2.16,-3.29,;-2.63,-1.82,;-1.6,-.68,;-.1,-1,;1.15,-.09,;-.1,.81,;.38,2.28,;-.39,3.61,;1.92,2.28,;2.69,3.61,;2.4,.81,;-4.12,-1.43,;-4.52,.06,;-6.01,.46,;-7.1,-.63,;-6.7,-2.12,;-7.79,-3.2,;-5.21,-2.51,)|

COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |c:23,t:19,(7.79,-2.33,;7.02,-1,;5.48,-1,;4.71,-2.33,;3.17,-2.33,;2.4,-1,;3.17,.33,;4.71,.33,;1.92,-2.46,;.38,-2.46,;-.65,-3.61,;-2.16,-3.29,;-2.63,-1.82,;-1.6,-.68,;-.1,-1,;1.15,-.09,;-.1,.81,;.38,2.28,;-.39,3.61,;1.92,2.28,;2.69,3.61,;2.4,.81,;-4.12,-1.43,;-4.52,.06,;-6.01,.46,;-7.1,-.63,;-6.7,-2.12,;-7.79,-3.2,;-5.21,-2.51,)|

CC1=N[C@@]2(CC3(CCCOC3)Oc3ccc(cc23)-c2cccc(Cl)c2)N=C1N |r,c:29,t:1|

CC1=N[C@]2(CC3(CCCOC3)Oc3ccc(cc23)-c2cccc(Cl)c2)N=C1N |r,c:29,t:1|

CC1=N[C@@]2(CC3(CCCOC3)Oc3ccc(cc23)-c2ccc(F)c(Cl)c2)N=C1N |r,c:30,t:1|

CC1=N[C@]2(CC3(CCCOC3)Oc3ccc(cc23)-c2ccc(F)c(Cl)c2)N=C1N |r,c:30,t:1|

CC1=N[C@]2(C[C@H](Oc3ccc(Br)cc23)[C@@H]2CCCOC2)N=C1N |r,c:23,t:1|

CC1=N[C@@]2(C[C@H](Oc3ccc(Br)cc23)[C@H]2CCCOC2)N=C1N |r,c:23,t:1|

CC1=N[C@@]2(C[C@@H](Oc3ccc(Br)cc23)[C@@H]2CCCOC2)N=C1N |r,c:23,t:1|

CC1=N[C@@]2(C[C@@H](Oc3ccc(Br)cc23)[C@H]2CCCOC2)N=C1N |r,c:23,t:1|

CC1=N[C@]2(C[C@H](Oc3ccc(Br)cc23)[C@H]2CCCOC2)N=C1N |r,c:23,t:1|

CC1=N[C@@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N |r,c:30,t:1|

CC1=N[C@@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N |r,c:30,t:1|

CC1=N[C@@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N |r,c:30,t:1|

CC1=N[C@@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N |r,c:30,t:1|

CC1=N[C@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N |r,c:30,t:1|

CC1=N[C@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N |r,c:30,t:1|

CC1=N[C@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N |r,c:30,t:1|

CC1=N[C@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N |r,c:30,t:1|

CC1=NC2(CC(Oc3ccc(Br)cc23)C2CCOC(C)(C)C2)N=C1N |c:25,t:1|

CC1=NC2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)C2CCOC(C)(C)C2)N=C1N |c:32,t:1|

CC1=NC2(CCCc3ccc(Br)cc23)N=C1N |c:16,t:1|

CC1=NC2(CCCc3ccc(cc23)-c2cncc(Cl)c2)N=C1N |c:23,t:1|

CC#Cc1cncc(c1)-c1ccc2CCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC1 |c:4,t:1|

CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)-c1cncc(Cl)c1 |c:4,t:1|

CC#Cc1cncc(c1)-c1ccc2CC3(CCC3)C3(N=C(C)C(N)=N3)c2c1 |c:25,t:21|

CC#Cc1cncc(c1)-c1ccc2CC3(CCC3)[C@@]3(N=C(C)C(N)=N3)c2c1 |r,c:25,t:21|

CC#Cc1cncc(c1)-c1ccc2CC3(CCC3)[C@]3(N=C(C)C(N)=N3)c2c1 |r,c:25,t:21|

CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)C#CC1CC1 |c:4,t:1|

CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)C#CC(C)(C)C |c:4,t:1|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cnc(C)c(Cl)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cnc(C)c(Cl)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cnc2C)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-6.55,1.38,;-5.21,2.15,;-3.88,1.38,;-2.55,2.15,;3.26,-3.04,;4.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(C#CC)c2C)CC1 |r,wD:5.5,2.1,c:20,t:16,(9.21,-3.04,;8.44,-1.7,;6.9,-1.7,;6.13,-.37,;4.59,-.37,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.16,.45,;-2.55,-.16,;-2.55,1.38,;-3.88,2.15,;-5.21,1.38,;-5.21,-.16,;-6.55,-.93,;-7.88,-1.7,;-9.21,-2.47,;-3.88,-.93,;-3.88,-2.47,;4.59,-3.04,;6.13,-3.04,)|

CCC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC |r,wD:16.17,19.25,c:5,t:2,(-3.49,3.24,;-1.95,3.24,;-1.18,1.91,;-1.66,.45,;-.41,-.46,;.83,.45,;.36,1.91,;1.13,3.24,;-1.88,-.93,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-4.55,-2.47,;-3.21,-3.24,;-1.88,-2.47,;-.41,-2.95,;.49,-1.7,;1.26,-.37,;2.8,-.37,;3.57,-1.7,;2.8,-3.04,;1.26,-3.04,;5.11,-1.7,;5.88,-3.04,)|

CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1 |r,wD:15.16,18.24,c:5,t:2,(-2.16,3.02,;-.62,3.02,;.15,1.69,;-.33,.23,;.92,-.68,;2.16,.23,;1.69,1.69,;2.46,3.02,;-.55,-1.16,;-1.88,-.39,;-3.21,-1.16,;-3.21,-2.7,;-1.88,-3.47,;-.55,-2.7,;.92,-3.17,;1.82,-1.93,;2.59,-.59,;4.13,-.59,;4.9,-1.93,;4.13,-3.26,;2.59,-3.26,;6.44,-1.93,;7.21,-3.26,;-4.55,-.39,;-5.88,-1.16,;-7.21,-.39,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,)|

CCC1=N[C@@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1 |r,wD:15.16,18.24,4.3,c:5,t:2,(-1.8,3.35,;-.26,3.15,;.38,1.75,;-.23,.34,;.92,-.68,;2.25,.1,;1.91,1.61,;2.81,2.86,;-.55,-1.15,;-1.88,-.38,;-3.21,-1.15,;-3.21,-2.69,;-1.88,-3.47,;-.55,-2.69,;.92,-3.17,;1.82,-1.93,;2.59,-.59,;4.13,-.59,;4.9,-1.93,;4.13,-3.26,;2.59,-3.26,;6.44,-1.93,;7.21,-3.26,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,)|

CCC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1 |r,wU:4.3,wD:15.16,18.24,c:5,t:2,(-1.8,3.35,;-.26,3.15,;.38,1.75,;-.23,.34,;.92,-.68,;2.25,.1,;1.91,1.61,;2.81,2.86,;-.55,-1.15,;-1.88,-.38,;-3.21,-1.15,;-3.21,-2.69,;-1.88,-3.47,;-.55,-2.69,;.92,-3.17,;1.82,-1.93,;2.59,-.59,;4.13,-.59,;4.9,-1.93,;4.13,-3.26,;2.59,-3.26,;6.44,-1.93,;7.21,-3.26,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,)|

CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC |r,wD:15.16,18.24,c:5,t:2,(-2.16,1.48,;-.62,1.48,;.15,.15,;-.33,-1.31,;.92,-2.22,;2.16,-1.31,;1.69,.15,;2.46,1.48,;-.55,-2.7,;-1.88,-1.93,;-3.21,-2.7,;-3.21,-4.24,;-1.88,-5,;-.55,-4.24,;.92,-4.71,;1.82,-3.47,;2.59,-2.13,;4.13,-2.13,;4.9,-3.47,;4.13,-4.8,;2.59,-4.8,;6.44,-3.47,;7.21,-4.8,;-4.55,-1.93,;-5.88,-2.7,;-7.21,-1.93,;-7.21,-.39,;-5.88,.38,;-4.55,-.39,;-5.88,1.93,;-5.88,3.47,;-5.88,5,)|

CCC1=N[C@@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC |r,wD:15.16,18.24,4.3,c:5,t:2,(-1.8,1.81,;-.26,1.61,;.38,.21,;-.23,-1.2,;.92,-2.22,;2.25,-1.44,;1.91,.07,;2.81,1.32,;-.55,-2.69,;-1.88,-1.92,;-3.21,-2.69,;-3.21,-4.23,;-1.88,-5,;-.55,-4.23,;.92,-4.71,;1.82,-3.47,;2.59,-2.13,;4.13,-2.13,;4.9,-3.47,;4.13,-4.8,;2.59,-4.8,;6.44,-3.47,;7.21,-4.8,;-4.55,-1.93,;-5.88,-2.69,;-7.21,-1.93,;-7.21,-.38,;-5.88,.38,;-4.55,-.38,;-5.88,1.93,;-5.88,3.47,;-5.88,5,)|

CCC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC |r,wU:4.3,wD:15.16,18.24,c:5,t:2,(-1.8,1.81,;-.26,1.61,;.38,.21,;-.23,-1.2,;.92,-2.22,;2.25,-1.44,;1.91,.07,;2.81,1.32,;-.55,-2.69,;-1.88,-1.92,;-3.21,-2.69,;-3.21,-4.23,;-1.88,-5,;-.55,-4.23,;.92,-4.71,;1.82,-3.47,;2.59,-2.13,;4.13,-2.13,;4.9,-3.47,;4.13,-4.8,;2.59,-4.8,;6.44,-3.47,;7.21,-4.8,;-4.55,-1.93,;-5.88,-2.69,;-7.21,-1.93,;-7.21,-.38,;-5.88,.38,;-4.55,-.38,;-5.88,1.93,;-5.88,3.47,;-5.88,5,)|

CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#N |r,wD:15.16,18.24,c:5,t:2,(-2.16,2.25,;-.62,2.25,;.15,.92,;-.33,-.54,;.92,-1.45,;2.16,-.54,;1.69,.92,;2.46,2.25,;-.55,-1.93,;-1.88,-1.16,;-3.21,-1.93,;-3.21,-3.47,;-1.88,-4.23,;-.55,-3.47,;.92,-3.94,;1.82,-2.7,;2.59,-1.36,;4.13,-1.36,;4.9,-2.7,;4.13,-4.03,;2.59,-4.03,;6.44,-2.7,;7.21,-1.36,;-4.55,-1.16,;-5.88,-1.93,;-7.21,-1.16,;-7.21,.38,;-5.88,1.15,;-4.55,.38,;-5.88,2.69,;-5.88,4.23,)|

CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cccc(c1)C#N |r,wD:15.16,18.24,c:5,t:2,(-2.16,2.25,;-.62,2.25,;.15,.92,;-.33,-.54,;.92,-1.45,;2.16,-.54,;1.69,.92,;2.46,2.25,;-.55,-1.93,;-1.88,-1.16,;-3.21,-1.93,;-3.21,-3.47,;-1.88,-4.23,;-.55,-3.47,;.92,-3.94,;1.82,-2.7,;2.59,-1.36,;4.13,-1.36,;4.9,-2.7,;4.13,-4.03,;2.59,-4.03,;6.44,-2.7,;7.21,-4.03,;-4.55,-1.16,;-5.88,-1.93,;-7.21,-1.16,;-7.21,.38,;-5.88,1.15,;-4.55,.38,;-5.88,2.69,;-5.88,4.23,)|

CCC1=N[C@@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cccc(c1)C#N |r,wD:15.16,18.24,4.3,c:5,t:2,(-1.8,2.58,;-.26,2.38,;.38,.98,;-.23,-.43,;.92,-1.45,;2.25,-.67,;1.91,.84,;2.81,2.09,;-.55,-1.93,;-1.88,-1.15,;-3.21,-1.93,;-3.21,-3.47,;-1.88,-4.23,;-.55,-3.47,;.92,-3.94,;1.82,-2.69,;2.59,-1.36,;4.13,-1.36,;4.9,-2.69,;4.13,-4.03,;2.59,-4.03,;6.44,-2.69,;7.21,-4.03,;-4.55,-1.15,;-5.88,-1.92,;-7.21,-1.15,;-7.21,.38,;-5.88,1.15,;-4.55,.38,;-5.88,2.69,;-5.88,4.23,)|

CCC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cccc(c1)C#N |r,wU:4.3,wD:15.16,18.24,c:5,t:2,(-1.8,2.58,;-.26,2.38,;.38,.98,;-.23,-.43,;.92,-1.45,;2.25,-.67,;1.91,.84,;2.81,2.09,;-.55,-1.93,;-1.88,-1.15,;-3.21,-1.93,;-3.21,-3.47,;-1.88,-4.23,;-.55,-3.47,;.92,-3.94,;1.82,-2.69,;2.59,-1.36,;4.13,-1.36,;4.9,-2.69,;4.13,-4.03,;2.59,-4.03,;6.44,-2.69,;7.21,-4.03,;-4.55,-1.15,;-5.88,-1.92,;-7.21,-1.15,;-7.21,.38,;-5.88,1.15,;-4.55,.38,;-5.88,2.69,;-5.88,4.23,)|

CCC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:15.15,18.22,c:30,t:26,(8.12,-19.34,;9.45,-20.12,;10.79,-19.37,;12.13,-18.61,;13.46,-17.83,;13.46,-16.29,;14.79,-15.52,;16.12,-16.29,;16.12,-17.83,;14.79,-18.6,;17.45,-18.6,;17.45,-20.14,;18.78,-20.91,;20.12,-20.13,;21.59,-20.6,;22.49,-19.35,;23.26,-18.01,;24.8,-18.03,;25.56,-19.37,;24.79,-20.69,;23.25,-20.68,;27.1,-19.38,;27.86,-20.72,;21.58,-18.1,;20.66,-16.87,;21.55,-15.61,;21.06,-14.15,;23.03,-16.07,;24.26,-15.16,;23.04,-17.61,;20.11,-18.59,;18.78,-17.83,)|

CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1 |r,wU:21.23,wD:14.14,17.18,c:28,t:24,(-8.83,-2.47,;-7.5,-1.7,;-6.16,-.93,;-4.83,-.16,;-4.83,1.38,;-3.49,2.15,;-2.16,1.38,;-2.16,-.16,;-3.49,-.93,;-.83,-.93,;-.83,-2.47,;.51,-3.24,;1.84,-2.47,;3.3,-2.95,;4.21,-1.7,;4.98,-.37,;6.52,-.37,;7.29,-1.7,;8.83,-1.7,;6.52,-3.04,;4.98,-3.04,;3.3,-.46,;2.06,.45,;2.53,1.91,;1.76,3.24,;4.07,1.91,;4.84,3.24,;4.55,.45,;1.84,-.93,;.51,-.16,)|

COC1CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(C)cc(c2)C#N)CC1 |r,wD:5.5,c:20,t:16,(8.55,-.59,;7.78,-1.93,;6.24,-1.93,;5.47,-3.26,;3.93,-3.26,;3.16,-1.93,;2.25,-3.17,;.79,-2.69,;-.55,-3.47,;-1.88,-2.69,;-1.88,-1.15,;-.55,-.39,;.79,-1.15,;2.25,-.68,;1.35,.57,;2.25,1.81,;1.78,3.28,;3.72,1.34,;4.96,2.24,;3.72,-.2,;-3.21,-.38,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.38,;-4.55,-1.15,;-7.21,-1.15,;-8.55,-1.93,;3.93,-.59,;5.47,-.59,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.69,;5.57,-2.69,;4.8,-1.36,;3.26,-1.36,;2.49,-2.69,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.15,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.15,;-5.21,-1.93,;-6.55,-1.15,;-7.88,-1.93,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wU:13.21,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.69,;5.57,-2.69,;4.8,-1.36,;3.26,-1.36,;2.49,-2.69,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.15,;.12,-1.93,;1.59,-1.45,;.68,-.2,;1.59,1.04,;1.11,2.51,;3.05,.57,;4.3,1.47,;3.05,-.97,;-3.88,-1.15,;-5.21,-1.93,;-6.55,-1.15,;-7.88,-1.93,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-3.98,1.33,;-5.32,2.1,;-5.32,3.64,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-7.98,-.98,;-9.32,-1.75,;3.16,-3.08,;4.7,-3.08,)|

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CC1 |c:4,t:1|

CC1=NC2(N=C1N)c1cc(ccc1CC21CC1)-c1cc(Cl)cc(c1)C#N |c:4,t:1|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(6.55,-3.04,;5.78,-1.7,;4.24,-1.7,;3.47,-.37,;1.93,-.37,;1.16,-1.7,;.25,-2.95,;-1.21,-2.47,;-2.55,-3.24,;-3.88,-2.47,;-3.88,-.93,;-2.55,-.16,;-1.21,-.93,;.25,-.46,;-.99,.45,;-.52,1.91,;-1.29,3.24,;1.02,1.91,;1.79,3.24,;1.5,.45,;-5.21,-.16,;-6.55,.61,;1.93,-3.04,;3.47,-3.04,)|

COCc1cccc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:14.14,17.21,c:29,t:25,(-9.21,-.93,;-7.88,-.16,;-6.55,-.93,;-5.21,-.16,;-5.21,1.38,;-3.88,2.15,;-2.55,1.38,;-2.55,-.16,;-3.88,-.93,;-1.21,-.93,;-1.21,-2.47,;.12,-3.24,;1.45,-2.47,;2.92,-2.95,;3.82,-1.7,;4.59,-.37,;6.13,-.37,;6.9,-1.7,;6.13,-3.04,;4.59,-3.04,;8.44,-1.7,;9.21,-.37,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.17,.45,;1.45,-.93,;.12,-.16,)|

COCc1cc(F)cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:15.15,18.22,c:30,t:26,(-9.21,-1.15,;-7.88,-.38,;-6.55,-1.15,;-5.21,-.38,;-5.21,1.15,;-3.88,1.93,;-3.88,3.47,;-2.55,1.15,;-2.55,-.38,;-3.88,-1.15,;-1.21,-1.15,;-1.21,-2.69,;.12,-3.47,;1.45,-2.69,;2.92,-3.17,;3.82,-1.93,;4.59,-.59,;6.13,-.59,;6.9,-1.93,;6.13,-3.26,;4.59,-3.26,;8.44,-1.93,;9.21,-3.26,;2.92,-.68,;1.67,.23,;2.15,1.69,;1.38,3.02,;3.69,1.69,;4.46,3.02,;4.17,.23,;1.45,-1.15,;.12,-.38,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(COCC(F)(F)F)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(10.55,-3.04,;9.78,-1.7,;8.24,-1.7,;7.47,-.37,;5.93,-.37,;5.16,-1.7,;4.25,-2.95,;2.79,-2.47,;1.45,-3.24,;.12,-2.47,;.12,-.93,;1.45,-.16,;2.79,-.93,;4.25,-.46,;3.01,.45,;3.48,1.91,;2.71,3.24,;5.02,1.91,;5.79,3.24,;5.5,.45,;-1.21,-.16,;-1.21,1.38,;-2.55,2.15,;-3.88,1.38,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-9.21,-.16,;-10.55,-.93,;-9.21,1.38,;-10.55,.61,;-2.55,-.93,;5.93,-3.04,;7.47,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(C)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C(F)(F)F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-5.88,-.16,;-4.55,-.93,;-7.21,-.93,;-8.55,-.16,;-7.21,-2.47,;-8.55,-1.7,;3.93,-3.04,;5.47,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.69,;6.24,-2.69,;5.47,-1.36,;3.93,-1.36,;3.16,-2.69,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.15,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.15,;-3.21,.38,;-4.55,1.15,;-5.88,.38,;-5.88,-1.15,;-4.55,-1.93,;-7.21,-1.93,;-8.55,-1.15,;-7.21,-3.46,;-8.55,-2.69,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-3.21,.38,;-4.55,1.15,;-5.88,.38,;-5.88,-1.16,;-4.55,-1.93,;-7.21,-1.93,;-8.55,-1.16,;-7.21,-3.47,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)c(F)c(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-4.55,-1.93,;-5.88,-1.16,;-7.21,-1.93,;-8.55,-1.16,;-5.88,.38,;-7.21,1.15,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(F)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.26,;7.11,-1.93,;5.57,-1.93,;4.8,-.59,;3.26,-.59,;2.49,-1.93,;1.59,-3.17,;.12,-2.7,;-1.21,-3.46,;-2.55,-2.7,;-2.55,-1.16,;-1.21,-.39,;.12,-1.16,;1.59,-.68,;.34,.23,;.82,1.69,;.05,3.02,;2.36,1.69,;3.13,3.02,;2.83,.23,;-3.88,-.39,;-5.21,-1.16,;-6.55,-.39,;-7.88,-1.16,;-6.55,1.15,;-5.21,1.92,;-5.21,3.46,;-3.88,1.15,;3.26,-3.26,;4.8,-3.26,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(OC)c2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-4.55,-.93,;-4.55,-2.47,;3.93,-3.04,;5.47,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccccc2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.21,-3.04,;6.44,-1.7,;4.9,-1.7,;4.13,-.37,;2.59,-.37,;1.82,-1.7,;.92,-2.95,;-.55,-2.47,;-1.88,-3.24,;-3.21,-2.47,;-3.21,-.93,;-1.88,-.16,;-.55,-.93,;.92,-.46,;-.33,.45,;.15,1.91,;-.62,3.24,;1.69,1.91,;2.46,3.24,;2.16,.45,;-4.55,-.16,;-5.88,-.93,;-7.21,-.16,;-7.21,1.38,;-5.88,2.15,;-4.55,1.38,;2.59,-3.04,;4.13,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.92,;-7.88,-3.46,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wD:5.5,13.15,2.1,c:20,t:16,(8.55,-1.36,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-4.55,-1.93,;-5.88,-1.16,;-7.21,-1.92,;-8.55,-1.15,;-5.88,.38,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-1.36,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-4.55,-1.93,;-5.88,-1.16,;-7.21,-1.92,;-8.55,-1.15,;-5.88,.38,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Br)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.92,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)-c2cc(Br)cc(c2)C#N)CC1 |r,wU:13.21,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.24,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.44,-.42,;1.07,.99,;.3,2.32,;2.6,.83,;3.63,1.97,;2.92,-.68,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.93,;-6.55,.38,;-5.21,1.16,;-3.88,.38,;-5.21,2.7,;-5.21,4.24,;3.26,-4.03,;4.8,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Br)cc(c2)C#N)CC1 |r,wD:5.5,13.21,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.24,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.44,-.42,;1.07,.99,;.3,2.32,;2.6,.83,;3.63,1.97,;2.92,-.68,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.93,;-6.55,.38,;-5.21,1.16,;-3.88,.38,;-5.21,2.7,;-5.21,4.24,;3.26,-4.03,;4.8,-4.03,)|

CCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N |r,wD:13.13,16.20,c:28,t:24,(-8.55,-1.15,;-7.21,-1.92,;-5.88,-1.16,;-5.88,.38,;-4.55,1.15,;-3.21,.38,;-3.21,-1.16,;-4.55,-1.93,;-1.88,-1.93,;-1.88,-3.47,;-.55,-4.23,;.79,-3.47,;2.25,-3.94,;3.16,-2.7,;3.93,-1.36,;5.47,-1.36,;6.24,-2.7,;5.47,-4.03,;3.93,-4.03,;7.78,-2.7,;8.55,-1.36,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;.79,-1.93,;-.55,-1.16,;-4.55,2.69,;-4.55,4.23,)|

COCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N |r,wD:14.14,17.21,c:29,t:25,(-3.21,4.62,;-3.21,3.08,;-4.55,2.31,;-4.55,.77,;-5.88,,;-5.88,-1.54,;-4.55,-2.31,;-3.21,-1.54,;-3.21,,;-1.88,-2.31,;-1.88,-3.85,;-.55,-4.62,;.79,-3.85,;2.25,-4.33,;3.16,-3.08,;3.93,-1.75,;5.47,-1.75,;6.24,-3.08,;5.47,-4.41,;3.93,-4.41,;7.78,-3.08,;8.87,-1.99,;2.25,-1.83,;1.01,-.93,;1.48,.54,;.71,1.87,;3.02,.54,;3.79,1.87,;3.5,-.93,;.79,-2.31,;-.55,-1.54,;-7.21,-2.31,;-8.55,-3.08,)|

COCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)[C@@]3(N=C(C)C(N)=N3)c2c1)C#N |r,wU:22.30,wD:14.14,17.21,c:29,t:25,(-3.21,4.62,;-3.21,3.08,;-4.55,2.31,;-4.55,.77,;-5.88,,;-5.88,-1.54,;-4.55,-2.31,;-3.21,-1.54,;-3.21,,;-1.88,-2.31,;-1.88,-3.85,;-.55,-4.62,;.79,-3.85,;2.25,-4.33,;3.16,-3.08,;3.93,-1.75,;5.47,-1.75,;6.24,-3.08,;5.47,-4.41,;3.93,-4.41,;7.78,-3.08,;8.55,-1.75,;2.25,-1.83,;1.11,-.8,;1.73,.6,;.96,1.94,;3.27,.44,;4.3,1.59,;3.59,-1.06,;.79,-2.31,;-.55,-1.54,;-7.21,-2.31,;-8.55,-3.08,)|

COCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)[C@]3(N=C(C)C(N)=N3)c2c1)C#N |r,wD:14.14,22.30,17.21,c:29,t:25,(-3.21,4.62,;-3.21,3.08,;-4.55,2.31,;-4.55,.77,;-5.88,,;-5.88,-1.54,;-4.55,-2.31,;-3.21,-1.54,;-3.21,,;-1.88,-2.31,;-1.88,-3.85,;-.55,-4.62,;.79,-3.85,;2.25,-4.33,;3.16,-3.08,;3.93,-1.75,;5.47,-1.75,;6.24,-3.08,;5.47,-4.41,;3.93,-4.41,;7.78,-3.08,;8.55,-1.75,;2.25,-1.83,;1.11,-.8,;1.73,.6,;.96,1.94,;3.27,.44,;4.3,1.59,;3.59,-1.06,;.79,-2.31,;-.55,-1.54,;-7.21,-2.31,;-8.55,-3.08,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)ccc2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-5.88,1.38,;-4.55,2.15,;-3.21,1.38,;-1.88,2.15,;3.93,-3.04,;5.47,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)ccc2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-6.55,1.38,;-5.21,2.15,;-3.88,1.38,;-2.55,2.15,;3.26,-3.04,;4.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)c(F)c(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-4.03,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.92,;-6.55,.38,;-7.88,1.15,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(F)c2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.21,-3.26,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;-3.21,1.93,;2.59,-3.26,;4.13,-3.26,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(ccc2F)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-5.88,1.38,;-4.55,2.15,;-3.21,1.38,;-1.88,2.15,;-7.21,-.93,;-8.55,-1.7,;3.93,-3.04,;5.47,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccc(F)cc2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-5.21,-.93,;-5.21,-2.47,;3.26,-3.04,;4.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(Cl)c2Cl)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.21,-3.26,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;-3.21,1.93,;2.59,-3.26,;4.13,-3.26,)|

CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(F)cc(c1)C#N |r,wD:14.15,17.23,c:4,t:1,(-.06,3.59,;.71,2.25,;.24,.79,;1.48,-.12,;2.73,.79,;2.25,2.25,;3.02,3.59,;.02,-.59,;-1.32,.18,;-2.65,-.59,;-2.65,-2.13,;-1.32,-2.9,;.02,-2.13,;1.48,-2.61,;2.39,-1.36,;3.16,-.03,;4.7,-.03,;5.47,-1.36,;4.7,-2.69,;3.16,-2.69,;7.01,-1.36,;7.78,-2.69,;9.32,-2.69,;7.01,-4.03,;-3.98,.18,;-3.98,1.72,;-5.32,2.49,;-5.32,4.03,;-6.65,1.72,;-6.65,.18,;-5.32,-.59,;-7.98,-.59,;-9.32,-1.36,)|

COc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)C3(N=C(C)C(N)=N3)c2c1)C#N |r,wD:13.13,16.20,c:30,t:26,(-3.98,4.41,;-5.32,3.64,;-5.32,2.1,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-3.98,-.21,;-3.98,1.33,;-2.65,-.98,;-2.65,-2.52,;-1.32,-3.29,;.02,-2.52,;1.48,-2.99,;2.39,-1.75,;3.16,-.41,;4.7,-.41,;5.47,-1.75,;4.7,-3.08,;3.16,-3.08,;7.01,-1.75,;7.78,-3.08,;9.32,-3.08,;7.01,-4.41,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;.02,-.98,;-1.32,-.21,;-7.98,-.98,;-9.32,-1.75,)|

CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cncc(c1)C(F)(F)F |r,wD:14.15,17.23,c:4,t:1,(-.06,3.81,;.71,2.47,;.24,1.01,;1.48,.1,;2.73,1.01,;2.25,2.47,;3.02,3.81,;.02,-.37,;-1.32,.4,;-2.65,-.37,;-2.65,-1.91,;-1.32,-2.68,;.02,-1.91,;1.48,-2.39,;2.39,-1.14,;3.16,.19,;4.7,.19,;5.47,-1.14,;4.7,-2.47,;3.16,-2.47,;7.01,-1.14,;7.78,-2.47,;9.32,-2.47,;7.01,-3.81,;-3.98,.4,;-3.98,1.94,;-5.32,2.71,;-6.65,1.94,;-6.65,.4,;-5.32,-.37,;-7.98,-.37,;-9.32,.4,;-8.75,.96,;-7.98,-1.91,)|

CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(Cl)cc(c1)C#N |r,wD:14.15,17.23,c:4,t:1,(-.06,3.59,;.71,2.25,;.24,.79,;1.48,-.12,;2.73,.79,;2.25,2.25,;3.02,3.59,;.02,-.59,;-1.32,.18,;-2.65,-.59,;-2.65,-2.13,;-1.32,-2.9,;.02,-2.13,;1.48,-2.61,;2.39,-1.36,;3.16,-.03,;4.7,-.03,;5.47,-1.36,;4.7,-2.69,;3.16,-2.69,;7.01,-1.36,;7.78,-2.69,;9.32,-2.69,;7.01,-4.03,;-3.98,.18,;-3.98,1.72,;-5.32,2.49,;-5.32,4.03,;-6.65,1.72,;-6.65,.18,;-5.32,-.59,;-7.98,-.59,;-9.32,-1.36,)|

CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(F)cc(F)c1 |r,wD:14.15,17.23,c:4,t:1,(-.72,3.59,;.05,2.25,;-.43,.79,;.82,-.12,;2.06,.79,;1.59,2.25,;2.36,3.59,;-.65,-.59,;-1.98,.18,;-3.32,-.59,;-3.32,-2.13,;-1.98,-2.9,;-.65,-2.13,;.82,-2.61,;1.72,-1.36,;2.49,-.03,;4.03,-.03,;4.8,-1.36,;4.03,-2.69,;2.49,-2.69,;6.34,-1.36,;7.11,-2.69,;8.65,-2.69,;6.34,-4.03,;-4.65,.18,;-4.65,1.72,;-5.98,2.49,;-5.98,4.03,;-7.32,1.72,;-7.32,.18,;-8.65,-.59,;-5.98,-.59,)|

COc1cc(cc(C#N)c1F)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)C3(N=C(C)C(N)=N3)c2c1 |r,wD:16.16,19.23,c:33,t:29,(-9.32,-.59,;-7.98,-1.36,;-6.65,-.59,;-5.32,-1.36,;-3.98,-.59,;-3.98,.95,;-5.32,1.72,;-5.32,3.26,;-5.32,4.8,;-6.65,.95,;-7.98,1.72,;-2.65,-1.36,;-2.65,-2.9,;-1.32,-3.67,;.02,-2.9,;1.48,-3.38,;2.39,-2.13,;3.16,-.8,;4.7,-.8,;5.47,-2.13,;4.7,-3.47,;3.16,-3.47,;7.01,-2.13,;7.78,-3.47,;9.32,-3.46,;7.01,-4.8,;1.48,-.89,;.24,.02,;.71,1.48,;-.06,2.82,;2.25,1.48,;3.02,2.82,;2.73,.02,;.02,-1.36,;-1.32,-.59,)|

CO[C@]1(C)CC[C@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 |r,wU:2.2,wD:6.6,2.1,c:22,t:18,(5.67,.18,;5.27,-1.31,;3.78,-1.7,;4.87,-2.79,;3.01,-3.04,;1.47,-3.04,;.7,-1.7,;-.2,-2.95,;-1.67,-2.47,;-3,-3.24,;-4.33,-2.47,;-4.33,-.93,;-5.67,-.16,;-3,-.16,;-1.67,-.93,;-.2,-.46,;-1.45,.45,;-.97,1.91,;-1.74,3.24,;.57,1.91,;1.34,3.24,;1.04,.45,;1.47,-.37,;3.01,-.37,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CCC2)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.16,-3.04,;7.39,-1.7,;5.85,-1.7,;5.08,-.37,;3.54,-.37,;2.77,-1.7,;1.86,-2.95,;.4,-2.47,;-.94,-3.24,;-2.27,-2.47,;-2.27,-.93,;-.94,-.16,;.4,-.93,;1.86,-.46,;.62,.45,;1.09,1.91,;.32,3.24,;2.63,1.91,;3.4,3.24,;3.11,.45,;-3.6,-.16,;-4.94,.61,;-6.27,1.38,;-6.67,2.86,;-8.16,2.46,;-7.76,.98,;3.54,-3.04,;5.08,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)C)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,.61,;-6.95,2.86,;3.26,-3.04,;4.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-3.98,1.33,;-5.32,2.1,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-7.98,-.98,;-9.32,-1.75,;-10.65,-2.52,;3.16,-3.08,;4.7,-3.08,)|

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC2(CC1)OCCO2 |c:4,t:1|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cnc3[nH]cc(C)c3c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.4,-.37,;7.63,-1.7,;6.09,-1.7,;5.32,-.37,;3.78,-.37,;3.01,-1.7,;2.1,-2.95,;.64,-2.47,;-.69,-3.24,;-2.03,-2.47,;-2.03,-.93,;-.69,-.16,;.64,-.93,;2.1,-.46,;.86,.45,;1.33,1.91,;.56,3.24,;2.87,1.91,;3.64,3.24,;3.35,.45,;-3.36,-.16,;-3.36,1.38,;-4.7,2.15,;-6.03,1.38,;-7.49,1.85,;-8.4,.61,;-7.49,-.64,;-8.26,-1.97,;-6.03,-.16,;-4.7,-.93,;3.78,-3.04,;5.32,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:21,t:17,(5.88,-3.04,;5.11,-1.7,;3.57,-1.7,;2.8,-.37,;1.26,-.37,;.49,-1.7,;-.41,-2.95,;-1.88,-2.47,;-3.21,-3.24,;-4.55,-2.47,;-4.55,-.93,;-5.88,-.16,;-3.21,-.16,;-1.88,-.93,;-.41,-.46,;-1.66,.45,;-1.18,1.91,;-1.95,3.24,;.36,1.91,;1.13,3.24,;.83,.45,;1.26,-3.04,;2.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C(F)F)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-5.88,-.16,;-4.55,-.93,;-7.21,-.93,;-8.55,-.16,;-7.21,-2.47,;3.93,-3.04,;5.47,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccc3[nH]cc(C)c3c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.4,-.37,;7.63,-1.7,;6.09,-1.7,;5.32,-.37,;3.78,-.37,;3.01,-1.7,;2.1,-2.95,;.64,-2.47,;-.69,-3.24,;-2.03,-2.47,;-2.03,-.93,;-.69,-.16,;.64,-.93,;2.1,-.46,;.86,.45,;1.33,1.91,;.56,3.24,;2.87,1.91,;3.64,3.24,;3.35,.45,;-3.36,-.16,;-3.36,1.38,;-4.7,2.15,;-6.03,1.38,;-7.49,1.85,;-8.4,.61,;-7.49,-.64,;-8.26,-1.97,;-6.03,-.16,;-4.7,-.93,;3.78,-3.04,;5.32,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(C#CC)c2Cl)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.21,-2.13,;6.44,-3.47,;4.9,-3.47,;4.13,-2.13,;2.59,-2.13,;1.82,-3.47,;.92,-4.71,;-.55,-4.24,;-1.88,-5,;-3.21,-4.24,;-3.21,-2.7,;-1.88,-1.93,;-.55,-2.7,;.92,-2.22,;-.33,-1.31,;.15,.15,;-.62,1.48,;1.69,.15,;2.46,1.48,;2.16,-1.31,;-4.55,-1.93,;-5.88,-2.7,;-7.21,-1.93,;-7.21,-.39,;-5.88,.38,;-5.88,1.92,;-5.88,3.46,;-5.88,5,;-4.55,-.39,;-3.21,.39,;2.59,-4.8,;4.13,-4.8,)|

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)C(F)(F)F |c:4,t:1|

CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.49,-3.23,;6.72,-1.9,;5.18,-1.9,;4.41,-.57,;2.87,-.57,;2.1,-1.9,;1.2,-3.14,;-.27,-2.67,;-1.6,-3.44,;-2.94,-2.67,;-2.94,-1.13,;-4.27,-.36,;-4.27,1.18,;-5.6,1.95,;-6,3.44,;-7.49,3.04,;-7.09,1.55,;-1.6,-.36,;-.27,-1.13,;1.2,-.65,;-.05,.25,;.43,1.72,;-.34,3.05,;1.97,1.72,;2.74,3.05,;2.44,.25,;2.87,-3.23,;4.41,-3.23,)|

COCc1cc(cc(C#N)c1F)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:17.17,20.24,c:32,t:28,(-8.55,-4.23,;-7.21,-3.47,;-7.21,-1.93,;-5.88,-1.15,;-4.55,-1.93,;-3.21,-1.15,;-3.21,.38,;-4.55,1.21,;-4.55,2.75,;-4.55,4.29,;-5.88,.38,;-7.21,1.15,;-1.88,-1.93,;-1.88,-3.47,;-.55,-4.23,;.79,-3.47,;2.25,-3.94,;3.16,-2.69,;3.93,-1.36,;5.47,-1.36,;6.24,-2.69,;5.47,-4.03,;3.93,-4.03,;7.78,-2.69,;8.55,-4.03,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;.79,-1.93,;-.55,-1.15,)|

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)C(F)F |c:4,t:1,(-1.27,3.88,;-.5,2.54,;-1.4,1.3,;-.5,.05,;.97,.53,;.97,2.07,;2.3,2.84,;-1.96,-.42,;-3.29,.35,;-4.63,-.42,;-5.96,.35,;-4.63,-1.96,;-3.29,-2.73,;-1.96,-1.96,;-.5,-2.44,;.41,-1.19,;.81,-2.68,;2.3,-3.08,;3.38,-1.99,;2.99,-.5,;1.5,-.11,;4.87,-2.39,;5.27,-3.88,;5.96,-1.3,)|

CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(CC1)C(F)F)-c1cncc(Cl)c1 |c:4,t:1,(.07,3.72,;.84,2.38,;-.07,1.14,;.84,-.11,;2.3,.37,;2.3,1.91,;3.64,2.68,;-.63,-.58,;-1.96,.19,;-3.29,-.58,;-3.29,-2.12,;-1.96,-2.89,;-.63,-2.12,;.84,-2.6,;1.74,-1.35,;2.14,-2.84,;3.63,-3.24,;4.72,-2.15,;4.32,-.66,;2.83,-.26,;6.21,-2.55,;6.6,-4.04,;7.29,-1.46,;-4.63,.19,;-5.96,-.58,;-7.29,.19,;-7.29,1.73,;-5.96,2.5,;-5.96,4.04,;-4.63,1.73,)|

CCO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:6.6,3.2,c:22,t:18,(6.65,-3.04,;5.11,-3.04,;4.34,-1.7,;2.8,-1.7,;2.03,-.37,;.49,-.37,;-.28,-1.7,;-1.18,-2.95,;-2.65,-2.47,;-3.98,-3.24,;-5.32,-2.47,;-5.32,-.93,;-6.65,-.16,;-3.98,-.16,;-2.65,-.93,;-1.18,-.46,;-2.43,.45,;-1.95,1.91,;-2.72,3.24,;-.41,1.91,;.36,3.24,;.06,.45,;.49,-3.04,;2.03,-3.04,)|

CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C(F)(F)F)CC1 |r,wD:6.6,3.2,c:21,t:17,(7.98,-4.03,;6.44,-4.03,;5.67,-2.7,;4.13,-2.7,;3.36,-1.36,;1.82,-1.36,;1.05,-2.7,;.15,-3.94,;-1.32,-3.47,;-2.65,-4.24,;-3.98,-3.47,;-3.98,-1.93,;-2.65,-1.16,;-1.32,-1.93,;.15,-1.45,;-.76,-.2,;.15,1.04,;-.62,2.38,;1.61,.57,;2.95,1.34,;1.61,-.97,;-5.32,-1.16,;-6.65,-1.93,;-7.98,-1.16,;-7.98,.38,;-6.65,1.16,;-5.32,.38,;-6.65,2.7,;-7.98,3.47,;-5.32,3.47,;-6.65,4.24,;1.82,-4.03,;3.36,-4.03,)|

CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wD:6.6,3.2,c:21,t:17,(8.55,-3.26,;7.21,-4.03,;6.44,-2.7,;4.9,-2.7,;4.13,-1.36,;2.59,-1.36,;1.82,-2.7,;.92,-3.94,;-.55,-3.47,;-1.88,-4.24,;-3.21,-3.47,;-3.21,-1.93,;-1.88,-1.16,;-.55,-1.93,;.92,-1.45,;.01,-.2,;.92,1.04,;.15,2.38,;2.38,.57,;3.72,1.34,;2.38,-.97,;-4.55,-1.16,;-5.88,-1.93,;-7.21,-1.16,;-8.55,-1.93,;-7.21,.38,;-5.88,1.16,;-4.55,.38,;-5.88,2.7,;-5.88,4.24,;2.59,-4.03,;4.13,-4.03,)|

CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wD:6.6,3.2,c:21,t:17,(7.98,-3.26,;6.44,-3.26,;5.67,-1.93,;4.13,-1.93,;3.36,-.59,;1.82,-.59,;1.05,-1.93,;.15,-3.17,;-1.32,-2.7,;-2.65,-3.47,;-3.98,-2.7,;-3.98,-1.16,;-2.65,-.39,;-1.32,-1.16,;.15,-.68,;-.76,.57,;.15,1.81,;-.62,3.15,;1.61,1.34,;2.95,2.11,;1.61,-.2,;-5.32,-.39,;-6.65,-1.16,;-7.98,-.39,;-7.98,1.15,;-6.65,1.93,;-6.65,3.47,;-5.32,1.15,;1.82,-3.26,;3.36,-3.26,)|

CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1 |r,wD:6.6,3.2,c:21,t:17,(9.32,-3.64,;7.78,-3.64,;7.01,-2.31,;5.47,-2.31,;4.7,-.98,;3.16,-.98,;2.39,-2.31,;1.48,-3.56,;.02,-3.08,;-1.32,-3.85,;-2.65,-3.08,;-2.65,-1.54,;-1.32,-.77,;.02,-1.54,;1.48,-1.06,;.24,-.16,;.71,1.31,;-.06,2.64,;2.25,1.31,;3.02,2.64,;2.73,-.16,;-3.98,-.77,;-5.32,-1.54,;-6.65,-.77,;-6.65,.77,;-5.32,1.54,;-3.98,.77,;-5.32,3.08,;-6.65,3.85,;-3.98,3.85,;-7.98,-1.54,;-9.32,-2.31,;3.16,-3.64,;4.7,-3.64,)|

CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:6.6,3.2,c:21,t:17,(7.98,-4.8,;6.44,-4.8,;5.67,-3.47,;4.13,-3.47,;3.36,-2.13,;1.82,-2.13,;1.05,-3.47,;.15,-4.71,;-1.32,-4.24,;-2.65,-5.01,;-3.98,-4.24,;-3.98,-2.7,;-2.65,-1.93,;-1.32,-2.7,;.15,-2.22,;-.76,-.97,;.15,.27,;-.62,1.61,;1.61,-.2,;2.95,.57,;1.61,-1.74,;-5.32,-1.93,;-6.65,-2.7,;-7.98,-1.93,;-7.98,-.39,;-6.65,.39,;-5.32,-.39,;-6.65,1.93,;-6.65,3.47,;-6.65,5.01,;1.82,-4.8,;3.36,-4.8,)|

OCCN(CCO)C1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1 |r|

Fc1cccc(c1)C1CCC[C@@H](N1CS(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)NN1CCC(CC1)N1CCCC1 |r|

Cc1ccc(cc1F)S(=O)(=O)CN1C(CCC[C@@H]1C1(CC1)OC(=O)NN1CCC(CC1)N(CCO)CCO)c1cccc(F)c1 |r|

Fc1cccc(c1)C1CCC[C@@H](N1CS(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)NN1CCN(CC1)C1CCCCC1 |r|

Cc1ccc(cc1F)S(=O)(=O)CN1C(CCC[C@@H]1C1(CC1)OC(=O)NN1CCC(CC1)N1CCCC1)c1cccc(F)c1 |r|

OCCN(CCO)C1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1cccc(F)c1)c1cccc(F)c1 |r|

OCCN1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1 |r|

CCS(=O)(=O)NC[C@@H]1CCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OC[C@H]1[C@H](CNS(=O)(=O)C(F)(F)F)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

CC(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r|

OCC(O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OC[C@H]1C[C@@H](CC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)C1CC1 |r|

Fc1ccc(F)c2c1OC[C@H]1C[C@H](CC(=O)NCC(F)(F)F)CC[C@@]21S(=O)(=O)c1ccc(cc1)C(F)(F)F |r|

CCS(=O)(=O)CC[C@@H]1CCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OC[C@H]1C[C@@H](CC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F |r|

O[C@@]12COc3c(F)ccc(F)c3[C@@]1(CC[C@H](C2)NS(=O)(=O)C1CC1)S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OC[C@H]1[C@H](CNS(=O)(=O)C(F)(F)F)CCC[C@@]21S(=O)(=O)c1ccc(cc1)C(F)(F)F |r|

Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC(F)(F)F)c2)cc1OC(F)(F)F

COC(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

CC(C)(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

COC(=O)CC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

COC(=O)CCCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

CCOC(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

CC(C)(C)OC(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

OC(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

CCOC(=O)C(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

COC(=O)CCC(C(=O)\C=C\c1ccc(O[Na])c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O[Na])c(OC(F)(F)F)c1

COCOCCCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

CN(C)C(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

OCCOCCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

COC(=O)COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)cc1OC

COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OCC(O)=O)c(OC)c2)ccc1O

COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(c2)C(F)(F)F)ccc1O

CNc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(NC)c(c2)C(F)(F)F)cc1C(F)(F)F

COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cncc(c2)C(F)(F)F)ccc1O

COC(=O)CCC(C(=O)\C=C\c1ccc(O)c(c1)C(F)(F)F)C(=O)\C=C\c1ccc(O)c(c1)C(F)(F)F

Oc1ccc(\C=C\C(=O)C(CCC#N)C(=O)\C=C\c2ccc(O)c(OC(F)(F)F)c2)cc1OC(F)(F)F

CC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

COC(=O)CCC(C(=O)\C=C\c1ccco1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)C#CC2CCC2)CC1 |r,wD:5.5,2.1,13.15,c:20,t:16,(8.27,-3.04,;7.5,-1.7,;5.96,-1.7,;5.19,-.37,;3.65,-.37,;2.88,-1.7,;1.97,-2.95,;.51,-2.47,;-.83,-3.24,;-2.16,-2.47,;-2.16,-.93,;-.83,-.16,;.51,-.93,;1.97,-.46,;.72,.45,;1.2,1.91,;.43,3.24,;2.74,1.91,;3.51,3.24,;3.22,.45,;-3.49,-.16,;-4.83,.61,;-6.16,1.38,;-6.93,2.71,;-8.27,1.94,;-7.5,.61,;3.65,-3.04,;5.19,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)C#CC(C)C)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,.61,;-6.55,2.92,;3.26,-3.04,;4.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:20.22,wD:5.5,2.1,c:27,t:23,(7.21,-3.64,;6.44,-2.31,;4.9,-2.31,;4.13,-.98,;2.59,-.98,;1.82,-2.31,;.92,-3.56,;-.55,-3.08,;-1.88,-3.85,;-3.21,-3.08,;-3.21,-1.54,;-4.55,-.77,;-4.55,.77,;-5.88,1.54,;-5.88,3.08,;-7.21,3.85,;-4.55,3.85,;-7.21,2.31,;-1.88,-.77,;-.55,-1.54,;.92,-1.06,;-.33,-.16,;.15,1.31,;-.62,2.64,;1.69,1.31,;2.46,2.64,;2.16,-.16,;2.59,-3.64,;4.13,-3.64,)|

CC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N |r,wU:3.2,wD:14.15,17.20,c:4,t:1,(1.87,3.15,;2.64,1.81,;1.73,.57,;2.64,-.68,;4.1,-.2,;4.1,1.34,;5.44,2.11,;1.17,-1.15,;-.16,-.38,;-1.49,-1.15,;-1.49,-2.69,;-.16,-3.46,;1.17,-2.69,;2.64,-3.17,;3.54,-1.92,;4.31,-.59,;5.85,-.59,;6.62,-1.92,;8.16,-1.92,;5.85,-3.26,;4.31,-3.26,;-2.83,-.38,;-2.83,1.16,;-4.16,1.92,;-4.16,3.46,;-5.5,1.16,;-5.5,-.38,;-4.16,-1.15,;-6.83,-1.15,;-8.16,-1.92,)|

CC[C@@H](C)Oc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:10.9,13.16,2.3,c:24,t:20,(-7.88,-1,;-6.55,-.23,;-5.21,-1,;-5.21,-2.54,;-3.88,-.23,;-2.55,-1,;-2.55,-2.54,;-1.21,-3.31,;.12,-2.54,;1.59,-3.01,;2.49,-1.77,;3.26,-.43,;4.8,-.43,;5.57,-1.77,;4.8,-3.1,;3.26,-3.1,;7.11,-1.77,;7.88,-3.1,;1.59,-.52,;.68,.73,;1.59,1.97,;.82,3.31,;3.05,1.5,;4.38,2.27,;3.05,-.04,;.12,-1,;-1.21,-.23,)|

CC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1 |r,wD:15.16,18.21,c:4,t:1,(-.8,3.31,;-.03,1.97,;-.94,.73,;-.03,-.52,;1.43,-.04,;1.43,1.5,;2.77,2.27,;-1.49,-1,;-2.83,-.23,;-4.16,-1,;-5.5,-.23,;-4.16,-2.54,;-2.83,-3.31,;-1.49,-2.54,;-.03,-3.01,;.88,-1.77,;1.65,-.43,;3.19,-.43,;3.96,-1.77,;5.5,-1.77,;3.19,-3.1,;1.65,-3.1,)|

CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1 |r,wD:15.16,3.2,18.21,c:4,t:1,(-.8,3.31,;-.03,1.97,;-.94,.73,;-.03,-.52,;1.43,-.04,;1.43,1.5,;2.77,2.27,;-1.49,-1,;-2.83,-.23,;-4.16,-1,;-5.5,-.23,;-4.16,-2.54,;-2.83,-3.31,;-1.49,-2.54,;-.03,-3.01,;.88,-1.77,;1.65,-.43,;3.19,-.43,;3.96,-1.77,;5.5,-1.77,;3.19,-3.1,;1.65,-3.1,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)C#CC2CCC2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.27,-3.04,;7.5,-1.7,;5.96,-1.7,;5.19,-.37,;3.65,-.37,;2.88,-1.7,;1.97,-2.95,;.51,-2.47,;-.83,-3.24,;-2.16,-2.47,;-2.16,-.93,;-.83,-.16,;.51,-.93,;1.97,-.46,;.72,.45,;1.2,1.91,;.43,3.24,;2.74,1.91,;3.51,3.24,;3.22,.45,;-3.49,-.16,;-4.83,.61,;-6.16,1.38,;-6.93,2.71,;-8.27,1.94,;-7.5,.61,;3.65,-3.04,;5.19,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)C#CC(C)C)CC1 |r,wD:5.5,2.1,13.15,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,.61,;-6.55,2.92,;3.26,-3.04,;4.8,-3.04,)|

CC1=N[C@]2(N=C1N)c1cc(OCCCF)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F |r,wU:3.2,wD:19.20,22.28,c:4,t:1,(-.62,3.33,;.15,1.99,;-.76,.75,;.15,-.5,;1.61,-.02,;1.61,1.52,;2.95,2.29,;-1.32,-.98,;-2.65,-.21,;-3.98,-.98,;-5.32,-.21,;-5.32,1.33,;-6.65,2.1,;-6.65,3.64,;-7.98,4.41,;-3.98,-2.52,;-2.65,-3.29,;-1.32,-2.52,;.15,-2.99,;1.05,-1.75,;1.82,-.41,;3.36,-.41,;4.13,-1.75,;3.36,-3.08,;1.82,-3.08,;5.67,-1.75,;6.44,-3.08,;7.98,-3.08,;5.67,-4.41,)|

CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:25,t:21,(7.88,-3.1,;7.11,-1.77,;5.57,-1.77,;4.8,-.43,;3.26,-.43,;2.49,-1.77,;1.59,-3.01,;.12,-2.54,;-1.21,-3.31,;-2.55,-2.54,;-2.55,-1,;-3.88,-.23,;-5.21,-1,;-6.55,-.23,;-6.55,1.31,;-7.88,-1,;-1.21,-.23,;.12,-1,;1.59,-.52,;.68,.73,;1.59,1.97,;.82,3.31,;3.05,1.5,;4.38,2.27,;3.05,-.04,;3.26,-3.1,;4.8,-3.1,)|

CC1=N[C@@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N |r,wU:3.3,wD:14.15,17.20,c:4,t:1,(1.87,3.15,;2.64,1.81,;1.73,.57,;2.64,-.68,;4.1,-.2,;4.1,1.34,;5.44,2.11,;1.17,-1.15,;-.16,-.38,;-1.49,-1.15,;-1.49,-2.69,;-.16,-3.46,;1.17,-2.69,;2.64,-3.17,;3.54,-1.92,;4.31,-.59,;5.85,-.59,;6.62,-1.92,;8.16,-1.92,;5.85,-3.26,;4.31,-3.26,;-2.83,-.38,;-2.83,1.16,;-4.16,1.92,;-4.16,3.46,;-5.5,1.16,;-5.5,-.38,;-4.16,-1.15,;-6.83,-1.15,;-8.16,-1.92,)|

CO[C@H]1CC[C@@]2(Cc3cc(C)c(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)[N+]#[C-])CC1 |r,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-.39,;3.93,-3.26,;5.47,-3.26,)|

CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:21,t:17,(7.88,-4.03,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.24,;-2.55,-3.47,;-3.88,-4.24,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.93,;-6.55,.38,;-5.21,1.16,;-3.88,.38,;-5.21,2.7,;-5.21,4.24,;3.26,-4.03,;4.8,-4.03,)|

CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:5.5,14.16,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|

CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|

CO[C@H]1CC[C@@]2(Cc3cc(C)c(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:21,t:17,(7.21,-4.8,;6.44,-3.47,;4.9,-3.47,;4.13,-2.13,;2.59,-2.13,;1.82,-3.47,;.92,-4.71,;-.55,-4.24,;-1.88,-5.01,;-3.21,-4.24,;-4.55,-5.01,;-3.21,-2.7,;-1.88,-1.93,;-.55,-2.7,;.92,-2.22,;-.33,-1.31,;.15,.15,;-.62,1.48,;1.69,.15,;2.46,1.48,;2.16,-1.31,;-4.55,-1.93,;-5.88,-2.7,;-7.21,-1.93,;-7.21,-.39,;-5.88,.39,;-4.55,-.39,;-5.88,1.93,;-5.88,3.47,;-5.88,5.01,;2.59,-4.8,;4.13,-4.8,)|

COC1CCC2(Cc3cc(F)c(Br)cc3C22N=C(C)C(N)=N2)CC1 |c:22,t:18|

CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|

CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wD:5.5,2.1,c:21,t:17,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-3.88,-3.24,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|

CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(F)cc(c1)C#N |c:4,t:1|

CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(F)cc(F)c1 |c:4,t:1|

CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cncc(Cl)c1 |c:4,t:1|

CO[C@H]1CC[C@]2(CC1)CCc1ccc(Br)cc1C21N=C(C)C(N)=N1 |r,wD:5.8,2.1,c:25,t:21,(6,.4,;4.67,1.17,;3.33,.4,;2,1.17,;.67,.4,;.67,-1.14,;2,-1.91,;3.33,-1.14,;.67,-2.68,;-.67,-3.45,;-2,-2.68,;-3.33,-3.45,;-4.67,-2.68,;-4.67,-1.14,;-6,-.37,;-3.33,-.37,;-2,-1.14,;-.67,-.37,;-2.13,.1,;-2.13,1.64,;-3.47,2.41,;-.67,2.12,;.1,3.45,;.24,.87,)|

CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N |r,wD:5.8,2.1,c:24,t:20,(8.59,-3.86,;7.82,-2.52,;6.28,-2.52,;5.51,-1.19,;3.97,-1.19,;3.2,-2.52,;3.97,-3.86,;5.51,-3.86,;2.8,-4.01,;1.32,-4.41,;.23,-3.32,;-1.26,-3.72,;-2.35,-2.63,;-1.95,-1.14,;-.46,-.74,;.63,-1.83,;2.11,-1.43,;.87,-.53,;1.34,.94,;.57,2.27,;2.88,.94,;3.65,2.27,;3.36,-.53,;-3.04,-.05,;-2.64,1.43,;-3.73,2.52,;-3.33,4.01,;-1.84,4.41,;-5.22,2.12,;-5.62,.64,;-4.53,-.45,;-7.1,.24,;-8.59,-.16,)|

CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N |r,wU:2.1,wD:5.8,c:24,t:20,(8.59,-3.86,;7.82,-2.52,;6.28,-2.52,;5.51,-3.86,;3.97,-3.86,;3.2,-2.52,;3.97,-1.19,;5.51,-1.19,;2.8,-4.01,;1.32,-4.41,;.23,-3.32,;-1.26,-3.72,;-2.35,-2.63,;-1.95,-1.14,;-.46,-.74,;.63,-1.83,;2.11,-1.43,;.87,-.53,;1.34,.94,;.57,2.27,;2.88,.94,;3.65,2.27,;3.36,-.53,;-3.04,-.05,;-2.64,1.43,;-3.73,2.52,;-3.33,4.01,;-1.84,4.41,;-5.22,2.12,;-5.62,.64,;-4.53,-.45,;-7.1,.24,;-8.59,-.16,)|

CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |r,wD:5.8,2.1,c:24,t:20,(7.85,-2.91,;7.08,-1.58,;5.54,-1.58,;4.77,-.25,;3.23,-.25,;2.46,-1.58,;3.23,-2.91,;4.77,-2.91,;2.06,-3.07,;.57,-3.47,;-.52,-2.38,;-2,-2.78,;-3.09,-1.69,;-2.69,-.2,;-1.21,.2,;-.12,-.89,;1.37,-.49,;.12,.41,;.6,1.88,;-.17,3.21,;2.14,1.88,;2.91,3.21,;2.61,.41,;-3.78,.89,;-3.39,2.38,;-4.47,3.47,;-5.96,3.07,;-6.36,1.58,;-7.85,1.18,;-5.27,.49,)|

CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |r,wU:2.1,wD:5.8,c:24,t:20,(7.85,-2.91,;7.08,-1.58,;5.54,-1.58,;4.77,-2.91,;3.23,-2.91,;2.46,-1.58,;3.23,-.25,;4.77,-.25,;2.06,-3.07,;.57,-3.47,;-.52,-2.38,;-2,-2.78,;-3.09,-1.69,;-2.69,-.2,;-1.21,.2,;-.12,-.89,;1.37,-.49,;.12,.41,;.6,1.88,;-.17,3.21,;2.14,1.88,;2.91,3.21,;2.61,.41,;-3.78,.89,;-3.39,2.38,;-4.47,3.47,;-5.96,3.07,;-6.36,1.58,;-7.85,1.18,;-5.27,.49,)|

CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |r,wU:2.1,wD:5.8,c:24,t:20,(9.34,-2.91,;8.57,-1.58,;7.03,-1.58,;6.26,-2.91,;4.72,-2.91,;3.95,-1.58,;4.72,-.25,;6.26,-.25,;3.55,-3.07,;2.06,-3.47,;.97,-2.38,;-.52,-2.78,;-1.61,-1.69,;-1.21,-.2,;.28,.2,;1.37,-.89,;2.86,-.49,;1.61,.41,;2.09,1.88,;1.32,3.21,;3.63,1.88,;4.4,3.21,;4.1,.41,;-2.3,.89,;-1.9,2.38,;-2.99,3.47,;-4.47,3.07,;-4.87,1.58,;-3.78,.49,;-6.36,1.18,;-7.85,.78,;-9.34,.38,)|

CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |r,wD:5.8,2.1,c:24,t:20,(9.34,-2.91,;8.57,-1.58,;7.03,-1.58,;6.26,-.25,;4.72,-.25,;3.95,-1.58,;4.72,-2.91,;6.26,-2.91,;3.55,-3.07,;2.06,-3.47,;.97,-2.38,;-.52,-2.78,;-1.61,-1.69,;-1.21,-.2,;.28,.2,;1.37,-.89,;2.86,-.49,;1.61,.41,;2.09,1.88,;1.32,3.21,;3.63,1.88,;4.4,3.21,;4.1,.41,;-2.3,.89,;-1.9,2.38,;-2.99,3.47,;-4.47,3.07,;-4.87,1.58,;-3.78,.49,;-6.36,1.18,;-7.85,.78,;-9.34,.38,)|

CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(Cl)cc(c1)C#N |c:4,t:1|

COC1CCC2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |c:24,t:20|

CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wD:5.8,2.1,c:24,t:20,(8.59,-3.66,;7.82,-2.32,;6.28,-2.32,;5.51,-.99,;3.97,-.99,;3.2,-2.32,;3.97,-3.66,;5.51,-3.66,;2.8,-3.81,;1.32,-4.21,;.23,-3.12,;-1.26,-3.52,;-2.35,-2.43,;-1.95,-.94,;-.46,-.54,;.63,-1.63,;2.11,-1.23,;.87,-.33,;1.34,1.13,;.57,2.47,;2.88,1.13,;3.65,2.47,;3.36,-.33,;-3.04,.15,;-2.64,1.63,;-3.73,2.72,;-3.33,4.21,;-5.22,2.32,;-5.62,.84,;-4.53,-.25,;-7.1,.44,;-8.59,.04,)|

CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wU:2.1,wD:5.8,c:24,t:20,(8.59,-3.66,;7.82,-2.32,;6.28,-2.32,;5.51,-3.66,;3.97,-3.66,;3.2,-2.32,;3.97,-.99,;5.51,-.99,;2.8,-3.81,;1.32,-4.21,;.23,-3.12,;-1.26,-3.52,;-2.35,-2.43,;-1.95,-.94,;-.46,-.54,;.63,-1.63,;2.11,-1.23,;.87,-.33,;1.34,1.13,;.57,2.47,;2.88,1.13,;3.65,2.47,;3.36,-.33,;-3.04,.15,;-2.64,1.63,;-3.73,2.72,;-3.33,4.21,;-5.22,2.32,;-5.62,.84,;-4.53,-.25,;-7.1,.44,;-8.59,.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(OCC4(C)CC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-7.32,1.17,;-5.78,1.17,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;-.02,3.2,;2.36,1.91,;3.13,3.24,;2.83,.45,;3.26,-3.04,;4.8,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC(F)(F)C4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:29,t:25,(8.9,-3.04,;8.13,-1.7,;6.59,-1.7,;5.82,-.37,;4.28,-.37,;3.51,-1.7,;2.61,-2.95,;1.14,-2.47,;-.19,-3.24,;-1.53,-2.47,;-1.53,-.93,;-2.86,-.16,;-4.19,-.93,;-5.53,-.16,;-5.93,1.32,;-7.41,.92,;-8.9,.53,;-7.81,2.41,;-7.01,-.56,;-.19,-.16,;1.14,-.93,;2.61,-.46,;1.36,.45,;1.84,1.91,;1.07,3.24,;3.38,1.91,;4.15,3.24,;3.85,.45,;4.28,-3.04,;5.82,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:26,t:22,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.21,1.17,;-7.98,-.16,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:18.21,wD:5.5,2.1,c:26,t:22,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.21,1.17,;-7.98,-.16,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:28,t:24,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.98,-.16,;-7.21,1.17,;-7.98,2.5,;-6.44,2.5,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)|

CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:19.22,wD:5.5,2.1,c:27,t:23,(7.49,-3.23,;6.72,-1.9,;5.18,-1.9,;4.41,-.57,;2.87,-.57,;2.1,-1.9,;1.2,-3.14,;-.27,-2.67,;-1.6,-3.44,;-2.94,-2.67,;-2.94,-1.13,;-4.27,-.36,;-4.27,1.18,;-5.6,1.95,;-6,3.44,;-7.49,3.04,;-7.09,1.55,;-1.6,-.36,;-.27,-1.13,;1.2,-.65,;-.05,.25,;.43,1.72,;-.34,3.05,;1.97,1.72,;2.74,3.05,;2.44,.25,;2.87,-3.23,;4.41,-3.23,)|

CO[C@H]1CC[C@@]2(Cc3ccc(OCCC4CC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(8.65,-3.04,;7.88,-1.7,;6.34,-1.7,;5.57,-.37,;4.03,-.37,;3.26,-1.7,;2.36,-2.95,;.89,-2.47,;-.44,-3.24,;-1.78,-2.47,;-1.78,-.93,;-3.11,-.16,;-4.44,-.93,;-5.78,-.16,;-7.11,-.93,;-8.65,-.93,;-7.88,-2.27,;-.44,-.16,;.89,-.93,;2.36,-.46,;1.11,.45,;1.59,1.91,;.82,3.24,;3.13,1.91,;3.9,3.24,;3.6,.45,;4.03,-3.04,;5.57,-3.04,)|

COc1ccccc1NC(=O)C(=O)N\N=C(\CC(=O)c1cccs1)C(F)(F)F

CCOC(=O)c1c(NC(=O)C(=O)N\N=C\c2cccc(OC)c2O)sc2CC(C)CCc12

CCOC(=O)c1c(NC(=O)C(=O)N\N=C\c2c(O)ccc3ccccc23)sc2CC(C)CCc12

CCOC(=O)c1c(NC(=O)C(=O)N\N=C\c2ccccc2O)sc2CC(C)CCc12

COc1ccccc1NC(=O)C(=O)N1N=C(CC(C)C)CC1(O)C(F)(F)F |t:15|

Oc1ccccc1C(=O)N\N=C\c1ccc2ccccc2c1O

FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc2C[C@@H]3CC[C@H](Cc2c1)[C@@H]3NS(=O)(=O)c1ccc(Cl)s1 |r|

FC(F)(F)c1ccc(CC(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)cc1 |r|

FC(F)(F)c1ccc(c(CCC(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)c1)C(F)(F)F |r,TLB:16:17:26:20.21,THB:25:24:26:20.21|

Fc1ccc(OCCC(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)cc1 |r|

Fc1ccc(\C=C\C(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)cc1 |r|

FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)cc1 |r|

CN1c2ccccc2C(=N[C@H](NCC(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)C1=O)c1ccccc1 |r,c:9|

CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:20|

Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F)C#N |r,t:21|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|

CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F |r,c:5|

COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|

COCC[C@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|

COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:5|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F |r,t:2|

COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(C)c1 |r,t:19|

COCC#Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)c1 |r,t:22|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)nc2N)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C#CCO)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(F)cc2N)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2N)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncccc2Cl)ccc1F |r,t:2|

COCC#Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:22|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)F)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCl)nc2N)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)cc2Cl)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCF)nc2N)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)cc2Cl)ccc1F |r,t:2|

CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:20|

COCCc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:21|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nccnc2N)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#CCO)ccc1F |r,t:2|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C(F)F)ccc1F |r,t:2|

CC(F)(F)c1nc(N)c(nc1Cl)C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:26|

C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|

CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:21|

CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:21|

Oc1ccc2nc3ccc(=O)cc3oc2c1

O=c1ccc2nc3ccc(OC#C)cc3oc2c1

FCCOc1ccc2nc3ccc(=O)cc3oc2c1

FCCn1cc(COc2ccc3nc4ccc(=O)cc4oc3c2)nn1

COc1cccc(COc2ccc3nc4ccc(=O)cc4oc3c2)c1

BrCCOc1ccc2nc3ccc(=O)cc3oc2c1

Ic1ccc(COc2ccc3nc4ccc(=O)cc4oc3c2)cc1

COc1ccc2nc3ccc(=O)cc3oc2c1

CCOc1ccc2nc3ccc(=O)cc3oc2c1

COc1ccc(COc2ccc3nc4ccc(=O)cc4oc3c2)cc1

CC(=O)OCCOc1ccc2nc3ccc(=O)cc3oc2c1

COCCOc1ccc2nc3ccc(=O)cc3oc2c1

COCCOCCOc1ccc2nc3ccc(=O)cc3oc2c1

COc1ccc(OCCOc2ccc3nc4ccc(=O)cc4oc3c2)cc1

COc1ccc(OCCOCCOc2ccc3nc4ccc(=O)cc4oc3c2)cc1

Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)CCn3cccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)Cc3ccccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)Cc3cccnc3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)Cc3ncon3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

Cc1nc(CS(=O)(=O)CC[C@@H]2OCC[C@@]3(C2COc2c(F)ccc(F)c32)S(=O)(=O)c2ccc(Cl)cc2)no1 |r|

Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ccc(=O)[nH]c3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3cccnn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3cnccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ccnnc3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ncccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ccncn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3cncnc3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

COc1ccc(cn1)S(=O)(=O)CC[C@@H]1OCC[C@@]2(C1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r|

Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ccc[nH]c3=O)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|

Nc1ncccc1S(=O)(=O)CC[C@@H]1OCC[C@@]2(C1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r|

O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1cc(O)c(O)c(O)c1

c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O

O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1 |r|

O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccccc1 |r|

c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O

c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O

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

c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O

CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2nnc(C)o2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2ccnc(OC)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2cc(Cl)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2cc(OC)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2cnnc(Cl)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2nnc(C)o2)nc2N(CC(C)(C)c12)c1ccc(F)c(F)c1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)c(F)c1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9|

Cc1cc(ncn1)N1CC2CCC(C1)C2Nc1nc2N(CCc2c(Cl)n1)c1ccc(F)cc1 |TLB:15:14:10.11:8.13.7,THB:3:7:14:10.11|

CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)c1ccc(F)c(F)c1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2ccnnc2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:12.11.13:8.9,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2cnnc(C)c2)nc2N(CC(C)(C)c12)C1CC(F)(F)C1 |TLB:14:12:6:8.9,5:6:12.11.13:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2nnc(C)o2)nc2N(CC(C)(C)c12)C1CC(F)(F)C1 |TLB:5:6:12.11.13:8.9,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)cc1F |TLB:5:6:12.11.13:8.9,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2nnc(C)o2)nc2N(CC(C)(C)c12)c1ccc(F)cc1F |TLB:14:12:6:8.9,5:6:12.11.13:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)C12CC(C1)(C2)C(F)(F)F |TLB:14:12:6:8.9,5:6:12.11.13:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)C12CC(C1)(C2)C(F)(F)F |TLB:14:12:6:8.9,5:6:12.11.13:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1F |TLB:14:12:6:8.9,5:6:12.11.13:8.9|

Cc1cc(ncn1)N1CC2CCC(C1)C2Nc1nc2N(CC(C)(C)c2c(NCCO)n1)c1ccc(F)cc1 |TLB:15:14:7.13.8:10.11,THB:3:7:14:10.11|

COc1cc(cnn1)N1CC2CCC(C1)C2Nc1nc2N(CC(C)(C)c2c(NCCO)n1)c1ccc(F)cc1 |TLB:16:15:8.14.9:11.12,THB:4:8:15:11.12|

CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CCC(C)(C)c12)c1ccc(F)cc1 |TLB:14:12:6:8.9,5:6:12.11.13:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CCC(C)(C)c12)c1ccc(F)cc1 |TLB:14:12:6:8.9,5:6:12.11.13:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)c1cccc(F)c1F |TLB:5:6:12.11.13:8.9,14:12:6:8.9|

C[C@@H]1CN(c2nc(NC3C4CCC3CN(C4)c3cc(C)ncn3)nc(Cl)c12)c1ccc(F)cc1 |r,TLB:16:14:8:10.11,7:8:14.13.15:10.11|

C[C@H]1CN(c2nc(NC3C4CCC3CN(C4)c3cc(C)ncn3)nc(Cl)c12)c1ccc(F)cc1 |r,TLB:16:14:8:10.11,7:8:14.13.15:10.11|

CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)c1cccc(F)c1F |TLB:5:6:12.13.11:8.9,14:12:6:8.9|

CNc1nc(NC2C3CCC2CN(C3)c2ccnc(OC)c2)nc2N(CC(C)(C)c12)c1cccc(F)c1F |TLB:5:6:12.13.11:8.9,14:12:6:8.9|

CN1C(N)=NC(C1=O)(c1ccccc1)c1cc(F)cc(F)c1 |c:3|

NC1=NC(C(=O)N1)(c1ccc(OC(F)F)cc1)c1cc(F)cc(F)c1 |t:1|

CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(F)cc(F)c1 |c:3|

CN1C(N)=NC(C1=O)(c1cccc(OC(F)F)c1)c1cc(F)cc(F)c1 |c:3|

CN1C(N)=NC(C1=O)(c1cc(C)cc(C)c1)c1cc(F)cc(F)c1 |c:3|

CN1C(N)=NC(C1=O)(c1cccc(F)c1)c1ccc(OC(F)F)c(C)c1 |c:3|

C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|

OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccc(O)c(O)c1 |r|

OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)cc1 |r|

OC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1

OC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1

OC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)cc1 |r|

OC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccccc1 |r|

OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccc(O)cc1 |r|

OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccccc1 |r|

OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1 |r|

OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1 |r|

COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1 |r|

COC(=O)[C@H](Cc1ccc(OC)c(OC)c1)NC(=O)\C=C\c1ccc(OC)c(OC)c1 |r|

OC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccc(O)c(O)c1 |r|

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O

Nc1ccc(cc1)-c1cc2ccccc2s1

Oc1ccc(cc1)-c1cc2ccccc2s1

OCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1

O=C(CCc1ccccc1)OCCc1ccccc1

COc1ccc(CCOC(=O)CCc2ccccc2)cc1OC

CCCCCCC(=O)\C=C\c1ccc(O)c(O)c1

CCCCCOC(=O)\C=C\c1ccc(O)c(O)c1

Oc1ccc(CCOC(=O)CCc2ccc(O)c(O)c2)cc1O

COc1ccc(CCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1OC

c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O

CCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1

CCCCOC(=O)\C=C\c1ccc(O)c(O)c1

CCCOC(=O)\C=C\c1ccc(O)c(O)c1

Oc1ccc(\C=C\C(=O)OCC=C)cc1O

c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O

Oc1ccc(CCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O

Oc1ccc(CCOC(=O)\C=C\c2ccccc2)cc1O

O=C(OCCc1ccccc1)\C=C\c1ccccc1

NC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1

Oc1ccc(CCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1O

OCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1

CCCCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1

CCCCCNC(=O)\C=C\c1ccc(O)c(O)c1

Oc1ccc(CCOC(=O)CCc2ccccc2)cc1O

COC(=O)\C=C\c1ccc(O)c(O)c1

c1cc(c(cc1\C=C\C(=O)O)O)O

CCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1

Oc1ccc(\C=C\C(=O)c2cccnc2)cc1O

COc1cc(ccc1O)\C=C\C(=O)O

OC(=O)\C=C\c1cccc(O)c1

c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCNc4c5ccccc5nc6c4CCCC6

Oc1ccc(\C=C\C(=S)OCC=C)cc1O

COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O

Cc1cc(N2CCN(CC2)c2nc(Nc3ccc(F)cc3)nc(Nc3cccc(c3)C(F)(F)F)n2)n2ncnc2n1

COc1ccc(Nc2nc(Cl)nc(n2)N2CCN(CC2)c2cc(C)nc3ncnn23)cc1

Cc1cc(N2CCN(CC2)c2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)n2ncnc2n1

COc1ccc(Nc2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)cc1

Cc1cc(N2CCN(CC2)c2nc(Cl)nc(Nc3ccc(F)cc3)n2)n2ncnc2n1

Cc1ccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(n2)N2CCN(CC2)c2cc(C)nc3ncnn23)cc1

FC(F)(F)c1cccc(Nc2nc(NC3CC3)nc(n2)N2CCNCC2)c1

Fc1ccc(Nc2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)c(F)c1

Cc1ccc(Nc2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)cc1

Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)n2)cc1

Cc1cc(N2CCN(CC2)c2nc(Cl)nc(Nc3ccccc3F)n2)n2ncnc2n1

Fc1ccc(Nc2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)cc1

COc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)n2)cc1

Cc1cc(N2CCN(CC2)c2nc(Nc3cccc(c3)C(F)(F)F)nc(Nc3ccc(F)c(Cl)c3)n2)n2ncnc2n1

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@H](CC[C@H](C)C(=O)NCc1cn(Cc3cscn3)nn1)O2)OCc1ccccc1 |r|

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@H](CC[C@H](C)C(=O)NCc1cn(Cc3ccc(OC)cc3)nn1)O2)OCc1ccccc1 |r|

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2 |r|

COc1cc(\C=C\C(=O)Oc2cc(O)c3C(=O)[C@H](O)[C@H](Oc3c2)c2ccc3O[C@H](CO)[C@H](Oc3c2)c2ccc(O)c(OC)c2)ccc1O |r|

COc1cc(\C=C\C(=O)Oc2cc(O)c3C(=O)[C@H](O)[C@H](Oc3c2)c2ccc3O[C@@H](CO)[C@@H](Oc3c2)c2ccc(O)c(OC)c2)ccc1O |r|

CN1CCN(Cc2ccccc2Nc2cc(cc(c2)C(=O)NCCN2CCCCC2)C(=O)NCCN2CCCCC2)CC1

C(CN1CCCCC1)NCc1cc(CNCCN2CCCCC2)cc(Nc2ccccc2CN2CCCCC2)c1

O=C(NCCN1CCCCC1)c1cc(cc(c1)-c1ccccc1CN1CCCCC1)C(=O)NCCN1CCCCC1

CCN(CC)Cc1cccc(Nc2ccnc3cc(Cl)ccc23)c1

CN(C)Cc1ccccc1Nc1cc(cc(c1)C(=O)NCCN1CCCCC1)C(=O)NCCN1CCCCC1

Clc1ccc2c(Nc3cc(CN4CCOCC4)cc(NCCN4CCCCC4)c3)ccnc2c1

CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl

CCN(CC)Cc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1

CCN(CC)Cc1cc(NCCN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1

CN(C)CCN(C)Cc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1

O=C(NCCN1CCCCC1)c1cc(Nc2ccccc2CN2CCCCC2)cc(c1)C(=O)NCCN1CCCCC1

O=C(NCCN1CCCCC1)c1cc(Nc2ccccc2CN2CCOCC2)cc(c1)C(=O)NCCN1CCCCC1

C(CN1CCCCC1)NCc1cc(CNCCN2CCCCC2)cc(Nc2ccccc2CN2CCOCC2)c1

CN(C)Cc1ccccc1Nc1cc(CNCCN2CCCCC2)cc(CNCCN2CCCCC2)c1

O=C(NCCN1CCCCC1)c1cc(cc(c1)-c1ccccc1CN1CCOCC1)C(=O)NCCN1CCCCC1

CN(C)Cc1ccccc1-c1cc(cc(c1)C(=O)NCCN1CCCCC1)C(=O)NCCN1CCCCC1

C(CN1CCCCC1)NCc1cc(CNCCN2CCCCC2)cc(c1)-c1ccccc1CN1CCCCC1

CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl

CN(C)CCNCc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1

CN1CCN(CC1)c1cc(Nc2ccnc3cc(Cl)ccc23)cc(c1)N1CCN(C)CC1

CN1CCN(Cc2ccccc2Nc2cc(CNCCN3CCCCC3)cc(CNCCN3CCCCC3)c2)CC1

CN(C)Cc1ccccc1-c1cc(CNCCN2CCCCC2)cc(CNCCN2CCCCC2)c1

Oc1c(CN2CCCC2)cc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1

CN1CCN(Cc2ccccc2-c2cc(CNCCN3CCCCC3)cc(CNCCN3CCCCC3)c2)CC1

Clc1ccc2c(Nc3cc(CN4CCOCC4)cc(NC(=O)CN4CCCCC4)c3)ccnc2c1

C(CN1CCCCC1)NCc1cc(CNCCN2CCCCC2)cc(c1)-c1ccccc1CN1CCOCC1

CN1CCN(Cc2ccccc2-c2cc(cc(c2)C(=O)NCCN2CCCCC2)C(=O)NCCN2CCCCC2)CC1

Oc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(cc2)C#N)c2cccnc12

Oc1ccc(CN2CCN(CC2)C(=O)CCc2ccccc2)c2cccnc12

c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O

Oc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(F)cc2)c2cccnc12

Oc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(F)cc2F)c2cccnc12

Oc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccccc2Cl)c2cccnc12

COc1ccc(CCC(=O)N2CCN(Cc3ccc(O)c4ncccc34)CC2)cc1

Oc1ccc(CN2CCN(CC2)C(=O)CCc2ccc(F)cc2)c2cccnc12

Oc1ccc(CN2CCN(CC2)C(=O)CCc2ccccc2Cl)c2cccnc12

Oc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccccc2)c2cccnc12

Oc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2)c2cccnc12

COc1ccc(\C=C\C(=O)N2CCN(Cc3ccc(O)c4ncccc34)CC2)cc1OC

Cc1ccccc1\C=C\C(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1

Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1

C[n+]1c2CCC(=C/c3cccc4ccccc34)C(=O)c2c(N)c2ccccc12

CN(C)c1ccc(\C=C\c2cc(=O)c(O)co2)cc1

Oc1ccccc1\C=C\c1cc(=O)c(O)co1

Oc1coc(\C=C\c2cccc(F)c2)cc1=O

COc1ccccc1\C=C\c1cc(=O)c(O)co1

Oc1ccc(\C=C\c2cc(=O)c(O)co2)cc1

Oc1cc(O)cc(\C=C\c2cc(=O)c(O)co2)c1

Oc1ccc(\C=C\C(=O)NCCCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1O

Oc1ccc(\C=C\c2cnc(OCCOCCOCCF)c(I)c2)cc1

CNc1ccc(\C=C\c2cnc(OCCOCCOCCF)c(I)c2)cc1

Oc1ccc(\C=C\c2cnc(OCCOCCOCCF)c(Br)c2)cc1

CN(C)c1ccc(\C=C\c2cnc(OCCO)c(Br)c2)cc1

OCCOc1ncc(\C=C/c2ccc(O)cc2)cc1Br

CNc1ccc(\C=C\c2cnc(OCCO)c(I)c2)cc1

CNc1ccc(\C=C\c2cnc(OCCO)c(Br)c2)cc1

CN(C)c1ccc(\C=C\c2cnc(OCCO)c(I)c2)cc1

OCCOc1ncc(\C=C\c2ccc(O)cc2)cc1I

CN(C)c1ccc(\C=C\c2cnc(OCCOCCOCCF)c(I)c2)cc1

CNc1ccc(\C=C\c2cnc(OCCOCCOCCF)c(Br)c2)cc1

CN(C)c1ccc(\C=C\c2cnc(OCCOCCOCCF)c(Br)c2)cc1

Nc1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1

CN(C)c1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1

Nc1ccc(cc1)C#Cc1ccc(OCCOCCF)cc1

c1ccc(cc1)C#Cc1ccccc1

Nc1ccc(cc1)C#Cc1ccc(N)cc1

CNc1ccc(cc1)C#Cc1ccc(OCCOCCOCCO)cc1

CNc1ccc(cc1)C#Cc1ccc(OCCOCCO)cc1

CNc1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1

Nc1ccc(cc1)C#Cc1ccc(OCCOCCOCCO)cc1

Nc1ccc(cc1)C#Cc1ccc(O)cc1

CNc1ccc(cc1)C#Cc1ccc(O)cc1

CN(C)c1ccc(cc1)C#Cc1ccc(OCCOCCF)cc1

COc1ccc(cc1)C#Cc1ccc(N)cc1

COc1ccc(cc1)C#Cc1ccc(O)cc1

CN(C)c1ccc(cc1)C#Cc1ccc(OCCOCCO)cc1

CN(C)c1ccc(cc1)C#Cc1ccc(OCCOCCOCCO)cc1

Oc1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1

CNc1ccc(cc1)C#Cc1ccc(OCCOCCF)cc1

CNc1ccc(cc1)-c1nc2ccc(O)cc2s1

CNc1ccc(cc1)-c1nc2ccc(cc2s1)-c1nc2ccc(Cl)cc2s1

Nc1ccc(cc1)-c1nc2ccc(cc2s1)-c1nc2ccccc2s1

CN(C)c1ccc(cc1)-c1nc2ccc(cc2s1)-c1nc2ccc(F)cc2s1

Nc1ccc(cc1)-c1nc2ccc(cc2s1)-c1nc2ccc(Cl)cc2s1

Nc1ccc(cc1I)-c1nc2ccc(cc2s1)-c1nc2ccccc2s1

CNc1ccc(cc1)-c1nc2ccc(cc2s1)-c1nc2ccccc2s1

COc1ccc2nc(sc2c1)-c1ccc2nc(sc2c1)-c1ccc(N)cc1

Nc1ccc(cc1)-c1nc2ccc(cc2s1)-c1nc2ccc(F)cc2s1

CNc1ccc(cc1)-c1nc2ccc(cc2s1)-c1nc2ccc(F)cc2s1

CNc1ccc(cc1C)-c1cn2cc(SCC(N)=O)ccc2n1

Cc1cc(ccc1N)-c1cn2cc(Br)ccc2n1

CN(CCF)c1ccc(cc1)-c1cn2cc(I)ccc2n1

CN(C)c1ccc(cc1)-c1cn2cc(Br)cc(C#N)c2n1

CNc1ccc(cc1)-c1cn2cc(SCCO)ccc2n1

CN(C)c1ccc(cc1)-c1cn2cc(Cl)ncc2n1

CNc1ccc(cc1)-c1cn2cc(SCC(N)=O)ccc2n1

CNc1ccc(cc1Br)-c1cn2cc(Br)ccc2n1

CN(C)c1ccc(cc1)-c1cn2cc(F)ccc2n1

CN(C)c1ccc(cc1)-c1cn2cc(Cl)cnc2n1

CN(C)c1ccc(cc1)-c1cn2cc(Br)cc(I)c2n1

CN(C)c1ccc(cc1)-c1cn2cc(ccc2n1)[N+]([O-])=O

CN(CCCF)c1ccc(cc1)-c1cn2cc(I)ccc2n1

CN(C)c1ccc(cc1)-c1cn2cc(Cl)ccc2n1

Cc1cc(ccc1NC(=O)C(F)(F)F)-c1cn2cc(Br)ccc2n1

CN(C)c1ccc(cc1)-c1cn2cc(SCC(N)=O)ccc2n1

CN(C)c1ccc(cc1)-c1cn2cc(Br)ccc2n1

CN(C(=O)C(F)(F)F)c1ccc(cc1Br)-c1cn2cc(Br)ccc2n1

CN(C)c1ccc(cc1)-c1cn2cc(ccc2n1)C#N

COc1ccc(CSc2ccc3nc(cn3c2)-c2ccc(cc2)N(C)C)cc1

CN(C)c1ccc(cc1)-c1cn2cc(O)ccc2n1

CNc1ccc(cc1C)-c1cn2cc(Br)ccc2n1

CN(C)c1ccc(cc1)-c1cn2cc(SCCO)ccc2n1

CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1

CNc1ccc(cc1C)-c1cn2cc(SCCO)ccc2n1

COc1ccc2nc(cn2c1)-c1ccc(cc1)N(C)C

CN(C(C)=O)c1ccc(cc1C)-c1cn2cc(Br)ccc2n1

CCSc1ccc2nc(cn2c1)-c1ccc(cc1)N(C)C

CN(C)c1ccc(cc1)C#Cc1cnc(OCCO)c(I)c1

CN(C)c1ccc(cc1)C#Cc1cnc(OCCOCCOCCF)c(I)c1

OCCOc1ncc(cc1I)C#Cc1ccc(O)cc1

CNc1ccc(cc1)C#Cc1cnc(OCCOCCOCCF)c(Br)c1

CN(C)c1ccc(cc1)C#Cc1cnc(OCCO)c(Br)c1

CN(C)c1ccc(cc1)C#Cc1cnc(OCCOCCOCCF)c(Br)c1

CNc1ccc(cc1)C#Cc1cnc(OCCO)c(I)c1

CNc1ccc(cc1)C#Cc1cnc(OCCO)c(Br)c1

CN(C)c1cc(\C=C\c2cccc(\C=C\c3ccc(O)c(c3)N(C)C)c2)ccc1O

COc1cc(\C=C\c2cccc(\C=C\c3ccc(N(C)C)c(OC)c3)n2)ccc1N(C)C

CN(C)c1ccc(\C=C\c2cc(I)cc(\C=C\c3ccc(cc3)N(C)C)c2)cc1

CN(C)c1ccc(\C=C\c2cccc(\C=C\c3ccc(N(C)C)c(O)c3)c2)cc1O

COc1ccc(\C=C\c2cccc(\C=C\c3ccc(OC)c(N)c3)c2)cc1N

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

CN(C)c1ccc(\C=C\c2cccc(\C=C\c3ccc(cc3)N(C)C)c2)cc1

COc1cc(\C=C\c2cc(Br)cc(\C=C\c3ccc(O)c(OC)c3)n2)ccc1O

COc1cc(\C=C\c2cc(cc(\C=C\c3ccc(O)c(OC)c3)n2)N(C)C)ccc1O

CNc1cc(\C=C\c2cccc(\C=C\c3ccc(OC)c(NC)c3)c2)ccc1OC

CNc1ccc(\C=C\c2cccc(\C=C\c3ccc(NC)c(OC)c3)c2)cc1OC

COc1cc(\C=C\c2cccc(\C=C\c3ccc(O)c(OC)c3)n2)ccc1O

COc1cc(\C=C\c2cc(Cl)cc(\C=C\c3ccc(O)c(OC)c3)n2)ccc1O

COc1cc(\C=C\c2cccc(\C=C\c3ccc(N)c(OC)c3)c2)ccc1N

CNc1cc(\C=C\c2cccc(\C=C\c3ccc(OC)c(NC)c3)n2)ccc1OC

COc1cc(\C=C\c2cccc(\C=C\c3ccc(N)c(OC)c3)n2)ccc1N

CN(C)c1ccc(\C=C\c2cc(Br)cc(\C=C\c3ccc(cc3)N(C)C)c2)cc1

CNc1ccc(\C=C\c2cccc(\C=C\c3ccc(NC)c(OC)c3)n2)cc1OC

COc1ccc(\C=C\c2cc(Br)cc(\C=C\c3ccc(OC)c(OC)c3)c2)cc1OC

OC(=O)c1cc(\C=C\c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(I)c2)ccc1O

CN(C)c1cc(\C=C\c2cccc(\C=C\c3ccc(O)c(c3)N(C)C)n2)ccc1O

CN(C)c1ccc(\C=C\c2cccc(\C=C\c3ccc(N(C)C)c(O)c3)n2)cc1O

COc1cc(\C=C\c2ccc(O)c(OC)c2)nc(\C=C\c2ccc(O)c(OC)c2)c1

COc1ccc(\C=C\c2cccc(\C=C\c3ccc(OC)c(c3)N(C)C)n2)cc1N(C)C

CNc1cc(\C=C\c2cccc(\C=C\c3ccc(O)c(NC)c3)n2)ccc1O

COc1cc(\C=C\c2cccc(\C=C\c3ccc(N(C)C)c(OC)c3)c2)ccc1N(C)C

COc1cc(\C=C\c2cccc(\C=C\c3ccc(N4CCCC4)c(OC)c3)c2)ccc1N1CCCC1

CNc1ccc(\C=C\c2cccc(\C=C\c3ccc(NC)c(O)c3)n2)cc1O

COc1cc(\C=C\c2cc(C)cc(\C=C\c3ccc(O)c(OC)c3)n2)ccc1O

COc1cc(\C=C\c2cc(Br)cc(\C=C\c3ccc(N)c(OC)c3)c2)ccc1N

COc1ccc(\C=C\c2cccc(\C=C\c3ccc(OC)c(c3)N(C)C)c2)cc1N(C)C

COc1cc(\C=C\c2cc(Br)cc(\C=C\c3ccc(O)c(OC)c3)c2)ccc1O

COc1cc(\C=C\c2cc(Br)cc(\C=C\c3ccc(N)c(OC)c3)n2)ccc1N

CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C

COc1ccc(\C=C\c2cccc(\C=C\c3ccc(OC)c(N)c3)n2)cc1N

COC(=O)CCSc1ccc2nc(cn2c1)-c1ccc(cc1)N(C)C

CSc1ccc2nc(cn2c1)-c1ccc(cc1)N(C)C

CSc1ccc2nc(cn2c1)-c1ccc(N)cc1

CNc1ccc(cc1)-c1cn2cc(SC)ccc2n1

FCCOCCOCCOc1ccc(cc1)C#Cc1ccc2[nH]ccc2c1

FCCOCCOCCOc1ccc(cc1)C#Cc1ccc2NCCc2c1

Cc1ccc2nc(sc2c1)-c1ccc(F)cc1

OC(=O)c1ccc2nc(sc2c1)-c1ccc(F)cc1

COc1ccc2nc(sc2c1)-c1ccc(F)cc1

Oc1ccc2nc(sc2c1)-c1ccc(F)cc1

Oc1cc(O)c2sc(nc2c1)-c1ccc(F)cc1

[O-][N+](=O)c1ccc(cc1)-c1nc2ccccc2s1

CNc1ccc(cc1)-c1nc2cccc(O)c2s1

CNc1ccc(cc1)-c1nc2cc(O)ccc2s1

CNc1ccc(cc1)-c1nc2c(O)cccc2s1

CN(C)c1ccc2nc(sc2c1)-c1ccc(F)cc1

CNc1ccc2nc(sc2c1)-c1ccc(F)cc1

Nc1ccc2nc(sc2c1)-c1ccc(F)cc1

CNc1ccc(cn1)-c1nc2ccc(O)cc2s1

CNc1ccc(cc1F)-c1nc2ccc(O)cc2s1

CNc1ccc(\C=C\c2ccc(OCCCCCCF)nc2)cc1

CN(C)c1ccc(\C=C\c2cccc(I)c2)cc1

CN(C)c1ccc(\C=C\c2ccc(I)cc2)cc1

COc1ccc(\C=C\c2cccc(I)c2)cc1

Oc1ccc(\C=C\c2cccc(I)c2)cc1

CNc1ccc(\C=C\c2ccc(OCCCCF)cc2)cc1

CNc1ccc(\C=C\c2ccc(OCCCCCCCCCCCCCCF)cc2)cc1

CNc1ccc(\C=C\c2ccc(OCCCCCCCCCCCCCCCCCCF)cc2)cc1

CNc1ccc(\C=C\c2ccc(OCCCCCCCCCCCCCCCCCCCCF)cc2)cc1

CNc1ccc(\C=C\c2ccc(O)cc2)cc1

CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C

[#6]-[#7](-[#6]-[#6]F)-c1ccc2cc(ccc2c1)-[#6](\[#6])=[#6](\C#N)C#N

CN(C)c1ccc(\C=C\c2nc3ccccc3s2)cc1

CNc1ccc(\C=C\c2ccc(OCCCCCCCCCCCCCCCCF)cc2)cc1

OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:25.28,11.12|

CN(C)c1ccc(\C=C\c2ccccc2I)cc1

CNc1ccc(\C=C\c2ccc(OCCCCCCCCCCF)cc2)cc1

CNc1ccc(\C=C\c2ccc(OCCCCCCF)cc2)cc1

CN(C)c1ccc(\C=C\c2ccc(F)cc2)cc1

CNc1ccc(\C=C\c2ccc(OCC(CO)CF)cc2)cc1

CNc1ccc(\C=C\c2ccc(OCCCCCCCCCCCCF)cc2)cc1

CNc1ccc(\C=C\c2ccc(OCCCCCCCCF)cc2)cc1

CNc1ccc(\C=C\c2ccc(OCCCCCCCCCCCCCCCCCCCCCCCCF)cc2)cc1

CN1C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc2C1=O

Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O

CN1C(=O)c2ccc(Nc3ccc([125I])cc3)cc2C1=O

CN1C(=O)c2ccc(Nc3ccccc3)cc2C1=O

CN1C(=O)c2ccc(Nc3ccc(C)cc3)cc2C1=O

COc1ccc(Nc2ccc3C(=O)N(C)C(=O)c3c2)cc1

CN1C(=O)c2ccc(Nc3ccc(O)cc3)cc2C1=O

CN1C(=O)c2ccc(Nc3ccc(Br)cc3)cc2C1=O

O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12

CN1C(=O)c2ccc(Nc3ccc(I)cc3)cc2C1=O

[3H]C([3H])([3H])N(c1ccc(cn1)-c1nc2ccc(O)cc2s1)C([3H])([3H])[3H]

CN(C)c1ncc(cn1)-c1nc2ccc(O)cc2s1

CNc1ncc(cn1)-c1nc2ccc(O)cc2s1

CNc1ccc2nc(sc2c1)-c1ccc(nc1)C(N)=O

[3H]C([3H])([3H])N(c1ccc(cn1)-c1nc2ccc(OC)cc2o1)C([3H])([3H])[3H]

CNc1ccc(cn1)-c1nc2ccc(OC)cc2o1

CN(C)c1ccc(cn1)-c1nc2cc(O)ccc2o1

[3H]C([3H])([3H])N(c1ncc(cn1)-c1nc2ccc(O)cc2o1)C([3H])([3H])[3H]

CNc1ccc(cn1)-c1cc2ccc(O)cc2o1

COc1ccc2cc(oc2c1)-c1ccc(cn1)C(N)=O

CNc1ccc(cn1)-c1nc2ccc(cc2s1)C(N)=O

CNc1ccc(cn1)-c1cc2ccc(OC)cc2o1

[3H]N(c1ccc(cn1)-c1nc2ccc(OC)cc2s1)C([3H])([3H])[3H]

CNc1ccc(cn1)-c1nc2cc(O)ccc2s1

[3H]N(c1ccc(cn1)-c1nc2ccc(O)cc2o1)C([3H])([3H])[3H]

[3H]C([3H])([3H])N(c1ccc(cn1)-c1nc2ccc(O)cc2o1)C([3H])([3H])[3H]

COc1ccc2cc(oc2c1)-c1ccc(nc1)C(N)=O

COc1ccc2nc(sc2c1)-c1ccc(nc1)N(C)C

CNc1ccc(cc1)-c1cn2c(n1)sc1cc(OC)ccc21

CNc1ccc(cc1)-c1nc2ccc(F)cc2s1

CN(C)c1ccc(cc1)-c1nc2ccc(F)cc2s1

Nc1ccc(cc1)-c1nc2ccc(F)cc2s1

CN(CCF)c1ccc(\C=C\c2nc3ccccc3s2)cc1

CN(CCF)c1ccc(\C=C/c2nc3ccccc3o2)cc1

CN(CCF)c1ccc(\C=C\c2nc3ccccc3n2C)cc1

CN(CCF)c1ccc(\C=C\c2nc3ccccc3o2)cc1

CN(CCF)c1ccc(\C=C/c2nc3ccccc3s2)cc1

CN(CCF)c1ccc(\C=C/c2nc3ccccc3n2C)cc1

CN(CCF)c1ccc(\C=C\c2nc3ccccc3[nH]2)cc1

CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])nc2)cc1

CNc1ccc(cc1)-c1cn2c(n1)sc1cc(OCC[18F])ccc21

CN(C(=O)OC(C)(C)C)c1ccc(\C=C\c2ccc(OCCOCCOCCOCCOCC(COCCOCCOCCOCCOc3ccc(\C=C\c4ccc(cc4)N(C)C(=O)OC(C)(C)C)cn3)OCCF)nc2)cc1

CNc1ccc(-c2nc3ccc(O)cc3s2)c([18F])n1

CNc1ccc(\C=C\c2ccc(OCCOCCOCCOCCOCC(COCCOCCOCCOCCOc3ccc(\C=C\c4ccc(NC)cc4)cn3)OCCF)nc2)cc1

CNc1ccc(\C=C\c2ccc(OCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCOc3ccc(\C=C\c4ccc(NC)cc4)cn3)OCCF)nc2)cc1

CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])cc2)cc1

CNc1ccc(\C=C\c2ccc(OCCOCCOCCOCCNC(=O)CN(CC(=O)NCCOCCOCCOCCOc3ccc(\C=C\c4ccc(NC)cc4)cn3)C(=O)COCCOCCOCCF)nc2)cc1

CNc1ccc(\C=C\c2ccc(OCCOCCOCCOCCn3cc(COCC(COCCOCCOCCF)(COCc4cn(CCOCCOCCOCCOc5ccc(\C=C\c6ccc(NC)cc6)cn5)nn4)COCc4cn(CCOCCOCCOCCOc5ccc(\C=C\c6ccc(NC)cc6)cn5)nn4)nn3)nc2)cc1

CNc1ccc(\C=C\c2ccc(OCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOc3ccc(\C=C\c4ccc(NC)cc4)cn3)OCCF)nc2)cc1

CNc1ccc(nc1F)-c1nc2ccc(O)cc2s1

CNc1ccc(-c2nc3ccc(O)cc3s2)c(F)n1

CNc1ccc(-c2cc3cc(ccc3o2)C(N)=O)c(F)n1

COc1ccc2oc(cc2c1)-c1ccc(nc1F)C(N)=O

NC(=O)c1ccc(-c2cc3cc(O)ccc3o2)c(F)n1

CNc1ccc(nc1F)-c1cc2cc(ccc2o1)C(N)=O

Oc1ccc2nc(oc2c1)-c1ccc(NCCF)nc1

Oc1ccc2nc(oc2c1)-c1ccc(NCCCF)nc1

Oc1ccc2nc(sc2c1)-c1ccc(NCCF)nc1

CNc1ccc(-c2nc3ccc(OC)cc3s2)c(F)n1

COc1ccc2nc(oc2c1)-c1ccc(NCCF)nc1

Oc1ccc2nc(sc2c1)-c1ccc(NCCCF)nc1

CNc1ncc(cc1F)-c1nc2ccc(O)cc2s1

CNc1ncc(cc1F)-c1cc2cc(O)ccc2o1

CNc1ccc(nc1F)-c1cc2cc(O)ccc2o1

CNc1ccc(-c2cc3cc(O)ccc3o2)c(F)n1

Oc1ccc(\C=C\c2cc(O)cc(\C=C\c3ccc(O)cc3)c2)cc1

CN(C)c1ccc(\C=C\c2cc(O)cc(\C=C\c3ccc(N(C)C)c(O)c3)c2)cc1O

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)ncn2)ccc1O

CN(C)c1cc(\C=C\c2cc(\C=C\c3ccc(O)c(c3)N(C)C)ncn2)ccc1O

COc1ccc(\C=C\c2cc(O)cc(\C=C\c3ccc(OC)c(O)c3)c2)cc1O

COc1ccc(\C=C\c2cc(\C=C\c3ccc(OC)c(O)c3)ncn2)cc1O

CN(C)c1ccc(\C=C\c2cc(\C=C\c3ccc(N(C)C)c(O)c3)ncn2)cc1O

CSc1nc(\C=C\c2ccc(N(C)C)c(O)c2)cc(\C=C\c2ccc(N(C)C)c(O)c2)n1

COc1nc(\C=C\c2ccc(N(C)C)c(O)c2)cc(\C=C\c2ccc(N(C)C)c(O)c2)n1

Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(c1)\N=C\c1cc(Cl)cc(Cl)c1O

Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(N)c1

C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O

c1ccc(cc1)\C=C\C(=O)O

c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O

OC(=O)[C@@]1(O)C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r,wU:6.6,3.2,wD:20.21,34.38,(25.37,-9.18,;24.04,-8.44,;24.03,-6.9,;22.72,-9.21,;21.39,-8.44,;24.06,-9.99,;24.06,-11.54,;25.4,-12.31,;26.73,-11.55,;26.73,-10.01,;28.06,-12.32,;29.4,-11.55,;30.73,-12.32,;32.06,-11.55,;33.39,-12.32,;33.39,-13.87,;34.73,-14.64,;32.06,-14.63,;32.05,-16.17,;30.72,-13.86,;22.72,-12.31,;22.72,-13.85,;24.05,-14.62,;25.4,-13.88,;24.02,-16.16,;25.33,-16.96,;25.3,-18.5,;26.61,-19.29,;26.58,-20.82,;25.23,-21.57,;25.19,-23.11,;23.91,-20.77,;22.56,-21.51,;23.94,-19.23,;21.39,-11.54,;21.39,-9.99,;20.05,-12.3,;18.71,-11.54,;18.71,-10,;17.38,-12.31,;16.05,-11.54,;14.71,-12.31,;13.39,-11.54,;12.06,-12.31,;12.06,-13.86,;10.72,-14.63,;13.39,-14.63,;13.39,-16.17,;14.72,-13.85,)|

O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|

O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|

COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|

COC(=O)[C@@]1(O)C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r,wU:7.7,wD:21.22,35.39,4.4,(31.7,-35.76,;30.63,-36.86,;29.14,-36.47,;28.73,-34.98,;28.05,-37.57,;26.95,-36.47,;29.38,-38.35,;29.38,-39.89,;30.72,-40.66,;32.05,-39.89,;32.05,-38.35,;33.38,-40.67,;34.72,-39.9,;36.05,-40.67,;36.04,-42.21,;37.37,-42.98,;38.71,-42.21,;40.04,-42.98,;38.71,-40.66,;40.04,-39.89,;37.38,-39.9,;28.05,-40.65,;28.05,-42.19,;26.7,-42.92,;25.39,-42.12,;26.66,-44.46,;25.3,-45.2,;25.26,-46.74,;26.57,-47.54,;26.53,-49.08,;25.18,-49.81,;25.13,-51.35,;23.86,-48.99,;22.5,-49.72,;23.91,-47.46,;26.73,-39.89,;26.73,-38.35,;25.39,-40.66,;24.06,-39.89,;24.06,-38.35,;22.73,-40.67,;21.39,-39.9,;20.06,-40.67,;20.07,-42.21,;18.73,-42.98,;17.4,-42.21,;16.06,-42.98,;17.4,-40.66,;16.07,-39.89,;18.73,-39.9,)|

O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C\c1ccc(O)c(O)c1 |r,wU:2.25,4.22,wD:1.0,7.8,4.4,(-1.06,-23.53,;-1.06,-21.99,;.29,-21.22,;.29,-19.66,;-1.06,-18.89,;.22,-18.03,;-2.39,-19.66,;-2.39,-21.22,;-3.73,-21.99,;-3.73,-23.53,;-2.39,-24.3,;-5.06,-24.3,;-5.06,-25.84,;-6.39,-26.61,;-7.73,-25.84,;-9.06,-26.61,;-9.06,-28.15,;-10.39,-28.92,;-7.72,-28.92,;-7.71,-30.46,;-6.39,-28.15,;-1.91,-17.6,;-.95,-16.4,;-3.45,-17.53,;1.62,-21.99,;1.61,-23.53,;.28,-24.3,;2.95,-24.3,;2.94,-25.84,;4.27,-26.62,;4.26,-28.16,;5.59,-28.93,;6.93,-28.16,;8.26,-28.93,;6.93,-26.61,;8.26,-25.84,;5.6,-25.85,)|

O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|

Clc1cc(c(Cl)s1)S(=O)(=O)Nc1ccc(cc1)N1CCCCC1

Cc1nc2sc3CCCCc3c2c(=O)o1

[O-][N+](=O)c1cc(Cl)ccc1NC(=O)Nc1ccccc1

Nc1c(cnc2cc(nn12)-c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1

Cn1ccc2cc(ncc12)-c1nc2ccc(F)nc2o1

Fc1ccc2nc(oc2n1)-c1ccc2cc[nH]c2c1

Cn1ncc2cc(cnc12)-c1nc2ccc(F)nc2o1

Cn1ccc2cc(cnc12)-c1nc2ccc(F)nc2o1

CN(C)c1ccc(cn1)-c1nc2ccc(F)nc2o1

CNc1ccc(cn1)-c1nc2ccc(F)nc2o1

CN(C)c1ccc(cc1)-c1nc2ccc(F)nc2o1

Cn1ncc2cc(ccc12)-c1nc2ccc(F)nc2o1

Fc1ccc2nc(oc2n1)-c1ccc2[nH]ccc2c1

Fc1ccc2nc(oc2n1)-c1ccc2ncsc2c1

COc1ccc(cc1)-c1nc2ccc(F)nc2o1

Cn1cnc2cc(ccc12)-c1nc2ccc(F)nc2o1

CN1CCc2cc(cnc12)-c1nc2ccc(F)nc2o1

CNc1ccc(cc1)-c1nc2ccc(F)nc2o1

[3H]C([3H])([3H])n1ccc2cc(ccc12)-c1nc2ccc(F)nc2o1

Fc1ccc2nc(oc2n1)-c1cnc2[nH]ccc2c1

Cn1ccc2cc(ccc12)-c1nc2ccc(F)nc2o1

COc1ccc2nc(\N=C\c3ccc(cc3)[N+]([O-])=O)sc2c1

COc1ccc2nc(\N=C\c3ccc(I)cc3)sc2c1

COc1ccc(\C=N\c2nc3ccc(OC)cc3s2)cc1

COc1ccc2nc(\N=C\c3ccc(O)cc3)sc2c1

COc1ccc2nc(\N=C\c3ccc(Br)cc3)sc2c1

COc1ccc2nc(\N=C\c3ccc(cc3)N(C)C)sc2c1

COc1c2ccc(I)cc2nc2ccc(cc12)N(C)C

COc1ccc2nc3cc(I)ccc3c(N(C)C)c2c1

CCN(CC)CCCC(C)Nc1c2ccc(I)cc2nc2ccc(OC)cc12

CNc1c2ccc(I)cc2nc2ccc(OC)cc12

COc1c2ccccc2nc2cc(I)ccc12

COc1ccc2nc3cc(I)ccc3c(N)c2c1

COc1ccc2nc3cc(I)ccc3c(OC)c2c1

Oc1ccc(cc1O)-c1ccccc1-c1ccc(O)c(O)c1

Oc1ccc(cc1O)-c1cccc(c1)-c1ccc(O)c(O)c1

Oc1ccc(cc1O)-c1ccc(O)c(O)c1

COc1ccc2cc(C(=O)CN3CCN(CC3)c3ccccc3)c(=O)oc2c1

COc1ccc2cc(C(=O)CN3CCOCC3)c(=O)oc2c1

COc1ccc2cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c(=O)oc2c1

COc1ccc2cc(C(=O)CN3CCN(Cc4ccccc4)CC3)c(=O)oc2c1

COc1ccc2cc(C(=O)CN3CCN(CC3)c3ncccn3)c(=O)oc2c1

COc1ccc2cc(C(=O)CN3CCC(CC3)c3ccccc3)c(=O)oc2c1

Cn1c(cc2ccccc12)-c1ccc(NCCF)cc1

CN(CCCF)c1ccc(cc1)-c1cc2ccccc2n1C

CN(CCF)c1ccc(cc1)-c1cc2ccccc2[nH]1

CN(CCF)c1ccc(cc1)-c1cc2ccccc2n1C

Cn1c(cc2ccccc12)-c1ccc(NCCCF)cc1

CN(CCCF)c1ccc(cc1)-c1cc2ccccc2[nH]1

CNc1ccc(cc1)-c1cnc2cc(OCC[18F])ccc2n1

CNc1ccc(cc1)-c1cnc2ccc(OCC[18F])cc2n1

CNc1ccc(\C=C\c2ccc(OCCOCCOCCF)nc2)cc1

CNc1ccc(cc1)-c1cnc2cc(OCCF)ccc2n1

Nc1ccc(cc1)-c1cnc2cc(OCCF)ccc2n1

Nc1ccc(cc1)-c1cnc2ccc(OCC[18F])cc2n1

CN(C)c1ccc(cc1)-c1cnc2cc(OCC[18F])ccc2n1

CN(C)c1ccc(cc1)-c1cnc2ccc(OCCF)cc2n1

CNc1ccc(cc1)-c1cnc2ccc(OCCF)cc2n1

Nc1ccc(cc1)-c1cnc2ccc(OCCF)cc2n1

CN(C)c1ccc(cc1)-c1cnc2cc(OCCF)ccc2n1

COc1ccc(C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)c(O)c1

CCOCCOc1ccc(\C=C\C(=O)c2ccc(OC)cc2O)cc1

CCOCCOc1cccc(\C=C\C(=O)c2ccc(OC)cc2O)c1

CCOCCCOc1ccc(\C=C\C(=O)c2ccc(OC)cc2O)cc1OC

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(=O)Nc2ccccc2OC)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(=O)Nc2ccc(C)cc2C)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(=O)N(C)c2ccccc2)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(=O)NC(C)C)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(=O)N2CCCCC2)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(=O)N2CCN(C)CC2)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(=O)N2CCCC2)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(=O)Nc2ccccc2O)c(O)c1

COc1ccc(C(=O)\C=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(OCCCOc3ccccc3)c(OC)c2)c(O)c1

COc1ccc(\C=C\C(=O)c2ccc(OC)cc2O)cc1

CCCNC(=O)c1ccc(\C=C\C(=O)c2ccc(OC)cc2O)cc1

CCCCCCCCCCCCNC(=O)c1ccc(\C=C\C(=O)c2ccc(OC)cc2O)cc1

c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O

COc1ccc(C(=O)\C=C\c2ccc(OCc3ccccc3)cc2)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(=O)Nc2cc(ccc2O)[N+]([O-])=O)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(=O)NCc2ccccc2)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(=O)N2CCOCC2)c(O)c1

COc1ccc(C(=O)\C=C\c2cc(OC)c(OC)cc2OC)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(O)=O)c(O)c1

COc1ccc(C(=O)\C=C\c2ccc(cc2)C(=O)NCCc2ccccc2)c(O)c1

COC(=O)c1ccc(\C=C\C(=O)c2ccc(OC)cc2O)cc1

CC(C(=O)NCCCNCCCNC1=CC(=O)c2ccccc2C1=O)c1ccc(c(F)c1)-c1ccccc1 |t:13|

C[S+]([O-])c1ccc(\C=C2/C(C)=C(CC(=O)NCCCNCCCNC3=CC(=O)C(NCCCNCCCNC(=O)CC4=C(C)\C(=C/c5ccc(cc5)[S+](C)[O-])c5ccc(F)cc45)=CC3=O)c3cc(F)ccc23)cc1 |c:41,64,t:10,24|

CC(C)Cc1ccc(cc1)C(C)C(=O)NCCCNCCCNC1=CC(=O)C(NCCCNCCCNC(=O)C(C)c2ccc(CC(C)C)cc2)=CC1=O |c:52,t:24|

C[C@@H](C(=O)NCCCNCCCNC1=CC(=O)C(NCCCNCCCNC(=O)[C@H](C)c2ccc(c(F)c2)-c2ccccc2)=CC1=O)c1ccc(c(F)c1)-c1ccccc1 |r,c:45,t:13|

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCNCCCNC3=CC(=O)C(NCCCNCCCNC(=O)Cc4c(C)n(C(=O)c5ccc(Cl)cc5)c5ccc(OC)cc45)=CC3=O)c2c1 |c:72,t:32|

CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18|

C[C@H](C(=O)NCCCNCCCNC1=CC(=O)C(NCCCNCCCNC(=O)[C@@H](C)c2ccc(c(F)c2)-c2ccccc2)=CC1=O)c1ccc(c(F)c1)-c1ccccc1 |r,c:45,t:13|

Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCCNCCCNC1=CC(=O)C(NCCCNCCCNC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)=CC1=O |c:62,t:29|

OC(OC(Cc1ccc(O)c(O)c1)C(O)=O)C1C(Oc2cc(O)cc(\C=C\C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1

[O-][N+](=O)c1ccc(\C=C2/COc3ccc(Br)cc3C2=O)cc1

COc1ccc(\C=C2/COc3ccc(Br)cc3C2=O)cc1

COc1cc(OC)cc(\C=C2/COc3ccc(Br)cc3C2=O)c1

CN(C)c1ccc(\C=C2/COc3ccc(Br)cc3C2=O)cc1Br

Nc1ccc(\C=C2/COc3ccc(Br)cc3C2=O)cc1

Brc1ccc2OC\C(=C/c3ccccc3)C(=O)c2c1

Oc1ccc(\C=C2/COc3ccc(Br)cc3C2=O)cc1

COc1cccc(\C=C2/COc3ccc(Br)cc3C2=O)c1

CN(C)c1ccc(\C=C2/COc3ccc(Br)cc3C2=O)cc1

COc1ccc(\C=C2/COc3ccc(Br)cc3C2=O)cc1OC

Brc1ccc(\C=C2/COc3ccc(Br)cc3C2=O)cc1

COc1cc(\C=C2/COc3ccc(Br)cc3C2=O)ccc1O

COc1ccc(COc2ccc(I)cc2)cc1

Clc1ccc(OCc2ccc(I)cc2)cc1

CNc1ccc(OCc2ccc(I)cc2)cc1

COc1cccc(OCc2ccc(I)cc2)c1

Ic1ccc(COc2ccccc2)cc1

COc1ccc(OCc2ccc([125I])cc2)cc1

Oc1ccc(OCc2ccc(I)cc2)cc1

Oc1cccc(OCc2ccc(I)cc2)c1

Fc1ccc(OCc2ccc(I)cc2)cc1

CC(C)(C)c1ccc(OCc2ccc(I)cc2)cc1

Nc1ccc(OCc2ccc(I)cc2)cc1

CNc1ccccc1OCc1ccc(I)cc1

CN(C)c1cccc(OCc2ccc(I)cc2)c1

COc1ccc(SCc2ccc(I)cc2)cc1

COc1ccc(OCc2ccc(I)cc2)cc1

Oc1ccccc1OCc1ccc(I)cc1

Brc1ccc(OCc2ccc(I)cc2)cc1

Ic1ccc(COc2ccc(I)cc2)cc1

Nc1cccc(OCc2ccc(I)cc2)c1

Nc1ccccc1OCc1ccc(I)cc1

CN(C)c1ccc(OCc2ccc(I)cc2)cc1

COc1ccccc1OCc1ccc(I)cc1

CNc1cccc(OCc2ccc(I)cc2)c1

OC(=O)C(CSSCC(NC(=O)Cc1ccccc1)C(O)=O)NC(=O)Cc1ccccc1

CNc1ccc(cc1)C(=O)NC(CCCCCNC(=O)OCc1ccccc1)C(O)=O

[H][C@]12CC=C(C)[C@@]3(C[C@]4(OC(C)=C(C)C4=O)C(=O)O3)[C@]1(C)CC[C@]1([H])[C@]2(C)[C@H](CC(=O)OC1(C)C)OC(C)=O |r,t:3,11|

[H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)NC4=O |r,c:29,TLB:34:33:10.9:2.1|

[H][C@]12CC=C(C)[C@@]3(Cc4c(O3)c(C)c(C)oc4=O)[C@]1(C)CC[C@]1([H])[C@]2(C)[C@@H](O)CC(=O)OC1(C)C |r,t:3|

[H][C@]12CC=C(C)[C@@]3(Cc4c(O3)c(C)c(C)oc4=O)[C@]1(C)CC[C@]1([H])[C@]2(C)C=CC(=O)OC1(C)C |r,c:30,t:3|

[H][C@@]12C[C@]34CCC(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)N(C)C4=O |r,c:28,TLB:34:33:9.8:2.1,THB:32:31:9.8:2.1|

[H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3cc5OC=CC(C)(C)Oc5cc13)C2(C)C)N(C)C4=O |r,c:23,TLB:36:35:10.9:2.1,THB:34:33:10.9:2.1|

CC1(C)Oc2ccc(cc2C=C1)C(O)=O |c:11|

[H][C@@]12C[C@]34C[C@@H](C)CN3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=COc31)C2(C)C)N(C)C4=O |r,c:28,TLB:35:34:8.9:1.2,THB:33:32:8.9:1.2|

[H][C@@]12C[C@]34C[C@@H](C)CN3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)N(C)C4=O |r,c:28,TLB:34:33:9.8:2.1,THB:32:31:9.8:2.1|

[H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)N(C)C4=O |r,c:29,TLB:35:34:10.9:2.1,THB:33:32:10.9:2.1|

[H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=COc31)C2(C)C)NC4=O |r,c:29,TLB:35:34:9.10:2.1|

COc1ccc(COc2ccc(OCCF)cc2)cc1

COc1ccc(OCc2ccc(OCCF)cc2)cc1

CN(C)c1ccc(COc2ccc(OCCOCCF)cc2)cc1

COc1ccc(COc2ccc(OCCOCCF)cc2)cc1

COc1ccc(COc2ccc(OCCOCCOCCF)cc2)cc1

CN(C)c1ccc(OCc2ccc(OCCF)cc2)cc1

CN(C)c1ccc(COc2ccc(OCCF)cc2)cc1

CN(C)c1ccc(COc2ccc(OCCOCCOCCF)cc2)cc1

CNc1cccc(NCCCc2cccc(NCCCc3ccccn3)n2)n1

CNc1cccc(CCNc2cccc(CCN(c3ccccn3)c3ccccn3)n2)n1

CNc1cccc(CCNc2cccc(NCCc3ccccn3)n2)n1

CNc1cccc(CCNc2cccc(CCNc3ccccn3)n2)n1

CNc1cccc(NCCc2cccc(NCc3ccccn3)n2)n1

CNc1cccc(NCCc2cccc(NCCc3ccccn3)n2)n1

Cn1cc(O)c(=O)cc1\C=C\c1cccc(F)c1

CN(C)c1ccc(\C=C\c2cc(=O)c(O)c[nH]2)cc1

CCOc1ccc(\C=C\c2cc(=O)c(O)cn2C)cc1

COc1ccccc1\C=C\c1cc(=O)c(O)c[nH]1

COc1ccccc1\C=C\c1cc(=O)c(O)cn1C

Cn1cc(O)c(=O)cc1\C=C\c1ccc(O)cc1

Oc1ccccc1\C=C\c1cc(=O)c(O)c[nH]1

Oc1c[nH]c(\C=C\c2cccc(F)c2)cc1=O

CCOc1ccc(\C=C\c2cc(=O)c(O)c[nH]2)cc1

Oc1ccc(\C=C\c2cc(=O)c(O)c[nH]2)cc1

N(c1cnc2cc[nH]c2c1)c1ccc2cc[nH]c2n1

N#Cc1c[nH]c2nc(Nc3ccc4c(c[nH]c4c3)C3CCNCC3)ccc12

CN1CCC(CC1)c1c[nH]c2cc(Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)ccc12

Fc1ccc(Nc2ccc3c(c[nH]c3c2)C2CCNCC2)cc1F

Fc1ccc(Nc2ccc3c(c[nH]c3n2)C2CCNCC2)cc1F

CN1CCC(CC1)c1c[nH]c2cc(Nc3ccc(F)c(F)c3)ccc12

COc1ccc(Nc2ccc3c(c[nH]c3c2)C2CCN(C)CC2)cc1OC

Cn1cc(C2CCNCC2)c2ccc(Nc3ccc(F)c(F)c3)cc12

C1CC(CCN1)c1c[nH]c2cc(Nc3ccc4[nH]cc(C5CCNCC5)c4c3)ccc12

C1CC(CCN1)c1c[nH]c2cc(Nc3ccc4c(c[nH]c4n3)C3CCNCC3)ccc12

FC(F)(F)c1ccc(Nc2ccc3c(c[nH]c3c2)C2CCNCC2)cn1

c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O

c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S

CCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1F)-c1ccccc1C(O)=O |r|

CCN(CC)CCCOc1ccc(cc1)-n1ccc(=O)c(O)c1C

C(CSSCCNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12

Oc1c(Cl)cc(-n2[se]c3cccc(F)c3c2=O)c2cccnc12

CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)OCC(O)CO)C3=O)ccc12

CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)OCC4COC(C)(C)O4)C3=O)ccc12

CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)N(CC(O)=O)CC(O)=O)C3=O)ccc12

CCOC(=O)CN(CC(=O)OCC)C(=O)CN1C(=S)S\C(=C\c2ccc3N(C)c4ccccc4Sc3c2)C1=O

CCOC(=O)C(Cc1cn(nn1)-c1ccccc1C(F)(F)F)(Cc1cn(nn1)-c1ccccc1C(F)(F)F)NC(C)=O

COc1ccccc1CN(C)CCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCN(C)Cc1ccccc1OC

Oc1cc(C(=O)NCCCCN2CCOc3ccccc3C2)c(O)cc1C(=O)NCCCCN1CCOc2ccccc2C1

CN(CCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCN(C)Cc1ccccc1)Cc1ccccc1

CCN(CCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCN(CC)Cc1ccccc1)Cc1ccccc1

CN(CCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCN(C)Cc1ccccc1)Cc1ccccc1

COc1ccccc1CN(C)CCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCN(C)Cc1ccccc1OC

CCN(CCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC

CCN(CCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCN(CC)Cc1ccc(cc1)N(C)C)Cc1ccc(cc1)N(C)C

CN(CCCCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCCCN(C)Cc1ccccc1)Cc1ccccc1

CCN(CCCCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCCCN(CC)Cc1ccccc1)Cc1ccccc1

CCN(CCCCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC

CCN(CCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCN(CC)Cc1ccccc1)Cc1ccccc1

CCN(CCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC

CCN(CCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCN(CC)Cc1ccccc1N(C)C)Cc1ccccc1N(C)C

COc1ccccc1CN(C)CCCCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCCCN(C)Cc1ccccc1OC

CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)nc1

COc1cc2oc(cc(=O)c2c(O)c1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1ccc(O)cc1 |(6.83,-26.65,;6.84,-28.19,;8.17,-28.96,;9.51,-28.2,;10.84,-28.96,;12.17,-28.19,;13.51,-28.97,;13.51,-30.5,;12.18,-31.28,;12.18,-32.82,;10.83,-30.5,;9.51,-31.27,;9.51,-32.81,;8.18,-30.51,;6.85,-31.29,;5.51,-30.52,;5.51,-28.97,;4.18,-31.29,;4.18,-32.83,;2.85,-33.61,;5.53,-33.59,;6.86,-32.82,;8.19,-33.58,;8.2,-35.11,;6.87,-35.89,;5.53,-35.13,;4.2,-35.9,;9.54,-35.86,;9.55,-37.4,;10.89,-38.16,;12.22,-37.38,;13.56,-38.14,;12.2,-35.83,;10.86,-35.08,;14.84,-28.2,;14.84,-26.66,;16.18,-25.89,;17.51,-26.65,;18.84,-25.88,;17.51,-28.19,;16.17,-28.97,)|

COc1ccc(cc1-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.11,3.19,;1.77,3.96,;.44,3.18,;-.9,3.95,;-2.23,3.17,;-2.22,1.64,;-.88,.87,;.45,1.64,;1.63,-.31,;.31,-1.08,;-1.02,-.31,;-2.35,-1.08,;.31,-2.62,;1.63,-3.39,;1.63,-4.93,;2.97,-2.62,;2.97,-1.07,;4.3,-.3,;5.64,-1.08,;5.64,-2.62,;4.3,-3.39,;4.3,-4.93,;6.98,-.31,;8.3,-1.08,;9.64,-.32,;9.64,1.22,;10.97,1.99,;8.3,1.99,;6.98,1.22,;-3.55,.87,;-3.54,-.68,;-4.87,-1.45,;-4.87,-2.99,;-6.21,-.69,;-6.22,.85,;-7.56,1.62,;-8.88,.85,;-10.21,1.62,;-8.88,-.7,;-7.55,-1.47,;-7.56,-3,;-4.89,1.64,)|

COc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(=O)c4c(O)cc(O)cc4o3)c(O)cc2o1

Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1

COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3c(OC)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(45.2,-51.19,;43.87,-50.42,;42.53,-51.19,;42.53,-52.73,;41.19,-53.5,;39.86,-52.72,;39.86,-51.18,;41.19,-50.41,;38.53,-53.48,;38.52,-55.01,;37.2,-55.77,;37.19,-57.31,;35.88,-55.01,;34.55,-55.79,;34.56,-57.34,;33.21,-55.02,;33.21,-53.48,;31.88,-52.71,;30.54,-53.48,;34.55,-52.71,;34.55,-51.18,;35.89,-50.4,;37.22,-51.17,;38.56,-50.4,;35.88,-48.85,;34.55,-48.09,;34.54,-46.55,;33.22,-48.86,;33.21,-50.4,;31.88,-51.17,;30.54,-50.39,;30.55,-48.84,;31.89,-48.08,;31.9,-46.54,;29.2,-51.15,;27.88,-50.37,;26.54,-51.13,;26.53,-52.68,;25.19,-53.44,;27.87,-53.45,;29.2,-52.69,;35.88,-53.48,;37.2,-52.71,)|

COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(7.27,-53.2,;8.61,-52.43,;9.94,-53.2,;9.94,-54.74,;11.28,-55.51,;11.29,-57.05,;12.61,-54.73,;12.61,-53.2,;13.93,-52.43,;15.26,-53.2,;15.25,-54.73,;13.93,-55.49,;13.92,-57.03,;16.59,-52.44,;17.92,-53.21,;19.26,-52.45,;19.26,-50.91,;20.6,-50.14,;17.92,-50.13,;16.59,-50.9,;11.28,-52.43,;11.28,-50.89,;12.62,-50.12,;13.95,-50.89,;15.29,-50.12,;12.61,-48.57,;11.28,-47.81,;11.27,-46.26,;9.95,-48.58,;9.94,-50.12,;8.61,-50.89,;7.27,-50.11,;7.28,-48.56,;8.62,-47.8,;8.63,-46.26,;5.93,-50.87,;4.61,-50.09,;3.27,-50.85,;3.26,-52.39,;1.92,-53.16,;4.6,-53.17,;5.93,-52.41,)|

COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3c(OC)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)c2o1 |(83.85,-40.12,;83.83,-38.58,;82.49,-37.82,;81.16,-38.6,;79.82,-37.84,;79.81,-36.3,;81.13,-35.52,;82.47,-36.27,;78.47,-35.54,;77.14,-36.33,;75.81,-35.56,;74.47,-36.34,;75.8,-34.03,;74.46,-33.27,;73.12,-34.05,;74.45,-31.73,;75.78,-30.95,;75.78,-29.41,;74.44,-28.64,;77.12,-31.72,;78.45,-30.95,;78.44,-29.4,;77.11,-28.63,;77.11,-27.09,;79.78,-28.63,;81.11,-29.4,;82.44,-28.63,;83.78,-29.4,;83.78,-30.94,;82.45,-31.71,;82.45,-33.25,;81.11,-30.94,;79.78,-31.71,;79.78,-33.25,;85.11,-28.63,;85.11,-27.09,;86.45,-26.32,;87.78,-27.09,;89.11,-26.31,;87.78,-28.63,;86.44,-29.4,;77.13,-33.26,;78.46,-34.01,)|

COc1cc2oc(cc(=O)c2c(O)c1-c1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1)-c1ccc(O)cc1 |(4,2.78,;4,1.54,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.67,-.77,;4,-1.54,;5.34,-.77,;6.67,-1.54,;6.68,-3.08,;5.34,-3.85,;4.01,-3.08,;2.94,-3.7,;8.01,-.76,;9.34,-1.53,;10.68,-.75,;11.76,-1.36,;10.68,.79,;12.02,1.56,;13.08,.95,;12.01,3.1,;10.68,3.87,;10.68,5.11,;9.35,3.1,;9.35,1.56,;8.02,.79,;-4.02,1.55,;-5.36,.78,;-6.69,1.56,;-6.68,3.11,;-7.74,3.73,;-5.34,3.87,;-4.01,3.09,)|

COc1ccc(cc1-c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 |(4.11,6.46,;4.1,4.92,;2.77,4.15,;1.43,4.92,;.1,4.16,;.1,2.62,;1.43,1.85,;2.77,2.61,;4.09,1.84,;4.09,.3,;2.75,-.46,;5.42,-.47,;6.75,.29,;8.08,-.49,;9.43,.28,;9.44,1.83,;8.09,2.62,;8.1,4.16,;6.75,1.84,;5.42,2.61,;5.44,4.15,;10.76,-.5,;10.74,-2.04,;12.07,-2.81,;13.41,-2.05,;14.74,-2.83,;13.41,-.5,;12.09,.26,;-1.23,1.86,;-1.23,.31,;-2.58,-.46,;-2.59,-2,;-3.92,.31,;-5.25,-.46,;-5.25,-2,;-6.58,.31,;-6.58,1.86,;-7.91,2.63,;-5.25,2.63,;-3.92,1.86,;-2.58,2.64,)|

COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(25.11,-22.48,;26.42,-23.29,;26.38,-24.83,;27.68,-25.64,;27.63,-27.18,;26.27,-27.9,;24.97,-27.1,;25.01,-25.56,;26.22,-29.44,;27.54,-30.25,;27.49,-31.81,;28.8,-32.62,;26.13,-32.54,;26.08,-34.07,;27.39,-34.88,;24.72,-34.8,;23.41,-33.99,;22.06,-34.72,;20.75,-33.91,;23.45,-32.45,;22.12,-31.68,;20.79,-32.44,;19.46,-31.66,;19.46,-30.13,;20.79,-29.36,;22.13,-30.14,;23.46,-29.37,;23.46,-27.83,;18.13,-32.43,;18.12,-33.98,;16.78,-34.75,;16.77,-36.29,;15.44,-33.98,;15.44,-32.42,;14.11,-31.66,;12.78,-32.43,;11.44,-31.66,;11.44,-30.12,;12.78,-33.98,;14.11,-34.75,;14.11,-36.28,;16.78,-31.65,;24.8,-31.72,;24.85,-30.17,)|

COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(10.61,-33.01,;9.27,-32.25,;7.94,-33.02,;7.94,-34.56,;6.61,-35.34,;5.28,-34.57,;5.27,-33.03,;6.6,-32.26,;3.95,-35.34,;3.95,-36.87,;2.63,-37.63,;2.63,-39.17,;1.31,-36.87,;-.03,-37.66,;-.03,-39.2,;-1.36,-36.89,;-1.36,-35.35,;-2.69,-34.58,;-.02,-34.58,;-.02,-33.04,;-1.36,-32.27,;-1.35,-30.73,;-.03,-29.96,;1.31,-30.73,;1.31,-32.27,;2.65,-33.04,;3.98,-32.27,;-2.68,-29.97,;-2.68,-28.42,;-4.03,-27.64,;-4.03,-26.1,;-5.36,-28.42,;-5.36,-29.97,;-6.7,-30.74,;-8.03,-29.97,;-9.37,-30.74,;-10.7,-29.97,;-8.03,-28.42,;-6.7,-27.64,;-6.7,-26.1,;-4.02,-30.74,;1.3,-35.35,;2.62,-34.57,)|

COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(6.65,-6.92,;5.32,-7.68,;5.32,-9.22,;6.66,-9.99,;6.66,-11.53,;5.32,-12.3,;3.99,-11.54,;3.99,-10,;5.32,-13.84,;6.66,-14.6,;6.66,-16.14,;7.99,-16.91,;5.33,-16.91,;5.34,-18.45,;6.68,-19.22,;4.01,-19.23,;2.67,-18.46,;1.34,-19.23,;1.34,-20.77,;2.68,-16.92,;1.34,-16.15,;.01,-16.92,;-1.33,-16.15,;-1.33,-14.62,;-.01,-13.84,;1.34,-14.61,;2.67,-13.83,;-2.66,-16.92,;-2.66,-18.48,;-4,-19.26,;-4,-20.8,;-5.34,-18.49,;-5.35,-16.94,;-6.68,-16.17,;-8.01,-16.94,;-9.34,-16.17,;-8.01,-18.49,;-6.68,-19.26,;-6.68,-20.8,;-4.01,-16.15,;4,-16.15,;3.98,-14.61,)|

COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-8.64,-2.46,;-8.63,-4,;-7.29,-4.77,;-5.96,-3.99,;-4.63,-4.75,;-3.3,-3.96,;-1.95,-4.73,;-1.94,-6.28,;-3.28,-7.06,;-3.27,-8.6,;-4.61,-6.3,;-5.94,-7.06,;-5.93,-8.6,;-7.27,-6.31,;-.63,-3.95,;-.64,-2.41,;.68,-1.63,;2.03,-2.39,;3.35,-1.62,;3.34,-.08,;2.04,-3.94,;.71,-4.71,;3.37,-4.69,;3.38,-6.24,;2.05,-7.01,;4.72,-7,;6.05,-6.22,;7.39,-6.98,;6.04,-4.68,;4.7,-3.92,;4.68,-2.38,;6.02,-1.6,;7.36,-2.36,;7.36,-3.9,;8.7,-4.67,;6.02,-.06,;7.35,.72,;7.34,2.26,;6,3.02,;5.99,4.56,;4.67,2.23,;4.68,.7,)|

COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(9.76,-25.42,;8.22,-25.42,;7.45,-24.09,;8.22,-22.76,;7.45,-21.42,;5.91,-21.42,;5.14,-22.76,;5.91,-24.09,;5.14,-20.09,;5.91,-18.76,;5.14,-17.43,;5.91,-16.09,;3.6,-17.43,;2.83,-16.09,;3.6,-14.76,;1.29,-16.09,;.52,-17.43,;-1.02,-17.43,;1.29,-18.76,;.52,-20.09,;-1.02,-20.09,;-1.79,-21.42,;-1.02,-22.76,;.52,-22.76,;1.29,-21.42,;2.83,-21.42,;-3.33,-21.42,;-4.1,-20.09,;-5.64,-20.09,;-6.41,-18.76,;-6.41,-21.42,;-5.64,-22.76,;-6.41,-24.09,;-7.95,-24.09,;-8.72,-25.42,;-8.72,-22.76,;-7.95,-21.42,;-8.72,-20.09,;-4.1,-22.76,;2.83,-18.76,;3.6,-20.09,)|

COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(22.48,-45.72,;23.81,-44.95,;25.14,-45.72,;25.14,-47.26,;26.47,-48.03,;26.47,-49.57,;27.81,-47.26,;27.81,-45.71,;29.14,-44.93,;30.48,-45.71,;30.48,-47.26,;29.14,-48.03,;29.14,-49.57,;31.82,-44.95,;33.14,-45.72,;34.48,-44.95,;34.48,-43.41,;35.82,-42.64,;33.14,-42.64,;31.81,-43.41,;26.47,-44.95,;25.28,-42.99,;23.95,-43.76,;22.62,-42.99,;22.61,-41.46,;23.93,-40.68,;25.28,-41.45,;26.61,-40.67,;21.29,-43.77,;21.29,-45.31,;19.96,-46.09,;19.96,-47.63,;18.62,-45.33,;18.61,-43.78,;17.27,-43.02,;15.95,-43.79,;14.62,-43.02,;15.95,-45.33,;17.28,-46.1,;17.28,-47.64,;19.94,-42.99,)|

Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|

COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3c(OC)cc(O)c4c3oc(cc4=O)-c3ccc(OC)cc3)c2o1 |(-8,5.12,;-8.01,3.89,;-6.68,3.1,;-6.69,1.56,;-5.36,.78,;-4.02,1.54,;-4.01,3.09,;-5.34,3.87,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;2.66,.77,;4,1.54,;5.07,.92,;1.33,1.54,;1.33,3.08,;-0,3.85,;-1.34,3.08,;-2.41,3.69,;-0,5.39,;1.33,6.16,;1.33,7.39,;2.66,5.39,;2.66,3.85,;4,3.09,;5.35,3.86,;5.34,5.4,;3.99,6.16,;3.99,7.4,;6.68,3.08,;8.02,3.85,;9.35,3.07,;9.34,1.53,;10.67,.75,;10.67,-.48,;8,.77,;6.67,1.54,;,.77,;-1.33,1.54,)|

COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(OC)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)c2o1 |(61.85,-38.01,;60.52,-38.79,;59.18,-38.04,;57.85,-38.82,;56.51,-38.06,;56.5,-36.51,;57.82,-35.73,;59.16,-36.49,;55.16,-35.76,;53.83,-36.54,;52.5,-35.78,;51.17,-36.56,;52.49,-34.25,;51.15,-33.49,;49.82,-34.27,;51.14,-31.94,;52.48,-31.17,;52.47,-29.63,;53.81,-31.94,;55.14,-31.16,;55.14,-29.62,;53.8,-28.85,;53.8,-27.31,;56.47,-28.85,;57.8,-29.62,;59.14,-28.85,;60.47,-29.62,;60.47,-31.16,;59.14,-31.93,;59.15,-33.47,;57.8,-31.16,;56.47,-31.93,;56.48,-33.47,;61.8,-28.85,;61.8,-27.31,;63.14,-26.54,;64.47,-27.31,;65.81,-26.53,;64.48,-28.84,;63.14,-29.62,;53.82,-33.48,;55.15,-34.23,)|

COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(32.66,-38.98,;32.67,-40.52,;31.34,-41.3,;31.35,-42.84,;30.02,-43.62,;28.68,-42.85,;28.67,-41.32,;29.99,-40.54,;27.35,-43.63,;27.36,-45.16,;26.03,-45.93,;26.02,-47.47,;24.7,-45.18,;23.36,-45.96,;23.35,-47.5,;22.03,-45.19,;22.02,-43.65,;20.69,-42.88,;20.69,-41.34,;23.36,-42.88,;23.36,-41.34,;22.02,-40.58,;22.02,-39.03,;23.35,-38.26,;24.68,-39.02,;24.69,-40.57,;26.03,-41.34,;20.69,-38.27,;19.34,-39.05,;17.99,-38.28,;16.66,-39.04,;18,-36.73,;19.34,-35.95,;19.34,-34.4,;18,-33.64,;18,-32.1,;16.66,-31.33,;16.67,-34.41,;16.67,-35.96,;15.33,-36.72,;20.68,-36.73,;24.69,-43.64,;26.01,-42.86,)|

COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(43.19,-4.38,;41.85,-3.62,;40.52,-4.4,;40.52,-5.94,;39.19,-6.72,;37.85,-5.95,;37.85,-4.41,;39.17,-3.64,;36.53,-6.73,;36.53,-8.26,;35.21,-9.03,;35.2,-10.57,;33.88,-8.28,;32.54,-9.06,;32.53,-10.6,;31.21,-8.29,;31.2,-6.75,;29.87,-5.98,;32.54,-5.98,;32.54,-4.44,;31.2,-3.68,;31.2,-2.13,;32.53,-1.36,;33.86,-2.12,;33.87,-3.67,;35.21,-4.44,;36.54,-3.66,;29.86,-1.37,;28.52,-2.15,;27.17,-1.37,;25.84,-2.14,;27.18,.17,;28.52,.95,;28.52,2.5,;27.18,3.26,;27.18,4.8,;25.85,2.49,;25.85,.95,;24.51,.18,;29.86,.17,;33.87,-6.74,;35.19,-5.96,)|

COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(O)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-7.9,-15.38,;-6.36,-15.38,;-5.59,-14.05,;-4.05,-14.05,;-3.28,-12.71,;-1.74,-12.71,;-.97,-11.38,;-1.74,-10.05,;-3.28,-10.05,;-4.05,-8.71,;-4.05,-11.38,;-5.59,-11.38,;-6.36,-10.05,;-6.36,-12.71,;.57,-11.38,;1.34,-12.71,;2.88,-12.71,;3.65,-11.38,;5.19,-11.38,;2.88,-10.05,;1.34,-10.05,;3.65,-8.71,;2.88,-7.37,;1.34,-7.37,;3.65,-6.05,;5.19,-6.05,;5.96,-4.71,;5.96,-7.37,;5.19,-8.71,;5.96,-10.05,;7.5,-10.05,;8.28,-8.71,;7.5,-7.37,;8.28,-6.05,;8.28,-11.38,;9.82,-11.38,;10.58,-12.71,;9.82,-14.05,;10.58,-15.38,;8.28,-14.05,;7.5,-12.71,)|

COc1cc2oc(cc(=O)c2c(O)c1Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1)-c1ccc(O)cc1

COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1-c1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 |(26.34,-28.74,;27.68,-29.5,;27.68,-31.05,;26.35,-31.82,;26.35,-33.36,;25.02,-34.14,;27.7,-34.12,;29.03,-33.35,;30.36,-34.11,;30.37,-35.64,;29.04,-36.42,;27.71,-35.66,;26.37,-36.43,;31.71,-36.39,;31.72,-37.93,;33.06,-38.69,;34.39,-37.91,;35.73,-38.67,;34.37,-36.36,;33.03,-35.61,;29.02,-31.82,;30.35,-31.04,;30.34,-29.49,;29.01,-28.72,;29,-27.18,;31.68,-28.72,;33.01,-29.49,;34.34,-28.72,;35.68,-29.5,;35.68,-31.03,;34.35,-31.81,;34.35,-33.35,;33,-31.03,;31.68,-31.8,;31.68,-33.34,;37.01,-28.73,;37.01,-27.18,;38.35,-26.42,;39.68,-27.18,;41.01,-26.41,;39.68,-28.72,;38.34,-29.5,)|

COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(12.24,-14.8,;12.24,-16.34,;13.58,-17.11,;14.91,-16.34,;16.24,-17.1,;17.58,-16.32,;18.93,-17.11,;18.92,-18.66,;17.58,-19.43,;17.57,-20.97,;16.24,-18.66,;14.91,-19.42,;14.91,-20.96,;13.58,-18.65,;20.26,-16.34,;20.26,-14.81,;21.59,-14.04,;22.93,-14.82,;24.26,-14.05,;24.26,-12.51,;22.92,-16.36,;21.59,-17.12,;24.25,-17.13,;24.21,-18.66,;22.86,-19.39,;21.55,-18.59,;25.52,-19.48,;26.88,-18.75,;28.19,-19.56,;26.93,-17.21,;25.61,-16.4,;25.65,-14.85,;27.02,-14.11,;28.34,-14.93,;28.29,-16.48,;29.6,-17.3,;27.07,-12.57,;28.43,-11.86,;28.48,-10.32,;27.18,-9.5,;27.22,-7.97,;25.81,-10.24,;25.77,-11.77,)|

COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(31.87,-8.18,;30.33,-8.18,;29.56,-6.85,;30.33,-5.52,;29.56,-4.18,;28.02,-4.18,;27.25,-5.52,;28.02,-6.85,;27.25,-2.85,;28.02,-1.51,;27.25,-.18,;28.02,1.15,;25.71,-.18,;24.94,1.15,;25.71,2.49,;23.4,1.15,;22.63,-.18,;21.09,-.18,;20.32,1.15,;23.4,-1.51,;22.63,-2.85,;21.09,-2.85,;20.32,-4.18,;21.09,-5.52,;22.63,-5.52,;23.4,-4.18,;24.94,-4.18,;25.71,-5.52,;18.78,-4.18,;18.01,-2.85,;16.47,-2.85,;15.69,-1.51,;15.69,-4.18,;16.47,-5.52,;15.69,-6.85,;14.15,-6.85,;13.39,-8.18,;13.39,-5.52,;14.15,-4.18,;13.39,-2.85,;18.01,-5.52,;24.94,-1.51,;25.71,-2.85,)|

COc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(=O)c4c(O)cc(O)cc4o3)c(OC)cc2o1

COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.27,-31.58,;3.27,-33.11,;1.94,-33.89,;.61,-33.11,;-.73,-33.89,;-.73,-35.42,;.61,-36.2,;1.94,-35.42,;3.27,-36.2,;4.6,-35.42,;4.6,-33.89,;5.93,-36.2,;5.93,-37.73,;7.27,-38.51,;4.6,-38.51,;3.27,-37.73,;1.94,-38.51,;1.94,-40.04,;3.27,-40.81,;4.6,-40.04,;5.93,-40.81,;.61,-40.81,;.61,-42.35,;-.73,-43.12,;-2.06,-42.35,;-3.39,-43.12,;-2.06,-40.81,;-.73,-40.04,;-2.06,-36.2,;-2.06,-37.73,;-3.39,-38.51,;-3.39,-40.04,;-4.73,-37.73,;-4.73,-36.2,;-6.06,-35.42,;-7.39,-36.2,;-8.72,-35.42,;-7.39,-37.73,;-6.06,-38.51,;-6.06,-40.04,;-3.39,-35.42,)|

[O-][N+](=O)c1cccc(c1)C1C=C(Nc2nncn12)c1cccc2ccccc12 |c:11|

Fc1ccc(cc1)C1C=C(Nc2nncn12)c1cccc2ccccc12 |c:9|

O=C(CN1CCN(CC(=O)Nc2n[nH]c3ncccc23)CC1)Nc1n[nH]c2ncccc12

CCOC(=O)c1cnc2ccccc2c1N1CCN(CC(=O)Nc2n[nH]c3ncccc23)CC1

c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O

CN(C)c1ccc(cn1)-c1nc2cc([125I])ccc2o1

CC1(C)[C@H]2CCC(C)(C2)[C@H]1NS(=O)(=O)c1ccc(Br)cc1

CC12CC[C@@H](C1)C(C)(C)[C@@H]2NS(=O)(=O)c1cccs1

CC1(C)[C@H]2CCC(C)(C2)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1

CC1(C)C2CCC(C)(C2)C1NS(=O)(=O)c1ccc(F)cc1

CC1(C)[C@H]2CCC(C)(C2)[C@H]1NS(=O)(=O)c1ccc(F)cc1

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2cc(-[#6])cc(-[#8])c2-[#6]=[#6]1 |c:23|

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6])cc(-[#8])c(-[#8])c1-[#8]

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#8]-c2cc(-[#6])c(-[#6](-[#8])=O)c(-[#8])c2-[#6]=[#6]1 |r,c:26|

CCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CC\C=C(/C)CCCCCCCCC |r|

[#6]-[#8]-[#6](=O)-c1c(-[#6])cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]

[#6]-[#8]-c1c(-[#8])c(-[#8])cc(-[#6])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#6])c(-[#6](-[#8])=O)c1-[#8]

COc1c(O)c(O)c(c(C)c1C\C=C(/C)CC\C=C(/C)CCC=C(C)C)-c1c(C)c(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(OC)c(O)c1O |(8.73,-33.08,;10.06,-32.31,;10.06,-30.77,;8.73,-30,;7.4,-30.76,;8.73,-28.45,;7.4,-27.68,;10.06,-27.68,;11.4,-28.44,;12.73,-27.67,;11.4,-29.99,;12.74,-30.76,;14.07,-29.99,;15.4,-30.76,;15.41,-32.3,;16.74,-29.99,;18.07,-30.75,;19.4,-29.98,;20.74,-30.75,;20.74,-32.29,;22.07,-29.98,;23.41,-30.75,;24.74,-29.97,;26.07,-30.74,;27.41,-29.97,;26.07,-32.28,;10.05,-26.15,;11.38,-25.37,;12.72,-26.14,;11.38,-23.83,;12.71,-23.06,;14.05,-23.83,;15.38,-23.05,;15.38,-21.51,;16.72,-23.82,;18.05,-23.05,;19.38,-23.81,;20.71,-23.04,;20.71,-21.5,;22.05,-23.81,;23.38,-23.03,;24.72,-23.8,;26.05,-23.03,;27.38,-23.79,;26.05,-21.49,;10.04,-23.07,;10.04,-21.53,;11.37,-20.75,;8.71,-23.85,;7.37,-23.09,;8.72,-25.38,;7.39,-26.16,)|

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#6])cc1-[#8]

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#6])c(-[#6](-[#8])=O)c1-[#8]

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6])cc(-[#8])cc1-[#8]

CN(C)c1ccc(cc1)-c1nc2ccc(I)cc2s1

CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(Br)cc2s1

CN(C)c1ccc(cc1)-c1nc2ccc(Br)cc2s1

COc1ccc(\C=C\c2ccc(\C=C\c3ccc(OC)c(c3)C(O)=O)c(I)c2)cc1C(O)=O

CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(I)cc2s1

OC(=O)c1cc(\C=C\c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O

OC(=O)c1cc(\C=C/c2ccc(\C=C/c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O

OC(=O)c1cc(\C=C/c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O

OC(=O)c1cc(\C=C\c2ccc(\C=C/c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O

c1ccc(c(c1)C(=O)O)O

Oc1cc(CN(Cc2ccccn2)Cc2ccccn2)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1

ONC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1

c1ccc(cc1)NC(=O)CCCCCCC(=O)NO

ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(F)cc23)cc1

ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1

ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(OC(F)(F)F)cc23)cc1

ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(OCc4ccccc4)cc23)cc1

COc1cc2nc3ccccc3c(Nc3ccc(cc3)C(=O)NO)c2c(OC)c1OC

COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(cc3)C(=O)NO)c2n1

ONC(=O)c1ccc(Nc2c3CCCCc3nc3ccccc23)cc1

ONC(=O)c1ccc(Nc2ccnc3ccccc23)cc1

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C

C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C |c:9,30|

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C

O=C(CCN1CCC2C(C1)Nc1ccccc21)Oc1ccc(\C=C2/CCn3c2nc2ccccc2c3=O)cc1

O=C(CCCCN1CCC2C(C1)Nc1ccccc21)Oc1ccc(\C=C2/CCn3c2nc2ccccc2c3=O)cc1

O=C(CCCCCN1CCC2C(C1)Nc1ccccc21)Oc1ccc(\C=C2/CCn3c2nc2ccccc2c3=O)cc1

O=C(CCCCCN1CCC2C(C1)Nc1ccccc21)Nc1ccc(\C=C2/CCn3c2nc2ccccc2c3=O)cc1

Oc1coc(\C=C\c2nc3ccccc3o2)cc1=O

Oc1ccc2nc(\C=C\c3cc(=O)c(O)co3)sc2c1

CN(CCCn1ccc(=O)c(O)c1C)CC#C

CN(C)c1ccc(cc1)-c1nc2ccccn2c1I

CNc1ccc(cc1)-c1cn2ccccc2n1

CN(C)c1ccc(cc1)-c1cn2cc(C)ccc2n1

CNc1ccc(cc1)-c1cn2cc(C)ccc2n1

Cc1ccc2nc(cn2c1)-c1ccc(Br)cc1

CN(C)c1ccc2nc(cn2c1)-c1ccc(Br)cc1

CN(C)c1ccc(cc1)-c1cn2ccccc2n1

CN(C)c1ccc(cc1)-c1nc2ccc(I)cn2c1I

Nc1ccc(cc1)-c1nc2ccc(Br)cc2s1

COc1ccc2nc(sc2c1)-c1ccc(cc1)N(C)C

CN(C)c1ccc(cc1)-c1nc2ccc(cc2s1)C#N

Nc1ccc(cc1)-c1nc2ccc(O)cc2s1

CNc1ccc(cc1)-c1nc2ccc(OC)cc2s1

CNc1ccc(cc1)-c1nc2ccc(cc2s1)C#N

Cc1ccc2nc(sc2c1)-c1ccc(N)cc1

Nc1ccc(cc1)-c1nc2ccc(cc2s1)C#N

CN(C)c1ccc(cc1)-c1nc2ccc(C)cc2s1

CN(C)c1ccc(cc1)-c1nc2ccc(O)cc2s1

CN(C)c1ccc(cc1)-c1nc2ccccc2s1

Nc1ccc(cc1)-c1nc2ccccc2s1

CNc1ccc(cc1)-c1nc2ccc(Br)cc2s1

O=C(Nc1ccc2nc3CCCn3c(=O)c2c1)c1cc2ccccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc2nc3CCCn3c(=O)c2c1

Fc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc2nc3CCCn3c(=O)c2c1

Clc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc2nc3CCCn3c(=O)c2c1

O=C(Nc1ccc2nc3CCCn3c(=O)c2c1)c1cc2ccccc2o1

O=C(Nc1ccc2nc3CCCn3c(=O)c2c1)c1cc2ccccc2s1

O=C(Cc1cc2ccccc2[nH]1)Nc1ccc2nc3CCCn3c(=O)c2c1

O=C(Nc1ccc2nc3CCCn3c(=O)c2c1)\C=C\c1cc2ccccc2[nH]1

O=C(CCCc1cc2ccccc2[nH]1)Nc1ccc2nc3CCCn3c(=O)c2c1

COc1ccc2[nH]c(cc2c1)C(=O)Nc1cc2c(cc1C)nc1CCCn1c2=O

Cc1cc2nc3CCCn3c(=O)c2cc1NC(=O)c1cc2cc(F)ccc2[nH]1

Cc1cc2nc3CCCn3c(=O)c2cc1NC(=O)c1cc2cc(Cl)ccc2[nH]1

c1cc2c(cc(c(c2nc1)O)I)Cl

COc1cc(\C=C\C(=O)N(C)C)ccc1OCc1ccccc1

CCN(CC)C(=O)\C=C\c1ccc(OCc2ccccc2)c(OC)c1

CCN(CC)C(=O)CCc1ccc(OCc2ccccc2)c(OC)c1

CCN(CC)C(=O)\C=C\c1ccc(O)c(O)c1

CCCN(CCC)C(=O)\C=C\c1ccc(OCc2ccccc2)c(OC)c1

CON(C)C(=O)\C=C\c1ccc(OCc2ccccc2)c(OC)c1

COc1cc(\C=C\C(=O)N2CC(F)(F)C2)ccc1OCc1ccccc1

COc1cc(\C=C\C(=O)N2CCCC2)ccc1OCc1ccccc1

COc1cc(\C=C\C(=O)N2CCCCC2)ccc1OCc1ccccc1

COc1cc(\C=C\CN2CCCCC2)ccc1OCc1ccccc1

COc1cc(ccc1OCc1ccccc1)[C@H]1C[C@@H]1C(=O)N1CCCCC1 |r|

COc1cc(ccc1OCc1ccccc1)[C@H]1C[C@@H]1C(=O)N(C)C |r|

COc1cc(\C=C\C(=O)N2CCOCC2)ccc1OCc1ccccc1

COc1cc(\C=C\C(=O)N2CCC[C@H]2C(=O)N2CCCCC2)ccc1OCc1ccccc1 |r|

COc1cc(\C=C\C(=O)N2CCC[C@H]2C(=O)NCc2ccccc2)ccc1OCc1ccccc1 |r|

COc1cc(\C=C\C(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2)ccc1OCc1ccccc1 |r|

COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)\C=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1 |r|

COc1cc(\C=C\C(=O)N2CCC[C@@H]2C(=O)NCCOc2ccccc2)ccc1OCc1ccccc1 |r|

COc1cc(\C=C\C(=O)N2CCC[C@H]2C(=O)NCCOc2ccccc2)ccc1OCc1ccccc1 |r|

CCN(CC)C(=O)C1CN(C1)C(=O)\C=C\c1ccc(OCc2ccccc2)c(OC)c1

COc1cc(\C=C\C(=O)N2CC(C2)C(=O)N2CC(F)(F)C2)ccc1OCc1ccccc1

COc1cc(\C=C\C(=O)N2CC(C2)C(=O)N2CCCCC2)ccc1OCc1ccccc1

COc1cc(\C=C\C(=O)N2CC(C2)C(=O)N2CCOCC2)ccc1OCc1ccccc1

COc1cc(\C=C\C(=O)N2CC(C2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1

COc1cc(\C=C\C(=O)NCCC(=O)N2CCCCC2)ccc1OCc1ccccc1

COc1cc(\C=C\C(=O)NCCC(=O)NCc2ccccc2)ccc1OCc1ccccc1

COc1cc(\C=C\C(=O)N2CC(C2)C(=O)NCc2ccc(F)cc2)ccc1OCc1ccccc1

COc1ccc(CNC(=O)C2CN(C2)C(=O)\C=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1

COc1cc(\C=C\C(=O)N2CC(C2)C(=O)NCc2ccco2)ccc1OCc1ccccc1

COc1cc(\C=C\C(=O)N2CC(C2)C(=O)NCCOc2ccccc2)ccc1OCc1ccccc1

COc1ccc(CNC(=O)CCNC(=O)\C=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1

COc1cc(\C=C\C(=O)NCCC(=O)NCCOc2ccccc2)ccc1OCc1ccccc1

COc1cc(\C=C\C(=O)Nc2nnn[nH]2)ccc1OCc1ccccc1

COc1cc(ccc1OCc1ccccc1)-c1cncn1CCC(=O)NCCOc1ccccc1

COc1cc(ccc1OCc1ccccc1)-c1cncn1CCC(=O)NCCc1ccccc1

CCN(CC)C(=O)\C=C\c1ccc(O)c(OC)c1

CCN(CC)C(=O)\C=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1

CCCN(CCC)C(=O)\C=C\c1ccc(O)c(OC)c1

CCCN(CCC)C(=O)\C=C\c1ccc(OC)c(OC)c1

Oc1coc(\C=C\c2ccc(OCCCN3CCCC3)cc2)cc1=O

Oc1coc(\C=C\c2ccc(OCCCN3CCCCC3)cc2)cc1=O

Oc1coc(\C=C\c2ccc(OCCCN3CCOCC3)cc2)cc1=O

CN1CCN(CCCOc2ccc(\C=C\c3cc(=O)c(O)co3)cc2)CC1

CCN(CC)CCCOc1ccc(\C=C\c2cc(=O)c(O)co2)cc1

CN(C)CCCOc1ccc(\C=C\c2cc(=O)c(O)co2)cc1

Cc1oc(\C=C\c2ccc(OCCCN3CCCC3)cc2)cc(=O)c1O

Cc1oc(\C=C\c2ccc(OCCCN3CCCCC3)cc2)cc(=O)c1O

Cn1cc(O)c(=O)cc1\C=C\c1ccc(OCCCN2CCCC2)cc1

Cn1cc(O)c(=O)cc1\C=C\c1ccc(OCCCN2CCCCC2)cc1

Cn1cc(O)c(=O)cc1\C=C\c1ccc(OCCCN2CCOCC2)cc1

CN1CCN(CCCOc2ccc(\C=C\c3cc(=O)c(O)cn3C)cc2)CC1

CCN(CC)CCCOc1ccc(\C=C\c2cc(=O)c(O)cn2C)cc1

CN(C)CCCOc1ccc(\C=C\c2cc(=O)c(O)cn2C)cc1

CCn1cc(O)c(=O)cc1\C=C\c1ccc(OCCCN2CCCC2)cc1

CCn1cc(O)c(=O)cc1\C=C\c1ccc(OCCCN2CCCCC2)cc1

CCN(CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1OC

CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1OC

CCN(CCCCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1OC

CCN(CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C

CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C

CCN(CCCCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C

CCN(CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccc(cc1)N(C)C

CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccc(cc1)N(C)C

CCN(CCCCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccc(cc1)N(C)C

CCN(CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1

CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1

CCN(CCCCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1

Cc1ccc(cc1C)-n1cc(nn1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F

CNS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl

CC(O)c1ccc(CNS(=O)(=O)c2cc(C(O)=O)c(NCc3ccco3)cc2Cl)cc1

OC(=O)c1cc(c(Cl)cc1NCc1ccco1)S(=O)(=O)N1CCOCC1

CN(Cc1ccccc1)S(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl

CC(NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl)c1ccccc1

CCNS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl

CN(C)S(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl

CCCCCCNS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl

OC(=O)c1cc(c(Cl)cc1NCc1ccco1)S(=O)(=O)Nc1ccccc1

OC(=O)c1cc(c(Cl)cc1NCc1ccco1)S(=O)(=O)NC1CCCCC1

CNS(=O)(=O)c1cc(C(O)=O)c(NCC2CCCO2)cc1Cl

CNS(=O)(=O)c1cc(CO)c(NCc2ccco2)cc1Cl

CNS(=O)(=O)c1cc(C(=O)OC)c(NCc2ccco2)cc1Cl

CNS(=O)(=O)c1cc(C(N)=O)c(NCc2ccco2)cc1Cl

CNC(=O)c1cc(c(Cl)cc1NCc1ccco1)S(=O)(=O)NC

CNS(=O)(=O)c1cc(C(=O)N(C)C)c(NCc2ccco2)cc1Cl

CNS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2ccco2)cc1Cl

OC(=O)c1ccc(F)cc1NCc1ccco1

OC(=O)c1ccc(Br)cc1NCc1ccco1

OC(c1ccc(F)cc1NCc1ccco1)C(F)(F)F

COc1ccc(C(O)C(F)(F)F)c(NCc2cscn2)c1

Oc1ccccc1CNc1ccc2nc3CCCn3c(=O)c2c1

Oc1c(Br)cccc1CNc1ccc2nc3CCCn3c(=O)c2c1

Oc1cc(Cl)ccc1CNc1ccc2nc3CCCn3c(=O)c2c1

COc1cccc(CNc2ccc3nc4CCCn4c(=O)c3c2)c1O

Oc1ccc(Br)cc1CNc1ccc2nc3CCCn3c(=O)c2c1

Oc1ccc(F)cc1CNc1ccc2nc3CCCn3c(=O)c2c1

COc1ccc(CNc2ccc3nc4CCCn4c(=O)c3c2)c(O)c1

Cc1cc2nc3CCCn3c(=O)c2cc1NCc1ccccc1O

Cc1cc2nc3CCCn3c(=O)c2cc1NCc1cccc(Br)c1O

Cc1cc2nc3CCCn3c(=O)c2cc1NCc1ccc(Cl)cc1O

COc1cccc(CNc2cc3c(cc2C)nc2CCCn2c3=O)c1O

Cc1cc2nc3CCCn3c(=O)c2cc1NCc1cc(Br)ccc1O

Cc1cc2nc3CCCn3c(=O)c2cc1NCc1cc(F)ccc1O

COc1ccc(CNc2cc3c(cc2C)nc2CCCn2c3=O)c(O)c1

[#6]-[#8]-c1c(-[#8])c(-[#8])c(-[#6](-[#8])=O)c(-[#6])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]

COC(=O)c1c(C)cc(O)c(C\C=C(/C)CCCC2=C\C(OC2=O)=C/C(C)(C)O)c1O |t:18|

C\C(CCCC1=C\C(OC1=O)=C/C(C)(C)O)=C/Cc1c(O)cc(C)c(C(O)=O)c1O |t:5|

C\C(CC[C@H](O)C(C)(C)O)=C/CC\C(C)=C\Cc1c(O)cc(C)c(C(O)=O)c1O |r|

[#6]-[#8]-[#6](=O)-c1c(-[#6])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c(-[#8])c1-[#8]

C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|

O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNc3c4CCCCc4nc4ccccc34)cccc12

CCN(C)C(=O)Oc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1

C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|

C[C@]1(Cn2cc(nc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|

C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|

C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10|

COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2c(cnc2C(N)=N1)C#N |r,c:30|

C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|

C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|

C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:10|

Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:28|

C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:10|

C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:10|

COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:30|

Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)F)C#N

Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26|

Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:7|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C#N)ccc1F |r,c:7|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F |r,c:7|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:7|

C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C(F)(F)F)ccc1F |r,c:7|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F |r,c:7|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F |r,c:7|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCCF)nc2N)ccc1F |r,c:7|

COCCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(N)n1 |r,c:27|

C[C@]1(CCSC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br

C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br

CC1(COCC(N)=N1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |c:6|

C[C@]1(CO[C@@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 |r,c:7|

C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2cccc(c2)NC(=O)c3ccc(cn3)Br

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F |r,c:7|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cn2)C#N)ccc1F |r,c:7|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7|

Cc1nc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:7|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2N)C#N)ccc1F |r,c:7|

COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1 |r,c:24|

Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:30|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F |r,c:7|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:7|

C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,c:7|

O=C1N[C@@H](Cc2ccc(OCCCN3CCCCC3)cc2)C(=O)N[C@H]1Cc1ccccc1 |r|

O=C1CN(Cc2ccc(OCCCN3CCCCC3)cc2)C(=O)CN1

O=C1CN(Cc2ccc(OCCCN3CCCCC3)cc2)CCN1Cc1ccccc1

CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1

CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1

CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1

CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|

CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(OC)cc1

CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1

CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1

CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccccc1

CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccccc1

C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r|

CC(C)(NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O |r|

COc1cc(C=Cc2nc3cc(Cl)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4|

COc1cc2c(Nc3ccc(cc3)C(=O)\C=C\c3nc(C)c(C)nc3C)ncnc2c(OC)c1OC

COc1nc(ccc1-n1cnc(C)c1)-c1cc(C)c(N[C@@H](C)c2cc(F)cc(F)c2)nn1 |r|

COc1nc(ccc1-n1cnc(C)c1)-c1cc(C)c(N[C@@H](C)c2cc(F)c(F)c(F)c2)nn1 |r|

COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16|

Clc1ccc(\C=N\c2ccc3cn[nH]c3c2)cc1Cl

O=c1cc(\N=N\N=P(CCP(=N\N=N\c2cc(=O)oc3ccccc23)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2o1

Cc1nc(C)c(nc1C)C(=O)OCCCOC(=O)c1ccccn1

O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2nc3CCCn3c(=O)c2c1

CCOC(=O)C(Cc1cn(nn1)-c1ccccc1)(Cc1cn(nn1)-c1ccccc1)NC(C)=O

c1c(cc(c(c1O)O)O)C(=O)O

OC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(O)=O |(2.01,.76,;2.01,-.78,;3.34,-1.55,;.67,-1.55,;.68,-3.09,;-.66,-3.86,;-.66,-5.4,;-2,-3.1,;-3.33,-3.87,;-1.99,-1.55,;-3.33,-.79,;-.66,-.78,;-.66,.76,;-2.01,1.52,;-3.34,.75,;-2.01,3.08,;-3.34,3.85,;-.67,3.85,;-.67,5.4,;.67,3.08,;.67,1.53,;2.16,1.93,;3.24,.84,;2.55,3.42,)|

O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r|

Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]3[C@@H]2OC(=O)C2=CC(=O)[C@]4(O)Oc5c(O)c(O)cc(c5[C@H]2C4(O)O)C(=O)O[C@@H]13 |r,t:49,THB:43:45:61:52.59.51,48:47:61:52.59.51|

CCCSC(=O)\C=C\c1ccc(O)c(O)c1

CCCSC(=O)\C=C\c1cc(O)ccc1O

OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(OC2CCC(CC2)C(F)(F)F)cc1 |(5.41,-14.61,;4.08,-15.38,;4.08,-16.92,;2.74,-14.63,;1.31,-14.05,;2.4,-12.96,;1.41,-15.41,;.08,-14.64,;-1.25,-15.41,;-1.25,-16.95,;.08,-17.72,;.08,-19.26,;1.41,-16.95,;-2.59,-17.72,;-2.58,-19.26,;-3.91,-20.03,;-5.25,-19.26,;-6.6,-20.03,;-7.93,-19.26,;-7.93,-17.72,;-9.26,-16.95,;-10.59,-17.72,;-10.59,-19.26,;-9.26,-20.03,;-11.92,-16.94,;-13.12,-16.22,;-12.16,-15.34,;-13.42,-17.51,;-5.25,-17.72,;-3.92,-16.95,)|

OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1

OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F

CC(c1nnn[nH]1)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F

OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1

OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(O)cc1

CC(C(O)=O)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1

CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F

CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O

C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1

OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(OC2CCOCC2)cc1

CC(C(N)=O)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1

CC1(C)CCC(CC1)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O

CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(OC2CCCCC2)cc1

CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1

CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1

CC(C(O)=O)c1ccc(-c2csc3ccccc23)c(F)c1

CC(C(=O)OC(C)(C)C)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1

CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1

OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1

COc1ccc(cc1)-c1ccc(cc1F)C(C)C(O)=O

CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1

OC(=O)C1(CC1)c1ccc(-c2csc3ccccc23)c(F)c1

CC(C(O)=O)c1ccc(c(F)c1)-c1ccc2OCOc2c1

CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F

CN(C)c1ccc(cc1)-c1ccc2cc(-c3nc4ccccc4s3)c(=N)oc2c1

CC[n+]1c(\C=C\C=C\c2ccc(cc2)N(C)C)sc2ccccc12

C[N+]1=C(\C=C\c2ccc(cc2)N2CCCC2)C(C)(C)c2ccccc12 |c:1|

CCCC[N+]1=C(\C=C\c2ccc(cc2)N(CC)CC)C(C)(C)c2ccccc12 |c:4|

CN(C)c1ccc(\C=C\C2=CC(\C=C\c3ccc(cc3)N(C)C)=[O+][B-](F)(F)O2)cc1 |c:23,t:9|

COCCOCCn1c2ccccc2c2cc(C=Cc3cc[n+](C)cc3)ccc12

COCCOCCn1c2ccccc2c2cc(C=Cc3cc[n+](CCO)cc3)ccc12

COCCOCCn1c2ccccc2c2cc(C=Cc3cc[n+](C)c4ccccc34)ccc12

COCCOCCn1c2ccccc2c2cc(C=Cc3cc[n+](CCO)c4ccccc34)ccc12

CCO[n+]1ccc(C=Cc2ccc(cc2)N(C)C)c2ccccc12

CCCN(CCC)c1ccc(C=Cc2cc[n+](OCC)c3ccccc23)cc1

C[n+]1ccc(C=Cc2ccc(cc2)N(c2ccccc2)c2ccccc2)c2ccccc12

COCCOCCn1c2ccc(F)cc2c2cc(C=Cc3cc[n+](CCO)c4ccccc34)ccc12

CCCCN(CCCC)c1ccc2cc(C=Cc3cc[n+](C)c4ccccc34)ccc2c1

CCCCN(CCCC)c1ccc2cc(C=Cc3cc[n+](CCO)c4ccccc34)ccc2c1

CCCCN(CCCC)c1ccc2cc(C=Cc3c[n+](C)cc4ccccc34)ccc2c1

[#6]-[#7](-[#6])-c1ccc2nc(\[#6]=[#6](\C#N)C#N)sc2c1

[#6]-[#7](-[#6])-c1ccc2nc(\[#6]=[#6]\c3ccc(\[#6]=[#6](/C#N)C#N)cc3)sc2c1

CCN(CC)c1ccc(\C=C\C2=CC(\C=C\c3ccc(cc3)N(C)C)=[O+][B-](F)(F)O2)cn1 |c:25,t:11|

CCN(CC)c1ccc(\C=C\C2=CC(\C=C\c3ccc(nc3)N(CC)CC)=[O+][B-](F)(F)O2)cn1 |c:27,t:11|

CN(C)c1ccc(\C=C\C2=CC(\C=C\c3ccc(cc3)N(C)C)=[O+][B-]3(OC(=O)C(=O)O3)O2)cc1 |c:23,t:9|

Cc1c(\C=C\C2=CC(\C=C\c3cnn(c3C)-c3ccccc3)=[O+][B-](F)(F)O2)cnn1-c1ccccc1 |c:23,t:5|

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OCC(=O)NCCC(=O)NCCC(=O)NCCCCCCn1cc(C\C(=C(\O)/C=C/c2ccc(O)c(OC)c2)C(=O)\C=C\c2ccc(O)c(OC)c2)nn1)[C@@H](C)CCCC(C)C |r,t:9|

CC1=CC(C)=[N+]2C1=Cc1ccc(\C=C\c3ccc(s3)-c3ccc([125I])cc3)n1[B-]2(F)F |c:4,t:1,7|

[#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6](\C#N)C#N)cc1

[#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]-2\[#6](=O)-[#8]C([#6])([#6])[#8]-[#6]-2=O)cc1

[#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)cc1

COCCOCCOCCOC(=O)C(=C\c1ccc2cc(ccc2c1)N1CCCCC1)\C#N

COCCOCCOCCOC(=O)C(=C\c1ccc2cc(ccc2c1)N1CCOCC1)\C#N

COCCOCCOCCOC(=O)C(=C\c1ccc2cc(ccc2c1)N1CCN(C)CC1)\C#N

CN(C)c1ncc(\C=C\c2nc3cc(OCCF)ccc3[se]2)cn1

CCN1\C(=C\C=C2/CCCC(\C=C(\C#N)C(=O)C(C)(C)C)=C2Cl)C(C)(C)c2ccccc12 |c:20|

COC(=O)C(=C\C=C\C=C\c1ccc(cc1)N(C)C)\C#N

[#6]-[#8]-[#6](=O)-[#6](=[#6]\[#6]=[#6]\[#6]=[#6]\c1ccc(cc1)-[#7](-[#6])-[#6])\[#6](=O)-[#8]-[#6]

[#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]-2/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-2=O)cc1

[#6]-[#7](-[#6]-[#6]-[#8])-c1ccc2cc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6](/C#N)C#N)ccc2c1

CN(C)c1ccc(cc1)-c1cc(=O)c2cc(I)ccc2o1

COc1ccc(cc1)-c1cc(=O)c2cc(I)ccc2o1

Oc1ccc(cc1)-c1cc(=O)c2cc(I)ccc2o1

CNc1ccc(cc1)-c1cc(=O)c2cc(I)ccc2o1

CNc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1

COc1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)N(C)C

COc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1

Nc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1

CN(C)c1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1

COc1ccc(cc1)-c1ccc(s1)-c1ccc(NCCF)cc1

CSc1ccc(cc1)-c1ccc(s1)-c1ccc(SC)cc1

COc1ccccc1-c1ccc(s1)-c1ccccc1OC

COc1ccc(cc1)-c1ccc(s1)-c1ccc(N)cc1

COc1ccc(cc1)-c1ccc(s1)-c1ccc(OC)cc1

COc1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)[N+]([O-])=O

Oc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1

[O-][N+](=O)c1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)[N+]([O-])=O

Oc1ccc(cc1)-c1ccc(s1)-c1ccc(NCCF)cc1

Nc1ccc(cc1)-c1ccc(s1)-c1ccc(N)cc1

COc1cc(\C=C\c2cc(\C=C\c3ccc(OCC(=O)OC(C)(C)C)c(OC)c3)on2)ccc1OCC(=O)OC(C)(C)C

COc1cc(\C=C\c2cc(\C=C\c3ccc(OCC(O)=O)c(OC)c3)on2)ccc1OCC(O)=O

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(Cc3ccccc3)n2)ccc1O

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccc(cc2)[N+]([O-])=O)ccc1O

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccc(Cl)nn2)ccc1O

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccc(C)cc2)ccc1O

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccc(cc2)C(C)C)ccc1O

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(C)n2)ccc1O

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(CCO)n2)ccc1O

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2cccc(c2)[N+]([O-])=O)ccc1O

COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2cc(Cl)cc(Cl)c2)ccc1O

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccccc3Cl)c2)C1=O)C(N)=O

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3cccc(OC)c3)c2)C1=O)C(N)=O

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(cc3)C(F)(F)F)c2)C1=O)C(N)=O

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccccc3)c2)C1=O)C(N)=O

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NC1CCCC1

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(NN3CCCCC3)c2)C1=O)C(N)=O

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(F)c(Cl)c3)c2)C1=O)C(N)=O

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NCc1ccco1

CCCCNC(=O)[C@@H](CCC)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(OC)cc3)c2)C1=O)C(N)=O

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc4OCOc4c3)c2)C1=O)C(N)=O

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2ccccc2)C1=O)C(=O)NO

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NC\C=C\Cc1ccccc1

CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3cccc(C)c3)c2)C1=O)C(N)=O

O=C(CN1CCN(Cc2ccccc2)CC1)Nc1n[nH]c2ncccc12

O=C(CCN1CCOCC1)Nc1n[nH]c2ncccc12

O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1n[nH]c2ncccc12

O=C(CCN1CCN(CC1)c1ccccc1)Nc1n[nH]c2ncccc12

Cc1ccc2nc3CCCCc3c(N3CCCCC3)c2c1

COc1cc2nc3CCCCc3c(N3CCOCC3)c2cc1OC

CN1CCN(CC1)c1c2CCCCc2nc2ccc(cc12)[N+]([O-])=O

[O-][N+](=O)c1ccc2nc3CCCCc3c(Nc3[nH]nc4ncccc34)c2c1

Nc1nn(-c2c3CCCCc3nc3ccc(cc23)[N+]([O-])=O)c2ncccc12 |(-.36,4.1,;.56,2.87,;.05,1.39,;1.33,.51,;1.33,-1.03,;2.67,-1.8,;4,-1.03,;5.34,-1.8,;5.34,-3.33,;4,-4.1,;2.67,-3.33,;1.33,-4.1,;,-3.33,;-1.33,-4.1,;-2.67,-3.33,;-2.67,-1.8,;-1.33,-1.03,;,-1.8,;-4,-1.03,;-5.34,-1.8,;-4,.51,;2.57,1.39,;4.05,1.08,;5.08,2.21,;4.62,3.69,;3.13,4,;2.1,2.87,)|

Cc1ccc2nc3CCCCc3c(NCCO)c2c1

Cc1ccc2nc3CCCCc3c(NCCN3CCOCC3)c2c1

CC(=O)Nc1ccc2nc3CCCCc3c(N3CCCCC3)c2c1

CCCC(=O)OC[C@@H](COOOP(O)(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCC

CN(C)c1ccc(cc1)-c1cn2cc(CCF)ccc2n1

CN(C)c1ccc(cc1)-c1cn2cc(CCCF)ccc2n1

COc1ccc2oc(cc2c1)-c1ccc(N)cc1

COc1ccc2oc(cc2c1)-c1ccc(cc1)N(C)C

CNc1ccc(cc1)-c1cc2cc(OC)ccc2o1

CNc1ccc(cc1)-c1cc2cc(O)ccc2o1

Nc1ccc(cc1)-c1cc2cc(O)ccc2o1

CN(C)c1ccc(cc1)-c1cc2cc(O)ccc2o1

Oc1ccc(\C=C\C=C\C=C\c2ccc(O)cc2)cc1

COc1ccc(\C=C\C=C\C=C\c2ccc(OC)cc2)cc1

[O-][N+](=O)c1ccc(\C=C\C=C\C=C\c2ccc(cc2)[N+]([O-])=O)cc1

CN(C)c1ccc(\C=C\C=C\C=C\c2ccc(cc2)N(C)C)cc1

CNc1ccc(\C=C\C=C\C=C\c2ccc(NC)cc2)cc1

Nc1ccc(\C=C\C=C\C=C\c2ccc(N)cc2)cc1

Nc1ccc(\C=C\C=C\C=C\c2ccc(NCCF)cc2)cc1

CCN(CC)CCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(C)cc1

Cc1c(O)c(=O)ccn1-c1ccc(OCCCN2CCCC2)cc1

OC(c1cccc(c1)-c1ccc(c(c1)N1CCCC1)[N+]([O-])=O)C(F)(F)F

OC(c1cccc(c1)-c1ccc(c(NCc2ccccc2)c1)[N+]([O-])=O)C(F)(F)F

CC(O)c1cccc(c1)-c1ccc(c(NCc2ccccc2)c1)[N+]([O-])=O

CC(C)CC(C(O)=O)c1cc(Cl)c(OCC2CC2)c(c1)-c1ccc2nonc2c1

CC(C)CC(C(O)=O)c1cc(Cl)c(OCC2CC2)c(c1)-c1ccc(cc1)C(F)(F)F

OC(=O)[C@H](CC1CCC1)c1cc(Cl)c(OCC(F)(F)F)c(c1)-c1ccc(cc1)C(F)(F)F |r|

CC(C)(C)c1ccc(cc1)-c1cc(N2CC(CN3CCCC3)C2)c2nonc2c1

C(C1CN(C1)c1cc(cc2nonc12)-c1ccc(Oc2ccccc2)cc1)N1CCCC1

OC(c1ccc(s1)-c1cc(N2CC(CN3CCCC3)C2)c2nonc2c1)C(F)(F)F

COc1cc2C\C(=C/c3ccc(cc3)[N+]([O-])=O)C(=O)c2cc1OC

CN(C)c1ccc(\C=C2/Nc3ccc(I)cc3C2=O)cc1

CN(C)c1ccc(\C=C2/Cc3cc(I)ccc3C2=O)cc1

OCc1ccc(cc1)-c1ccc(\C=C2/Cc3ccccc3C2=O)s1

NCCCOc1nc(ccc1NC(=O)c1ccc(NC(=O)c2ccc(c(OCc3ccccc3)n2)[N+]([O-])=O)c(OCCCN)n1)C(O)=O

CCC(C)Oc1cc(nc2c(NC(=O)c3cc(OCC(O)=O)c4cccc(NC(=O)c5cc(OC(C)CC)c6cccc([N+]([O-])=O)c6n5)c4n3)cccc12)C(=O)Nc1cccc2c(OCC(O)=O)cc(nc12)C(=O)OC

[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OC(=O)CC)C(C)(C)O |r|

Oc1cccc2ccc(C=CC3=CCN(Cc4ccccc4C(F)(F)F)CC3)nc12

COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4

COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O

c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O

c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O

c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O

Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1

[H][C@]12CCCCN1CCC[C@H]2CCNc1ccc(C)c2sc3ccccc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CCNc1ccc(C)c2oc3ccccc3c(=O)c12 |r|

CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)C[C@@H](Cc1ccccc1)C(N)=O |r|

COc1cc(O)cc(C(O)=O)c1C(=O)c1c(O)cc(CO)cc1O

COC(=O)c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O |r|

COC(=O)c1cc(O[C@@H]2O[C@H](COC(=O)CCC(O)=O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O |r|

COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r|

COC(=O)c1c(Sc2c(O)cc(OC)c(C(=O)c3c(O)cc(C)cc3O)c2C(=O)OC)c(O)cc(OC)c1C(=O)c1c(O)cccc1O

COC(=O)c1c(O)cc(C)c(Sc2c(O)cc(OC)c(Oc3c(O)cc(C)cc3O)c2O)c1C(=O)c1c(O)cc(C)cc1O

COC(=O)c1c(O)cc(C)cc1C(=O)c1cc(O)cc2oc3cc4C(=O)c5cc(C)cc(O)c5C(=O)c4c(O)c3c12

Cc1cc(O)c(C(=O)c2c(O)cc3C(=O)c4cc(C)cc(O)c4C(=O)c3c2O)c(c1)C(=O)c1cc(O)c(O)cc1O

[#6]-[#7](-[#6])-c1ccc2nc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6](\C#N)C#N)sc2c1

COc1ccc2nc(sc2c1)-c1ccc(cc1)N1CCCC1

COc1ccc2nc(sc2c1)-c1ccc(cc1)N1CCOCC1

COc1ccc2nc(sc2c1)-c1ccc(cc1)N1CCCCCCC1

COc1ccc2nc(sc2c1)-c1ccc(cc1)N1CCCCCC1

COc1ccc2nc(sc2c1)-c1ccc(cc1)N1CCCCC1

Oc1c(\C=C\c2ccc(cc2)[N+]([O-])=O)occc1=O

CN(C)c1ccc(\C=C\c2occc(=O)c2O)cc1

Oc1c(\C=C\c2ccc(cc2)N2CCCCC2)occc1=O

Oc1c(\C=C\c2ccc(cc2)N2CCOCC2)occc1=O

Oc1c(\C=C\c2ccc(cc2)N2CCSCC2)occc1=O

COc1ccc(\C=C\c2occc(=O)c2O)cc1O

Oc1ccc(\C=C\c2occc(=O)c2O)cc1O

[H][C@]12CCCCN1CCC[C@H]2CNc1ccc(C)c2sc3ccccc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CCCNc1ccc(C)c2sc3ccccc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CSCCCNc1ccc(C)c2sc3ccccc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CNc1ccc(C)c2sc3ccc(O)cc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CCNc1ccc(C)c2sc3ccc(O)cc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CCCNc1ccc(C)c2sc3ccc(O)cc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CNc1ccc(C)c2sc3ccc(OC)cc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CCNc1ccc(C)c2sc3ccc(OC)cc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CCCNc1ccc(C)c2sc3ccc(OC)cc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CNc1ccc([N+]([O-])=O)c2sc3ccccc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CCCNc1ccc([N+]([O-])=O)c2sc3ccccc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CNc1ccc([N+]([O-])=O)c2sc3ccc(OC)cc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CCNc1ccc([N+]([O-])=O)c2sc3ccc(OC)cc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CCCNc1ccc([N+]([O-])=O)c2sc3ccc(OC)cc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CNc1ccc(N)c2sc3ccccc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CCCNc1ccc(N)c2sc3ccccc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CCNc1ccc(N)c2sc3ccc(OC)cc3c(=O)c12 |r|

CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12

CCN(CC)CCCNc1ccc([N+]([O-])=O)c2sc3ccc(OC)cc3c(=O)c12

CCN(CC)CCCNc1ccc(N)c2sc3ccc(OC)cc3c(=O)c12

[H][C@]12CCCCN1CCC[C@H]2CNc1ccc(C)c2oc3ccccc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@H]2CCCNc1ccc(C)c2oc3ccccc3c(=O)c12 |r|

[H][C@]12CCCCN1CCC[C@@H]2CSN(CCC)C1=C(Cl)C(=O)c2ccccc2C1=O |r,c:19|

[O-][N+](=O)c1ccc2nc(sc2c1)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12

COc1cc2CCn3cc(\C=N\c4ccc(cc4)\N=C\c4cn5CCc6cc(OC)c(OC)cc6-c5c4-c4ccc(Cl)cc4)c(c3-c2cc1OC)-c1ccc(Cl)cc1

CCOC(=O)CN1C(=S)S\C(=C/c2ccc3N(C)c4ccccc4Sc3c2)C1=O

CC(C)[C@H](Nc1c(NC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(=O)c1=O)C(O)=O |r|

C[C@H](O)[C@H](Nc1c(NC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(=O)c1=O)C(O)=O |r|

CC(C)(C)OC(=O)N[C@H](CNc1c(N[C@@H](CC(N)=O)C(O)=O)c(=O)c1=O)Cc1ccccc1 |r|

CC(C)(C)OC(=O)N[C@H](CNc1c(N[C@@H](Cc2ccccc2)C(O)=O)c(=O)c1=O)Cc1ccccc1 |r|

COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc3cc[nH]c3c2)ccc1O

Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)NCCCn2ccnc2)CC[C@H]1c1ccccc1

Clc1ccc(cc1)S(=O)(=O)N1C(CCCOC(=O)NC2CCN(Cc3ccccc3)CC2)CCc2ccccc12

Clc1ccc(cc1)S(=O)(=O)N1C(CCOC(=O)NCCCn2ccnc2)CCc2ccccc12

Clc1ccc(cc1)S(=O)(=O)N1C(CCOC(=O)NC2CCN(Cc3ccccc3)CC2)CCc2ccccc12

OCCN1CCN(CC1)C(=O)OCCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 |w:15.15|

Clc1ccc(cc1)S(=O)(=O)N1C(COC(=O)N2CCC(CC2)N2CCCCC2)CCc2ccccc12 |w:11.12|

CN1CCN(CC1)C(=O)OCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 |w:12.12|

CN1CCCC1CCNC(=O)OC[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1

Clc1ccc(cc1)S(=O)(=O)N1C(CCOC(=O)N2CCN(CC2)C2CCCCC2)CCc2ccccc12 |w:11.12|

OCCN1CCN(CC1)C(=O)OC[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1

CN1CCCC1CCNC(=O)OCCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1

CN1CCCC1CCNC(=O)OCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1

Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)N2CCC(CC2)N2CCCCC2)CCC[C@H]1c1ccccc1

Clc1ccc(cc1)S(=O)(=O)N1C(CCOC(=O)N2CCC(CC2)N2CCCCC2)CCc2ccccc12 |w:11.12|

OCCN1CCN(CC1)C(=O)OCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 |w:14.14|

CN1CCN(CC1)C(=O)OCCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 |w:13.13|

Clc1ccc(cc1)S(=O)(=O)N1C(CCCOC(=O)NCCCn2ccnc2)CCc2ccccc12

Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)NC2CCN(Cc3ccccc3)CC2)CC[C@H]1c1ccccc1

Clc1ccc(cc1)S(=O)(=O)N1C(CCCOC(=O)N2CCC(CC2)N2CCCCC2)CCc2ccccc12 |w:11.12|

Clc1ccc(cc1)S(=O)(=O)N1C(CCCOC(=O)N2CCN(CC2)C2CCCCC2)CCc2ccccc12 |w:11.12|

Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)N2CCC(CC2)N2CCCCC2)CC[C@H]1c1ccccc1

Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)N2CCN(CC2)C2CCCCC2)CC[C@H]1c1ccccc1

CN1CCN(CC1)C(=O)OC[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1

CN(C)c1ccc(\C=C\c2cc(C)c3C(CCCN4CCNc5ccccc45)=C4C(C)=CC(C)=[N+]4[B-](F)(F)n23)s1 |c:32,35,t:29|

CN(C)c1ncc(\C=C\c2cc(C)c3C(CCCO)=C4C(C)=CC(C)=[N+]4[B-](F)(F)n23)s1 |c:21,24,t:18|

CN(C)c1ccc(\C=C\c2cc(C)c3C=C4C=CC=[N+]4[B-](F)(F)n23)s1 |c:16,18,t:14|

O=C1N2CCc3cc4OCOc4c4c5ccccc5c(C1=O)c2c34

COc1ccc2c(c3C(=O)C(=O)N4CCc5cc6OCOc6c2c5c34)c1OC

[H][C@]12Cc3cc(O)cc(OC)c3-c3c4OCOc4cc(CCN1C)c23 |r|

[H][C@]12Cc3cc(OC)cc(O)c3-c3c4OCOc4cc(CCN1C)c23 |r|

[H][C@]12Cc3cc(OC)ccc3-c3c4OCOc4cc(CCN1)c23 |r|

[H][C@]12Cc3cc(OC)cc(O)c3-c3c4OCOc4cc(CCN1)c23 |r|

[H][C@]12Cc3cc(OC)cc(O)c3-c3c4OCOc4c(OC)c(CCN1)c23 |r|

[H][C@]12Cc3cc(OC)ccc3-c3c4OCOc4cc(CCN1C)c23 |r|

[H][C@]12Cc3cc(OC)cc(O)c3-c3c4OCOc4cc(CC[N@+]1(C)[O-])c23 |r|

[H][C@]12Cc3cc(OC)cc(O)c3-c3c4OCOc4cc(CC[N@@+]1(C)[O-])c23 |r|

COC1=CC(=O)c2c(cc3N(C)CCc4cc5OCOc5c2c34)C1=O |t:2|

COc1ccc-2c(c1)C(=O)c1nccc3cc4OCOc4c-2c13

COc1ccc(C[C@@H]2N(C)CCc3ccc(OC)c(O)c23)cc1 |r|

COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(O)c4OC |r|

COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4O

COc1cc-2c(CC[n+]3cc4c(OC)c(O)ccc4cc-23)cc1O

COC1=C(CC(=O)CCc2ccccc2)C(=O)O[C@@H]1O |r,c:2|

N#C\[#6](=[#6]\[#6]=[#6]\c1cn(-[#6]-c2ccccc2)c2ccccc12)C#N

N#C\[#6](=[#6]/[#6]=[#6]/[#6]=[#6]/c1cn(-[#6]-c2ccccc2)c2ccccc12)C#N

N#C\[#6](=[#6]\c1cccc2n(-[#6]-c3ccccc3)ccc12)C#N

N#C\[#6](=[#6]\[#6]=[#6]\c1cccc2n(-[#6]-c3ccccc3)ccc12)C#N

N#C\[#6](=[#6]\[#6]=[#6]\[#6]=[#6]\c1cccc2n(-[#6]-c3ccccc3)ccc12)C#N

N#C\[#6](=[#6]\c1ccc2n(-[#6]-c3ccccc3)ccc2c1)C#N

N#C\[#6](=[#6]\[#6]=[#6]\c1ccc2n(-[#6]-c3ccccc3)ccc2c1)C#N

N#C\[#6](=[#6]\[#6]=[#6]\[#6]=[#6]\c1ccc2n(-[#6]-c3ccccc3)ccc2c1)C#N

N#C\[#6](=[#6]/c1ccc2ccn(-[#6]-c3ccccc3)c2c1)C#N

N#C\[#6](=[#6]/[#6]=[#6]/c1ccc2ccn(-[#6]-c3ccccc3)c2c1)C#N

N#C\[#6](=[#6]/[#6]=[#6]/[#6]=[#6]/c1ccc2ccn(-[#6]-c3ccccc3)c2c1)C#N

N#C\[#6](=[#6]/c1cccc2ccn(-[#6]-c3ccccc3)c12)C#N

N#C\[#6](=[#6]/[#6]=[#6]/c1cccc2ccn(-[#6]-c3ccccc3)c12)C#N

N#C\[#6](=[#6]/[#6]=[#6]/[#6]=[#6]/c1cccc2ccn(-[#6]-c3ccccc3)c12)C#N

N#C\[#6](=[#6]\c1cn(-[#6]-c2ccccc2)c2ncccc12)C#N

N#C\[#6](=[#6]\[#6]=[#6]\c1cn(-[#6]-c2ccccc2)c2ncccc12)C#N

N#C\[#6](=[#6]\[#6]=[#6]\[#6]=[#6]\c1cn(-[#6]-c2ccccc2)c2ncccc12)C#N

N#C\[#6](=[#6]\c1cn(-[#6]-c2cccnc2)c2ccccc12)C#N

N#C\[#6](=[#6]\[#6]=[#6]\c1cn(-[#6]-c2cccnc2)c2ccccc12)C#N

N#C\[#6](=[#6]\[#6]=[#6]\[#6]=[#6]\c1cn(-[#6]-c2cccnc2)c2ccccc12)C#N

Fc1ccc(-[#6]-n2cc(\[#6]=[#6](\C#N)C#N)c3ccccc23)cc1

COC(=O)C(=C\c1cn(Cc2ccccc2)c2ccccc12)\C#N

N#C\C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1

N#CC(=Cc1c[nH]c2ccccc12)C#N |(2.53,2.99,;1.76,4.33,;.99,5.66,;-.55,5.66,;-1.64,4.57,;-.73,3.32,;-1.64,2.08,;-3.1,2.55,;-4.32,1.78,;-5.65,2.55,;-5.65,4.1,;-4.32,4.87,;-3.1,4.1,;1.76,6.99,;2.53,8.33,)|

Ic1ccc(-[#6]-n2cc(\[#6]=[#6](\C#N)C#N)c3ccccc23)cc1

Nc1nc(NCc2ccc(Br)cc2)c2ccccc2n1

OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1cc(F)cc(F)c1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1

Clc1ccc(cc1)S(=O)(=O)N1[C@@H](CCC[C@@H]1C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1)C1CC1

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC[C@@H](O)C1

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CCO)(CC1)OC

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO |w:26.28,29.32,TLB:22:24:31:27.28|

CCC1(O)CCN(CC1)C(=O)O[C@H]1CCC2CCCC1N2S(=O)(=O)c1ccc(Cl)cc1 |w:19.19,15.16,THB:11:12:16.17.18:20|

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(O)(CC)CC1

OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](CC(F)(F)F)N1S(=O)(=O)c1ccc(Cl)cc1

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)C[C@@H]1C

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1cc(F)cc(F)c1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1

OCCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCCO)CC1

Clc1ccc(cc1)S(=O)(=O)N1C2CCCC1[C@H](CC2)OC(=O)N1CCC(CC1)N1CCCCC1 |w:11.12,15.15,TLB:19:16:12.13.14:10|

CCC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1

CCC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC[C@@H](O)C1

CC(C)(CO)N1CCN(CC1)C(=O)O[C@H]1CCC2CCCC1N2S(=O)(=O)c1ccc(Cl)cc1 |w:17.18,21.21,THB:13:14:18.19.20:22|

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)[C@@H](C)C1

O[C@@H]1CCN(C1)C(=O)OC1(CC1)[C@H]1CCC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1

CCCC1(O)CCN(C1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1 |w:3.3|

O[C@@H]1CCN(C1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1

CC(C)(CO)N1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1

Fc1cc(F)cc(c1)[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO

OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO |w:27.29,30.33,TLB:23:25:32:28.29|

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)CC1

FC(F)(F)C[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1

Clc1ccc(cc1)S(=O)(=O)N1C2CCCC1[C@@H](CC2)OC(=O)N1CCC(CC1)N1CCCCC1 |w:11.12,15.15,TLB:19:16:12.13.14:10|

CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)cc1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO |w:26.28,29.32,TLB:22:24:31:27.28|

C=CCSC(=O)/C=C/c1ccc(O)c(O)c1

O=C(/C(=C/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1

CCCCCCCCCCCCCCCCC(=O)O

O=C(Cc1ccccc1[N+](=O)[O-])NCc1cn(-c2cc3ccccc3oc2=O)nn1

O=C(Cc1ccccc1[N+](=O)[O-])OCc1cn(-c2cc3ccccc3oc2=O)nn1

COc1cc(/C=C/C(=O)OCc2cn(-c3cc4ccccc4oc3=O)nn2)ccc1O

O=C(Cc1ccccc1[N+](=O)[O-])NCc1cn(-c2ccc(Oc3ccccc3)cc2)nn1

COc1cc(C(=O)NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O

COc1cc(/C=C/C(=O)NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O

O=C(OCc1cn(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccccc1

O=C(Cc1ccccc1[N+](=O)[O-])OCc1cn(-c2ccc(Oc3ccccc3)cc2)nn1

COc1cc(C(=O)OCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O

COc1cc(/C=C/C(=O)OCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O

Nc1n[nH]c2nc(-c3ccc(Br)cc3)cc(-c3ccc(Br)cc3)c12

COc1ccc(-c2cc(-c3ccc(Br)cc3)nc3[nH]nc(N)c23)cc1OC

COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2

FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|

CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2occc2C)c1 |c:3|

c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4

CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 |c:3|

CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1 |c:3|

CN1C(N)=NC(C2CCCCC2)(C2CCCCC2)C1=O |c:3|

Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1NCCO

Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO

CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1

CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(OCCO)c(N)n1

Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Nc3cncnc3)cc2)n1

Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccs3)cc2)n1

Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cnccn3)cc2)n1

Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)n1

Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccncc3)cc2)n1

Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccc3)cc2)n1

Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1

Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1

CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1

COc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1

Nc1cccc(Cn2c(ccc2-c2ccccc2)-c2ccccc2)n1

CN(C)c1ccc(cc1)C#CC(=O)c1ccc(I)cc1

CN(C)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1

COc1ccc(cc1)C#CC(=O)c1ccc(I)cc1

Oc1ccc(cc1)C#CC(=O)c1ccc(I)cc1

CN(C)c1ccc(\C=C\c2ccc(O)cc2)cc1

CNc1ccc(\C=C\c2ccc(OCC(CO)CO)cc2)cc1

CN(C)c1ccc(\C=C\c2ccc(OCC(CO)CO)cc2)cc1

COc1ccc(cc1)S(=O)(=O)OCC(CO)COc1ccc(\C=C\c2ccc(cc2)N(C)C)cc1

CN(C)c1ccc(\C=C\c2ccc(OCC(CO)CF)cc2)cc1

Nc1ccc(\C=C\c2ccc(OCC(CO)CF)cc2)cc1

CN(C)c1ccc(\C=C\c2ccc(OCC(CO)Cc3ccc(Br)cc3)cc2)cc1

Nc1ccc(\C=C\c2ccc(O)cc2)cc1

CN(C)c1ccc(\C=C\c2ccc(OCC3COC(C)(C)OC3)cc2)cc1

COc1cc(C=CC(C)=O)ccc1O |w:5.4|

COc1cc(C=CC(C)=O)ccc1OCCF |w:5.4|

COc1cc(C=CC(=O)CC(C)=O)cc(I)c1O |w:5.4|

COc1cc(C=CC(C)=O)cc(I)c1O |w:5.4|

COc1cc(C=CC(=O)CC(=O)C=Cc2cc(I)c(O)c(OC)c2)ccc1O |w:6.6,13.13|

COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OCCCF)c(OC)c2)ccc1O |w:6.6,13.13|

COc1cc(C=CC(=O)CC(C)=O)ccc1OCCCF |w:5.4|

COc1cc(C=CC(=O)CC(C)=O)ccc1OCCF |w:5.4|

COc1cc(C=CC(C)=O)ccc1OCCCF |w:5.4|

CN(C)c1ccc(\C=C\c2cc3ccccc3o2)cc1

COc1ccc2oc(\C=C\c3ccc(cc3)N(C)C)cc2c1

CN(C)c1ccc(\C=C\c2cc3cc(O)ccc3o2)cc1

CN(C)c1ccc(\C=C\c2cc3cc(C)ccc3o2)cc1

CN(C)c1ccc(\C=C\c2cc3cc(F)ccc3o2)cc1

CN(C)c1ccc(\C=C\c2cc3cc(Cl)ccc3o2)cc1

CN(C)c1ccc(\C=C\c2cc3cc(Br)ccc3o2)cc1

CN(C)c1ccc(\C=C\c2cc3cc(I)ccc3o2)cc1

COc1ccc2cc(\C=C\c3ccc(cc3)N(C)C)oc2c1

CN(C)c1ccc(\C=C\c2cc3ccc(O)cc3o2)cc1

CN(C)c1ccc(\C=C\c2cc3ccc(C)cc3o2)cc1

CN(C)c1ccc(\C=C\c2cc3ccc(F)cc3o2)cc1

CN(C)c1ccc(\C=C\c2cc3ccc(Cl)cc3o2)cc1

CN(C)c1ccc(\C=C\c2cc3ccc(Br)cc3o2)cc1

CN(C)c1ccc(\C=C\c2cc3ccc(I)cc3o2)cc1

COc1ccc2oc(\C=C\c3ccc(N)cc3)cc2c1

CNc1ccc(\C=C\c2cc3cc(OC)ccc3o2)cc1

Nc1ccc(\C=C\c2cc3cc(O)ccc3o2)cc1

CNc1ccc(\C=C\c2cc3cc(O)ccc3o2)cc1

COc1ccc2cc(\C=C\c3ccc(N)cc3)oc2c1

CNc1ccc(\C=C\c2cc3ccc(OC)cc3o2)cc1

COc1ccc2oc(\C=C\c3ccc(N(C)C)c(OC)c3)cc2c1

COc1ccc2cc(\C=C\c3ccc(N(C)C)c(OC)c3)oc2c1

CCN(CCCCCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCCCCCN(CC)Cc1ccccc1OC)c3=O)Cc1ccccc1OC

COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1

Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(c2)C(F)(F)F)cc1

Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(OCC(F)(F)F)c2)cc1

Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(OCCCC(F)(F)F)c2)cc1

Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c2)cc1

COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2)cc(OC)c1O

COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(OC)c1O

COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(Cl)c1O

COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(Br)c1O

COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(O)c1O

COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)ccc1O

COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)cc(OC)c1O

COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(Cl)c2)cc(OC)c1O

COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(c2)C(F)(F)F)cc(Cl)c1O

COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(OC(F)(F)F)c2)cc(F)c1O

Oc1ccc(\C=C2/Oc3c(ccc(O)c3O)C2=O)cc1O

c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O

COc1c(oc2c(O)c(O)ccc2c1=O)-c1ccc(O)c(O)c1

[H][C@@]12CCC(=O)[C@@]1(C)C[C@H](O)C1=C2C(=O)c2occ3c2[C@]1(C)CCC3=O |r,c:12|

[H][C@@]12CCC(=O)[C@@]1(C)[C@H](O)CC1=C2C(=O)c2occ3[C@@H](O)CC[C@@]1(C)c23 |r,c:12|

C[C@]12[C@H](O)CC(=O)c3coc(c13)C(=O)c1c3CCC(=O)c3ccc21 |r|

C[C@@]1(O)c2c(coc2C(=O)c2c3CCC(=O)c3ccc12)[C@@H](O)CCO |r|

C[C@@]1(O)c2c(CCCO)coc2C(=O)c2c3CCC(=O)c3ccc12 |r|

C[C@@]1(O)c2c(CCO)coc2C(=O)c2c3CCC(=O)c3ccc12 |r|

C[C@]1(O)c2c(coc2C(=O)c2c3CCC(=O)c3ccc12)[C@@H](O)CCO |r|

C[C@]12[C@@H](O)C[C@H](O)c3coc(c13)C(=O)c1c3CCC(=O)c3ccc21 |r|

CCN1C(Sc2ccc(OCCCO[N+]([O-])=O)cc12)=CC=Cc1sc2ccc(OCCCO[N+]([O-])=O)cc2[n+]1CC

CCN1C(Sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc12)=CC=Cc1sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc2[n+]1CC

CCN1C(Sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc12)=CC=Cc1sc2ccccc2[n+]1CC

CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC

CCN1C(Sc2ccc(OCCCO[N+]([O-])=O)cc12)=CC=Cc1sc2ccccc2[n+]1CC

CCN1C(Sc2ccc(Oc3no[n+]([O-])c3-c3ccccc3)cc12)=CC=Cc1sc2ccccc2[n+]1CC

CCCOc1ccc2SC(=C/C=C/c3sc4ccccc4[n+]3CC)N(CC)c2c1

COc1cc(ccc1O)-c1cc([nH]n1)-c1c(O)cccc1O

Oc1ccc(cc1)-c1cc([nH]n1)-c1c(O)cccc1O

Oc1ccc(cc1O)-c1cc([nH]n1)-c1c(O)cccc1O

COc1cc(cc(OC)c1O)-c1cc([nH]n1)-c1c(O)cccc1O

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

COc1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1

O=C1Nc2ccccc2\C1=C\C=C\c1ccccc1

CN(C)c1ccc(\C=C2/C(=O)N(c3ccccc23)c2ccccc2)cc1

COc1ccc(CN2C(=O)\C(=C/c3ccc(cc3)N(C)C)c3cccnc23)cc1

[O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1

[O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)N(Cc3ccccc3)c3ccccc23)cc1

COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1

COc1ccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1

COc1cccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)c1

COc1cccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)c1

COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1OC

COc1ccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1OC

[O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1

[O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1

[O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)Nc3ccccc23)cc1

[O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1

[O-][N+](=O)c1ccc(\C=C2\C(=O)N(Cc3ccccc3)c3ccccc23)cc1

[O-][N+](=O)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1

[O-][N+](=O)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1

[O-][N+](=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1

Nc1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1

CN(C)c1ccc(\C=C\C=C2/C(=O)N(c3ccccc23)c2ccccc2)cc1

CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(N)cc3)c3ccccc23)cc1

COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3cccnc23)cc1

CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1

CCOC(=O)N1C(=O)\C(=C/C=C/c2ccc(cc2)N(C)C)c2ccccc12

CN(C)c1ccc(\C=C\C=C2/C(=O)N(c3ccccc23)c2ccncc2)cc1

CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1

COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1

CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1

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

COc1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1

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

CN(C)c1ccc(\C=C2/C(=O)Nc3ncccc23)cc1

CN(C)c1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)cc1

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

CN(C)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1

COc1ccc(CN2C(=O)\C(=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1

CN(C)c1ccc(\C=C2/C(=O)N(c3ccccc23)c2ccncc2)cc1

CCOC(=O)N1C(=O)\C(=C/c2ccc(cc2)N(C)C)c2ccccc12

CN(C)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1

O=C1N(Cc2ccccc2)c2ccccc2\C1=C\C=C\c1ccccc1

CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ccc(O)cc23)cc1

CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ncccc23)cc1

OC(=O)c1c(O)cc2c3ccccc3[nH]c2c1O

COc1cccc(c1)N1N=C(C)CC1=O |t:10|

CC1=NN(C(=O)C1)c1ccc(cc1)N(c1ccccc1)c1ccccc1 |t:1|

CC1=NN(C(=O)C1)c1ccc(cc1)-n1cccc1 |t:1|

CC1=NN(C(=O)C1)c1cccc(COCc2ccccc2)c1 |t:1|

CC1=NN(C(=O)C1)c1ccc(cc1)-c1ccccc1 |t:1|

COc1ccc(cc1)-c1ccc(cc1)N1N=C(C)CC1=O |t:17|

CC1=NN(C(=O)C1)c1ccc(cc1)-c1cccnc1 |t:1|

CCc1ccccc1N1N=C(C)CC1=O |t:10|

CC1=NN(C(=O)C1)c1cccnc1 |t:1|

CC1=NN(C(=O)C1)c1cc(C)ccc1C |t:1|

COc1cc(nc(OC)n1)N1N=C(C)CC1=O |t:12|

CC1=NN(C(=O)C1)c1cc(F)ccc1C |t:1|

OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r|

COc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1

Cc1ccc(cc1)-c1cc(NCCNc2cc([nH]n2)-c2cccs2)n[nH]1

CN(C)c1ccc(cc1)-c1cc(NCCNc2cc([nH]n2)-c2ccc(cc2)N(C)C)n[nH]1

Fc1ccc(cc1)-c1cc(NCCNc2cc([nH]n2)-c2ccc(F)cc2)n[nH]1

COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1

COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1OC

COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)c(OC)c1OC

Oc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1

Clc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1

COc1cc(OC)cc(c1)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12

COc1cc(cc(OC)c1OC)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12

COc1ccc(C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)c(OC)c1OC

COc1cc(ccc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12

Oc1ccc(cc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12

COc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1OC

COc1cc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc(OC)c1OC

COc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1O

Clc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1

O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1c2CCCCc2nc2ccccc12

c1ccc2c(c1)c(c3c(n2)CCCC3)N

Nc1nc(NCC2CCCCC2)nc2ccccc12

CC(C)Nc1nc(N)c2ccccc2n1

CCCNc1nc(N)c2ccccc2n1

Nc1nc(NCCc2ccccc2)nc2ccccc12

Nc1nc(NCc2ccc(F)cc2)nc2ccccc12

Nc1nc(NCc2cccc(F)c2)nc2ccccc12

Nc1nc(NCc2ccc(Br)cc2)nc2ccccc12

Nc1nc(NCc2cccc(Br)c2)nc2ccccc12

Nc1nc(NCc2ccc(Cl)cc2)nc2ccccc12

Nc1nc(NCc2cccc(Cl)c2)nc2ccccc12

Nc1nc(NCc2ccc(cc2)C(F)(F)F)nc2ccccc12

Nc1nc(NCc2cccc(c2)C(F)(F)F)nc2ccccc12

COc1ccc(CNc2nc(N)c3ccccc3n2)cc1

COc1cccc(CNc2nc(N)c3ccccc3n2)c1

Cc1ccc(CNc2nc(N)c3ccccc3n2)cc1

Cc1cccc(CNc2nc(N)c3ccccc3n2)c1

Nc1nc(NCc2ccccc2)nc2ccccc12

Oc1ccc2cc(cc(c2c1N=Nc1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O

Nc1nc(NCC2CCCCC2)c2ccccc2n1

Nc1nc(NCCc2ccccc2)c2ccccc2n1

Nc1nc(NCc2ccc(F)cc2)c2ccccc2n1

Nc1nc(NCc2cccc(F)c2)c2ccccc2n1

Nc1nc(NCc2cccc(Br)c2)c2ccccc2n1

Nc1nc(NCc2ccc(Cl)cc2)c2ccccc2n1

Nc1nc(NCc2cccc(Cl)c2)c2ccccc2n1

Nc1nc(NCc2ccc(cc2)C(F)(F)F)c2ccccc2n1

Nc1nc(NCc2cccc(c2)C(F)(F)F)c2ccccc2n1

COc1ccc(CNc2nc(N)nc3ccccc23)cc1

Cc1ccc(CNc2nc(N)nc3ccccc23)cc1

Cc1cccc(CNc2nc(N)nc3ccccc23)c1

Nc1nc(NCc2ccccc2)c2ccccc2n1

CC(C)Nc1nc(N)nc2ccccc12

CCCNc1nc(N)nc2ccccc12

COc1cccc(CNc2nc(N)nc3ccccc23)c1

O=[#6](-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1)-c1ccco1

O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](-c2ccccc2)-c2ccccc2)-[#6](=O)-c2ccccc-12

O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2ncccn2)-[#6](=O)-c2ccccc-12