1623 SMILES Strings for Phosphatidylinositol 3-kinase regulatory subunit beta

Compound Name
SMILES String
C1CC1c1nc2c(cc(cc2n1-c1ccnc2ccccc12)N1CCOCC1)-c1nnc[nH]1 |(6.23,.53,;5.83,2.02,;4.75,.93,;3.26,.53,;2.78,-.93,;1.24,-.93,;.21,-2.08,;-1.29,-1.76,;-1.77,-.29,;-.74,.85,;.77,.53,;2.01,1.44,;2.01,2.98,;3.35,3.75,;3.35,5.29,;2.01,6.06,;.68,5.29,;-.66,6.06,;-1.99,5.29,;-1.99,3.75,;-.66,2.98,;.68,3.75,;-3.26,.11,;-4.35,-.98,;-5.83,-.58,;-6.23,.9,;-5.14,1.99,;-3.66,1.59,;.61,-3.56,;-.29,-4.81,;.61,-6.06,;2.07,-5.58,;2.07,-4.04,)|
C1CN(CCN1)c1cc(-n2cnc3c(cc(cc23)N2CCOCC2)-c2nnc[nH]2)c2ccccc2n1
C1CN(CCO1)c1cc(-c2nnc[nH]2)c2nc(-c3ccccn3)n(-c3ccnc4ccccc34)c2c1 |(-5.89,1.99,;-4.4,1.59,;-4,.11,;-5.09,-.98,;-6.58,-.58,;-6.98,.9,;-2.51,-.29,;-2.04,-1.76,;-.53,-2.08,;-.13,-3.56,;-1.04,-4.81,;-.13,-6.06,;1.33,-5.58,;1.33,-4.04,;.5,-.93,;2.04,-.93,;2.51,.53,;4,.93,;4.4,2.42,;5.89,2.82,;6.98,1.73,;6.58,.24,;5.09,-.16,;1.27,1.44,;1.27,2.98,;2.6,3.75,;2.6,5.29,;1.27,6.06,;-.07,5.29,;-1.4,6.06,;-2.73,5.29,;-2.73,3.75,;-1.4,2.98,;-.07,3.75,;.02,.53,;-1.48,.85,)|
C1CN(CCO1)c1cc(-c2nnc[nH]2)c2ncn(-c3cc(nc4ccccc34)-c3cc[nH]n3)c2c1
C1CN(CCO1)c1cc(-c2nnc[nH]2)c2ncn(-c3cc(nc4ccccc34)-c3cn[nH]c3)c2c1
C1OCC1c1nc2c(cc(cc2n1-c1ccnc2ccccc12)N1CCOCC1)-c1nnc[nH]1 |(5.77,.16,;6.54,1.49,;5.21,2.26,;4.44,.93,;2.95,.53,;2.47,-.93,;.93,-.93,;-.1,-2.08,;-1.6,-1.76,;-2.08,-.29,;-1.05,.85,;.46,.53,;1.7,1.44,;1.7,2.98,;3.04,3.75,;3.04,5.29,;1.7,6.06,;.37,5.29,;-.96,6.06,;-2.3,5.29,;-2.3,3.75,;-.96,2.98,;.37,3.75,;-3.57,.1,;-3.96,1.59,;-5.45,1.99,;-6.54,.9,;-6.14,-.59,;-4.66,-.98,;.3,-3.57,;-.67,-4.76,;.17,-6.06,;1.66,-5.66,;1.74,-4.12,)|
CC(=C)Nc1cc2ccc(cn2n1)-c1cc(F)c2oc(N)nc2c1
CC(=O)N1CCC(CC1)Nc1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CC(=O)N1CCC(CC1)Nc1ncnc2ccc(nc12)-c1ccc2oc(N)nc2c1
CC(=O)N1CCC(CC1)n1nc(-c2cc3c(Cl)ccc(O)c3[nH]2)c2c(N)ncnc12
CC(=O)N1CCC(CC1)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12
CC(=O)N1CCC(CC1)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(=O)N1CCC(CC1)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc12
CC(=O)N1CCC(CC1)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
CC(=O)N1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC(=O)N1CCN(CC1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(=O)NC1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC(=O)NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CC(=O)Nc1cc2ccc(cc2s1)-c1ccc2oc(N)nc2c1
CC(=O)Nc1cn2cc(ccc2n1)-c1ccc2nccc(-c3ccncc3)c2c1
CC(=O)Nc1cn2cc(ccc2n1)-c1ccc2oc(N)nc2c1
CC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc2oc(N)nc2c1
CC(=O)Nc1n[nH]c2ccc(cc12)-c1ccc2oc(N)nc2c1
CC(=O)Nc1nc(C)c(s1)-c1ccc2oc(N)nc2c1
CC(=O)Nc1nc2cc(ccc2o1)-c1ccc2oc(N)nc2c1
CC(=O)Nc1nc2cc(ccc2s1)-c1cc(F)c2oc(N)nc2c1
CC(=O)Nc1nc2cc(ccc2s1)-c1ccc2nc(N)oc2c1
CC(=O)Nc1nc2cc(ccc2s1)-c1ccc2oc(N)nc2c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cc(F)c2oc(N)nc2c1
CC(=O)Nc1nc2ccc(cc2s1)-c1ccc2nc(N)oc2c1
CC(=O)Nc1nc2ccc(cc2s1)-c1ccc2nccc(-c3ccncc3)c2c1
CC(=O)Nc1nc2ccc(cc2s1)-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1
CC(=O)Nc1ncc(s1)-c1ccc2oc(N)nc2c1
CC(=O)n1nc(N)c2ccc(cc12)-c1ccc2oc(N)nc2c1
CC(C)(C#N)c1ccc(Nc2ncnc3ccc(cc23)-c2ccc3oc(N)nc3c2)cc1
CC(C)(C)C(=O)NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CC(C)(C)N1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC(C)(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(C)(C)c1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-5.94,-1.05,;-4.86,.04,;-5.25,1.53,;-3.77,1.13,;-3.37,-.36,;-2.89,-1.82,;-1.35,-1.82,;-.32,-2.97,;1.18,-2.65,;1.66,-1.18,;.63,-.04,;-.88,-.36,;-2.12,.55,;-2.12,2.09,;-.79,2.86,;-.79,4.4,;-2.12,5.17,;-3.46,4.4,;-4.79,5.17,;-4.79,6.71,;-6.12,4.4,;-6.12,2.86,;-4.79,2.09,;-3.46,2.86,;3.15,-.78,;4.24,-1.87,;5.72,-1.47,;6.12,.01,;5.03,1.1,;3.55,.7,;-1.09,-4.3,;-.54,-5.74,;-1.74,-6.71,;-3.03,-5.87,;-2.63,-4.38,)|
CC(C)(CO)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
CC(C)(N)C(=O)N1CCN(CC1)c1ccc2ncc(cc2n1)-c1ccc2oc(N)nc2c1
CC(C)(N)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(C)(N)C(=O)N1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CC(C)C(=O)Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
CC(C)C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
CC(C)C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
CC(C)C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
CC(C)Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc(C)[nH]1 |(-6.78,-.22,;-5.29,-.62,;-4.89,-2.11,;-4.2,.47,;-2.71,.07,;-2.24,-1.4,;-.7,-1.4,;.33,-2.54,;1.84,-2.22,;2.32,-.76,;1.28,.39,;-.22,.07,;-1.47,.97,;-1.47,2.51,;-.13,3.28,;-.13,4.82,;-1.47,5.59,;-2.8,4.82,;-4.14,5.59,;-4.14,7.13,;-5.47,4.82,;-5.47,3.28,;-4.14,2.51,;-2.8,3.28,;3.8,-.36,;4.89,-1.45,;6.38,-1.05,;6.78,.44,;5.69,1.53,;4.2,1.13,;-.07,-4.03,;.84,-5.27,;-.07,-6.52,;-1.53,-6.04,;-2.62,-7.13,;-1.53,-4.5,)|
CC(C)Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-6.78,-.53,;-5.29,-.93,;-4.89,-2.42,;-4.2,.16,;-2.71,-.24,;-2.24,-1.7,;-.7,-1.7,;.33,-2.85,;1.84,-2.53,;2.32,-1.06,;1.28,.08,;-.22,-.24,;-1.47,.67,;-1.47,2.21,;-.13,2.98,;-.13,4.52,;-1.47,5.29,;-2.8,4.52,;-4.14,5.29,;-4.14,6.83,;-5.47,4.52,;-5.47,2.98,;-4.14,2.21,;-2.8,2.98,;3.8,-.66,;4.89,-1.75,;6.38,-1.35,;6.78,.13,;5.69,1.22,;4.2,.82,;-.07,-4.33,;.84,-5.58,;-.07,-6.83,;-1.53,-6.35,;-1.53,-4.81,)|
CC(C)Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-6.45,-2.29,;-4.96,-1.89,;-3.87,-2.98,;-4.56,-.41,;-3.08,-.01,;-2.53,-1.45,;-.99,-1.37,;.1,-2.45,;1.59,-2.06,;1.99,-.57,;.9,.52,;-.59,.12,;-1.88,.96,;-1.88,2.5,;-.55,3.27,;-.55,4.81,;-1.88,5.58,;-3.21,4.81,;-4.55,5.58,;-4.55,7.12,;-5.88,4.81,;-5.88,3.27,;-4.55,2.5,;-4.55,.96,;-3.21,3.27,;3.48,-.17,;4.56,-1.26,;6.05,-.86,;6.45,.63,;5.36,1.72,;3.87,1.32,;-.3,-3.94,;.67,-5.14,;-.17,-6.43,;-1.65,-6.03,;-2.74,-7.12,;-1.73,-4.49,)|
CC(C)Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1ncco1 |(-3.87,-3.33,;-4.96,-2.24,;-6.45,-2.64,;-4.56,-.75,;-3.08,-.35,;-2.53,-1.79,;-.99,-1.71,;.1,-2.8,;1.59,-2.4,;1.99,-.91,;.9,.18,;-.59,-.22,;-1.88,.62,;-1.88,2.16,;-.55,2.93,;-.55,4.47,;-1.88,5.24,;-3.21,4.47,;-4.55,5.24,;-4.55,6.78,;-5.88,4.47,;-5.88,2.93,;-4.55,2.16,;-4.55,.62,;-3.21,2.93,;3.48,-.52,;4.56,-1.6,;6.05,-1.21,;6.45,.28,;5.36,1.37,;3.87,.97,;-.3,-4.29,;.67,-5.48,;-.17,-6.78,;-1.65,-6.38,;-1.73,-4.84,)|
CC(C)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CC(C)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
CC(C)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
CC(C)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1cnc(Cl)c(NS(C)(=O)=O)c1
CC(C)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1
CC(C)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1cncc(NS(C)(=O)=O)c1
CC(C)N1CCC(CC1)n1nc(-c2cc3c(Cl)ccc(O)c3[nH]2)c2c(N)ncnc12
CC(C)N1CCC(CC1)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12
CC(C)N1CCC(CC1)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(C)N1CCC(CC1)n1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc12
CC(C)N1CCN(C(=O)C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(C)N1CCN(CC1)C(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(C)N1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC(C)N1CCN(CC1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(C)N1CCN(CC1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(C)N1CCN(CC1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1
CC(C)N1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CC(C)N1CCN(CC1)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
CC(C)NC(=O)Nc1cc(ccc1F)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CC(C)NC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CC(C)NCC(O)CCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
CC(C)Oc1nc(cnc1N)-c1ccc2oc(N)nc2c1
CC(C)[C@@H](N)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
CC(C)[C@H](N)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
CC(C)c1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(N)c1)-c1nnc(C)[nH]1 |(-6.29,-.78,;-5.2,.31,;-5.6,1.79,;-3.71,-.09,;-3.24,-1.56,;-1.7,-1.56,;-.67,-2.7,;.84,-2.38,;1.32,-.92,;.28,.23,;-1.22,-.09,;-2.47,.81,;-2.47,2.35,;-1.13,3.12,;-1.13,4.66,;-2.47,5.43,;-3.8,4.66,;-5.13,5.43,;-5.13,6.97,;-6.47,4.66,;-6.47,3.12,;-5.13,2.35,;-4.36,1.02,;-3.8,3.12,;2.8,-.52,;3.2,.97,;4.69,1.37,;5.78,.28,;5.38,-1.21,;6.47,-2.3,;3.89,-1.61,;-1.07,-4.19,;-.16,-5.43,;-1.07,-6.68,;-2.53,-6.2,;-3.86,-6.97,;-2.53,-4.66,)|
CC(C)c1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-6.29,-.93,;-5.2,.16,;-5.6,1.65,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-4.36,.87,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
CC(C)c1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc(C)[nH]1 |(-5.94,-.62,;-4.86,.47,;-5.25,1.95,;-3.37,.07,;-2.89,-1.4,;-1.35,-1.4,;-.32,-2.54,;1.18,-2.22,;1.66,-.76,;.63,.39,;-.88,.07,;-2.12,.97,;-2.12,2.51,;-.79,3.28,;-.79,4.82,;-2.12,5.59,;-3.46,4.82,;-4.79,5.59,;-4.79,7.13,;-6.12,4.82,;-6.12,3.28,;-4.79,2.51,;-3.46,3.28,;3.15,-.36,;4.24,-1.45,;5.72,-1.05,;6.12,.44,;5.03,1.53,;3.55,1.13,;-.72,-4.03,;.18,-5.27,;-.72,-6.52,;-2.18,-6.04,;-3.27,-7.13,;-2.18,-4.5,)|
CC(C)c1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(6.03,-.93,;4.94,.16,;5.34,1.65,;3.46,-.24,;2.98,-1.7,;1.44,-1.7,;.41,-2.85,;-1.1,-2.53,;-1.57,-1.06,;-.54,.08,;.97,-.24,;2.21,.67,;2.21,2.21,;3.55,2.98,;3.55,4.52,;2.21,5.29,;.88,4.52,;-.46,5.29,;-.46,6.83,;-1.79,4.52,;-1.79,2.98,;-.46,2.21,;.88,2.98,;-3.06,-.66,;-3.46,.82,;-4.94,1.22,;-6.03,.13,;-5.64,-1.35,;-4.15,-1.75,;.81,-4.33,;-.1,-5.58,;.81,-6.83,;2.27,-6.35,;2.27,-4.81,)|
CC(C)c1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-4.76,-5.99,;-3.27,-6.39,;-2.88,-7.88,;-2.18,-5.3,;-.72,-5.78,;.18,-4.53,;-.72,-3.28,;-2.18,-3.76,;-.32,-1.8,;1.18,-1.48,;1.66,-.01,;.63,1.13,;-.88,.81,;-2.12,1.72,;-3.37,.81,;-4.86,1.21,;-2.89,-.65,;-1.35,-.65,;-2.12,3.26,;-.79,4.03,;-.79,5.57,;-2.12,6.34,;-3.46,5.57,;-4.79,6.34,;-4.79,7.88,;-6.12,5.57,;-6.12,4.03,;-4.79,3.26,;-3.46,4.03,;3.15,.39,;4.24,-.7,;5.72,-.3,;6.12,1.18,;5.03,2.27,;3.55,1.87,)|
CC(C)n1cc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
CC(C)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
CC(C)n1nc(-c2cc3c(Cl)c(O)ccc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3cc(O)cc(F)c3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3cccc(Cl)c3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3nc(N)oc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3nc(NC(C)=O)oc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(C)nc12
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3oc(NC(C)=O)nc3c2)c2c(N)ncnc12
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O
CC(CCN)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CC(CCO)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CC(CN)Cn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CC(CN)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CC(CO)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
CC(N)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2nc1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1
CC(Nc1ncnc(N)c1-c1nn[nH]n1)c1cc2ncc(Cl)n2nc1-c1ccccc1
CC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1
CC(O)CNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CC(Oc1nc(cnc1N)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1)C(F)(F)F
CC(Oc1nc(cnc1N)-c1ccc2oc(N)nc2c1)C(F)(F)F
CC(Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC(F)(F)F)c1
CC(Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2Cl)c1
CC1(C)CN(CCN1)C1CC(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |(-.41,-6.08,;-1.74,-5.31,;-.41,-4.54,;-1.74,-3.77,;-3.08,-3,;-4.41,-3.77,;-4.41,-5.31,;-3.08,-6.08,;-3.08,-1.46,;-4.17,-.37,;-3.08,.72,;-1.99,-.37,;-4.17,1.81,;-5.65,1.41,;-3.77,3.29,;-4.67,4.54,;-3.77,5.79,;-2.3,5.31,;-.97,6.08,;.36,5.31,;.36,3.77,;-.97,3,;-2.3,3.77,;1.7,3,;3.03,3.77,;4.37,3,;4.37,1.46,;5.51,.43,;4.88,-.98,;5.65,-2.31,;3.35,-.82,;3.03,.69,;1.7,1.46,)|
CC1(C)CN(CCN1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC1(C)CN(CCN1)C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1
CC1(C)CN(CCN1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CC1(C)CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC1(C)CN(CCO1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC1(C)CN(CCO1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CC1(C)COCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC1(CC1)c1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-5.94,-1.05,;-4.86,.04,;-4.46,1.53,;-5.94,1.13,;-3.37,-.36,;-2.89,-1.82,;-1.35,-1.82,;-.32,-2.97,;1.18,-2.65,;1.66,-1.18,;.63,-.04,;-.88,-.36,;-2.12,.55,;-2.12,2.09,;-.79,2.86,;-.79,4.4,;-2.12,5.17,;-3.46,4.4,;-4.79,5.17,;-4.79,6.71,;-6.12,4.4,;-6.12,2.86,;-4.79,2.09,;-3.46,2.86,;3.15,-.78,;4.24,-1.87,;5.72,-1.47,;6.12,.01,;5.03,1.1,;3.55,.7,;-1.09,-4.3,;-.54,-5.74,;-1.74,-6.71,;-3.03,-5.87,;-2.63,-4.38,)|
CC1CN(CC(C)N1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC1CN(CC(C)N1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC1CN(CCN1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC1CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC1CN(CCO1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC1CN(CCO1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CC1CN(CCO1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F
CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccn1
CCCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CCC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CCC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(C)ccc(F)c12)N1CCOCC1)-c1nnc(C)[nH]1 |(-6.78,-.38,;-5.29,-.78,;-4.2,.31,;-2.71,-.09,;-2.24,-1.56,;-.7,-1.56,;.33,-2.7,;1.84,-2.38,;2.32,-.92,;1.28,.23,;-.22,-.09,;-1.47,.81,;-1.47,2.35,;-.13,3.12,;-.13,4.66,;-1.47,5.43,;-2.8,4.66,;-4.14,5.43,;-4.14,6.97,;-5.47,4.66,;-5.47,3.12,;-4.14,2.35,;-4.14,.81,;-2.8,3.12,;3.8,-.52,;4.89,-1.61,;6.38,-1.21,;6.78,.28,;5.69,1.37,;4.2,.97,;-.07,-4.19,;.84,-5.43,;-.07,-6.68,;-1.53,-6.2,;-2.86,-6.97,;-1.53,-4.66,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(C)ccc(F)c12)N1CCOCC1)-c1nnc[nH]1 |(-6.78,-.53,;-5.29,-.93,;-4.2,.16,;-2.71,-.24,;-2.24,-1.7,;-.7,-1.7,;.33,-2.85,;1.84,-2.53,;2.32,-1.06,;1.28,.08,;-.22,-.24,;-1.47,.67,;-1.47,2.21,;-.13,2.98,;-.13,4.52,;-1.47,5.29,;-2.8,4.52,;-4.14,5.29,;-4.14,6.83,;-5.47,4.52,;-5.47,2.98,;-4.14,2.21,;-4.14,.67,;-2.8,2.98,;3.8,-.66,;4.89,-1.75,;6.38,-1.35,;6.78,.13,;5.69,1.22,;4.2,.82,;-.07,-4.33,;.84,-5.58,;-.07,-6.83,;-1.53,-6.35,;-1.53,-4.81,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)c(F)ccc12)N1CCOCC1)-c1nnc[nH]1 |(-6.77,-.53,;-5.28,-.93,;-4.19,.16,;-2.7,-.24,;-2.23,-1.7,;-.69,-1.7,;.35,-2.85,;1.85,-2.53,;2.33,-1.06,;1.3,.08,;-.21,-.24,;-1.46,.67,;-1.46,2.21,;-.12,2.98,;-.12,4.52,;-1.46,5.29,;-2.79,4.52,;-4.12,5.29,;-4.12,6.83,;-5.46,4.52,;-6.79,5.29,;-5.46,2.98,;-4.12,2.21,;-2.79,2.98,;3.81,-.67,;4.9,-1.75,;6.39,-1.36,;6.79,.13,;5.7,1.22,;4.21,.82,;-.05,-4.34,;.79,-5.63,;-.18,-6.83,;-1.62,-6.27,;-1.54,-4.74,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cc(F)cc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-6.76,-.3,;-5.27,-.7,;-4.18,.39,;-2.69,-.01,;-2.14,-1.45,;-.6,-1.37,;.48,-2.45,;1.97,-2.06,;2.37,-.57,;1.28,.52,;-.21,.12,;-1.5,.96,;-1.5,2.5,;-.16,3.27,;-.16,4.81,;-1.5,5.58,;-2.83,4.81,;-4.17,5.58,;-4.17,7.12,;-5.5,4.81,;-5.5,3.27,;-6.83,2.5,;-4.17,2.5,;-2.83,3.27,;3.86,-.17,;4.95,-1.26,;6.43,-.86,;6.83,.63,;5.74,1.72,;4.26,1.32,;.09,-3.94,;1.05,-5.14,;.22,-6.43,;-1.27,-6.03,;-2.36,-7.12,;-1.35,-4.49,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cc(F)cc12)N1CCOCC1)-c1ncco1 |(-6.76,-.65,;-5.27,-1.04,;-4.18,.04,;-2.69,-.35,;-2.14,-1.79,;-.6,-1.71,;.48,-2.8,;1.97,-2.4,;2.37,-.91,;1.28,.18,;-.21,-.22,;-1.5,.62,;-1.5,2.16,;-.16,2.93,;-.16,4.47,;-1.5,5.24,;-2.83,4.47,;-4.17,5.24,;-4.17,6.78,;-5.5,4.47,;-5.5,2.93,;-6.83,2.16,;-4.17,2.16,;-2.83,2.93,;3.86,-.52,;4.95,-1.6,;6.43,-1.21,;6.83,.28,;5.74,1.37,;4.26,.97,;.09,-4.29,;1.05,-5.48,;.22,-6.78,;-1.27,-6.38,;-1.35,-4.84,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cc(F)cc12)N1CCOCC1)-c1nnc[nH]1 |(-6.77,-.53,;-5.28,-.93,;-4.19,.16,;-2.7,-.24,;-2.23,-1.7,;-.69,-1.7,;.35,-2.85,;1.85,-2.53,;2.33,-1.06,;1.3,.08,;-.21,-.24,;-1.46,.67,;-1.46,2.21,;-.12,2.98,;-.12,4.52,;-1.46,5.29,;-2.79,4.52,;-4.12,5.29,;-4.12,6.83,;-5.46,4.52,;-5.46,2.98,;-6.79,2.21,;-4.12,2.21,;-2.79,2.98,;3.81,-.66,;4.9,-1.75,;6.39,-1.35,;6.79,.13,;5.7,1.22,;4.21,.82,;-.05,-4.33,;-1.52,-4.81,;-1.52,-6.35,;-.05,-6.83,;.85,-5.58,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(N)c1)-c1nnc(C)[nH]1 |(-7.12,-.38,;-5.64,-.78,;-4.55,.31,;-3.06,-.09,;-2.58,-1.56,;-1.04,-1.56,;-.01,-2.7,;1.49,-2.38,;1.97,-.92,;.94,.23,;-.57,-.09,;-1.81,.81,;-1.81,2.35,;-.48,3.12,;-.48,4.66,;-1.81,5.43,;-3.15,4.66,;-4.48,5.43,;-4.48,6.97,;-5.81,4.66,;-5.81,3.12,;-4.48,2.35,;-3.71,1.02,;-3.15,3.12,;3.46,-.52,;3.86,.97,;5.34,1.37,;6.43,.28,;6.03,-1.21,;7.12,-2.3,;4.55,-1.61,;-.41,-4.19,;.49,-5.43,;-.41,-6.68,;-1.88,-6.2,;-3.21,-6.97,;-1.88,-4.66,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-6.78,-.53,;-5.29,-.93,;-4.2,.16,;-2.71,-.24,;-2.24,-1.7,;-.7,-1.7,;.33,-2.85,;1.84,-2.53,;2.32,-1.06,;1.28,.08,;-.22,-.24,;-1.47,.67,;-1.47,2.21,;-.13,2.98,;-.13,4.52,;-1.47,5.29,;-2.8,4.52,;-4.14,5.29,;-4.14,6.83,;-5.47,4.52,;-5.47,2.98,;-4.14,2.21,;-3.37,.87,;-2.8,2.98,;3.8,-.66,;4.89,-1.75,;6.38,-1.35,;6.78,.13,;5.69,1.22,;6.09,2.71,;4.2,.82,;-.07,-4.33,;.84,-5.58,;-.07,-6.83,;-1.53,-6.35,;-1.53,-4.81,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-7.02,-1.57,;-5.48,-1.57,;-4.71,-.24,;-3.17,-.24,;-2.69,-1.7,;-1.15,-1.7,;-.12,-2.85,;1.39,-2.53,;1.86,-1.06,;.83,.08,;-.67,-.24,;-1.92,.67,;-1.92,2.21,;-.59,2.98,;-.59,4.52,;-1.92,5.29,;-3.25,4.52,;-4.59,5.29,;-4.59,6.83,;-5.92,4.52,;-5.92,2.98,;-4.59,2.21,;-4.59,.67,;-3.25,2.98,;3.35,-.66,;3.75,.82,;5.24,1.22,;6.33,.13,;5.93,-1.35,;7.02,-2.44,;4.44,-1.75,;4.04,-3.24,;-.52,-4.33,;.39,-5.58,;-.52,-6.83,;-1.98,-6.35,;-1.98,-4.81,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)N1CCOCC1)-c1nnc(C)[nH]1 |(-6.82,.47,;-5.49,-.3,;-4.16,.47,;-2.67,.07,;-2.19,-1.4,;-.65,-1.4,;.38,-2.54,;1.88,-2.22,;2.36,-.76,;1.33,.39,;-.18,.07,;-1.42,.97,;-1.42,2.51,;-.09,3.28,;-.09,4.82,;-1.42,5.59,;-2.76,4.82,;-4.09,5.59,;-4.09,7.13,;-5.42,4.82,;-5.42,3.28,;-4.09,2.51,;-4.09,.97,;-2.76,3.28,;3.85,-.36,;4.94,-1.45,;6.42,-1.05,;6.82,.44,;5.73,1.53,;4.25,1.13,;-.02,-4.03,;.88,-5.27,;-.02,-6.52,;-1.48,-6.04,;-2.57,-7.13,;-1.48,-4.5,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)N1CCOCC1)-c1nnc[nH]1 |(-6.78,-.53,;-5.29,-.93,;-4.2,.16,;-2.71,-.24,;-2.24,-1.7,;-.7,-1.7,;.33,-2.85,;1.84,-2.53,;2.32,-1.06,;1.28,.08,;-.22,-.24,;-1.47,.67,;-1.47,2.21,;-.13,2.98,;-.13,4.52,;-1.47,5.29,;-2.8,4.52,;-4.14,5.29,;-4.14,6.83,;-5.47,4.52,;-5.47,2.98,;-4.14,2.21,;-4.14,.67,;-2.8,2.98,;3.8,-.66,;4.89,-1.75,;6.38,-1.35,;6.78,.13,;5.69,1.22,;4.2,.82,;-.07,-4.33,;.84,-5.58,;-.07,-6.83,;-1.53,-6.35,;-1.53,-4.81,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cnc(C)[nH]1 |(-6.8,-.3,;-5.31,-.7,;-4.22,.39,;-2.73,-.01,;-2.18,-1.45,;-.64,-1.37,;.45,-2.45,;1.93,-2.06,;2.33,-.57,;1.24,.52,;-.24,.12,;-1.53,.96,;-1.53,2.5,;-.2,3.27,;-.2,4.81,;-1.53,5.58,;-2.87,4.81,;-4.2,5.58,;-4.2,7.12,;-5.54,4.81,;-5.54,3.27,;-4.2,2.5,;-2.87,3.27,;3.82,-.17,;4.91,-1.26,;6.4,-.86,;6.8,.63,;5.71,1.72,;4.22,1.32,;.05,-3.94,;1.02,-5.14,;.18,-6.43,;-1.31,-6.03,;-2.4,-7.12,;-1.39,-4.49,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-6.8,-.3,;-5.31,-.7,;-4.22,.39,;-2.73,-.01,;-2.18,-1.45,;-.64,-1.37,;.45,-2.45,;1.93,-2.06,;2.33,-.57,;1.24,.52,;-.24,.12,;-1.53,.96,;-1.53,2.5,;-.2,3.27,;-.2,4.81,;-1.53,5.58,;-2.87,4.81,;-4.2,5.58,;-4.2,7.12,;-5.54,4.81,;-5.54,3.27,;-4.2,2.5,;-2.87,3.27,;3.82,-.17,;4.91,-1.26,;6.4,-.86,;6.8,.63,;5.71,1.72,;4.22,1.32,;.05,-3.94,;1.02,-5.14,;.18,-6.43,;-1.31,-6.03,;-2.4,-7.12,;-1.39,-4.49,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cnc[nH]1 |(-6.8,-.65,;-5.31,-1.04,;-4.22,.04,;-2.73,-.35,;-2.18,-1.79,;-.64,-1.71,;.45,-2.8,;1.93,-2.4,;2.33,-.91,;1.24,.18,;-.24,-.22,;-1.53,.62,;-1.53,2.16,;-.2,2.93,;-.2,4.47,;-1.53,5.24,;-2.87,4.47,;-4.2,5.24,;-4.2,6.78,;-5.54,4.47,;-5.54,2.93,;-4.2,2.16,;-2.87,2.93,;3.82,-.52,;4.91,-1.6,;6.4,-1.21,;6.8,.28,;5.71,1.37,;4.22,.97,;.05,-4.29,;1.02,-5.48,;.18,-6.78,;-1.31,-6.38,;-1.39,-4.84,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ncco1 |(-6.8,-.65,;-5.31,-1.04,;-4.22,.04,;-2.73,-.35,;-2.18,-1.79,;-.64,-1.71,;.45,-2.8,;1.93,-2.4,;2.33,-.91,;1.24,.18,;-.24,-.22,;-1.53,.62,;-1.53,2.16,;-.2,2.93,;-.2,4.47,;-1.53,5.24,;-2.87,4.47,;-4.2,5.24,;-4.2,6.78,;-5.54,4.47,;-5.54,2.93,;-4.2,2.16,;-2.87,2.93,;3.82,-.52,;4.91,-1.6,;6.4,-1.21,;6.8,.28,;5.71,1.37,;4.22,.97,;.05,-4.29,;1.02,-5.48,;.18,-6.78,;-1.31,-6.38,;-1.39,-4.84,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc(C)[nH]1 |(6.78,-.38,;5.29,-.78,;4.2,.31,;2.71,-.09,;2.24,-1.56,;.7,-1.56,;-.33,-2.7,;-1.84,-2.38,;-2.32,-.92,;-1.28,.23,;.22,-.09,;1.47,.81,;1.47,2.35,;2.8,3.12,;2.8,4.66,;1.47,5.43,;.13,4.66,;-1.2,5.43,;-1.2,6.97,;-2.53,4.66,;-2.53,3.12,;-1.2,2.35,;.13,3.12,;-3.8,-.52,;-4.89,-1.61,;-6.38,-1.21,;-6.78,.28,;-5.69,1.37,;-4.2,.97,;.07,-4.19,;-.84,-5.43,;.07,-6.68,;1.53,-6.2,;2.86,-6.97,;1.53,-4.66,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(6.78,-.61,;5.29,-1.01,;4.2,.08,;2.71,-.32,;2.24,-1.78,;.7,-1.78,;-.33,-2.93,;-1.84,-2.61,;-2.32,-1.14,;-1.28,0,;.22,-.32,;1.47,.59,;1.47,2.13,;2.8,2.9,;2.8,4.44,;1.47,5.21,;.13,4.44,;-1.2,5.21,;-1.2,6.75,;-2.53,4.44,;-2.53,2.9,;-1.2,2.13,;.13,2.9,;-3.8,-.74,;-4.2,.74,;-5.69,1.14,;-6.78,.05,;-6.38,-1.43,;-4.89,-1.83,;.44,-4.26,;-.4,-5.55,;.57,-6.75,;2.01,-6.2,;1.92,-4.66,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)c(F)ccc12)N1CCOCC1)-c1nnc[nH]1 |(-6.77,-.53,;-5.28,-.93,;-4.19,.16,;-2.7,-.24,;-2.23,-1.7,;-.69,-1.7,;.35,-2.85,;1.85,-2.53,;2.33,-1.06,;1.3,.08,;-.21,-.24,;-1.46,.67,;-1.46,2.21,;-.12,2.98,;-.12,4.52,;-1.46,5.29,;-2.79,4.52,;-4.12,5.29,;-4.12,6.83,;-5.46,4.52,;-6.79,5.29,;-5.46,2.98,;-4.12,2.21,;-2.79,2.98,;3.81,-.66,;4.9,-1.75,;6.39,-1.35,;6.79,.13,;5.7,1.22,;4.21,.82,;-.05,-4.33,;.85,-5.58,;-.05,-6.83,;-1.52,-6.35,;-1.52,-4.81,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)cc(F)cc12)N1CCOCC1)-c1nnc[nH]1 |(-6.77,-.53,;-5.28,-.93,;-4.19,.16,;-2.7,-.24,;-2.23,-1.7,;-.69,-1.7,;.35,-2.85,;1.85,-2.53,;2.33,-1.06,;1.3,.08,;-.21,-.24,;-1.46,.67,;-1.46,2.21,;-.12,2.98,;-.12,4.52,;-1.46,5.29,;-2.79,4.52,;-4.12,5.29,;-4.12,6.83,;-5.46,4.52,;-5.46,2.98,;-6.79,2.21,;-4.12,2.21,;-2.79,2.98,;3.81,-.66,;4.9,-1.75,;6.39,-1.35,;6.79,.13,;5.7,1.22,;4.21,.82,;-.05,-4.33,;.85,-5.58,;-.05,-6.83,;-1.52,-6.35,;-1.52,-4.81,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-7.12,-.53,;-5.64,-.93,;-4.55,.16,;-3.06,-.24,;-2.58,-1.7,;-1.04,-1.7,;-.01,-2.85,;1.49,-2.53,;1.97,-1.06,;.94,.08,;-.57,-.24,;-1.81,.67,;-1.81,2.21,;-.48,2.98,;-.48,4.52,;-1.81,5.29,;-3.15,4.52,;-4.48,5.29,;-4.48,6.83,;-5.81,4.52,;-5.81,2.98,;-4.48,2.21,;-3.71,.87,;-3.15,2.98,;3.46,-.66,;3.86,.82,;5.34,1.22,;6.43,.13,;6.03,-1.35,;7.12,-2.44,;4.55,-1.75,;-.41,-4.33,;.49,-5.58,;-.41,-6.83,;-1.88,-6.35,;-1.88,-4.81,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-7.02,-1.57,;-5.48,-1.57,;-4.71,-.24,;-3.17,-.24,;-2.69,-1.7,;-1.15,-1.7,;-.12,-2.85,;1.39,-2.53,;1.86,-1.06,;.83,.08,;-.67,-.24,;-1.92,.67,;-1.92,2.21,;-.59,2.98,;-.59,4.52,;-1.92,5.29,;-3.25,4.52,;-4.59,5.29,;-4.59,6.83,;-5.92,4.52,;-5.92,2.98,;-4.59,2.21,;-4.59,.67,;-3.25,2.98,;3.35,-.66,;3.75,.82,;5.24,1.22,;6.33,.13,;5.93,-1.35,;7.02,-2.44,;4.44,-1.75,;4.04,-3.24,;-.52,-4.33,;.39,-5.58,;-.52,-6.83,;-1.98,-6.35,;-1.98,-4.81,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)C(N)=O |(-7.02,-2.27,;-5.48,-2.27,;-4.71,-.94,;-3.17,-.94,;-2.69,-2.4,;-1.15,-2.4,;-.12,-3.55,;1.39,-3.23,;1.86,-1.76,;.83,-.62,;-.67,-.94,;-1.92,-.03,;-1.92,1.51,;-.59,2.28,;-.59,3.82,;-1.92,4.59,;-3.25,3.82,;-4.59,4.59,;-4.59,6.13,;-5.92,3.82,;-5.92,2.28,;-4.59,1.51,;-4.59,-.03,;-3.25,2.28,;3.35,-1.37,;3.75,.12,;5.24,.52,;6.33,-.57,;5.93,-2.06,;7.02,-3.14,;4.44,-2.45,;4.04,-3.94,;-.52,-5.04,;.57,-6.13,;-2.01,-5.43,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1ccn[nH]1 |(-6.43,-2.54,;-4.94,-2.14,;-4.55,-.66,;-3.06,-.26,;-2.58,-1.72,;-1.04,-1.72,;-.01,-2.87,;1.49,-2.55,;1.97,-1.08,;.94,.06,;-.57,-.26,;-1.81,.65,;-1.81,2.22,;-.48,2.99,;-.48,4.53,;-1.81,5.3,;-3.15,4.53,;-4.48,5.3,;-4.48,6.84,;-5.81,4.53,;-5.81,2.99,;-4.48,2.22,;-4.48,.68,;-3.15,2.99,;3.46,-.68,;4.55,-1.77,;6.03,-1.37,;6.43,.11,;5.34,1.2,;3.86,.81,;-.41,-4.35,;.49,-5.6,;-.41,-6.84,;-1.88,-6.37,;-1.88,-4.83,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1ccn[nH]1 |(-6.78,-.55,;-5.29,-.95,;-4.2,.14,;-2.71,-.26,;-2.24,-1.72,;-.7,-1.72,;.33,-2.87,;1.84,-2.55,;2.32,-1.08,;1.28,.06,;-.22,-.26,;-1.47,.65,;-1.47,2.22,;-.13,2.99,;-.13,4.53,;-1.47,5.3,;-2.8,4.53,;-4.14,5.3,;-4.14,6.84,;-5.47,4.53,;-5.47,2.99,;-4.14,2.22,;-4.14,.68,;-2.8,2.99,;3.8,-.68,;4.89,-1.77,;6.38,-1.37,;6.78,.11,;5.69,1.2,;4.2,.81,;-.07,-4.35,;.84,-5.6,;-.07,-6.84,;-1.53,-6.37,;-1.53,-4.83,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1cn[nH]c1 |(-6.43,-1.87,;-4.94,-1.48,;-4.55,.01,;-3.06,.41,;-2.58,-1.05,;-1.04,-1.05,;-.01,-2.2,;1.49,-1.88,;1.97,-.41,;.94,.73,;-.57,.41,;-1.81,1.32,;-1.81,2.89,;-.48,3.66,;-.48,5.2,;-1.81,5.97,;-3.15,5.2,;-4.48,5.97,;-4.48,7.51,;-5.81,5.2,;-5.81,3.66,;-4.48,2.89,;-4.48,1.35,;-3.15,3.66,;3.46,-.02,;4.55,-1.1,;6.03,-.71,;6.43,.78,;5.34,1.87,;3.86,1.47,;-.41,-3.69,;-1.88,-4.16,;-1.88,-5.7,;-.41,-6.18,;.49,-4.93,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-6.45,-2.29,;-4.96,-1.89,;-4.56,-.41,;-3.08,-.01,;-2.53,-1.45,;-.99,-1.37,;.1,-2.45,;1.59,-2.06,;1.99,-.57,;.9,.52,;-.59,.12,;-1.88,.96,;-1.88,2.5,;-.55,3.27,;-.55,4.81,;-1.88,5.58,;-3.21,4.81,;-4.55,5.58,;-4.55,7.12,;-5.88,4.81,;-5.88,3.27,;-4.55,2.5,;-4.55,.96,;-3.21,3.27,;3.48,-.17,;4.56,-1.26,;6.05,-.86,;6.45,.63,;5.36,1.72,;3.87,1.32,;-.3,-3.94,;.67,-5.14,;-.17,-6.43,;-1.65,-6.03,;-2.74,-7.12,;-1.73,-4.49,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nc(C)cs1 |(-6.8,-.3,;-5.31,-.7,;-4.22,.39,;-2.73,-.01,;-2.18,-1.45,;-.64,-1.37,;.45,-2.45,;1.93,-2.06,;2.33,-.57,;1.24,.52,;-.24,.12,;-1.53,.96,;-1.53,2.5,;-.2,3.27,;-.2,4.81,;-1.53,5.58,;-2.87,4.81,;-4.2,5.58,;-4.2,7.12,;-5.54,4.81,;-5.54,3.27,;-4.2,2.5,;-4.2,.96,;-2.87,3.27,;3.82,-.17,;4.91,-1.26,;6.4,-.86,;6.8,.63,;5.71,1.72,;4.22,1.32,;.05,-3.94,;-1.39,-4.49,;-1.31,-6.03,;-2.4,-7.12,;.18,-6.43,;1.02,-5.14,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1ncco1 |(-6.8,-.65,;-5.31,-1.04,;-4.22,.04,;-2.73,-.35,;-2.18,-1.79,;-.64,-1.71,;.45,-2.8,;1.93,-2.4,;2.33,-.91,;1.24,.18,;-.24,-.22,;-1.53,.62,;-1.53,2.16,;-.2,2.93,;-.2,4.47,;-1.53,5.24,;-2.87,4.47,;-4.2,5.24,;-4.2,6.78,;-5.54,4.47,;-5.54,2.93,;-4.2,2.16,;-4.2,.62,;-2.87,2.93,;3.82,-.52,;4.91,-1.6,;6.4,-1.21,;6.8,.28,;5.71,1.37,;4.22,.97,;.05,-4.29,;1.02,-5.48,;.18,-6.78,;-1.31,-6.38,;-1.39,-4.84,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nccs1 |(-6.8,-.06,;-5.31,.34,;-4.22,-.75,;-2.73,-.35,;-2.18,-1.79,;-.64,-1.71,;.45,-2.8,;1.93,-2.4,;2.33,-.91,;1.24,.18,;-.24,-.22,;-1.53,.62,;-1.53,2.16,;-.2,2.93,;-.2,4.47,;-1.53,5.24,;-2.87,4.47,;-4.2,5.24,;-4.2,6.78,;-5.54,4.47,;-5.54,2.93,;-4.2,2.16,;-4.2,.62,;-2.87,2.93,;3.82,-.52,;4.91,-1.6,;6.4,-1.21,;6.8,.28,;5.71,1.37,;4.22,.97,;.05,-4.29,;-1.39,-4.84,;-1.31,-6.38,;.18,-6.78,;1.02,-5.48,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nnc(C)[nH]1 |(-6.82,.47,;-5.49,-.3,;-4.16,.47,;-2.67,.07,;-2.19,-1.4,;-.65,-1.4,;.38,-2.54,;1.88,-2.22,;2.36,-.76,;1.33,.39,;-.18,.07,;-1.42,.97,;-1.42,2.51,;-.09,3.28,;-.09,4.82,;-1.42,5.59,;-2.76,4.82,;-4.09,5.59,;-4.09,7.13,;-5.42,4.82,;-5.42,3.28,;-4.09,2.51,;-4.09,.97,;-2.76,3.28,;3.85,-.36,;4.94,-1.45,;6.42,-1.05,;6.82,.44,;5.73,1.53,;4.25,1.13,;-.02,-4.03,;.88,-5.27,;-.02,-6.52,;-1.48,-6.04,;-2.57,-7.13,;-1.48,-4.5,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nnc(Cl)[nH]1 |(-6.82,-.7,;-5.33,-1.1,;-4.25,-.01,;-2.71,-.01,;-2.15,-1.45,;-.62,-1.37,;.47,-2.45,;1.96,-2.06,;2.36,-.57,;1.27,.52,;-.22,.12,;-1.51,.96,;-1.51,2.5,;-.17,3.27,;-.17,4.81,;-1.51,5.58,;-2.84,4.81,;-4.18,5.58,;-4.18,7.12,;-5.51,4.81,;-5.51,3.27,;-4.18,2.5,;-4.18,.96,;-2.84,3.27,;3.85,-.17,;4.94,-1.26,;6.42,-.86,;6.82,.63,;5.73,1.72,;4.25,1.32,;.07,-3.94,;1.04,-5.14,;.21,-6.43,;-1.28,-6.03,;-2.37,-7.12,;-1.36,-4.49,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nnc[nH]1 |(-6.78,-.53,;-5.29,-.93,;-4.2,.16,;-2.71,-.24,;-2.24,-1.7,;-.7,-1.7,;.33,-2.85,;1.84,-2.53,;2.32,-1.06,;1.28,.08,;-.22,-.24,;-1.47,.67,;-1.47,2.21,;-.13,2.98,;-.13,4.52,;-1.47,5.29,;-2.8,4.52,;-4.14,5.29,;-4.14,6.83,;-5.47,4.52,;-5.47,2.98,;-4.14,2.21,;-4.14,.67,;-2.8,2.98,;3.8,-.66,;4.89,-1.75,;6.38,-1.35,;6.78,.13,;5.69,1.22,;4.2,.82,;-.07,-4.33,;.84,-5.58,;-.07,-6.83,;-1.53,-6.35,;-1.53,-4.81,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-7.12,-.53,;-5.64,-.93,;-4.55,.16,;-3.06,-.24,;-2.58,-1.7,;-1.04,-1.7,;-.01,-2.85,;1.49,-2.53,;1.97,-1.06,;.94,.08,;-.57,-.24,;-1.81,.67,;-1.81,2.21,;-.48,2.98,;-.48,4.52,;-1.81,5.29,;-3.15,4.52,;-4.48,5.29,;-4.48,6.83,;-5.81,4.52,;-5.81,2.98,;-4.48,2.21,;-3.15,2.98,;3.46,-.66,;3.86,.82,;5.34,1.22,;6.43,.13,;6.03,-1.35,;7.12,-2.44,;4.55,-1.75,;4.15,-3.24,;-.41,-4.33,;.49,-5.58,;-.41,-6.83,;-1.88,-6.35,;-1.88,-4.81,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-6.8,-.3,;-5.31,-.7,;-4.22,.39,;-2.73,-.01,;-2.18,-1.45,;-.64,-1.37,;.45,-2.45,;1.93,-2.06,;2.33,-.57,;1.24,.52,;-.24,.12,;-1.53,.96,;-1.53,2.5,;-.2,3.27,;-.2,4.81,;-1.53,5.58,;-2.87,4.81,;-4.2,5.58,;-4.2,7.12,;-5.54,4.81,;-5.54,3.27,;-4.2,2.5,;-2.87,3.27,;3.82,-.17,;4.91,-1.26,;6.4,-.86,;6.8,.63,;5.71,1.72,;4.22,1.32,;.05,-3.94,;1.02,-5.14,;.18,-6.43,;-1.31,-6.03,;-2.4,-7.12,;-1.39,-4.49,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1ncco1 |(-6.8,-.65,;-5.31,-1.04,;-4.22,.04,;-2.73,-.35,;-2.18,-1.79,;-.64,-1.71,;.45,-2.8,;1.93,-2.4,;2.33,-.91,;1.24,.18,;-.24,-.22,;-1.53,.62,;-1.53,2.16,;-.2,2.93,;-.2,4.47,;-1.53,5.24,;-2.87,4.47,;-4.2,5.24,;-4.2,6.78,;-5.54,4.47,;-5.54,2.93,;-4.2,2.16,;-2.87,2.93,;3.82,-.52,;4.91,-1.6,;6.4,-1.21,;6.8,.28,;5.71,1.37,;4.22,.97,;.05,-4.29,;1.02,-5.48,;.18,-6.78,;-1.31,-6.38,;-1.39,-4.84,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-6.78,-.53,;-5.29,-.93,;-4.2,.16,;-2.71,-.24,;-2.24,-1.7,;-.7,-1.7,;.33,-2.85,;1.84,-2.53,;2.32,-1.06,;1.28,.08,;-.22,-.24,;-1.47,.67,;-1.47,2.21,;-.13,2.98,;-.13,4.52,;-1.47,5.29,;-2.8,4.52,;-4.14,5.29,;-4.14,6.83,;-5.47,4.52,;-5.47,2.98,;-4.14,2.21,;-2.8,2.98,;3.8,-.66,;4.89,-1.75,;6.38,-1.35,;6.78,.13,;5.69,1.22,;4.2,.82,;-.07,-4.33,;.84,-5.58,;-.07,-6.83,;-1.53,-6.35,;-1.53,-4.81,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-6.8,-.65,;-5.31,-1.04,;-4.22,.04,;-2.73,-.35,;-2.18,-1.79,;-.64,-1.71,;.45,-2.8,;1.93,-2.4,;2.33,-.91,;1.24,.18,;-.24,-.22,;-1.53,.62,;-1.53,2.16,;-.2,2.93,;-.2,4.47,;-1.53,5.24,;-2.87,4.47,;-4.2,5.24,;-4.2,6.78,;-5.54,4.47,;-5.54,2.93,;-4.2,2.16,;-2.87,2.93,;3.82,-.52,;4.91,-1.6,;6.4,-1.21,;6.8,.28,;5.71,1.37,;4.22,.97,;.05,-4.29,;1.02,-5.48,;.18,-6.78,;-1.31,-6.38,;-1.39,-4.84,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2cc(F)ccc12)N1CCOCC1)-c1nnc(C)[nH]1 |(-6.77,.55,;-5.28,.15,;-4.19,1.24,;-2.7,.84,;-2.23,-.63,;-.69,-.63,;.35,-1.77,;1.85,-1.45,;2.33,.01,;1.3,1.16,;-.21,.84,;-1.46,1.74,;-1.46,3.28,;-.12,4.05,;-.12,5.59,;-1.46,6.36,;-2.79,5.59,;-4.12,6.36,;-5.46,5.59,;-6.79,6.36,;-5.46,4.05,;-4.12,3.28,;-2.79,4.05,;3.81,.41,;4.9,-.68,;6.39,-.28,;6.79,1.21,;5.7,2.3,;4.21,1.9,;-.05,-3.26,;.85,-4.5,;-.05,-5.75,;-1.52,-5.27,;-2.61,-6.36,;-1.52,-3.73,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2cc(F)ccc12)N1CCOCC1)-c1nnc[nH]1 |(-6.77,.24,;-5.28,-.16,;-4.19,.93,;-2.7,.53,;-2.23,-.93,;-.69,-.93,;.35,-2.08,;1.85,-1.76,;2.33,-.29,;1.3,.85,;-.21,.53,;-1.46,1.44,;-1.46,2.98,;-.12,3.75,;-.12,5.29,;-1.46,6.06,;-2.79,5.29,;-4.12,6.06,;-5.46,5.29,;-6.79,6.06,;-5.46,3.75,;-4.12,2.98,;-2.79,3.75,;3.81,.11,;4.9,-.98,;6.39,-.58,;6.79,.9,;5.7,1.99,;4.21,1.59,;-.05,-3.56,;.85,-4.81,;-.05,-6.06,;-1.52,-5.58,;-1.52,-4.04,)|
CCCc1nc2c(cc(cc2n1-c1ccnc2ccccc12)N1CCOCC1)-c1nnc[nH]1 |(-6.78,.24,;-5.29,-.16,;-4.2,.93,;-2.71,.53,;-2.24,-.93,;-.7,-.93,;.33,-2.08,;1.84,-1.76,;2.32,-.29,;1.28,.85,;-.22,.53,;-1.47,1.44,;-1.47,2.98,;-.13,3.75,;-.13,5.29,;-1.47,6.06,;-2.8,5.29,;-4.14,6.06,;-5.47,5.29,;-5.47,3.75,;-4.14,2.98,;-2.8,3.75,;3.8,.1,;4.89,-.98,;6.38,-.59,;6.78,.9,;5.69,1.99,;4.2,1.59,;-.07,-3.57,;.77,-4.86,;-.2,-6.06,;-1.63,-5.5,;-1.55,-3.97,)|
CCN(CC)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCN(CC)CC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCN(CC)CCCNC(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CCN(CC)CCCNc1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCN(CC)CCCn1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
CCN(CC)CCNC(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CCN(CC)CCNc1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCN(CC)CCn1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
CCN(CC)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CCN1CCC(C1)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
CCN1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
CCN1CCN(C(=O)C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCN1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CCN1CCN(CC1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCN1CCN(CC1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CCN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCNC(=O)Nc1ccc(C)c(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r,wD:25.28,(8,2.7,;6.67,3.47,;5.33,2.7,;4,3.47,;4,5.01,;2.67,2.7,;1.33,3.47,;1.33,5,;,5.78,;-1.33,5,;-2.67,5.78,;-1.33,3.47,;,2.7,;-2.67,2.69,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-8,2.69,;-6.67,3.47,;-6.67,5,;-5.33,2.69,;-4,3.47,;-4,5,;-1.33,.38,;,1.15,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.93,;2.67,-3.47,;1.33,-4.23,;1.33,-5.78,;,-3.47,;-1.33,-4.23,;-2.67,-5,)|
CCNC(=O)Nc1ccc(Cl)c(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r,wD:25.28,(8,2.7,;6.67,3.47,;5.33,2.7,;4,3.47,;4,5.01,;2.67,2.7,;1.33,3.47,;1.33,5,;,5.78,;-1.33,5,;-2.67,5.78,;-1.33,3.47,;,2.7,;-2.67,2.69,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-8,2.69,;-6.67,3.47,;-6.67,5,;-5.33,2.69,;-4,3.47,;-4,5,;-1.33,.38,;,1.15,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.93,;2.67,-3.47,;1.33,-4.23,;1.33,-5.78,;,-3.47,;-1.33,-4.23,;-2.67,-5,)|
CCNC(=O)Nc1cccc(c1)-n1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2c(F)cccc2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cc(F)ccc2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2ccc(F)cc2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Br)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(C#N)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(C)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(CC=C)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc(N)c1C#N)[C@@H](C)CC |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc(N)c1[N+]([O-])=O)[C@@H](C)CC |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1C[C@H](F)CN1c1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)N(C)c1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(C)nc(N)n1 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#Cc1ccccn1 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C(O)=O |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc2scnc12 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnn2ccnc12 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Oc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Oc1ncnc2scnc12 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](COCc1ccccc1)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](COCc1ccccc1)Nc1ncnc2[nH]cnc12 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(F)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(OC)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(c2c1=O)C(F)(F)F)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2ccccc2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1Cl)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r,wD:25.28,(6,3.08,;4.67,3.85,;4.67,5.39,;3.33,6.16,;3.33,7.7,;2,5.39,;2,3.85,;3.33,3.08,;3.33,1.54,;2,.77,;.67,1.54,;.67,3.08,;-.67,3.85,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-6,-.77,;-6,.77,;-4.67,1.54,;-4.67,3.08,;-3.33,.77,;-2,1.54,;-2,3.08,;.67,-1.54,;2,-.77,;.67,-3.08,;2,-3.85,;3.33,-3.08,;4.67,-3.85,;4.67,-5.39,;3.33,-6.16,;3.33,-7.7,;2,-5.39,;.67,-6.16,;-.67,-6.93,)|
CCNC(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CCOC(=O)C(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
CCOC(=O)Cn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CCOC(=O)N1CCC(=CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |c:8,(-2.64,-1.93,;-2.64,-3.47,;-3.98,-4.23,;-5.31,-3.47,;-6.65,-4.23,;-5.31,-1.93,;-3.98,-1.15,;-3.98,.38,;-5.31,1.15,;-6.65,.38,;-6.65,-1.15,;-3.98,1.93,;-3.98,3.47,;-2.64,4.23,;-1.31,3.47,;.02,4.23,;1.36,3.47,;1.36,1.93,;.02,1.15,;-1.31,1.93,;-2.64,1.15,;2.69,1.15,;4.02,1.93,;5.36,1.15,;5.36,-.38,;6.5,-1.42,;5.88,-2.82,;6.65,-4.16,;4.34,-2.66,;4.02,-1.15,;2.69,-.38,)|
CCOC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCOC(=O)N1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
CCOCCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
CCS(=O)(=O)NCCn1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
CC[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r|
CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccc(F)cc2)CC1 |r|
CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1 |r|
CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C(F)F)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCC#N |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCCC#N |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCS(C)(=O)=O |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccc(F)cc2)CC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccc(OC)cc2)CC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(C(F)F)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CC[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
CC[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
CC[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
CC[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
CCc1c(C)nc2ccccc2c1-n1c(C)nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1 |(1.84,3.7,;.5,2.93,;-.83,3.7,;-.83,5.24,;.5,6.01,;-2.16,6.01,;-3.5,5.24,;-4.83,6.01,;-6.17,5.24,;-6.17,3.7,;-4.83,2.93,;-3.5,3.7,;-2.16,2.93,;-2.16,1.39,;-3.36,.42,;-4.85,.81,;-2.81,-1.02,;-1.27,-.94,;-.18,-2.03,;1.3,-1.63,;1.7,-.14,;.61,.95,;-.87,.55,;3.19,.25,;4.28,-.83,;5.77,-.44,;6.17,1.05,;5.08,2.14,;3.59,1.74,;-.58,-3.52,;.39,-4.71,;-.45,-6.01,;-1.94,-5.61,;-2.02,-4.07,)|
CCc1c(C)nc2ccccc2c1-n1cnc2c(cc(cc12)N1CCOCC1)-c1nc(C)n[nH]1 |(1.84,4.36,;.5,3.59,;-.83,4.36,;-.83,5.9,;.5,6.67,;-2.16,6.67,;-3.5,5.9,;-4.83,6.67,;-6.17,5.9,;-6.17,4.36,;-4.83,3.59,;-3.5,4.36,;-2.16,3.59,;-2.16,2.05,;-3.36,1.08,;-2.81,-.35,;-1.27,-.27,;-.18,-1.36,;1.3,-.96,;1.7,.52,;.61,1.61,;-.87,1.21,;3.19,.92,;4.28,-.17,;5.77,.23,;6.17,1.72,;5.08,2.81,;3.59,2.41,;-.58,-2.85,;.39,-4.05,;-.45,-5.34,;.32,-6.67,;-1.94,-4.94,;-2.02,-3.4,)|
CCc1c(C)nc2ccccc2c1-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1 |(1.84,3.7,;.5,2.93,;-.83,3.7,;-.83,5.24,;.5,6.01,;-2.16,6.01,;-3.5,5.24,;-4.83,6.01,;-6.17,5.24,;-6.17,3.7,;-4.83,2.93,;-3.5,3.7,;-2.16,2.93,;-2.16,1.39,;-3.36,.42,;-2.81,-1.02,;-1.27,-.94,;-.18,-2.03,;1.3,-1.63,;1.7,-.14,;.61,.95,;-.87,.55,;3.19,.25,;4.28,-.83,;5.77,-.44,;6.17,1.05,;5.08,2.14,;3.59,1.74,;-.58,-3.52,;.39,-4.71,;-.45,-6.01,;-1.94,-5.61,;-2.02,-4.07,)|
CCc1nc2c(F)cccc2c(c1C)-n1c(C)nc2c(cc(cc12)N1CCOCC1)-c1nc(C)n[nH]1 |(1.84,5.13,;.5,5.9,;-.83,5.13,;-2.16,5.9,;-3.5,5.13,;-4.83,5.9,;-4.83,7.44,;-6.17,5.13,;-6.17,3.59,;-4.83,2.82,;-3.5,3.59,;-2.16,2.82,;-.83,3.59,;.5,2.82,;-2.16,1.28,;-3.36,.31,;-4.85,.71,;-2.81,-1.12,;-1.27,-1.04,;-.18,-2.13,;1.3,-1.73,;1.7,-.25,;.61,.84,;-.87,.44,;3.19,.15,;4.28,-.94,;5.77,-.54,;6.17,.95,;5.08,2.04,;3.59,1.64,;-.58,-3.62,;.39,-4.82,;-.45,-6.11,;.32,-7.44,;-1.94,-5.71,;-2.02,-4.17,)|
CCc1nc2c(cc(cc2n1-c1c(C)cnc2c(cccc12)C#N)N1CCOCC1)-c1nnc[nH]1 |(-5.94,-1.72,;-4.86,-.63,;-3.37,-1.03,;-2.89,-2.49,;-1.35,-2.49,;-.32,-3.64,;1.18,-3.32,;1.66,-1.85,;.63,-.71,;-.88,-1.03,;-2.12,-.12,;-2.12,1.45,;-.79,2.22,;.55,1.45,;-.79,3.76,;-2.12,4.53,;-3.46,3.76,;-4.79,4.53,;-6.12,3.76,;-6.12,2.22,;-4.79,1.45,;-3.46,2.22,;-4.79,6.07,;-4.79,7.61,;3.15,-1.45,;4.24,-2.54,;5.72,-2.14,;6.12,-.66,;5.03,.43,;3.55,.04,;-.72,-5.12,;.18,-6.37,;-.72,-7.61,;-2.18,-7.14,;-2.18,-5.6,)|
CCc1nc2c(cc(cc2n1-c1c(Cl)cnc2c(Cl)cccc12)N1CCOCC1)-c1nnc(C)[nH]1 |(-5.94,-.62,;-4.86,.47,;-3.37,.07,;-2.89,-1.4,;-1.35,-1.4,;-.32,-2.54,;1.18,-2.22,;1.66,-.76,;.63,.39,;-.88,.07,;-2.12,.97,;-2.12,2.51,;-.79,3.28,;.55,2.51,;-.79,4.82,;-2.12,5.59,;-3.46,4.82,;-4.79,5.59,;-4.79,7.13,;-6.12,4.82,;-6.12,3.28,;-4.79,2.51,;-3.46,3.28,;3.15,-.36,;4.24,-1.45,;5.72,-1.05,;6.12,.44,;5.03,1.53,;3.55,1.13,;-.72,-4.03,;.18,-5.27,;-.72,-6.52,;-2.18,-6.04,;-3.27,-7.13,;-2.18,-4.5,)|
CCc1nc2c(cc(cc2n1-c1c(Cl)cnc2c(Cl)cccc12)N1CCOCC1)-c1nnc(C)[nH]1 |(-5.94,-.7,;-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;.5,2.5,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
CCc1nc2c(cc(cc2n1-c1c(Cl)cnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-5.94,-.93,;-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;.55,2.21,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
CCc1nc2c(cc(cc2n1-c1c(cnc2ccccc12)-c1nnc[nH]1)N1CCOCC1)-c1nnc[nH]1 |(-5.94,-.18,;-4.86,.91,;-3.37,.51,;-2.89,-.95,;-1.35,-.95,;-.32,-2.1,;1.18,-1.78,;1.66,-.31,;.63,.83,;-.88,.51,;-2.12,1.42,;-2.12,2.99,;-.79,3.76,;-.79,5.3,;-2.12,6.07,;-3.46,5.3,;-4.79,6.07,;-6.12,5.3,;-6.12,3.76,;-4.79,2.99,;-3.46,3.76,;.55,2.99,;.55,1.45,;2.01,.98,;2.91,2.22,;2.01,3.47,;3.15,.09,;4.24,-1,;5.72,-.6,;6.12,.88,;5.03,1.97,;3.55,1.58,;-.72,-3.58,;.18,-4.83,;-.72,-6.07,;-2.18,-5.6,;-2.18,-4.06,)|
CCc1nc2c(cc(cc2n1-c1cc(C)nc2c(Cl)ccc(Cl)c12)N1CCOCC1)-c1cnc[nH]1 |(-5.28,-2.31,;-4.51,-.98,;-2.97,-.98,;-2.07,-2.22,;-.6,-1.75,;.73,-2.52,;2.07,-1.75,;2.07,-.21,;.73,.56,;-.6,-.21,;-2.07,.27,;-2.07,1.81,;-.73,2.58,;-.73,4.12,;.6,4.89,;-2.07,4.89,;-3.4,4.12,;-4.73,4.89,;-4.73,6.43,;-6.07,4.12,;-6.07,2.58,;-4.73,1.81,;-4.73,.27,;-3.4,2.58,;3.4,.56,;4.73,-.21,;6.07,.56,;6.07,2.1,;4.73,2.87,;3.4,2.1,;.73,-4.06,;1.98,-4.96,;1.5,-6.43,;-.04,-6.43,;-.51,-4.96,)|
CCc1nc2c(cc(cc2n1-c1cc(C)nc2c(F)cccc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-5.94,-.7,;-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;.5,5.58,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
CCc1nc2c(cc(cc2n1-c1cc(C)nc2c(F)cccc12)N1CCOCC1)-c1cnc[nH]1 |(-5.94,-1.04,;-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;.5,5.24,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)c(F)ccc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-5.27,-.7,;-4.18,.39,;-2.69,-.01,;-2.14,-1.45,;-.6,-1.37,;.48,-2.45,;1.97,-2.06,;2.37,-.57,;1.28,.52,;-.21,.12,;-1.5,.96,;-1.5,2.5,;-.16,3.27,;-.16,4.81,;-1.5,5.58,;-2.83,4.81,;-4.17,5.58,;-4.17,7.12,;-5.5,4.81,;-6.83,5.58,;-5.5,3.27,;-4.17,2.5,;-2.83,3.27,;3.86,-.17,;4.95,-1.26,;6.43,-.86,;6.83,.63,;5.74,1.72,;4.26,1.32,;.09,-3.94,;1.05,-5.14,;.22,-6.43,;-1.27,-6.03,;-2.36,-7.12,;-1.35,-4.49,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)c(F)ccc12)N1CCOCC1)-c1ncco1 |(-5.27,-1.04,;-4.18,.04,;-2.69,-.35,;-2.14,-1.79,;-.6,-1.71,;.48,-2.8,;1.97,-2.4,;2.37,-.91,;1.28,.18,;-.21,-.22,;-1.5,.62,;-1.5,2.16,;-.16,2.93,;-.16,4.47,;-1.5,5.24,;-2.83,4.47,;-4.17,5.24,;-4.17,6.78,;-5.5,4.47,;-6.83,5.24,;-5.5,2.93,;-4.17,2.16,;-2.83,2.93,;3.86,-.52,;4.95,-1.6,;6.43,-1.21,;6.83,.28,;5.74,1.37,;4.26,.97,;.09,-4.29,;1.05,-5.48,;.22,-6.78,;-1.27,-6.38,;-1.35,-4.84,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)c(F)ccc12)N1CCOCC1)-c1nnc(Cl)[nH]1 |(-5.27,-.58,;-4.18,.51,;-2.69,.11,;-2.14,-1.33,;-.6,-1.25,;.48,-2.34,;1.97,-1.94,;2.37,-.45,;1.28,.64,;-.21,.24,;-1.5,1.08,;-1.5,2.62,;-.16,3.39,;-.16,4.93,;-1.5,5.7,;-2.83,4.93,;-4.17,5.7,;-4.17,7.24,;-5.5,4.93,;-6.83,5.7,;-5.5,3.39,;-4.17,2.62,;-2.83,3.39,;3.86,-.05,;4.95,-1.14,;6.43,-.74,;6.83,.75,;5.74,1.83,;4.26,1.44,;.09,-3.82,;1.28,-4.79,;.73,-6.23,;-.81,-6.15,;-1.9,-7.24,;-1.21,-4.66,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1c[nH]cn1 |(-5.94,-.26,;-4.86,.83,;-3.37,.43,;-2.89,-1.04,;-1.35,-1.04,;-.32,-2.18,;1.18,-1.86,;1.66,-.4,;.63,.75,;-.88,.43,;-2.12,1.33,;-2.12,2.87,;-.79,3.64,;-.79,5.18,;-2.12,5.95,;-3.46,5.18,;-4.79,5.95,;-4.79,7.49,;-6.12,5.18,;-6.12,3.64,;-4.79,2.87,;-3.46,3.64,;3.15,0,;4.24,-1.09,;5.72,-.69,;6.12,.8,;5.03,1.89,;3.55,1.49,;-.72,-3.67,;.18,-4.91,;-.72,-6.16,;-2.18,-5.68,;-2.18,-4.14,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cnc(C)[nH]1 |(-5.94,-.7,;-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-5.94,-.7,;-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ncco1 |(-5.94,-1.04,;-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc(C)[nH]1 |(-5.94,-.62,;-4.86,.47,;-3.37,.07,;-2.89,-1.4,;-1.35,-1.4,;-.32,-2.54,;1.18,-2.22,;1.66,-.76,;.63,.39,;-.88,.07,;-2.12,.97,;-2.12,2.51,;-.79,3.28,;-.79,4.82,;-2.12,5.59,;-3.46,4.82,;-4.79,5.59,;-4.79,7.13,;-6.12,4.82,;-6.12,3.28,;-4.79,2.51,;-3.46,3.28,;3.15,-.36,;4.24,-1.45,;5.72,-1.05,;6.12,.44,;5.03,1.53,;3.55,1.13,;-.72,-4.03,;.18,-5.27,;-.72,-6.52,;-2.18,-6.04,;-3.27,-7.13,;-2.18,-4.5,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(5.67,-.12,;4.9,1.22,;3.36,1.22,;2.46,2.46,;.99,1.99,;-.34,2.76,;-1.67,1.99,;-1.67,.45,;-.34,-.32,;.99,.45,;2.46,-.03,;2.86,-1.52,;4.35,-1.91,;4.74,-3.4,;3.65,-4.49,;2.17,-4.09,;1.08,-5.18,;1.48,-6.67,;-.41,-4.78,;-.81,-3.29,;.28,-2.21,;1.77,-2.6,;-3.01,-.32,;-4.34,.45,;-5.67,-.32,;-5.67,-1.86,;-4.34,-2.63,;-3.01,-1.86,;-.34,4.3,;-1.59,5.2,;-1.11,6.67,;.43,6.67,;.91,5.2,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(Cl)c12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-5.25,-1.89,;-4.85,-.41,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-4.83,.96,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(Cl)c12)N1CCOCC1)-c1nnc[nH]1 |(6.03,-1.01,;4.94,.08,;3.46,-.32,;2.98,-1.78,;1.44,-1.78,;.41,-2.93,;-1.1,-2.61,;-1.57,-1.14,;-.54,0,;.97,-.32,;2.21,.59,;2.21,2.13,;3.55,2.9,;3.55,4.44,;2.21,5.21,;.88,4.44,;-.46,5.21,;-.46,6.75,;-1.79,4.44,;-1.79,2.9,;-.46,2.13,;-.46,.59,;.88,2.9,;-3.06,-.74,;-3.46,.74,;-4.94,1.14,;-6.03,.05,;-5.64,-1.43,;-4.15,-1.83,;1.18,-4.26,;.34,-5.55,;1.31,-6.75,;2.75,-6.2,;2.67,-4.66,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-6.29,-.93,;-5.2,.16,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-4.36,.87,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-6.02,-1.57,;-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1cnc(C)[nH]1 |(-5.94,-.7,;-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-4.83,.96,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-5.94,-.7,;-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-4.83,.96,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1cnc[nH]1 |(-5.28,-2.31,;-4.51,-.98,;-2.97,-.98,;-2.07,-2.22,;-.6,-1.75,;.73,-2.52,;2.07,-1.75,;2.07,-.21,;.73,.56,;-.6,-.21,;-2.07,.27,;-2.07,1.81,;-.73,2.58,;-.73,4.12,;-2.07,4.89,;-3.4,4.12,;-4.73,4.89,;-4.73,6.43,;-6.07,4.12,;-6.07,2.58,;-4.73,1.81,;-4.73,.27,;-3.4,2.58,;3.4,.56,;4.73,-.21,;6.07,.56,;6.07,2.1,;4.73,2.87,;3.4,2.1,;.73,-4.06,;1.98,-4.96,;1.5,-6.43,;-.04,-6.43,;-.51,-4.96,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1cnn[nH]1 |(-5.68,-1.59,;-4.91,-.26,;-3.37,-.26,;-2.89,-1.72,;-1.35,-1.72,;-.32,-2.87,;1.18,-2.55,;1.66,-1.08,;.63,.06,;-.88,-.26,;-2.12,.65,;-2.12,2.22,;-.79,2.99,;-.79,4.53,;-2.12,5.3,;-3.46,4.53,;-4.79,5.3,;-4.79,6.84,;-6.12,4.53,;-6.12,2.99,;-4.79,2.22,;-4.79,.68,;-3.46,2.99,;3.15,-.68,;4.24,-1.77,;5.72,-1.37,;6.12,.11,;5.03,1.2,;3.55,.81,;-.72,-4.35,;.18,-5.6,;-.72,-6.84,;-2.18,-6.37,;-2.18,-4.83,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1ncc[nH]1 |(-5.94,-.95,;-4.86,.14,;-3.37,-.26,;-2.89,-1.72,;-1.35,-1.72,;-.32,-2.87,;1.18,-2.55,;1.66,-1.08,;.63,.06,;-.88,-.26,;-2.12,.65,;-2.12,2.22,;-.79,2.99,;-.79,4.53,;-2.12,5.3,;-3.46,4.53,;-4.79,5.3,;-4.79,6.84,;-6.12,4.53,;-6.12,2.99,;-4.79,2.22,;-4.79,.68,;-3.46,2.99,;3.15,-.68,;4.24,-1.77,;5.72,-1.37,;6.12,.11,;5.03,1.2,;3.55,.81,;-.72,-4.35,;.18,-5.6,;-.72,-6.84,;-2.18,-6.37,;-2.18,-4.83,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1ncco1 |(-5.25,-2.24,;-4.85,-.75,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-4.83,.62,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nnc(C)[nH]1 |(-5.94,-.8,;-4.86,.29,;-3.37,-.11,;-2.89,-1.57,;-1.35,-1.57,;-.32,-2.72,;1.18,-2.4,;1.66,-.93,;.63,.21,;-.88,-.11,;-2.12,.8,;-2.12,2.37,;-.79,3.14,;-.79,4.68,;-2.12,5.45,;-3.46,4.68,;-4.79,5.45,;-4.79,6.99,;-6.12,4.68,;-6.12,3.14,;-4.79,2.37,;-4.79,.83,;-3.46,3.14,;3.15,-.53,;4.24,-1.62,;5.72,-1.23,;6.12,.26,;5.03,1.35,;3.55,.95,;-.72,-4.21,;.18,-5.45,;-.72,-6.7,;-2.18,-6.22,;-3.52,-6.99,;-2.18,-4.68,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nnc(Cl)[nH]1 |(-5.94,-.7,;-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-4.83,.96,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nnc[nH]1 |(-5.94,-.93,;-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-5.94,-.7,;-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1cnc[nH]1 |(-5.94,-1.04,;-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1nc(C)cs1 |(-5.94,-.7,;-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;-2.02,-4.49,;-1.94,-6.03,;-3.03,-7.12,;-.45,-6.43,;.39,-5.14,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1ncco1 |(-5.94,-1.04,;-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
CCc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-5.94,-.93,;-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
CCc1nc2c(cc(cc2n1-c1ccnc2cc(F)ccc12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.62,-.16,;-4.53,.93,;-3.05,.53,;-2.57,-.93,;-1.03,-.93,;,-2.08,;1.51,-1.76,;1.98,-.29,;.95,.85,;-.55,.53,;-1.8,1.44,;-1.8,2.98,;-.47,3.75,;-.47,5.29,;-1.8,6.06,;-3.13,5.29,;-4.47,6.06,;-5.8,5.29,;-7.14,6.06,;-5.8,3.75,;-4.47,2.98,;-3.13,3.75,;3.47,.11,;3.87,1.59,;5.36,1.99,;6.44,.9,;6.05,-.58,;7.14,-1.67,;4.56,-.98,;-.4,-3.56,;.51,-4.81,;-.4,-6.06,;-1.86,-5.58,;-1.86,-4.04,)|
CCc1nc2c(cc(cc2n1-c1ccnc2cccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-6.29,-.16,;-5.2,.93,;-3.71,.53,;-3.24,-.93,;-1.7,-.93,;-.67,-2.08,;.84,-1.76,;1.32,-.29,;.28,.85,;-1.22,.53,;-2.47,1.44,;-2.47,2.98,;-1.13,3.75,;-1.13,5.29,;-2.47,6.06,;-3.8,5.29,;-5.13,6.06,;-6.47,5.29,;-6.47,3.75,;-5.13,2.98,;-5.13,1.62,;-3.8,3.75,;2.8,.11,;3.2,1.59,;4.69,1.99,;5.78,.9,;5.38,-.58,;6.47,-1.67,;3.89,-.98,;-1.07,-3.56,;-.16,-4.81,;-1.07,-6.06,;-2.53,-5.58,;-2.53,-4.04,)|
CCc1nc2c(cc(cc2n1-c1ccnc2cccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-6.02,-.8,;-5.25,.53,;-3.71,.53,;-3.24,-.93,;-1.7,-.93,;-.67,-2.08,;.84,-1.76,;1.32,-.29,;.28,.85,;-1.22,.53,;-2.47,1.44,;-2.47,2.98,;-1.13,3.75,;-1.13,5.29,;-2.47,6.06,;-3.8,5.29,;-5.13,6.06,;-6.47,5.29,;-6.47,3.75,;-5.13,2.98,;-5.13,1.44,;-3.8,3.75,;2.8,.11,;3.2,1.59,;4.69,1.99,;5.78,.9,;5.38,-.58,;6.47,-1.67,;3.89,-.98,;3.49,-2.47,;-1.07,-3.56,;-.16,-4.81,;-1.07,-6.06,;-2.53,-5.58,;-2.53,-4.04,)|
CCc1nc2c(cc(cc2n1-c1ccnc2ccccc12)N1CCOCC1)-c1nnc[nH]1 |(-5.94,-.16,;-4.86,.93,;-3.37,.53,;-2.89,-.93,;-1.35,-.93,;-.32,-2.08,;1.18,-1.76,;1.66,-.29,;.63,.85,;-.88,.53,;-2.12,1.44,;-2.12,2.98,;-.79,3.75,;-.79,5.29,;-2.12,6.06,;-3.46,5.29,;-4.79,6.06,;-6.12,5.29,;-6.12,3.75,;-4.79,2.98,;-3.46,3.75,;3.15,.11,;4.24,-.98,;5.72,-.58,;6.12,.9,;5.03,1.99,;3.55,1.59,;-.72,-3.56,;.18,-4.81,;-.72,-6.06,;-2.18,-5.58,;-2.18,-4.04,)|
CCc1nc2ccccc2c(c1C)-n1c(C)nc2c(cc(cc12)N1CCOCC1)-c1nc(C)n[nH]1 |(1.84,5.9,;.5,6.67,;-.83,5.9,;-2.16,6.67,;-3.5,5.9,;-4.83,6.67,;-6.17,5.9,;-6.17,4.36,;-4.83,3.59,;-3.5,4.36,;-2.16,3.59,;-.83,4.36,;.5,3.59,;-2.16,2.05,;-3.36,1.08,;-4.85,1.48,;-2.81,-.35,;-1.27,-.27,;-.18,-1.36,;1.3,-.96,;1.7,.52,;.61,1.61,;-.87,1.21,;3.19,.92,;4.28,-.17,;5.77,.23,;6.17,1.72,;5.08,2.81,;3.59,2.41,;-.58,-2.85,;.39,-4.05,;-.45,-5.34,;.32,-6.67,;-1.94,-4.94,;-2.02,-3.4,)|
CCc1nc2ccccc2c(c1C)-n1c(C)nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1 |(1.84,5.24,;.5,6.01,;-.83,5.24,;-2.16,6.01,;-3.5,5.24,;-4.83,6.01,;-6.17,5.24,;-6.17,3.7,;-4.83,2.93,;-3.5,3.7,;-2.16,2.93,;-.83,3.7,;.5,2.93,;-2.16,1.39,;-3.36,.42,;-4.85,.81,;-2.81,-1.02,;-1.27,-.94,;-.18,-2.03,;1.3,-1.63,;1.7,-.14,;.61,.95,;-.87,.55,;3.19,.25,;4.28,-.83,;5.77,-.44,;6.17,1.05,;5.08,2.14,;3.59,1.74,;-.58,-3.52,;.39,-4.71,;-.45,-6.01,;-1.94,-5.61,;-2.02,-4.07,)|
CCc1nc2ccccc2c(c1C)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1 |(1.84,5.24,;.5,6.01,;-.83,5.24,;-2.16,6.01,;-3.5,5.24,;-4.83,6.01,;-6.17,5.24,;-6.17,3.7,;-4.83,2.93,;-3.5,3.7,;-2.16,2.93,;-.83,3.7,;.5,2.93,;-2.16,1.39,;-3.36,.42,;-2.81,-1.02,;-1.27,-.94,;-.18,-2.03,;1.3,-1.63,;1.7,-.14,;.61,.95,;-.87,.55,;3.19,.25,;4.28,-.83,;5.77,-.44,;6.17,1.05,;5.08,2.14,;3.59,1.74,;-.58,-3.52,;.39,-4.71,;-.45,-6.01,;-1.94,-5.61,;-2.02,-4.07,)|
CCc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-4.76,-6.73,;-3.27,-7.13,;-2.18,-6.04,;-.72,-6.52,;.18,-5.27,;-.72,-4.03,;-2.18,-4.5,;-.32,-2.54,;1.18,-2.22,;1.66,-.76,;.63,.39,;-.88,.07,;-2.12,.97,;-3.37,.07,;-4.86,.47,;-2.89,-1.4,;-1.35,-1.4,;-2.12,2.51,;-.79,3.28,;-.79,4.82,;-2.12,5.59,;-3.46,4.82,;-4.79,5.59,;-4.79,7.13,;-6.12,4.82,;-6.12,3.28,;-4.79,2.51,;-3.46,3.28,;3.15,-.36,;4.24,-1.45,;5.72,-1.05,;6.12,.44,;5.03,1.53,;3.55,1.13,)|
CCn1cc(cn1)-c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
CCn1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
CN(C)C1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN(C)C1CCN(CC1)C(=O)c1nc2c(N3CCOCC3)c(F)c(nc2[nH]1)-c1cn(C)nc1C
CN(C)C1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN(C)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN(C)CC(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CN(C)CC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN(C)CCn1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
CN(C)[C@@H]1CCN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
CN(C)[C@H]1CCN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
CN(C)c1cccc(c1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(2.69,-6.22,;1.2,-6.62,;.8,-8.11,;.11,-5.53,;-1.38,-5.93,;-2.47,-4.84,;-2.07,-3.35,;-.58,-2.95,;.51,-4.04,;-.18,-1.47,;1.3,-1.07,;1.7,.42,;.61,1.51,;-.87,1.11,;-2.16,1.95,;-3.36,.98,;-4.85,1.38,;-2.81,-.46,;-1.27,-.38,;-2.16,3.49,;-.83,4.26,;-.83,5.8,;-2.16,6.57,;-3.5,5.8,;-4.83,6.57,;-4.83,8.11,;-6.17,5.8,;-6.17,4.26,;-4.83,3.49,;-3.5,4.26,;3.19,.82,;4.28,-.27,;5.77,.13,;6.17,1.61,;5.08,2.7,;3.59,2.3,)|
CN(C1CCN(C)CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN(C1CCN(C)CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN(C1CCN(C)CC1)c1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CN(C1CCN(CC1)C(C)=O)c1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CN(C1CCOCC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN(CCN1CCOCC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CC(C1)C(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CN1CC(C1)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CC(C1)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
CN1CC2CN(CC2C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CN1CCC(CC1)NC(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN1CCC(CC1)NC(=O)c1cnc2ccc(nn12)-c1ccc2oc(N)nc2c1
CN1CCC(CC1)Nc1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCC(CC1)Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CN1CCC(CC1)Nc1ncnc2ccc(nc12)-c1ccc2oc(N)nc2c1
CN1CCC(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
CN1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1cnc(Cl)c(NS(C)(=O)=O)c1
CN1CCCC1CCNC(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
CN1CCCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN1CCCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C(=O)c1c(C)nc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C(=O)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2nc(N)oc2c1
CN1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2nc(N)sc2c1
CN1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2sc(N)nc2c1
CN1CCN(CC1)C(=O)c1cnc2ccc(nn12)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C(=O)c1cnc2cnc(cn12)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C1CC(C1)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 |(3.02,-10.82,;2.62,-9.33,;1.06,-8.91,;.71,-7.39,;1.8,-6.3,;3.29,-6.7,;3.76,-8.19,;1.4,-4.81,;.07,-4.04,;.84,-2.71,;2.17,-3.48,;.44,-1.22,;1.35,.03,;.44,1.27,;.84,2.76,;-.06,4,;.84,5.25,;.52,6.76,;1.67,7.79,;1.27,9.27,;3.13,7.31,;3.45,5.8,;2.31,4.77,;2.31,3.23,;-1.02,.8,;-2.36,1.57,;-2.36,3.11,;-3.69,.8,;-3.69,-.74,;-2.36,-1.51,;-1.02,-.74,)|
CN1CCN(CC1)C1CCC(CC1)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 |w:7.7,(.56,-10.64,;.56,-9.1,;-.77,-8.33,;-.77,-6.79,;.56,-6.02,;1.9,-6.79,;1.9,-8.33,;.56,-4.48,;-.77,-3.71,;-.77,-2.17,;.56,-1.4,;1.9,-2.17,;1.9,-3.71,;.56,.14,;1.47,1.39,;.56,2.63,;.96,4.12,;.06,5.37,;.96,6.61,;.64,8.12,;1.79,9.15,;1.39,10.64,;3.25,8.67,;3.57,7.17,;2.43,6.14,;2.43,4.6,;-.9,2.16,;-2.24,2.93,;-2.24,4.47,;-3.57,2.16,;-3.57,.62,;-2.24,-.15,;-.9,.62,)|
CN1CCN(CC1)C1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)S(=O)(=O)c1cnc2ccc(cn12)-c1ccc(cc1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)[C@@H]1CCN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
CN1CCN(CC1)[C@H]1CCN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
CN1CCN(CC1)c1ccc2ncc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)c1ccnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2nc(N)oc2c1
CN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2nc(N)sc2c1
CN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2sc(N)nc2c1
CN1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)c1nc2cc(ccc2c(=O)n1C)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)c1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CN1CCN(CC1)n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
CN1CCN(CC1)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
CN1CCN(CC1=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1=O)C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1=O)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CCCn2cnc3ccc(cc3c2=O)-c2ccc3oc(N)nc3c2)CC1
CN1CCN(CCNC(=O)c2cnc3ccc(cn23)-c2ccc3oc(N)nc3c2)CC1
CN1CCN(CCNc2cnc3ccc(cc3n2)-c2ccc3oc(N)nc3c2)CC1
CN1CCN(CCn2cnc3ccc(cc3c2=O)-c2ccc3oc(N)nc3c2)CC1
CNC(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CNC(=O)CCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CNC(=O)CN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CNC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
CNCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CNCCCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(C)c1C#N |r|
CNCCCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
CNCCCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CNS(=O)(=O)CCn1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
CNS(=O)(=O)c1cc(ccc1OC)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CNS(=O)(=O)c1cccc(c1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CNS(=O)(=O)c1cncc(c1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CNc1cc(c(F)cn1)-c1cc(-c2nnc[nH]2)c2nc(C)n(-c3ccnc4c(F)ccc(F)c34)c2c1 |(6.07,-3.93,;6.47,-2.44,;5.38,-1.35,;3.89,-1.75,;2.8,-.66,;3.2,.82,;2.11,1.91,;4.69,1.22,;5.78,.13,;1.32,-1.06,;.84,-2.53,;-.67,-2.85,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,;-1.7,-1.7,;-3.24,-1.7,;-3.71,-.24,;-5.25,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;-1.22,-.24,;.28,.08,)|
CNc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CNc1nccc(-c2cc(-c3nnc[nH]3)c3nc(C)n(-c4ccnc5c(F)ccc(F)c45)c3c2)c1F |(6.07,-3.93,;6.47,-2.44,;5.38,-1.35,;5.78,.13,;4.69,1.22,;3.2,.82,;2.8,-.66,;1.32,-1.06,;.84,-2.53,;-.67,-2.85,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,;-1.7,-1.7,;-3.24,-1.7,;-3.71,-.24,;-5.25,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;-1.22,-.24,;.28,.08,;3.89,-1.75,;3.49,-3.24,)|
CNc1noc2cc(ccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CNc1nsc2cc(ccc12)-c1ccc2ncc(C(=O)N3CCOC[C@@H]3C)n2c1 |r|
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2oc(N)nc2c1)N1CCOCC1
COC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
COC(=O)Nc1noc2cc(ccc12)-c1nn(C(C)C)c2ncnc(N)c12
COC(=O)Nc1noc2ccc(cc12)-c1nn(C(C)C)c2ncnc(N)c12
COC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
COC(C)(C)CCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
COC(C)c1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-6.78,-.61,;-5.29,-1.01,;-4.2,.08,;-4.6,1.57,;-2.71,-.32,;-2.24,-1.78,;-.7,-1.78,;.33,-2.93,;1.84,-2.61,;2.32,-1.14,;1.28,0,;-.22,-.32,;-1.47,.59,;-1.47,2.13,;-.13,2.9,;-.13,4.44,;-1.47,5.21,;-2.8,4.44,;-4.14,5.21,;-4.14,6.75,;-5.47,4.44,;-5.47,2.9,;-4.14,2.13,;-2.8,2.9,;3.8,-.74,;4.89,-1.83,;6.38,-1.43,;6.78,.05,;5.69,1.14,;4.2,.74,;-.44,-4.26,;.4,-5.55,;-.57,-6.75,;-2.01,-6.2,;-1.92,-4.66,)|
COC1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
COCC(COC)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
COCCCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
COCCCn1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
COCCCn1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
COCCCn1c(nc2c(F)ccc(F)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
COCCCn1c(nc2c(F)ccc(F)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
COCCCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
COCCN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
COCCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)C(C)Oc1ncnc2scnc12
COCCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r|
COCCc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-7.32,-1.62,;-6.23,-.53,;-4.75,-.93,;-3.66,.16,;-2.17,-.24,;-1.69,-1.7,;-.15,-1.7,;.88,-2.85,;2.38,-2.53,;2.86,-1.06,;1.83,.08,;.32,-.24,;-.92,.67,;-.92,2.21,;.41,2.98,;.41,4.52,;-.92,5.29,;-2.26,4.52,;-3.59,5.29,;-3.59,6.83,;-4.92,4.52,;-4.92,2.98,;-3.59,2.21,;-2.26,2.98,;4.35,-.66,;5.44,-1.75,;6.92,-1.35,;7.32,.13,;6.23,1.22,;4.75,.82,;.48,-4.33,;1.38,-5.58,;.48,-6.83,;-.99,-6.35,;-.99,-4.81,)|
COCCc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-7.32,-1.62,;-6.23,-.53,;-4.75,-.93,;-3.66,.16,;-2.17,-.24,;-1.69,-1.7,;-.15,-1.7,;.88,-2.85,;2.38,-2.53,;2.86,-1.06,;1.83,.08,;.32,-.24,;-.92,.67,;-.92,2.21,;.41,2.98,;.41,4.52,;-.92,5.29,;-2.26,4.52,;-3.59,5.29,;-3.59,6.83,;-4.92,4.52,;-4.92,2.98,;-3.59,2.21,;-2.26,2.98,;4.35,-.67,;5.44,-1.75,;6.92,-1.36,;7.32,.13,;6.23,1.22,;4.75,.82,;.48,-4.34,;1.32,-5.63,;.35,-6.83,;-1.09,-6.27,;-1.01,-4.74,)|
COCCn1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
COC[C@H](C)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
CONC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CONC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Oc1ncnc2scnc12 |r|
CO[C@@H]1CCN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
CO[C@H]1CCN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
COc1cc(Cl)c2[nH]c(cc2c1)-c1nn(C2CCOCC2)c2ncnc(N)c12
COc1ccc(CN(Cc2ccc(OC)cc2)c2cc([C@H](C)NS(=O)C(C)(C)C)c(nn2)-c2ccccc2C)cc1 |r|
COc1ccc(CNc2n[nH]c3cc(ccc23)-c2ccc3oc(N)nc3c2)cc1
COc1ccc(Cl)c2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12
COc1ccc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ccc(cc1NS(C)(=O)=O)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ccc(cc1S(=O)(=O)Nc1ccccc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ccc2cc([nH]c2c1)-c1nn(C2CCOCC2)c2ncnc(N)c12
COc1cccc2cc([nH]c12)-c1nn(C(C)C)c2ncnc(N)c12
COc1cccc2cc([nH]c12)-c1nn(C2CCN(CC2)C(=O)C2CC2)c2ncnc(N)c12
COc1cccc2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12
COc1ccccc1-c1nn2c(Cl)cnc2cc1[C@H](C)Nc1ncnc(N)c1C#N |r|
COc1ccccc1-n1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r,wD:20.23,(-1.61,-5.96,;-.89,-4.6,;-1.92,-3.45,;-3.43,-3.77,;-4.46,-2.63,;-3.98,-1.17,;-2.48,-.85,;-1.45,-1.99,;.06,-1.67,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;-.49,.94,;-2,.62,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,)|
COc1ccccc1NC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
COc1nc(cnc1N)-c1ccc2oc(N)nc2c1
COc1ncc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)c2cn[nH]c12
COc1ncc(cc1N)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1cccc(F)c1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ncn(C3CCN(C)CC3)c(=O)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ncn(C3CCN(CC3)C(C)C)c(=O)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1F)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1cccnc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc(-c2ncc(CN3C[C@H](C)O[C@H](C)C3)o2)c2cn[nH]c2c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncn(C3CCN(C)CC3)c(=O)c2c1
COc1nccc(n1)-c1cc(-c2nnc[nH]2)c2nc(C)n(-c3ccnc4c(F)ccc(F)c34)c2c1 |(6.07,-3.93,;6.47,-2.44,;5.38,-1.35,;5.78,.13,;4.69,1.22,;3.2,.82,;2.8,-.66,;3.89,-1.75,;1.32,-1.06,;.84,-2.53,;-.67,-2.85,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,;-1.7,-1.7,;-3.24,-1.7,;-3.71,-.24,;-5.25,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;-1.22,-.24,;.28,.08,)|
CS(=O)(=O)CCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CS(=O)(=O)CCCn1c(nc2c(Cl)cc(F)cc2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CS(=O)(=O)CCCn1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CS(=O)(=O)CCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CS(=O)(=O)CCN1CCC(CC1)NC(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CS(=O)(=O)CCN1CCC(CC1)Nc1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CS(=O)(=O)CCN1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CS(=O)(=O)CCN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCC(CC1)Nc1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCN(CC1)C1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCN(CC1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCN(CC1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc3oc(N)nc3c2)CC1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)Nc1cc(ccc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CS(=O)(=O)Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
C[C@@H](N)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H](N)C(=O)N1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2nc1-c1ccccc1 |r|
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#Cc3cnn(C)c3)c2cc1-c1ccccc1 |r|
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1 |r|
C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@@H](Nc1ncnc2[nH]cc(C#N)c12)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@@H]1CCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1)C(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1)C1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1)C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1C)C1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1C)C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1C)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1COC(=O)N1c1cn2CCOc3cc(N[C@@H](C4CC4)C(N)=O)ccc3-c2n1 |r|
C[C@@H]1COC(=O)N1c1cn2CCOc3cc(N[C@@H](C4CCC4)C(N)=O)ccc3-c2n1 |r|
C[C@@H]1COCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1COCCN1C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1COCCN1c1cc(-c2nnc[nH]2)c2nc(C)n(-c3ccnc4c(Cl)cccc34)c2c1 |r,wD:1.0,(2.46,1.91,;3.55,.82,;5.03,1.22,;6.12,.13,;5.72,-1.35,;4.24,-1.75,;3.15,-.66,;1.66,-1.06,;1.18,-2.53,;-.32,-2.85,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,;-1.35,-1.7,;-2.89,-1.7,;-3.37,-.24,;-4.86,.16,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;-.88,-.24,;.63,.08,)|
C[C@@H]1COCCN1c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H](N)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H](N)C(=O)N1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H](NC(=O)c1c(N)ncn2ccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2c(C)ccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(-c3cnn(CC#N)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(-c3cnn(CC(F)(F)F)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2nc1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(CC(=O)C(C)(C)C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(CCc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(C)cc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(NS(C)(=O)=O)cc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(cc1)S(C)(=O)=O |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(C)c1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(NS(C)(=O)=O)c1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(O)c1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(c1)S(C)(=O)=O |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1C |r,wD:1.0,(-2,.62,;-.49,.94,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;.06,-1.67,;-1.45,-1.99,;-2.48,-.85,;-3.98,-1.17,;-4.46,-2.63,;-3.43,-3.77,;-1.92,-3.45,;-.89,-4.6,)|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1F |r,wD:1.0,(-2,.62,;-.49,.94,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;.06,-1.67,;-1.45,-1.99,;-2.48,-.85,;-3.98,-1.17,;-4.46,-2.63,;-3.43,-3.77,;-1.92,-3.45,;-.89,-4.6,)|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1NS(C)(=O)=O |r,wD:1.0,(-1.84,.63,;-.33,.95,;.14,2.41,;-.89,3.56,;-2.39,3.24,;-.41,5.02,;-1.32,6.27,;-2.86,6.27,;-.41,7.52,;1.05,7.04,;2.39,7.81,;3.72,7.04,;3.72,5.5,;2.39,4.73,;1.05,5.5,;.7,-.19,;2.2,.13,;3.23,-1.02,;4.74,-.7,;5.77,-1.84,;5.29,-3.31,;3.79,-3.63,;3.31,-5.09,;2.76,-2.48,;1.25,-2.8,;.78,-4.27,;.22,-1.66,;-1.29,-1.98,;-2.32,-.83,;-3.82,-1.16,;-4.3,-2.62,;-3.27,-3.76,;-1.76,-3.44,;-.73,-4.59,;-1.21,-6.05,;-1.68,-7.52,;-2.67,-5.58,;.26,-6.53,)|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1O |r,wD:1.0,(-2,.62,;-.49,.94,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;.06,-1.67,;-1.45,-1.99,;-2.48,-.85,;-3.98,-1.17,;-4.46,-2.63,;-3.43,-3.77,;-1.92,-3.45,;-.89,-4.6,)|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1C1CC(C1)NS(C)(=O)=O |r,wD:1.0,(-1.45,.19,;.06,.51,;.54,1.98,;-.49,3.12,;-2,2.8,;-.02,4.59,;-.92,5.83,;-2.46,5.83,;-.02,7.08,;1.45,6.6,;2.78,7.37,;4.11,6.6,;4.11,5.06,;2.78,4.29,;1.45,5.06,;1.09,-.63,;2.6,-.31,;3.63,-1.46,;5.13,-1.14,;6.16,-2.28,;5.69,-3.75,;4.18,-4.07,;3.71,-5.53,;3.15,-2.92,;1.64,-3.24,;1.17,-4.71,;.61,-2.1,;-.89,-2.42,;-1.73,-3.71,;-3.02,-2.87,;-2.18,-1.58,;-4.53,-3.19,;-5,-4.66,;-5.48,-6.12,;-6.47,-4.18,;-3.54,-5.13,)|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1C1CCC1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCC#C |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCNS(C)(=O)=O |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCS(C)(=O)=O |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCNS(=O)(=O)C(F)(F)F |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCNS(C)(=O)=O |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCS(=O)(=O)N(C)C |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCS(N)(=O)=O |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1c[nH]cn1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1cnn[nH]1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nc(C)no1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1ncn[nH]1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nnn(C)n1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nnn[nH]1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nnnn1C |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1noc(n1)C(C)(C)C |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1Cc1nnn[nH]1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(OCC(F)(F)F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(OCc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2c(C)cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2c(Cl)cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#Cc3cnn(C)c3)c2cc1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(CC(C)=O)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)c(F)c1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)cc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(N3CCOCC3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2ccccc2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1oc2ccc(F)cc2c(=O)c1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1 |r|
C[C@H](NC(=O)c1nc(Br)c(N)nc1N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](NC(=O)c1nc(C)c(C)nc1N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](NC(=O)c1nc(Cl)c(N)nc1N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](NC(=O)c1nc(Cl)cnc1N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](NC(=O)c1nc(cnc1N)C1CC1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1nccnc1N)c1cc2cccc(c2c(=O)n1-c1ccccc1)C(F)(F)F |r|
C[C@H](NC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)cc1 |r|
C[C@H](NC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](NC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](NC(=O)c1nccnc1N)c1oc2ccc(F)cc2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r|
C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C(N)=O |r|
C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1C1C2CNCC12 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN(C)Cc1ccccc1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1CCCNCC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCCNCC1 |r|
C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1[C@@H]1C[C@H](O)C1 |r,wU:26.28,28.31,wD:1.0,(2.67,1.38,;1.33,.61,;1.33,-.93,;2.67,-1.7,;4,-.93,;5.33,-1.7,;6.67,-.93,;5.33,-3.24,;4,-4.01,;4,-5.55,;2.67,-3.24,;1.33,-4.01,;,-4.78,;,1.38,;-1.33,.61,;-2.67,1.38,;-4,.61,;-4,-.93,;-5.33,1.38,;-5.33,2.92,;-6.67,3.69,;-4,3.69,;-2.67,2.92,;-1.33,3.69,;-1.33,5.23,;,2.92,;1.33,3.69,;2.82,3.29,;3.22,4.78,;4.55,5.55,;1.73,5.18,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1[C@H]1C[C@H](O)C1 |r,wU:26.28,wD:28.31,1.0,(2.67,1.38,;1.33,.61,;1.33,-.93,;2.67,-1.7,;4,-.93,;5.33,-1.7,;6.67,-.93,;5.33,-3.24,;4,-4.01,;4,-5.55,;2.67,-3.24,;1.33,-4.01,;,-4.78,;,1.38,;-1.33,.61,;-2.67,1.38,;-4,.61,;-4,-.93,;-5.33,1.38,;-5.33,2.92,;-6.67,3.69,;-4,3.69,;-2.67,2.92,;-1.33,3.69,;-1.33,5.23,;,2.92,;1.33,3.69,;1.73,5.18,;3.22,4.78,;4.55,5.55,;2.82,3.29,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1[C@@H]1C[C@H](O)C1 |r,wU:26.28,28.31,wD:1.0,(2,1.38,;.67,.61,;.67,-.93,;2,-1.7,;3.33,-.93,;4.67,-1.7,;6,-.93,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;-.67,-4.78,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;2.15,3.29,;2.55,4.78,;3.89,5.55,;1.07,5.18,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1[C@H]1C[C@H](O)C1 |r,wU:26.28,wD:28.31,1.0,(2,1.38,;.67,.61,;.67,-.93,;2,-1.7,;3.33,-.93,;4.67,-1.7,;6,-.93,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;-.67,-4.78,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;1.07,5.18,;2.55,4.78,;3.89,5.55,;2.15,3.29,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1C1C2CNCC12 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(F)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(cc(F)cc2c(=O)n1-c1cccc(c1)C(N)=O)C#N |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(C(N)=O)c1C |r,wD:1.0,(2,,;.67,-.77,;.67,-2.31,;2,-3.08,;3.33,-2.31,;4.67,-3.08,;6,-2.31,;4.67,-4.62,;3.33,-5.39,;3.33,-6.93,;2,-4.62,;.67,-5.39,;-.67,-6.16,;-.67,,;-2,-.77,;-3.33,,;-4.67,-.77,;-6,,;-6,1.54,;-4.67,2.31,;-4.67,3.85,;-3.33,1.54,;-2,2.31,;-2,3.85,;-.67,1.54,;.67,2.31,;2,1.54,;3.33,2.31,;3.33,3.85,;2,4.62,;2,6.16,;.67,6.93,;3.33,6.93,;.67,3.85,;-.67,4.62,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)(F)F)C1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(Cc2ccccc2)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1(F)F |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1C[C@@H]2CC[C@H](C1)N2C |r,THB:33:32:25.26.31:29.28|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCC#N |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCC(=O)N(C)C |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCC(O)CNC(C)(C)C |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCC#N |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN(C)CC(F)(F)F |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN(C)Cc1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN1CCOCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCNCc1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCNc1ccccn1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCNc1ncccn1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCS(C)(=O)=O |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCN(C)C |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCN1CCCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCc1ccn[nH]1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@@H]1CCCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@@H]1CCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@H]1CCCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@H]1CCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1Cc1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1Cc1cn[nH]c1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1Cc1nc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1Cc1ncc[nH]1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N(C)CCN |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N(CCN)Cc1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCC(N)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(C)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(C)(C)C)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC1)C1COC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CCOC(C)(C)C)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNC(C1)C(F)(F)F |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNC2(CC2)C1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1CCCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1CCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1C[C@H](O)C1 |r,wU:25.27,27.30,wD:1.0,(2,1.38,;.67,.61,;.67,-.93,;2,-1.7,;3.33,-.93,;4.67,-1.7,;6,-.93,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;-.67,-4.78,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;2.15,3.29,;2.55,4.78,;3.89,5.55,;1.07,5.18,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1[C@H]2CNC[C@@H]12 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCOC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(cccc2c(=O)n1-c1cccc(c1)C(N)=O)C#N |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1CCCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1C[C@H](O)C1 |r,wU:24.26,26.29,wD:1.0,(2,1.38,;.67,.61,;.67,-.93,;2,-1.7,;3.33,-.93,;4.67,-1.7,;6,-.93,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;2.15,3.29,;2.55,4.78,;3.89,5.55,;1.07,5.18,)|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCCNCC1 |r|
C[C@H](Nc1ncnc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](Nc1ncnc(N)c1-c1nn[nH]n1)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1C1CNC1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2nc(C)c(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cc(C)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cc(F)cc(Cl)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccc(O)cc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(Cl)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(F)c1F |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)C(F)(F)F |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)S(C)(=O)=O |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1C
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1C(F)(F)F |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1S(C)(=O)=O |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccnc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccsc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cnn(C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2c(Cl)cccc2c(=O)n1-c1cccc(NC(=O)NCCCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2c(F)cccc2c(=O)n1-c1cccc(NC(=O)NCCCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C)c2c(=O)n1CCCN |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC(C)(C)C(O)=O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC(C)(C)C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC(C)(C)CCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC(C)(C)CO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC2(CC2)C(F)(F)F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC2CC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC2CCC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC2CCCC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC2CCCCC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC(C)(C)CO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC(F)(F)F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCC(C)(C)O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCC(O)=O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCF)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCN(C)C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NS(=O)(=O)C2CC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NS(=O)(=O)C2CCCC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2c(Cl)cccc2Cl)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2cc(on2)C(C)(C)C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccc(F)cc2F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C#N)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C(O)=O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2Cl)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2OCCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2S(C)(=O)=O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2S(O)(=O)=O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2cccnc2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccncc2Cl)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2nnn[nH]2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(N)=O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCCNC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(C)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC1)C1CCN(C)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CC1CCCCN1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CC1CCCN1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CC1CCCNC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CC1CCNC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CC1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CC1CNCCO1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCC(C)(C)N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCCN |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN(C)C |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN1CCCCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN1CCN(C)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCNC(C)=O |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCNCc1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCO |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCN |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCN1CCCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCN1CCN(C)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@@H](O)CO |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@H](O)CO |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1Cc1cc[nH]n1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N(C)CCN |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N(CCN)Cc1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCC(N)C1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCC(N)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(C)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNC(C1)C(F)(F)F |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNC2(CC2)C1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1C[C@H](O)C1 |r,wU:24.26,26.29,wD:1.0,(2.67,1.38,;1.33,.61,;1.33,-.93,;2.67,-1.7,;4,-.93,;5.33,-1.7,;5.33,-3.24,;4,-4.01,;4,-5.55,;2.67,-3.24,;1.33,-4.01,;,-4.78,;,1.38,;-1.33,.61,;-2.67,1.38,;-4,.61,;-5.33,1.38,;-5.33,2.92,;-4,3.69,;-4,5.23,;-2.67,2.92,;-1.33,3.69,;-1.33,5.23,;,2.92,;1.33,3.69,;2.82,3.29,;3.22,4.78,;4.55,5.55,;1.73,5.18,)|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:1.0,27.30,(2.67,1.15,;1.33,.38,;1.33,-1.16,;2.67,-1.93,;4,-1.16,;5.33,-1.93,;5.33,-3.47,;4,-4.24,;4,-5.78,;2.67,-3.47,;1.33,-4.24,;,-5.01,;,1.15,;-1.33,.38,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-5.33,2.69,;-4,3.46,;-4,5,;-2.67,2.69,;-1.33,3.46,;-1.33,5,;,2.69,;1.33,3.46,;1.33,5,;2.67,5.77,;4,5,;5.33,5.78,;4,3.46,;2.67,2.69,)|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1C[C@H](N)C1 |r,wU:24.26,wD:1.0,26.29,(2.67,1.38,;1.33,.61,;1.33,-.93,;2.67,-1.7,;4,-.93,;5.33,-1.7,;5.33,-3.24,;4,-4.01,;4,-5.55,;2.67,-3.24,;1.33,-4.01,;,-4.78,;,1.38,;-1.33,.61,;-2.67,1.38,;-4,.61,;-5.33,1.38,;-5.33,2.92,;-4,3.69,;-4,5.23,;-2.67,2.92,;-1.33,3.69,;-1.33,5.23,;,2.92,;1.33,3.69,;1.73,5.18,;3.22,4.78,;4.55,5.55,;2.82,3.29,)|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2Cl)c1 |r|
C[C@H](Nc1ncnc(N)c1C(=O)NNC(C)=O)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1Cl)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](Nc1ncnc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2[nH]cc(Br)c12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2[nH]cc(C#N)c12)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ncc(Cl)n2nc1-c1ccccc1F |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2c(Cl)cccc2Cl)c1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2S(C)(=O)=O)c1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccncc2Cl)c1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(N)=O)c1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1C1CCN(C)CC1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1CCCN1CCOCC1 |r|
C[C@H](Nc1ncnc2ccc(Cl)nc12)c1nc2c(Cl)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2ccc(Cl)nc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2cccnc12)c1nc2cccc(Cl)c2c(=O)n1C1CCCNCC1 |r|
C[C@H](Nc1ncnc2cccnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2ccoc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2scc(Cl)c12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2c(Cl)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NS(=O)(=O)C2CCCC2)c1 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1CCC(C)(C)N |r|
C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2c(F)ccc(F)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1C1CCCNCC1 |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1Cc1cc[nH]n1 |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1N(C)CCN |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCCNCC1 |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC2(CC2)C(F)(F)F)c1 |r|
C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC(F)(F)C(F)(F)F)c1 |r|
C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC(F)F)c1 |r|
C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC2OCCO2)c1 |r|
C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCO)c1 |r|
C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2cc(no2)C(F)(F)F)c1 |r|
C[C@H]1CCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCCNC(=O)c2nc3c(nc(nc3[nH]2)-c2cnn(C)c2)N2CCOCC2)C[C@@H](C)O1
C[C@H]1CN(CCN1)C(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1)C1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1)C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(-c3ccc4oc(N)nc4c3)c(C)c2n1 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1cc2nc(N)oc2cc1C |r|
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2nc(N)oc2c1 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2nc(N)sc2c1 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2sc(N)nc2c1 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1cccc2c(N)noc12 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1cccc2c(N)nsc12 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1cccc2nc(N)oc12 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1)c1cnc2cccc(-c3ccc4nc(N)oc4c3)c2n1 |r|
C[C@H]1CN(CCN1)c1cnc2cccc(-c3ccc4oc(N)nc4c3)c2n1 |r|
C[C@H]1CN(CCN1)c1cnc2scc(-c3ccc4oc(N)nc4c3)c2c1 |r|
C[C@H]1CN(CCN1)c1nc2cc(ccc2nc1N)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1C)C1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1C)C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1C)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1C)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(C[C@@H](C)O1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1nc2c(cc(nc2[nH]1)-c1cn(C)nc1C)N1CCOCC1
C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cn[nH]c1)N1CCOCC1
C[C@H]1CN(C[C@@H](C)O1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1COCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1COCCN1C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1COCCN1c1cc(-c2nnc[nH]2)c2nc(C)n(-c3ccnc4c(Cl)cccc34)c2c1 |r,wU:1.0,(2.46,1.91,;3.55,.82,;5.03,1.22,;6.12,.13,;5.72,-1.35,;4.24,-1.75,;3.15,-.66,;1.66,-1.06,;1.18,-2.53,;-.32,-2.85,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,;-1.35,-1.7,;-2.89,-1.7,;-3.37,-.24,;-4.86,.16,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;-.88,-.24,;.63,.08,)|
C[C@H]1COCCN1c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
Cc1c(ccc2ncc(C(=O)N3CCOCC3)n12)-c1ccc2oc(N)nc2c1
Cc1c(ccc2ncc(nc12)N1CC(C1)N1CCNCC1)-c1ccc2oc(N)nc2c1
Cc1c(ccc2ncc(nc12)N1CC(C1)N1CCOCC1)-c1ccc2oc(N)nc2c1
Cc1c(ccc2oc(N)nc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Cc1c(ccc2oc(N)nc12)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
Cc1c[nH]c(n1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-2.56,-7.24,;-1.47,-6.15,;.06,-6.23,;.62,-4.79,;-.58,-3.82,;-1.87,-4.66,;-.18,-2.34,;1.3,-1.94,;1.7,-.45,;.61,.64,;-.87,.24,;-2.16,1.08,;-3.36,.11,;-4.85,.51,;-2.81,-1.33,;-1.27,-1.25,;-2.16,2.62,;-.83,3.39,;-.83,4.93,;-2.16,5.7,;-3.5,4.93,;-4.83,5.7,;-4.83,7.24,;-6.17,4.93,;-6.17,3.39,;-4.83,2.62,;-3.5,3.39,;3.19,-.05,;4.28,-1.14,;5.77,-.74,;6.17,.75,;5.08,1.83,;3.59,1.44,)|
Cc1cc(-n2cnc3c(cc(cc23)N2CCOCC2)-c2cnc[nH]2)c2c(Cl)ccc(Cl)c2n1
Cc1cc(cc2c(cnn12)-c1ccncc1)-c1ccc2oc(N)nc2c1
Cc1cc(cc2c(cnn12)C(=O)N1CCCC1)-c1ccc2oc(N)nc2c1
Cc1cc(cc2c(cnn12)C(=O)N1CCOCC1)-c1ccc2oc(N)nc2c1
Cc1cc(cc2nc(N)oc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Cc1cc(cc2nc(N)oc12)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
Cc1cc(cn2c(cnc12)C(=O)N1CCOCC1)-c1ccc2nc(N)oc2c1
Cc1cc(cn2c(cnc12)C(=O)N1CCOCC1)-c1ccc2oc(N)nc2c1
Cc1cc(n[nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-3.03,-6.8,;-1.94,-5.71,;-2.02,-4.17,;-.58,-3.62,;.39,-4.82,;-.45,-6.11,;-.18,-2.13,;1.3,-1.73,;1.7,-.25,;.61,.84,;-.87,.44,;-2.16,1.28,;-3.36,.31,;-4.85,.71,;-2.81,-1.12,;-1.27,-1.04,;-2.16,2.82,;-.83,3.59,;-.83,5.13,;-2.16,5.9,;-3.5,5.13,;-4.83,5.9,;-4.83,7.44,;-6.17,5.13,;-6.17,3.59,;-4.83,2.82,;-3.5,3.59,;3.19,.15,;4.28,-.94,;5.77,-.54,;6.17,.95,;5.08,2.04,;3.59,1.64,)|
Cc1cc2ncc(C(=O)N3CCOCC3)n2cc1-c1ccc2oc(N)nc2c1
Cc1cc2oc(N)nc2cc1-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Cc1cc2oc(N)nc2cc1-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
Cc1ccc(NC(=O)c2cnc3ccc(cn23)-c2ccc3oc(N)nc3c2)cn1
Cc1ccc(cn1)-c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1cccc2nccc(-n3cnc4c(cc(cc34)N3CCOCC3)-c3nnc[nH]3)c12
Cc1ccn(n1)C1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Cc1ccn(n1)C1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1ccn(n1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1cn(cn1)-c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1cn(cn1)C1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1cn(cn1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1cnc(s1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-3.03,-7.12,;-1.94,-6.03,;-.45,-6.43,;.39,-5.14,;-.58,-3.94,;-2.02,-4.49,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-3.36,-.01,;-4.85,.39,;-2.81,-1.45,;-1.27,-1.37,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,)|
Cc1csc(n1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)ccc(F)c12)N1CCOCC1 |(-3.03,-7.12,;-1.94,-6.03,;-.45,-6.43,;.39,-5.14,;-.58,-3.94,;-2.02,-4.49,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-3.36,-.01,;-4.85,.39,;-2.81,-1.45,;-1.27,-1.37,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-4.83,.96,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,)|
Cc1csc(n1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-3.03,-7.12,;-1.94,-6.03,;-.45,-6.43,;.39,-5.14,;-.58,-3.94,;-2.02,-4.49,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-3.36,-.01,;-4.85,.39,;-2.81,-1.45,;-1.27,-1.37,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,)|
Cc1csc(n1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(F)ccc(F)c12)N1CCOCC1 |(-3.03,-7.12,;-1.94,-6.03,;-.45,-6.43,;.39,-5.14,;-.58,-3.94,;-2.02,-4.49,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-3.36,-.01,;-4.85,.39,;-2.81,-1.45,;-1.27,-1.37,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-4.83,.96,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,)|
Cc1csc(n1)-c1cc(cc2n(c(nc12)C1CC1)-c1ccnc2c(Cl)ccc(F)c12)N1CCOCC1 |(-2.94,-7.12,;-1.85,-6.03,;-.37,-6.43,;.47,-5.14,;-.5,-3.94,;-1.93,-4.49,;-.1,-2.45,;1.39,-2.06,;1.79,-.57,;.7,.52,;-.79,.12,;-2.08,.96,;-3.28,-.01,;-2.72,-1.45,;-1.19,-1.37,;-4.76,-.41,;-6.25,-.01,;-5.85,-1.5,;-2.08,2.5,;-.75,3.27,;-.75,4.81,;-2.08,5.58,;-3.41,4.81,;-4.75,5.58,;-4.75,7.12,;-6.08,4.81,;-6.08,3.27,;-4.75,2.5,;-4.75,.96,;-3.41,3.27,;3.28,-.17,;4.37,-1.26,;5.85,-.86,;6.25,.63,;5.16,1.72,;3.67,1.32,)|
Cc1csc(n1)-c1cc(cc2n(c(nc12)C1CC1)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-2.94,-7.12,;-1.85,-6.03,;-.37,-6.43,;.47,-5.14,;-.5,-3.94,;-1.93,-4.49,;-.1,-2.45,;1.39,-2.06,;1.79,-.57,;.7,.52,;-.79,.12,;-2.08,.96,;-3.28,-.01,;-2.72,-1.45,;-1.19,-1.37,;-4.76,.39,;-5.85,1.48,;-6.25,-.01,;-2.08,2.5,;-.75,3.27,;-.75,4.81,;-2.08,5.58,;-3.41,4.81,;-4.75,5.58,;-4.75,7.12,;-6.08,4.81,;-6.08,3.27,;-4.75,2.5,;-3.41,3.27,;3.28,-.17,;4.37,-1.26,;5.85,-.86,;6.25,.63,;5.16,1.72,;3.67,1.32,)|
Cc1csc(n1)-c1cc(cc2n(c(nc12)C1CC1)-c1ccnc2c(F)ccc(F)c12)N1CCOCC1 |(-2.94,-7.12,;-1.85,-6.03,;-.37,-6.43,;.47,-5.14,;-.5,-3.94,;-1.93,-4.49,;-.1,-2.45,;1.39,-2.06,;1.79,-.57,;.7,.52,;-.79,.12,;-2.08,.96,;-3.28,-.01,;-2.72,-1.45,;-1.19,-1.37,;-4.76,-.41,;-6.25,-.01,;-5.85,-1.5,;-2.08,2.5,;-.75,3.27,;-.75,4.81,;-2.08,5.58,;-3.41,4.81,;-4.75,5.58,;-4.75,7.12,;-6.08,4.81,;-6.08,3.27,;-4.75,2.5,;-4.75,.96,;-3.41,3.27,;3.28,-.17,;4.37,-1.26,;5.85,-.86,;6.25,.63,;5.16,1.72,;3.67,1.32,)|
Cc1n[nH]c(n1)-c1cc(cc2n(c(C)nc12)-c1c(C)cnc2c(Cl)cccc12)N1CCOCC1 |(.32,-7.44,;-.45,-6.11,;-1.94,-5.71,;-2.02,-4.17,;-.58,-3.62,;.39,-4.82,;-.18,-2.13,;1.3,-1.73,;1.7,-.25,;.61,.84,;-.87,.44,;-2.16,1.28,;-3.36,.31,;-4.85,.71,;-2.81,-1.12,;-1.27,-1.04,;-2.16,2.82,;-.83,3.59,;.5,2.82,;-.83,5.13,;-2.16,5.9,;-3.5,5.13,;-4.83,5.9,;-4.83,7.44,;-6.17,5.13,;-6.17,3.59,;-4.83,2.82,;-3.5,3.59,;3.19,.15,;4.28,-.94,;5.77,-.54,;6.17,.95,;5.08,2.04,;3.59,1.64,)|
Cc1n[nH]c(n1)-c1cc(cc2n(c(C)nc12)-c1c(C)cnc2ccccc12)N1CCOCC1 |(.32,-6.67,;-.45,-5.34,;-1.94,-4.94,;-2.02,-3.4,;-.58,-2.85,;.39,-4.05,;-.18,-1.36,;1.3,-.96,;1.7,.52,;.61,1.61,;-.87,1.21,;-2.16,2.05,;-3.36,1.08,;-4.85,1.48,;-2.81,-.35,;-1.27,-.27,;-2.16,3.59,;-.83,4.36,;.5,3.59,;-.83,5.9,;-2.16,6.67,;-3.5,5.9,;-4.83,6.67,;-6.17,5.9,;-6.17,4.36,;-4.83,3.59,;-3.5,4.36,;3.19,.92,;4.28,-.17,;5.77,.23,;6.17,1.72,;5.08,2.81,;3.59,2.41,)|
Cc1n[nH]c(n1)-c1cc(cc2n(c(C)nc12)-c1cc(C)nc2c(cccc12)C(F)(F)F)N1CCOCC1 |(.32,-8.21,;-.45,-6.88,;-1.94,-6.48,;-2.02,-4.94,;-.58,-4.39,;.39,-5.59,;-.18,-2.9,;1.3,-2.5,;1.7,-1.02,;.61,.07,;-.87,-.33,;-2.16,.51,;-3.36,-.46,;-4.85,-.06,;-2.81,-1.89,;-1.27,-1.81,;-2.16,2.05,;-.83,2.82,;-.83,4.36,;.5,5.13,;-2.16,5.13,;-3.5,4.36,;-4.83,5.13,;-6.17,4.36,;-6.17,2.82,;-4.83,2.05,;-3.5,2.82,;-4.83,6.67,;-6.17,7.44,;-3.5,7.44,;-4.83,8.21,;3.19,-.62,;4.28,-1.71,;5.77,-1.31,;6.17,.18,;5.08,1.27,;3.59,.87,)|
Cc1n[nH]c(n1)-c1cc(cc2n(c(C)nc12)-c1cc(C)nc2cc(F)ccc12)N1CCOCC1 |(.99,-6.67,;.22,-5.34,;-1.27,-4.94,;-1.35,-3.4,;.09,-2.85,;1.05,-4.05,;.48,-1.36,;1.97,-.96,;2.37,.52,;1.28,1.61,;-.21,1.21,;-1.5,2.05,;-2.69,1.08,;-4.18,1.48,;-2.14,-.35,;-.6,-.27,;-1.5,3.59,;-.16,4.36,;-.16,5.9,;1.17,6.67,;-1.5,6.67,;-2.83,5.9,;-4.17,6.67,;-5.5,5.9,;-6.83,6.67,;-5.5,4.36,;-4.17,3.59,;-2.83,4.36,;3.86,.92,;4.95,-.17,;6.43,.23,;6.83,1.72,;5.74,2.81,;4.26,2.41,)|
Cc1n[nH]c(n1)-c1cc(cc2n(c(C)nc12)-c1cc(C)nc2ccccc12)N1CCOCC1 |(.32,-6.67,;-.45,-5.34,;-1.94,-4.94,;-2.02,-3.4,;-.58,-2.85,;.39,-4.05,;-.18,-1.36,;1.3,-.96,;1.7,.52,;.61,1.61,;-.87,1.21,;-2.16,2.05,;-3.36,1.08,;-4.85,1.48,;-2.81,-.35,;-1.27,-.27,;-2.16,3.59,;-.83,4.36,;-.83,5.9,;.5,6.67,;-2.16,6.67,;-3.5,5.9,;-4.83,6.67,;-6.17,5.9,;-6.17,4.36,;-4.83,3.59,;-3.5,4.36,;3.19,.92,;4.28,-.17,;5.77,.23,;6.17,1.72,;5.08,2.81,;3.59,2.41,)|
Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2-c2cccc(c2)C(N)=O)c1C#N |r|
Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cccc(c2)C(N)=O)c1C#N |r|
Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCN)c1C#N |r|
Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2N2CCNCC2)c1C#N |r|
Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2[C@@H]2[C@H]3CNC[C@@H]23)c1C#N |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc2oc(N)nc2c1 |r|
Cc1nc(sc1C)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-.05,-7.52,;-.45,-6.03,;.39,-4.74,;-.58,-3.54,;-2.02,-4.1,;-1.94,-5.63,;-3.03,-6.72,;-.18,-2.06,;1.3,-1.66,;1.7,-.17,;.61,.92,;-.87,.52,;-2.16,1.36,;-3.36,.39,;-4.85,.79,;-2.81,-1.05,;-1.27,-.97,;-2.16,2.9,;-.83,3.67,;-.83,5.21,;-2.16,5.98,;-3.5,5.21,;-4.83,5.98,;-4.83,7.52,;-6.17,5.21,;-6.17,3.67,;-4.83,2.9,;-3.5,3.67,;3.19,.23,;4.28,-.86,;5.77,-.46,;6.17,1.03,;5.08,2.11,;3.59,1.72,)|
Cc1nc2c(-c3nnc[nH]3)c(F)c(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,;1.18,-2.53,;2.27,-3.62,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,)|
Cc1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Cc1nc2c(cc(N3CCOCC3)c(F)c2n1-c1ccnc2c(Cl)ccc(F)c12)-c1nnc[nH]1 |(-4.86,.14,;-3.37,-.26,;-2.89,-1.72,;-1.35,-1.72,;-.32,-2.87,;1.18,-2.55,;1.66,-1.08,;3.15,-.68,;4.24,-1.77,;5.72,-1.37,;6.12,.11,;5.03,1.2,;3.55,.81,;.63,.06,;1.03,1.55,;-.88,-.26,;-2.12,.65,;-2.12,2.22,;-.79,2.99,;-.79,4.53,;-2.12,5.3,;-3.46,4.53,;-4.79,5.3,;-4.79,6.84,;-6.12,4.53,;-6.12,2.99,;-4.79,2.22,;-4.79,.68,;-3.46,2.99,;-.72,-4.35,;.18,-5.6,;-.72,-6.84,;-2.18,-6.37,;-2.18,-4.83,)|
Cc1nc2c(cc(N3CCOCC3)c(F)c2n1-c1ccnc2c(Cl)cccc12)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;.63,.08,;1.03,1.57,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1c(C)c(C)nc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;.5,2.16,;-.83,4.47,;.5,5.24,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1c(C)c(C)nc2c(F)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;.5,2.16,;-.83,4.47,;.5,5.24,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1c(C)c(nc2ccccc12)C1CC1)N1CCOCC1)-c1nnc[nH]1 |(-4.85,.15,;-3.36,-.25,;-2.81,-1.69,;-1.27,-1.61,;-.18,-2.7,;1.3,-2.3,;1.7,-.81,;.61,.28,;-.87,-.12,;-2.16,.72,;-2.16,2.26,;-.83,3.03,;.5,2.26,;-.83,4.57,;-2.16,5.34,;-3.5,4.57,;-4.83,5.34,;-6.17,4.57,;-6.17,3.03,;-4.83,2.26,;-3.5,3.03,;.5,5.34,;2.04,5.34,;1.27,6.67,;3.19,-.41,;4.28,-1.5,;5.77,-1.1,;6.17,.39,;5.08,1.47,;3.59,1.08,;-.58,-4.18,;.39,-5.38,;-.45,-6.67,;-1.94,-6.27,;-2.02,-4.74,)|
Cc1nc2c(cc(cc2n1-c1c(C)cnc2c(Cl)cccc12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.2,.16,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;.2,2.21,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1c(C)cnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;.5,2.16,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1c(C)cnc2c(cccc12)C#N)N1CCOCC1)-c1nnc[nH]1 |(-4.7,-.26,;-3.37,-1.03,;-2.89,-2.49,;-1.35,-2.49,;-.32,-3.64,;1.18,-3.32,;1.66,-1.85,;.63,-.71,;-.88,-1.03,;-2.12,-.12,;-2.12,1.45,;-.79,2.22,;.55,1.45,;-.79,3.76,;-2.12,4.53,;-3.46,3.76,;-4.79,4.53,;-6.12,3.76,;-6.12,2.22,;-4.79,1.45,;-3.46,2.22,;-4.79,6.07,;-4.79,7.61,;3.15,-1.45,;4.24,-2.54,;5.72,-2.14,;6.12,-.66,;5.03,.43,;3.55,.04,;-.72,-5.12,;.18,-6.37,;-.72,-7.61,;-2.18,-7.14,;-2.18,-5.6,)|
Cc1nc2c(cc(cc2n1-c1c(C)cnc2ccccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.85,.81,;-3.36,.42,;-2.81,-1.02,;-1.27,-.94,;-.18,-2.03,;1.3,-1.63,;1.7,-.14,;.61,.95,;-.87,.55,;-2.16,1.39,;-2.16,2.93,;-.83,3.7,;.5,2.93,;-.83,5.24,;-2.16,6.01,;-3.5,5.24,;-4.83,6.01,;-6.17,5.24,;-6.17,3.7,;-4.83,2.93,;-3.5,3.7,;3.19,.25,;4.28,-.83,;5.77,-.44,;6.17,1.05,;5.08,2.14,;3.59,1.74,;-.58,-3.52,;.39,-4.71,;-.45,-6.01,;-1.94,-5.61,;-2.02,-4.07,)|
Cc1nc2c(cc(cc2n1-c1c(Cl)cnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;.55,2.21,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1c(Cl)cnc2c(F)cccc12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.2,.16,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;.2,2.21,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1c(Cl)cnc2ccccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.86,.93,;-3.37,.53,;-2.89,-.93,;-1.35,-.93,;-.32,-2.08,;1.18,-1.76,;1.66,-.29,;.63,.85,;-.88,.53,;-2.12,1.44,;-2.12,2.98,;-.79,3.75,;.55,2.98,;-.79,5.29,;-2.12,6.06,;-3.46,5.29,;-4.79,6.06,;-6.12,5.29,;-6.12,3.75,;-4.79,2.98,;-3.46,3.75,;3.15,.11,;4.24,-.98,;5.72,-.58,;6.12,.9,;5.03,1.99,;3.55,1.59,;-.72,-3.56,;.18,-4.81,;-.72,-6.06,;-2.18,-5.58,;-2.18,-4.04,)|
Cc1nc2c(cc(cc2n1-c1c(F)cnc2ccccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.7,1.28,;-3.37,.51,;-2.89,-.95,;-1.35,-.95,;-.32,-2.1,;1.18,-1.78,;1.66,-.31,;.63,.83,;-.88,.51,;-2.12,1.42,;-2.12,2.99,;-.79,3.76,;.55,2.99,;-.79,5.3,;-2.12,6.07,;-3.46,5.3,;-4.79,6.07,;-6.12,5.3,;-6.12,3.76,;-4.79,2.99,;-3.46,3.76,;3.15,.09,;4.24,-1,;5.72,-.6,;6.12,.88,;5.03,1.97,;3.55,1.58,;-.72,-3.58,;.18,-4.83,;-.72,-6.07,;-2.18,-5.6,;-2.18,-4.06,)|
Cc1nc2c(cc(cc2n1-c1c(cnc2ccccc12)-c1nnc[nH]1)N1CCOCC1)-c1nnc[nH]1 |(-4.7,1.28,;-3.37,.51,;-2.89,-.95,;-1.35,-.95,;-.32,-2.1,;1.18,-1.78,;1.66,-.31,;.63,.83,;-.88,.51,;-2.12,1.42,;-2.12,2.99,;-.79,3.76,;-.79,5.3,;-2.12,6.07,;-3.46,5.3,;-4.79,6.07,;-6.12,5.3,;-6.12,3.76,;-4.79,2.99,;-3.46,3.76,;.55,2.99,;.55,1.45,;2.01,.98,;2.91,2.22,;2.01,3.47,;3.15,.09,;4.24,-1,;5.72,-.6,;6.12,.88,;5.03,1.97,;3.55,1.58,;-.72,-3.58,;.18,-4.83,;-.72,-6.07,;-2.18,-5.6,;-2.18,-4.06,)|
Cc1nc2c(cc(cc2n1-c1c(cnc2ccccc12)C1CC1)N1CCOCC1)-c1nnc[nH]1 |(-4.85,.81,;-3.36,.42,;-2.81,-1.02,;-1.27,-.94,;-.18,-2.03,;1.3,-1.63,;1.7,-.14,;.61,.95,;-.87,.55,;-2.16,1.39,;-2.16,2.93,;-.83,3.7,;-.83,5.24,;-2.16,6.01,;-3.5,5.24,;-4.83,6.01,;-6.17,5.24,;-6.17,3.7,;-4.83,2.93,;-3.5,3.7,;.5,2.93,;1.27,1.59,;2.04,2.93,;3.19,.25,;4.28,-.83,;5.77,-.44,;6.17,1.05,;5.08,2.14,;3.59,1.74,;-.58,-3.52,;.39,-4.71,;-.45,-6.01,;-1.94,-5.61,;-2.02,-4.07,)|
Cc1nc2c(cc(cc2n1-c1cc(C)nc2c(Cl)ccc(Cl)c12)N1CCOCC1)-c1cnc[nH]1 |(-4.51,-.98,;-2.97,-.98,;-2.07,-2.22,;-.6,-1.75,;.73,-2.52,;2.07,-1.75,;2.07,-.21,;.73,.56,;-.6,-.21,;-2.07,.27,;-2.07,1.81,;-.73,2.58,;-.73,4.12,;.6,4.89,;-2.07,4.89,;-3.4,4.12,;-4.73,4.89,;-4.73,6.43,;-6.07,4.12,;-6.07,2.58,;-4.73,1.81,;-4.73,.27,;-3.4,2.58,;3.4,.56,;4.73,-.21,;6.07,.56,;6.07,2.1,;4.73,2.87,;3.4,2.1,;.73,-4.06,;1.98,-4.96,;1.5,-6.43,;-.04,-6.43,;-.51,-4.96,)|
Cc1nc2c(cc(cc2n1-c1cc(C)nc2c(Cl)cccc12)-c1ccncc1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;.55,5.29,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1cc(C)nc2c(Cl)cccc12)-c1ccncc1)C(N)=O |(-4.86,-.54,;-3.37,-.94,;-2.89,-2.4,;-1.35,-2.4,;-.32,-3.55,;1.18,-3.23,;1.66,-1.76,;.63,-.62,;-.88,-.94,;-2.12,-.03,;-2.12,1.51,;-.79,2.28,;-.79,3.82,;.55,4.59,;-2.12,4.59,;-3.46,3.82,;-4.79,4.59,;-4.79,6.13,;-6.12,3.82,;-6.12,2.28,;-4.79,1.51,;-3.46,2.28,;3.15,-1.37,;4.24,-2.45,;5.72,-2.06,;6.12,-.57,;5.03,.52,;3.55,.12,;-.72,-5.04,;.37,-6.13,;-2.21,-5.43,)|
Cc1nc2c(cc(cc2n1-c1cc(C)nc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;.5,5.24,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1cc(C)nc2c(F)cccc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;.5,5.58,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
Cc1nc2c(cc(cc2n1-c1cc(C)nc2c(F)cccc12)N1CCOCC1)-c1cnc[nH]1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;.5,5.24,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1cc(C)nc2c(cccc12)C(F)(F)F)N1CCOCC1)-c1nnc[nH]1 |(-4.85,-.73,;-3.36,-1.12,;-2.81,-2.56,;-1.27,-2.48,;-.18,-3.57,;1.3,-3.17,;1.7,-1.68,;.61,-.59,;-.87,-.99,;-2.16,-.15,;-2.16,1.39,;-.83,2.16,;-.83,3.7,;.5,4.47,;-2.16,4.47,;-3.5,3.7,;-4.83,4.47,;-6.17,3.7,;-6.17,2.16,;-4.83,1.39,;-3.5,2.16,;-4.83,6.01,;-6.17,6.78,;-3.5,6.78,;-4.83,7.55,;3.19,-1.29,;4.28,-2.37,;5.77,-1.98,;6.17,-.49,;5.08,.6,;3.59,.2,;-.58,-5.06,;.39,-6.25,;-.45,-7.55,;-1.94,-7.15,;-2.02,-5.61,)|
Cc1nc2c(cc(cc2n1-c1cc(C)nc2cc(F)ccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.18,.81,;-2.69,.42,;-2.14,-1.02,;-.6,-.94,;.48,-2.03,;1.97,-1.63,;2.37,-.14,;1.28,.95,;-.21,.55,;-1.5,1.39,;-1.5,2.93,;-.16,3.7,;-.16,5.24,;1.17,6.01,;-1.5,6.01,;-2.83,5.24,;-4.17,6.01,;-5.5,5.24,;-6.83,6.01,;-5.5,3.7,;-4.17,2.93,;-2.83,3.7,;3.86,.25,;4.95,-.83,;6.43,-.44,;6.83,1.05,;5.74,2.14,;4.26,1.74,;.09,-3.52,;1.05,-4.71,;.22,-6.01,;-1.27,-5.61,;-1.35,-4.07,)|
Cc1nc2c(cc(cc2n1-c1cc(C)nc2ccccc12)-c1ccncc1)-c1nnc[nH]1 |(-4.86,.93,;-3.37,.53,;-2.89,-.93,;-1.35,-.93,;-.32,-2.08,;1.18,-1.76,;1.66,-.29,;.63,.85,;-.88,.53,;-2.12,1.44,;-2.12,2.98,;-.79,3.75,;-.79,5.29,;.55,6.06,;-2.12,6.06,;-3.46,5.29,;-4.79,6.06,;-6.12,5.29,;-6.12,3.75,;-4.79,2.98,;-3.46,3.75,;3.15,.11,;4.24,-.98,;5.72,-.58,;6.12,.9,;5.03,1.99,;3.55,1.59,;-.72,-3.56,;.18,-4.81,;-.72,-6.06,;-2.18,-5.58,;-2.18,-4.04,)|
Cc1nc2c(cc(cc2n1-c1cc(C)nc2ccccc12)-c1ccncc1)C(N)=O |(-4.86,.23,;-3.37,-.17,;-2.89,-1.63,;-1.35,-1.63,;-.32,-2.78,;1.18,-2.46,;1.66,-.99,;.63,.15,;-.88,-.17,;-2.12,.74,;-2.12,2.28,;-.79,3.05,;-.79,4.59,;.55,5.36,;-2.12,5.36,;-3.46,4.59,;-4.79,5.36,;-6.12,4.59,;-6.12,3.05,;-4.79,2.28,;-3.46,3.05,;3.15,-.6,;4.24,-1.68,;5.72,-1.29,;6.12,.2,;5.03,1.29,;3.55,.89,;-.72,-4.27,;.37,-5.36,;-2.21,-4.66,)|
Cc1nc2c(cc(cc2n1-c1cc(C)nc2ccccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.85,.81,;-3.36,.42,;-2.81,-1.02,;-1.27,-.94,;-.18,-2.03,;1.3,-1.63,;1.7,-.14,;.61,.95,;-.87,.55,;-2.16,1.39,;-2.16,2.93,;-.83,3.7,;-.83,5.24,;.5,6.01,;-2.16,6.01,;-3.5,5.24,;-4.83,6.01,;-6.17,5.24,;-6.17,3.7,;-4.83,2.93,;-3.5,3.7,;3.19,.25,;4.28,-.83,;5.77,-.44,;6.17,1.05,;5.08,2.14,;3.59,1.74,;-.58,-3.52,;.39,-4.71,;-.45,-6.01,;-1.94,-5.61,;-2.02,-4.07,)|
Cc1nc2c(cc(cc2n1-c1cc(C)nc2ccccc12)N1CCOCC1)-c1nnn[nH]1 |(-4.85,.81,;-3.36,.42,;-2.81,-1.02,;-1.27,-.94,;-.18,-2.03,;1.3,-1.63,;1.7,-.14,;.61,.95,;-.87,.55,;-2.16,1.39,;-2.16,2.93,;-.83,3.7,;-.83,5.24,;.5,6.01,;-2.16,6.01,;-3.5,5.24,;-4.83,6.01,;-6.17,5.24,;-6.17,3.7,;-4.83,2.93,;-3.5,3.7,;3.19,.25,;4.28,-.83,;5.77,-.44,;6.17,1.05,;5.08,2.14,;3.59,1.74,;-.58,-3.52,;.39,-4.71,;-.45,-6.01,;-1.94,-5.61,;-2.02,-4.07,)|
Cc1nc2c(cc(cc2n1-c1cc(nc2c(Cl)cccc12)C(F)(F)F)N1CCOCC1)-c1nnc[nH]1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;.5,5.24,;1.84,4.47,;.5,6.78,;1.84,6.01,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1cc(nc2ccccc12)-c1ccccc1)N1CCOCC1)-c1nnc[nH]1 |(-4.85,-.34,;-3.36,-.74,;-2.81,-2.18,;-1.27,-2.1,;-.18,-3.18,;1.3,-2.79,;1.7,-1.3,;.61,-.21,;-.87,-.61,;-2.16,.23,;-2.16,1.77,;-.83,2.54,;-.83,4.08,;-2.16,4.85,;-3.5,4.08,;-4.83,4.85,;-6.17,4.08,;-6.17,2.54,;-4.83,1.77,;-3.5,2.54,;.5,4.85,;1.84,4.08,;3.17,4.85,;3.17,6.39,;1.84,7.16,;.5,6.39,;3.19,-.9,;4.28,-1.99,;5.77,-1.59,;6.17,-.1,;5.08,.99,;3.59,.59,;-.58,-4.67,;.39,-5.87,;-.45,-7.16,;-1.94,-6.76,;-2.02,-5.22,)|
Cc1nc2c(cc(cc2n1-c1cc(nc2ccccc12)-c1cn[nH]c1)N1CCOCC1)-c1nnc[nH]1 |(-4.86,-.74,;-3.37,-1.14,;-2.89,-2.61,;-1.35,-2.61,;-.32,-3.75,;1.18,-3.43,;1.66,-1.97,;.63,-.82,;-.88,-1.14,;-2.12,-.24,;-2.12,1.3,;-.79,2.07,;-.79,3.61,;-2.12,4.38,;-3.46,3.61,;-4.79,4.38,;-6.12,3.61,;-6.12,2.07,;-4.79,1.3,;-3.46,2.07,;.55,4.38,;2.01,3.91,;2.91,5.15,;2.01,6.4,;.55,5.92,;3.15,-1.57,;4.24,-2.66,;5.72,-2.26,;6.12,-.77,;5.03,.32,;3.55,-.08,;-.72,-5.24,;.18,-6.49,;-.72,-7.73,;-2.18,-7.26,;-2.18,-5.72,)|
Cc1nc2c(cc(cc2n1-c1cc(nc2ccccc12)-c1cscn1)N1CCOCC1)-c1nnc[nH]1 |(-4.86,-.08,;-3.37,-.48,;-2.89,-1.94,;-1.35,-1.94,;-.32,-3.09,;1.18,-2.77,;1.66,-1.3,;.63,-.16,;-.88,-.48,;-2.12,.43,;-2.12,1.97,;-.79,2.74,;-.79,4.28,;-2.12,5.05,;-3.46,4.28,;-4.79,5.05,;-6.12,4.28,;-6.12,2.74,;-4.79,1.97,;-3.46,2.74,;.55,5.05,;2.01,4.57,;2.91,5.82,;2.01,7.06,;.55,6.59,;3.15,-.9,;4.24,-1.99,;5.72,-1.59,;6.12,-.1,;5.03,.98,;3.55,.59,;-.72,-4.57,;.18,-5.82,;-.72,-7.06,;-2.18,-6.59,;-2.18,-5.05,)|
Cc1nc2c(cc(cc2n1-c1cc(nc2ccccc12)-c1nnc[nH]1)N1CCOCC1)-c1nnc[nH]1 |(-4.85,.03,;-3.36,-.37,;-2.81,-1.81,;-1.27,-1.72,;-.18,-2.81,;1.3,-2.42,;1.7,-.93,;.61,.16,;-.87,-.24,;-2.16,.6,;-2.16,2.14,;-.83,2.91,;-.83,4.45,;-2.16,5.22,;-3.5,4.45,;-4.83,5.22,;-6.17,4.45,;-6.17,2.91,;-4.83,2.14,;-3.5,2.91,;.5,5.22,;.9,6.71,;2.44,6.79,;2.99,5.35,;1.79,4.38,;3.19,-.53,;4.28,-1.62,;5.77,-1.22,;6.17,.27,;5.08,1.36,;3.59,.96,;-.58,-4.3,;.39,-5.5,;-.45,-6.79,;-1.94,-6.39,;-2.02,-4.85,)|
Cc1nc2c(cc(cc2n1-c1cc(nc2ccccc12)C#N)N1CCOCC1)-c1nnc[nH]1 |(-4.85,.43,;-3.36,.03,;-2.81,-1.41,;-1.27,-1.33,;-.18,-2.41,;1.3,-2.02,;1.7,-.53,;.61,.56,;-.87,.16,;-2.16,1,;-2.16,2.54,;-.83,3.31,;-.83,4.85,;-2.16,5.62,;-3.5,4.85,;-4.83,5.62,;-6.17,4.85,;-6.17,3.31,;-4.83,2.54,;-3.5,3.31,;.5,5.62,;1.84,6.39,;3.19,-.13,;4.28,-1.22,;5.77,-.82,;6.17,.67,;5.08,1.76,;3.59,1.36,;-.58,-3.9,;.39,-5.1,;-.45,-6.39,;-1.94,-5.99,;-2.02,-4.45,)|
Cc1nc2c(cc(cc2n1-c1cc(nc2ccccc12)N1CCNCC1)N1CCOCC1)-c1nnc[nH]1 |(-4.86,-.22,;-3.37,-.62,;-2.89,-2.09,;-1.35,-2.09,;-.32,-3.23,;1.18,-2.91,;1.66,-1.45,;.63,-.3,;-.88,-.62,;-2.12,.28,;-2.12,1.82,;-.79,2.59,;-.79,4.13,;-2.12,4.9,;-3.46,4.13,;-4.79,4.9,;-6.12,4.13,;-6.12,2.59,;-4.79,1.82,;-3.46,2.59,;.55,4.9,;1.88,4.13,;3.21,4.9,;3.21,6.44,;1.88,7.21,;.55,6.44,;3.15,-1.05,;4.24,-2.14,;5.72,-1.74,;6.12,-.25,;5.03,.84,;3.55,.44,;-.72,-4.72,;.18,-5.97,;-.72,-7.21,;-2.18,-6.74,;-2.18,-5.2,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(C)ccc(F)c12)N1CCOCC1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(C)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)c(F)ccc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-4.18,.39,;-2.69,-.01,;-2.14,-1.45,;-.6,-1.37,;.48,-2.45,;1.97,-2.06,;2.37,-.57,;1.28,.52,;-.21,.12,;-1.5,.96,;-1.5,2.5,;-.16,3.27,;-.16,4.81,;-1.5,5.58,;-2.83,4.81,;-4.17,5.58,;-4.17,7.12,;-5.5,4.81,;-6.83,5.58,;-5.5,3.27,;-4.17,2.5,;-2.83,3.27,;3.86,-.17,;4.95,-1.26,;6.43,-.86,;6.83,.63,;5.74,1.72,;4.26,1.32,;.09,-3.94,;1.05,-5.14,;.22,-6.43,;-1.27,-6.03,;-2.36,-7.12,;-1.35,-4.49,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)c(F)ccc12)N1CCOCC1)-c1nnc(Cl)[nH]1 |(-4.18,.39,;-2.69,-.01,;-2.14,-1.45,;-.6,-1.37,;.48,-2.45,;1.97,-2.06,;2.37,-.57,;1.28,.52,;-.21,.12,;-1.5,.96,;-1.5,2.5,;-.16,3.27,;-.16,4.81,;-1.5,5.58,;-2.83,4.81,;-4.17,5.58,;-4.17,7.12,;-5.5,4.81,;-6.83,5.58,;-5.5,3.27,;-4.17,2.5,;-2.83,3.27,;3.86,-.17,;4.95,-1.26,;6.43,-.86,;6.83,.63,;5.74,1.72,;4.26,1.32,;.09,-3.94,;1.05,-5.14,;.22,-6.43,;-1.27,-6.03,;-2.36,-7.12,;-1.35,-4.49,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)c(F)ccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.19,.16,;-2.7,-.24,;-2.23,-1.7,;-.69,-1.7,;.35,-2.85,;1.85,-2.53,;2.33,-1.06,;1.3,.08,;-.21,-.24,;-1.46,.67,;-1.46,2.21,;-.12,2.98,;-.12,4.52,;-1.46,5.29,;-2.79,4.52,;-4.12,5.29,;-4.12,6.83,;-5.46,4.52,;-6.79,5.29,;-5.46,2.98,;-4.12,2.21,;-2.79,2.98,;3.81,-.66,;4.9,-1.75,;6.39,-1.35,;6.79,.13,;5.7,1.22,;4.21,.82,;-.05,-4.33,;.85,-5.58,;-.05,-6.83,;-1.52,-6.35,;-1.52,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cc(F)cc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-4.23,-.01,;-2.69,-.01,;-2.14,-1.45,;-.6,-1.37,;.48,-2.45,;1.97,-2.06,;2.37,-.57,;1.28,.52,;-.21,.12,;-1.5,.96,;-1.5,2.5,;-.16,3.27,;-.16,4.81,;-1.5,5.58,;-2.83,4.81,;-4.17,5.58,;-4.17,7.12,;-5.5,4.81,;-5.5,3.27,;-6.83,2.5,;-4.17,2.5,;-2.83,3.27,;3.86,-.17,;4.95,-1.26,;6.43,-.86,;6.83,.63,;5.74,1.72,;4.26,1.32,;.09,-3.94,;1.05,-5.14,;.22,-6.43,;-1.27,-6.03,;-2.36,-7.12,;-1.35,-4.49,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cc(F)cc12)N1CCOCC1)-c1nnc[nH]1 |(-4.19,.16,;-2.7,-.24,;-2.23,-1.7,;-.69,-1.7,;.35,-2.85,;1.85,-2.53,;2.33,-1.06,;1.3,.08,;-.21,-.24,;-1.46,.67,;-1.46,2.21,;-.12,2.98,;-.12,4.52,;-1.46,5.29,;-2.79,4.52,;-4.12,5.29,;-4.12,6.83,;-5.46,4.52,;-5.46,2.98,;-6.79,2.21,;-4.12,2.21,;-2.79,2.98,;3.81,-.66,;4.9,-1.75,;6.39,-1.35,;6.79,.13,;5.7,1.22,;4.21,.82,;-.05,-4.33,;.85,-5.58,;-.05,-6.83,;-1.52,-6.35,;-1.52,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(Cl)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-6,-.24,;-4.46,-.24,;-3.98,-1.7,;-2.44,-1.7,;-1.41,-2.85,;.1,-2.53,;.57,-1.06,;-.46,.08,;-1.97,-.24,;-3.21,.67,;-3.21,2.21,;-1.88,2.98,;-1.88,4.52,;-3.21,5.29,;-4.54,4.52,;-5.88,5.29,;-5.88,6.83,;-7.21,4.52,;-7.21,2.98,;-5.88,2.21,;-5.88,.67,;-4.54,2.98,;2.06,-.66,;2.46,.82,;3.95,1.22,;5.03,.13,;4.64,-1.35,;5.72,-2.44,;3.15,-1.75,;2.75,-3.24,;-1.81,-4.33,;-.9,-5.58,;-1.81,-6.83,;-3.27,-6.35,;-3.27,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(Cl)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(Cl)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(Cl)c12)N1CCOCC1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.2,.16,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.85,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(N)c1)C(N)=O |(-5.2,-.54,;-3.71,-.94,;-3.24,-2.4,;-1.7,-2.4,;-.67,-3.55,;.84,-3.23,;1.32,-1.76,;.28,-.62,;-1.22,-.94,;-2.47,-.03,;-2.47,1.51,;-1.13,2.28,;-1.13,3.82,;-2.47,4.59,;-3.8,3.82,;-5.13,4.59,;-5.13,6.13,;-6.47,3.82,;-6.47,2.28,;-5.13,1.51,;-5.13,.15,;-3.8,2.28,;2.8,-1.37,;3.2,.12,;4.69,.52,;5.78,-.57,;5.38,-2.06,;6.47,-3.14,;3.89,-2.45,;-1.07,-5.04,;-2.55,-5.43,;.02,-6.13,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.85,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)-c1ccncc1)C(N)=O |(-4.86,-.54,;-3.37,-.94,;-2.89,-2.4,;-1.35,-2.4,;-.32,-3.55,;1.18,-3.23,;1.66,-1.76,;.63,-.62,;-.88,-.94,;-2.12,-.03,;-2.12,1.51,;-.79,2.28,;-.79,3.82,;-2.12,4.59,;-3.46,3.82,;-4.79,4.59,;-4.79,6.13,;-6.12,3.82,;-6.12,2.28,;-4.79,1.51,;-4.79,.15,;-3.46,2.28,;3.15,-1.37,;4.24,-2.45,;5.72,-2.06,;6.12,-.57,;5.03,.52,;3.55,.12,;-.72,-5.04,;.37,-6.13,;-2.21,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-4.9,-.01,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-4.83,.96,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)N1CCOCC1)-c1nccs1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-4.83,.62,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;-2.02,-4.84,;-1.94,-6.38,;-.45,-6.78,;.39,-5.48,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)N1CCOCC1)-c1nnc(Cl)[nH]1 |(-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-4.83,.96,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)ccc(F)c12)N1CCOCC1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1cc(N)nc(N)n1)-c1nnc[nH]1 |(-5.2,.16,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.09,2.71,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1cc(N)nc(N)n1)C(N)=O |(-5.2,-.54,;-3.71,-.94,;-3.24,-2.4,;-1.7,-2.4,;-.67,-3.55,;.84,-3.23,;1.32,-1.76,;.28,-.62,;-1.22,-.94,;-2.47,-.03,;-2.47,1.51,;-1.13,2.28,;-1.13,3.82,;-2.47,4.59,;-3.8,3.82,;-5.13,4.59,;-5.13,6.13,;-6.47,3.82,;-6.47,2.28,;-5.13,1.51,;-3.8,2.28,;2.8,-1.37,;3.2,.12,;4.69,.52,;5.09,2.01,;5.78,-.57,;5.38,-2.06,;6.47,-3.14,;3.89,-2.45,;-1.07,-5.04,;.02,-6.13,;-2.55,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1cc(N)ncn1)-c1nnc[nH]1 |(-5.2,.16,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-3.8,2.98,;2.8,-.66,;3.89,-1.75,;5.38,-1.35,;6.47,-2.44,;5.78,.13,;4.69,1.22,;3.2,.82,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1cc(N)ncn1)C(N)=O |(-5.2,-.54,;-3.71,-.94,;-3.24,-2.4,;-1.7,-2.4,;-.67,-3.55,;.84,-3.23,;1.32,-1.76,;.28,-.62,;-1.22,-.94,;-2.47,-.03,;-2.47,1.51,;-1.13,2.28,;-1.13,3.82,;-2.47,4.59,;-3.8,3.82,;-5.13,4.59,;-5.13,6.13,;-6.47,3.82,;-6.47,2.28,;-5.13,1.51,;-3.8,2.28,;2.8,-1.37,;3.89,-2.45,;5.38,-2.06,;6.47,-3.14,;5.78,-.57,;4.69,.52,;3.2,.12,;-1.07,-5.04,;.02,-6.13,;-2.55,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;5.43,2.71,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccnc(C)c1)C(N)=O |(-4.86,-.54,;-3.37,-.94,;-2.89,-2.4,;-1.35,-2.4,;-.32,-3.55,;1.18,-3.23,;1.66,-1.76,;.63,-.62,;-.88,-.94,;-2.12,-.03,;-2.12,1.51,;-.79,2.28,;-.79,3.82,;-2.12,4.59,;-3.46,3.82,;-4.79,4.59,;-4.79,6.13,;-6.12,3.82,;-6.12,2.28,;-4.79,1.51,;-3.46,2.28,;3.15,-1.37,;4.24,-2.45,;5.72,-2.06,;6.12,-.57,;5.03,.52,;5.43,2.01,;3.55,.12,;-.72,-5.04,;.37,-6.13,;-2.21,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.2,.16,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccnc(N)c1)C(N)=O |(-5.2,-.54,;-3.71,-.94,;-3.24,-2.4,;-1.7,-2.4,;-.67,-3.55,;.84,-3.23,;1.32,-1.76,;.28,-.62,;-1.22,-.94,;-2.47,-.03,;-2.47,1.51,;-1.13,2.28,;-1.13,3.82,;-2.47,4.59,;-3.8,3.82,;-5.13,4.59,;-5.13,6.13,;-6.47,3.82,;-6.47,2.28,;-5.13,1.51,;-3.8,2.28,;2.8,-1.37,;3.2,.12,;4.69,.52,;5.78,-.57,;5.38,-2.06,;6.47,-3.14,;3.89,-2.45,;-1.07,-5.04,;.02,-6.13,;-2.55,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.2,.16,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccnc(N)n1)-c1nnc[nH]1 |(-5.2,.16,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccnc(N)n1)C(N)=O |(-5.2,-.54,;-3.71,-.94,;-3.24,-2.4,;-1.7,-2.4,;-.67,-3.55,;.84,-3.23,;1.32,-1.76,;.28,-.62,;-1.22,-.94,;-2.47,-.03,;-2.47,1.51,;-1.13,2.28,;-1.13,3.82,;-2.47,4.59,;-3.8,3.82,;-5.13,4.59,;-5.13,6.13,;-6.47,3.82,;-6.47,2.28,;-5.13,1.51,;-3.8,2.28,;2.8,-1.37,;3.2,.12,;4.69,.52,;5.78,-.57,;5.38,-2.06,;6.47,-3.14,;3.89,-2.45,;-1.07,-5.04,;.02,-6.13,;-2.55,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccnc(N)n1)C(O)=O |(-5.2,-.54,;-3.71,-.94,;-3.24,-2.4,;-1.7,-2.4,;-.67,-3.55,;.84,-3.23,;1.32,-1.76,;.28,-.62,;-1.22,-.94,;-2.47,-.03,;-2.47,1.51,;-1.13,2.28,;-1.13,3.82,;-2.47,4.59,;-3.8,3.82,;-5.13,4.59,;-5.13,6.13,;-6.47,3.82,;-6.47,2.28,;-5.13,1.51,;-3.8,2.28,;2.8,-1.37,;3.2,.12,;4.69,.52,;5.78,-.57,;5.38,-2.06,;6.47,-3.14,;3.89,-2.45,;-1.07,-5.04,;.02,-6.13,;-2.55,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.75,.16,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccncc1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccncc1)C(N)=O |(-4.86,-.54,;-3.37,-.94,;-2.89,-2.4,;-1.35,-2.4,;-.32,-3.55,;1.18,-3.23,;1.66,-1.76,;.63,-.62,;-.88,-.94,;-2.12,-.03,;-2.12,1.51,;-.79,2.28,;-.79,3.82,;-2.12,4.59,;-3.46,3.82,;-4.79,4.59,;-4.79,6.13,;-6.12,3.82,;-6.12,2.28,;-4.79,1.51,;-3.46,2.28,;3.15,-1.37,;4.24,-2.45,;5.72,-2.06,;6.12,-.57,;5.03,.52,;3.55,.12,;-.72,-5.04,;.37,-6.13,;-2.21,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccncc1)C(O)=O |(-4.86,-.54,;-3.37,-.94,;-2.89,-2.4,;-1.35,-2.4,;-.32,-3.55,;1.18,-3.23,;1.66,-1.76,;.63,-.62,;-.88,-.94,;-2.12,-.03,;-2.12,1.51,;-.79,2.28,;-.79,3.82,;-2.12,4.59,;-3.46,3.82,;-4.79,4.59,;-4.79,6.13,;-6.12,3.82,;-6.12,2.28,;-4.79,1.51,;-3.46,2.28,;3.15,-1.37,;4.24,-2.45,;5.72,-2.06,;6.12,-.57,;5.03,.52,;3.55,.12,;-.72,-5.04,;.37,-6.13,;-2.21,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccncc1F)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;2.46,1.91,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ccncc1F)C(N)=O |(-4.86,-.54,;-3.37,-.94,;-2.89,-2.4,;-1.35,-2.4,;-.32,-3.55,;1.18,-3.23,;1.66,-1.76,;.63,-.62,;-.88,-.94,;-2.12,-.03,;-2.12,1.51,;-.79,2.28,;-.79,3.82,;-2.12,4.59,;-3.46,3.82,;-4.79,4.59,;-4.79,6.13,;-6.12,3.82,;-6.12,2.28,;-4.79,1.51,;-3.46,2.28,;3.15,-1.37,;4.24,-2.45,;5.72,-2.06,;6.12,-.57,;5.03,.52,;3.55,.12,;2.46,1.21,;-.72,-5.04,;.37,-6.13,;-2.21,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ncnc2[nH]cnc12)C(N)=O |(-5.08,-.54,;-3.59,-.94,;-3.11,-2.4,;-1.57,-2.4,;-.54,-3.55,;.96,-3.23,;1.44,-1.76,;.41,-.62,;-1.1,-.94,;-2.34,-.03,;-2.34,1.51,;-1.01,2.28,;-1.01,3.82,;-2.34,4.59,;-3.68,3.82,;-5.01,4.59,;-5.01,6.13,;-6.34,3.82,;-6.34,2.28,;-5.01,1.51,;-3.68,2.28,;2.93,-1.37,;3.33,.12,;4.81,.52,;5.9,-.57,;5.5,-2.06,;6.34,-3.35,;5.37,-4.54,;3.94,-3.99,;4.02,-2.45,;-.94,-5.04,;.15,-6.13,;-2.43,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)-c1ncnc2[nH]cnc12)C(O)=O |(-5.08,-.54,;-3.59,-.94,;-3.11,-2.4,;-1.57,-2.4,;-.54,-3.55,;.96,-3.23,;1.44,-1.76,;.41,-.62,;-1.1,-.94,;-2.34,-.03,;-2.34,1.51,;-1.01,2.28,;-1.01,3.82,;-2.34,4.59,;-3.68,3.82,;-5.01,4.59,;-5.01,6.13,;-6.34,3.82,;-6.34,2.28,;-5.01,1.51,;-3.68,2.28,;2.93,-1.37,;3.33,.12,;4.81,.52,;5.9,-.57,;5.5,-2.06,;6.34,-3.35,;5.37,-4.54,;3.94,-3.99,;4.02,-2.45,;-.94,-5.04,;.15,-6.13,;-2.43,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cc[nH]c1 |(-4.85,.71,;-3.36,.31,;-2.81,-1.12,;-1.27,-1.04,;-.18,-2.13,;1.3,-1.73,;1.7,-.25,;.61,.84,;-.87,.44,;-2.16,1.28,;-2.16,2.82,;-.83,3.59,;-.83,5.13,;-2.16,5.9,;-3.5,5.13,;-4.83,5.9,;-4.83,7.44,;-6.17,5.13,;-6.17,3.59,;-4.83,2.82,;-3.5,3.59,;3.19,.15,;4.28,-.94,;5.77,-.54,;6.17,.95,;5.08,2.04,;3.59,1.64,;-.58,-3.62,;-2.02,-4.17,;-1.94,-5.71,;-.45,-6.11,;.39,-4.82,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cc[nH]n1 |(-4.85,.71,;-3.36,.31,;-2.81,-1.12,;-1.27,-1.04,;-.18,-2.13,;1.3,-1.73,;1.7,-.25,;.61,.84,;-.87,.44,;-2.16,1.28,;-2.16,2.82,;-.83,3.59,;-.83,5.13,;-2.16,5.9,;-3.5,5.13,;-4.83,5.9,;-4.83,7.44,;-6.17,5.13,;-6.17,3.59,;-4.83,2.82,;-3.5,3.59,;3.19,.15,;4.28,-.94,;5.77,-.54,;6.17,.95,;5.08,2.04,;3.59,1.64,;-.58,-3.62,;-2.02,-4.17,;-1.94,-5.71,;-.45,-6.11,;.39,-4.82,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ccc(Cl)s1 |(-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ccc(s1)C#N |(-4.85,1.38,;-3.36,.98,;-2.81,-.46,;-1.27,-.38,;-.18,-1.47,;1.3,-1.07,;1.7,.42,;.61,1.51,;-.87,1.11,;-2.16,1.95,;-2.16,3.49,;-.83,4.26,;-.83,5.8,;-2.16,6.57,;-3.5,5.8,;-4.83,6.57,;-4.83,8.11,;-6.17,5.8,;-6.17,4.26,;-4.83,3.49,;-3.5,4.26,;3.19,.82,;4.28,-.27,;5.77,.13,;6.17,1.62,;5.08,2.7,;3.59,2.31,;-.58,-2.95,;-2.02,-3.51,;-1.94,-5.04,;-.45,-5.44,;.39,-4.15,;.32,-6.78,;1.09,-8.11,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ccc[nH]1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;-2.02,-4.84,;-1.94,-6.38,;-.45,-6.78,;.39,-5.48,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cccc(c1)C(N)=O |(-4.85,1.38,;-3.36,.98,;-2.81,-.46,;-1.27,-.38,;-.18,-1.47,;1.3,-1.07,;1.7,.42,;.61,1.51,;-.87,1.11,;-2.16,1.95,;-2.16,3.49,;-.83,4.26,;-.83,5.8,;-2.16,6.57,;-3.5,5.8,;-4.83,6.57,;-4.83,8.11,;-6.17,5.8,;-6.17,4.26,;-4.83,3.49,;-3.5,4.26,;3.19,.82,;4.28,-.27,;5.77,.13,;6.17,1.61,;5.08,2.7,;3.59,2.3,;-.58,-2.95,;-2.07,-3.35,;-2.47,-4.84,;-1.38,-5.93,;.11,-5.53,;.51,-4.04,;1.2,-6.62,;2.69,-6.22,;.8,-8.11,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ccccc1 |(-4.85,.29,;-3.36,-.11,;-2.81,-1.55,;-1.27,-1.47,;-.18,-2.56,;1.3,-2.16,;1.7,-.67,;.61,.42,;-.87,.02,;-2.16,.86,;-2.16,2.4,;-.83,3.17,;-.83,4.71,;-2.16,5.48,;-3.5,4.71,;-4.83,5.48,;-4.83,7.02,;-6.17,4.71,;-6.17,3.17,;-4.83,2.4,;-3.5,3.17,;3.19,-.27,;4.28,-1.36,;5.77,-.96,;6.17,.53,;5.08,1.61,;3.59,1.22,;-.58,-4.04,;-2.07,-4.44,;-2.47,-5.93,;-1.38,-7.02,;.11,-6.62,;.51,-5.13,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ccccn1 |(-4.85,.29,;-3.36,-.11,;-2.81,-1.55,;-1.27,-1.47,;-.18,-2.56,;1.3,-2.16,;1.7,-.67,;.61,.42,;-.87,.02,;-2.16,.86,;-2.16,2.4,;-.83,3.17,;-.83,4.71,;-2.16,5.48,;-3.5,4.71,;-4.83,5.48,;-4.83,7.02,;-6.17,4.71,;-6.17,3.17,;-4.83,2.4,;-3.5,3.17,;3.19,-.27,;4.28,-1.36,;5.77,-.96,;6.17,.53,;5.08,1.61,;3.59,1.22,;-.58,-4.04,;-2.07,-4.44,;-2.47,-5.93,;-1.38,-7.02,;.11,-6.62,;.51,-5.13,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cccnc1 |(-4.85,.29,;-3.36,-.11,;-2.81,-1.55,;-1.27,-1.47,;-.18,-2.56,;1.3,-2.16,;1.7,-.67,;.61,.42,;-.87,.02,;-2.16,.86,;-2.16,2.4,;-.83,3.17,;-.83,4.71,;-2.16,5.48,;-3.5,4.71,;-4.83,5.48,;-4.83,7.02,;-6.17,4.71,;-6.17,3.17,;-4.83,2.4,;-3.5,3.17,;3.19,-.27,;4.28,-1.36,;5.77,-.96,;6.17,.53,;5.08,1.61,;3.59,1.22,;-.58,-4.04,;.51,-5.13,;.11,-6.62,;-1.38,-7.02,;-2.47,-5.93,;-2.07,-4.44,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ccco1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;-2.02,-4.84,;-1.94,-6.38,;-.45,-6.78,;.39,-5.48,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cccs1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;-2.02,-4.84,;-1.94,-6.38,;-.45,-6.78,;.39,-5.48,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ccn(c1)S(C)(=O)=O |(-4.85,1.38,;-3.36,.98,;-2.81,-.46,;-1.27,-.38,;-.18,-1.47,;1.3,-1.07,;1.7,.42,;.61,1.51,;-.87,1.11,;-2.16,1.95,;-2.16,3.49,;-.83,4.26,;-.83,5.8,;-2.16,6.57,;-3.5,5.8,;-4.83,6.57,;-4.83,8.11,;-6.17,5.8,;-6.17,4.26,;-4.83,3.49,;-3.5,4.26,;3.19,.82,;4.28,-.27,;5.77,.13,;6.17,1.62,;5.08,2.7,;3.59,2.31,;-.58,-2.95,;-2.02,-3.51,;-1.94,-5.04,;-.45,-5.44,;.39,-4.15,;.32,-6.78,;-.45,-8.11,;1.86,-6.78,;1.09,-5.44,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ccncc1 |(-4.85,.29,;-3.36,-.11,;-2.81,-1.55,;-1.27,-1.47,;-.18,-2.56,;1.3,-2.16,;1.7,-.67,;.61,.42,;-.87,.02,;-2.16,.86,;-2.16,2.4,;-.83,3.17,;-.83,4.71,;-2.16,5.48,;-3.5,4.71,;-4.83,5.48,;-4.83,7.02,;-6.17,4.71,;-6.17,3.17,;-4.83,2.4,;-3.5,3.17,;3.19,-.27,;4.28,-1.36,;5.77,-.96,;6.17,.53,;5.08,1.61,;3.59,1.22,;-.58,-4.04,;-2.07,-4.44,;-2.47,-5.93,;-1.38,-7.02,;.11,-6.62,;.51,-5.13,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ccnn1C |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,;-3.35,-4.07,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ccnnc1 |(-4.85,.29,;-3.36,-.11,;-2.81,-1.55,;-1.27,-1.47,;-.18,-2.56,;1.3,-2.16,;1.7,-.67,;.61,.42,;-.87,.02,;-2.16,.86,;-2.16,2.4,;-.83,3.17,;-.83,4.71,;-2.16,5.48,;-3.5,4.71,;-4.83,5.48,;-4.83,7.02,;-6.17,4.71,;-6.17,3.17,;-4.83,2.4,;-3.5,3.17,;3.19,-.27,;4.28,-1.36,;5.77,-.96,;6.17,.53,;5.08,1.61,;3.59,1.22,;-.58,-4.04,;-2.07,-4.44,;-2.47,-5.93,;-1.38,-7.02,;.11,-6.62,;.51,-5.13,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ccoc1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;-2.02,-4.84,;-1.94,-6.38,;-.45,-6.78,;.39,-5.48,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ccsc1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;-2.02,-4.84,;-1.94,-6.38,;-.45,-6.78,;.39,-5.48,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cn(C)cn1 |(-4.85,.71,;-3.36,.31,;-2.81,-1.12,;-1.27,-1.04,;-.18,-2.13,;1.3,-1.73,;1.7,-.25,;.61,.84,;-.87,.44,;-2.16,1.28,;-2.16,2.82,;-.83,3.59,;-.83,5.13,;-2.16,5.9,;-3.5,5.13,;-4.83,5.9,;-4.83,7.44,;-6.17,5.13,;-6.17,3.59,;-4.83,2.82,;-3.5,3.59,;3.19,.15,;4.28,-.94,;5.77,-.54,;6.17,.95,;5.08,2.04,;3.59,1.64,;-.58,-3.62,;.39,-4.82,;-.45,-6.11,;.32,-7.44,;-1.94,-5.71,;-2.02,-4.17,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cn[nH]c1 |(-4.85,.71,;-3.36,.31,;-2.81,-1.12,;-1.27,-1.04,;-.18,-2.13,;1.3,-1.73,;1.7,-.25,;.61,.84,;-.87,.44,;-2.16,1.28,;-2.16,2.82,;-.83,3.59,;-.83,5.13,;-2.16,5.9,;-3.5,5.13,;-4.83,5.9,;-4.83,7.44,;-6.17,5.13,;-6.17,3.59,;-4.83,2.82,;-3.5,3.59,;3.19,.15,;4.28,-.94,;5.77,-.54,;6.17,.95,;5.08,2.04,;3.59,1.64,;-.58,-3.62,;-2.02,-4.17,;-1.94,-5.71,;-.45,-6.11,;.39,-4.82,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cnc[nH]1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cnccn1 |(-4.85,.29,;-3.36,-.11,;-2.81,-1.55,;-1.27,-1.47,;-.18,-2.56,;1.3,-2.16,;1.7,-.67,;.61,.42,;-.87,.02,;-2.16,.86,;-2.16,2.4,;-.83,3.17,;-.83,4.71,;-2.16,5.48,;-3.5,4.71,;-4.83,5.48,;-4.83,7.02,;-6.17,4.71,;-6.17,3.17,;-4.83,2.4,;-3.5,3.17,;3.19,-.27,;4.28,-1.36,;5.77,-.96,;6.17,.53,;5.08,1.61,;3.59,1.22,;-.58,-4.04,;-2.07,-4.44,;-2.47,-5.93,;-1.38,-7.02,;.11,-6.62,;.51,-5.13,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cncn1C |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,;-3.35,-4.07,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cncnc1 |(-4.85,.29,;-3.36,-.11,;-2.81,-1.55,;-1.27,-1.47,;-.18,-2.56,;1.3,-2.16,;1.7,-.67,;.61,.42,;-.87,.02,;-2.16,.86,;-2.16,2.4,;-.83,3.17,;-.83,4.71,;-2.16,5.48,;-3.5,4.71,;-4.83,5.48,;-4.83,7.02,;-6.17,4.71,;-6.17,3.17,;-4.83,2.4,;-3.5,3.17,;3.19,-.27,;4.28,-1.36,;5.77,-.96,;6.17,.53,;5.08,1.61,;3.59,1.22,;-.58,-4.04,;.51,-5.13,;.11,-6.62,;-1.38,-7.02,;-2.47,-5.93,;-2.07,-4.44,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cnco1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cncs1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cnn(C)c1 |(-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cnn[nH]1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1cscn1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ncc[nH]1 |(-4.85,0,;-3.36,-.39,;-2.81,-1.83,;-1.27,-1.75,;-.18,-2.84,;1.3,-2.44,;1.7,-.95,;.61,.13,;-.87,-.26,;-2.16,.57,;-2.16,2.11,;-.83,2.88,;-.83,4.42,;-2.16,5.19,;-3.5,4.42,;-4.83,5.19,;-4.83,6.73,;-6.17,4.42,;-6.17,2.88,;-4.83,2.11,;-3.5,2.88,;3.19,-.56,;4.28,-1.64,;5.77,-1.25,;6.17,.24,;5.08,1.33,;3.59,.93,;-.58,-4.33,;.62,-5.3,;.06,-6.73,;-1.47,-6.65,;-1.87,-5.17,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1ncco1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;-2.02,-4.84,;-1.94,-6.38,;-.45,-6.78,;.39,-5.48,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nccs1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc(Cl)[nH]1 |(-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc(Cl)[nH]1 |(-4.85,.51,;-3.36,.11,;-2.81,-1.33,;-1.27,-1.25,;-.18,-2.34,;1.3,-1.94,;1.7,-.45,;.61,.64,;-.87,.24,;-2.16,1.08,;-2.16,2.62,;-.83,3.39,;-.83,4.93,;-2.16,5.7,;-3.5,4.93,;-4.83,5.7,;-4.83,7.24,;-6.17,4.93,;-6.17,3.39,;-4.83,2.62,;-3.5,3.39,;3.19,-.05,;4.28,-1.14,;5.77,-.74,;6.17,.75,;5.08,1.83,;3.59,1.44,;-.58,-3.82,;.62,-4.79,;.06,-6.23,;-1.47,-6.15,;-2.56,-7.24,;-1.87,-4.66,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc([nH]1)C(F)(F)F |(-4.86,1.21,;-3.37,.81,;-2.89,-.65,;-1.35,-.65,;-.32,-1.8,;1.18,-1.48,;1.66,-.01,;.63,1.13,;-.88,.81,;-2.12,1.72,;-2.12,3.26,;-.79,4.03,;-.79,5.57,;-2.12,6.34,;-3.46,5.57,;-4.79,6.34,;-4.79,7.88,;-6.12,5.57,;-6.12,4.03,;-4.79,3.26,;-3.46,4.03,;3.15,.39,;4.24,-.7,;5.72,-.3,;6.12,1.18,;5.03,2.27,;3.55,1.87,;-.72,-3.28,;.18,-4.53,;-.72,-5.78,;-2.18,-5.3,;-2.18,-3.76,;-3.27,-6.39,;-4.76,-5.99,;-3.67,-4.9,;-2.88,-7.88,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc([nH]1)C1CC1 |(-4.86,1.21,;-3.37,.81,;-2.89,-.65,;-1.35,-.65,;-.32,-1.8,;1.18,-1.48,;1.66,-.01,;.63,1.13,;-.88,.81,;-2.12,1.72,;-2.12,3.26,;-.79,4.03,;-.79,5.57,;-2.12,6.34,;-3.46,5.57,;-4.79,6.34,;-4.79,7.88,;-6.12,5.57,;-6.12,4.03,;-4.79,3.26,;-3.46,4.03,;3.15,.39,;4.24,-.7,;5.72,-.3,;6.12,1.18,;5.03,2.27,;3.55,1.87,;-.72,-3.28,;.18,-4.53,;-.72,-5.78,;-2.18,-5.3,;-2.18,-3.76,;-3.27,-6.39,;-4.76,-6.79,;-3.67,-7.88,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(5.29,1.22,;3.75,1.22,;2.84,2.46,;1.38,1.99,;.05,2.76,;-1.29,1.99,;-1.29,.45,;.05,-.32,;1.38,.45,;2.84,-.03,;3.24,-1.52,;4.73,-1.91,;5.13,-3.4,;4.04,-4.49,;2.55,-4.09,;1.46,-5.18,;1.86,-6.67,;-.02,-4.78,;-.42,-3.29,;.67,-2.21,;2.15,-2.6,;-2.62,-.32,;-3.96,.45,;-5.29,-.32,;-5.29,-1.86,;-3.96,-2.63,;-2.62,-1.86,;.05,4.3,;-1.2,5.2,;-.72,6.67,;.82,6.67,;1.29,5.2,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnco1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnn[nH]1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)c(F)ccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.18,.04,;-2.69,-.35,;-2.14,-1.79,;-.6,-1.71,;.48,-2.8,;1.97,-2.4,;2.37,-.91,;1.28,.18,;-.21,-.22,;-1.5,.62,;-1.5,2.16,;-.16,2.93,;-.16,4.47,;-1.5,5.24,;-2.83,4.47,;-4.17,5.24,;-4.17,6.78,;-5.5,4.47,;-6.83,5.24,;-5.5,2.93,;-4.17,2.16,;-2.83,2.93,;3.86,-.52,;4.95,-1.6,;6.43,-1.21,;6.83,.28,;5.74,1.37,;4.26,.97,;.09,-4.29,;1.05,-5.48,;.22,-6.78,;-1.27,-6.38,;-1.35,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)c(F)ccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.19,.16,;-2.7,-.24,;-2.23,-1.7,;-.69,-1.7,;.35,-2.85,;1.85,-2.53,;2.33,-1.06,;1.3,.08,;-.21,-.24,;-1.46,.67,;-1.46,2.21,;-.12,2.98,;-.12,4.52,;-1.46,5.29,;-2.79,4.52,;-4.12,5.29,;-4.12,6.83,;-5.46,4.52,;-6.79,5.29,;-5.46,2.98,;-4.12,2.21,;-2.79,2.98,;3.81,-.66,;4.9,-1.75,;6.39,-1.35,;6.79,.13,;5.7,1.22,;4.21,.82,;-.05,-4.33,;.85,-5.58,;-.05,-6.83,;-1.52,-6.35,;-1.52,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)cc(F)cc12)N1CCOCC1)-c1nnc[nH]1 |(-4.19,.16,;-2.7,-.24,;-2.23,-1.7,;-.69,-1.7,;.35,-2.85,;1.85,-2.53,;2.33,-1.06,;1.3,.08,;-.21,-.24,;-1.46,.67,;-1.46,2.21,;-.12,2.98,;-.12,4.52,;-1.46,5.29,;-2.79,4.52,;-4.12,5.29,;-4.12,6.83,;-5.46,4.52,;-5.46,2.98,;-6.79,2.21,;-4.12,2.21,;-2.79,2.98,;3.81,-.66,;4.9,-1.75,;6.39,-1.35,;6.79,.13,;5.7,1.22,;4.21,.82,;-.05,-4.33,;.85,-5.58,;-.05,-6.83,;-1.52,-6.35,;-1.52,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(Cl)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(Cl)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(Cl)c12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-4.85,-.41,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-4.83,.96,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(Cl)c12)N1CCOCC1)-c1nnc[nH]1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-4.83,.62,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(Cl)c12)N1CCOCC1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1c(F)cnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;2.11,1.91,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1cc(C)nc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.09,2.71,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1cc(C)ncn1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;4.01,-1.27,;5.5,-.87,;6.59,-1.96,;5.9,.62,;4.81,1.71,;3.32,1.31,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1cc(F)ncc1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.89,-1.75,;5.38,-1.35,;6.47,-2.44,;5.78,.13,;4.69,1.22,;3.2,.82,;2.11,1.91,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1cc(N)ncc1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.89,-1.75,;5.38,-1.35,;6.47,-2.44,;5.78,.13,;4.69,1.22,;3.2,.82,;2.11,1.91,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)n1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(Cl)c1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(F)c1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(F)c1C)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(F)c1F)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;5.43,2.71,;3.55,.82,;2.46,1.91,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
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Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
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Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)C(O)=O |(-5.25,-.94,;-3.71,-.94,;-3.24,-2.4,;-1.7,-2.4,;-.67,-3.55,;.84,-3.23,;1.32,-1.76,;.28,-.62,;-1.22,-.94,;-2.47,-.03,;-2.47,1.51,;-1.13,2.28,;-1.13,3.82,;-2.47,4.59,;-3.8,3.82,;-5.13,4.59,;-5.13,6.13,;-6.47,3.82,;-6.47,2.28,;-5.13,1.51,;-5.13,-.03,;-3.8,2.28,;2.8,-1.37,;3.2,.12,;4.69,.52,;5.78,-.57,;5.38,-2.06,;6.47,-3.14,;3.89,-2.45,;3.49,-3.94,;-1.07,-5.04,;-2.55,-5.43,;.02,-6.13,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)C(N)=O |(-5.8,-.94,;-4.26,-.94,;-3.78,-2.4,;-2.24,-2.4,;-1.21,-3.55,;.3,-3.23,;.77,-1.76,;-.26,-.62,;-1.77,-.94,;-3.01,-.03,;-3.01,1.51,;-1.68,2.28,;-1.68,3.82,;-3.01,4.59,;-4.35,3.82,;-5.68,4.59,;-5.68,6.13,;-7.01,3.82,;-7.01,2.28,;-5.68,1.51,;-5.68,-.03,;-4.35,2.28,;2.26,-1.37,;2.66,.12,;4.14,.52,;5.23,-.57,;4.83,-2.06,;3.35,-2.45,;5.92,-3.14,;7.01,-4.23,;-1.61,-5.04,;-.52,-6.13,;-3.1,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C(F)F)-c1nnc[nH]1 |(-6,-.24,;-4.46,-.24,;-3.98,-1.7,;-2.44,-1.7,;-1.41,-2.85,;.1,-2.53,;.57,-1.06,;-.46,.08,;-1.97,-.24,;-3.21,.67,;-3.21,2.21,;-1.88,2.98,;-1.88,4.52,;-3.21,5.29,;-4.54,4.52,;-5.88,5.29,;-5.88,6.83,;-7.21,4.52,;-7.21,2.98,;-5.88,2.21,;-5.88,.67,;-4.54,2.98,;2.06,-.66,;2.46,.82,;3.95,1.22,;5.03,.13,;4.64,-1.35,;3.15,-1.75,;5.72,-2.44,;5.33,-3.93,;7.21,-2.04,;-1.81,-4.33,;-.9,-5.58,;-1.81,-6.83,;-3.27,-6.35,;-3.27,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(n1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.85,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)C(N)=O |(-4.91,-.94,;-3.37,-.94,;-2.89,-2.4,;-1.35,-2.4,;-.32,-3.55,;1.18,-3.23,;1.66,-1.76,;.63,-.62,;-.88,-.94,;-2.12,-.03,;-2.12,1.51,;-.79,2.28,;-.79,3.82,;-2.12,4.59,;-3.46,3.82,;-4.79,4.59,;-4.79,6.13,;-6.12,3.82,;-6.12,2.28,;-4.79,1.51,;-4.79,-.03,;-3.46,2.28,;3.15,-1.37,;4.24,-2.45,;5.72,-2.06,;6.12,-.57,;5.03,.52,;3.55,.12,;-.72,-5.04,;.37,-6.13,;-2.21,-5.43,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ncnc(N)c1C#N)C(N)=O |(-5.31,-.2,;-3.77,-.2,;-3.29,-1.66,;-1.75,-1.66,;-.72,-2.81,;.79,-2.48,;1.26,-1.02,;.23,.12,;-1.27,-.2,;-2.52,.71,;-2.52,2.25,;-1.19,3.02,;-1.19,4.56,;-2.52,5.33,;-3.85,4.56,;-5.19,5.33,;-5.19,6.87,;-6.52,4.56,;-6.52,3.02,;-5.19,2.25,;-5.19,.71,;-3.85,3.02,;2.75,-.62,;3.84,-1.71,;5.33,-1.31,;5.72,.18,;4.64,1.26,;5.03,2.75,;3.15,.87,;2.06,1.95,;.97,3.04,;-1.12,-4.29,;-.03,-5.38,;-2.61,-4.69,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-4.85,-.41,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-4.83,.96,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
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Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1cnn[nH]1 |(-4.91,-.26,;-3.37,-.26,;-2.89,-1.72,;-1.35,-1.72,;-.32,-2.87,;1.18,-2.55,;1.66,-1.08,;.63,.06,;-.88,-.26,;-2.12,.65,;-2.12,2.22,;-.79,2.99,;-.79,4.53,;-2.12,5.3,;-3.46,4.53,;-4.79,5.3,;-4.79,6.84,;-6.12,4.53,;-6.12,2.99,;-4.79,2.22,;-4.79,.68,;-3.46,2.99,;3.15,-.68,;4.24,-1.77,;5.72,-1.37,;6.12,.11,;5.03,1.2,;3.55,.81,;-.72,-4.35,;.18,-5.6,;-.72,-6.84,;-2.18,-6.37,;-2.18,-4.83,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1ncco1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-4.83,.62,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nnc(Cl)[nH]1 |(-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-4.83,.96,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nnc(N)[nH]1 |(-4.91,.66,;-3.37,.66,;-2.89,-.8,;-1.35,-.8,;-.32,-1.95,;1.18,-1.63,;1.66,-.16,;.63,.98,;-.88,.66,;-2.12,1.57,;-2.12,3.14,;-.79,3.91,;-.79,5.45,;-2.12,6.22,;-3.46,5.45,;-4.79,6.22,;-4.79,7.76,;-6.12,5.45,;-6.12,3.91,;-4.79,3.14,;-4.79,1.6,;-3.46,3.91,;3.15,.24,;4.24,-.85,;5.72,-.46,;6.12,1.03,;5.03,2.12,;3.55,1.72,;-.72,-3.44,;.18,-4.68,;-.72,-5.93,;-2.18,-5.45,;-3.52,-6.22,;-2.18,-3.91,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.2,.16,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.2,.16,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.75,.16,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-4.85,.39,;-3.36,-.01,;-2.81,-1.45,;-1.27,-1.37,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,;-.58,-3.94,;.39,-5.14,;-.45,-6.43,;-1.94,-6.03,;-3.03,-7.12,;-2.02,-4.49,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1cnc[nH]1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1ncco1 |(-4.85,.04,;-3.36,-.35,;-2.81,-1.79,;-1.27,-1.71,;-.18,-2.8,;1.3,-2.4,;1.7,-.91,;.61,.18,;-.87,-.22,;-2.16,.62,;-2.16,2.16,;-.83,2.93,;-.83,4.47,;-2.16,5.24,;-3.5,4.47,;-4.83,5.24,;-4.83,6.78,;-6.17,4.47,;-6.17,2.93,;-4.83,2.16,;-3.5,2.93,;3.19,-.52,;4.28,-1.6,;5.77,-1.21,;6.17,.28,;5.08,1.37,;3.59,.97,;-.58,-4.29,;.39,-5.48,;-.45,-6.78,;-1.94,-6.38,;-2.02,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.86,.16,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(cccc12)-c1cccc(c1)C(N)=O)N1CCOCC1)-c1cccc(c1)C(N)=O |(-4.85,-1.32,;-3.36,-1.72,;-2.81,-3.15,;-1.27,-3.07,;-.18,-4.16,;1.3,-3.76,;1.7,-2.28,;.61,-1.19,;-.87,-1.59,;-2.16,-.75,;-2.16,.79,;-.83,1.56,;-.83,3.1,;-2.16,3.87,;-3.5,3.1,;-4.83,3.87,;-6.17,3.1,;-6.17,1.56,;-4.83,.79,;-3.5,1.56,;-4.83,5.41,;-6.17,6.18,;-6.17,7.72,;-4.83,8.49,;-3.5,7.72,;-3.5,6.18,;-2.16,8.49,;-2.16,10.03,;-.83,7.72,;3.19,-1.88,;4.28,-2.97,;5.77,-2.57,;6.17,-1.08,;5.08,.01,;3.59,-.39,;-.58,-5.65,;-2.07,-6.05,;-2.47,-7.54,;-1.38,-8.62,;.11,-8.23,;.51,-6.74,;1.2,-9.32,;2.69,-8.92,;.8,-10.8,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(cccc12)-c1ccccc1)N1CCOCC1)-c1ccccc1 |(-4.85,-1.25,;-3.36,-1.65,;-2.81,-3.09,;-1.27,-3.01,;-.18,-4.1,;1.3,-3.7,;1.7,-2.21,;.61,-1.12,;-.87,-1.52,;-2.16,-.68,;-2.16,.86,;-.83,1.63,;-.83,3.17,;-2.16,3.94,;-3.5,3.17,;-4.83,3.94,;-6.17,3.17,;-6.17,1.63,;-4.83,.86,;-3.5,1.63,;-4.83,5.48,;-3.5,6.25,;-3.5,7.79,;-4.83,8.56,;-6.17,7.79,;-6.17,6.25,;3.19,-1.81,;4.28,-2.9,;5.77,-2.5,;6.17,-1.01,;5.08,.07,;3.59,-.32,;-.58,-5.58,;-2.07,-5.98,;-2.47,-7.47,;-1.38,-8.56,;.11,-8.16,;.51,-6.67,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(cccc12)-c1cccnc1)N1CCOCC1)-c1cccnc1 |(-4.85,-1.25,;-3.36,-1.65,;-2.81,-3.09,;-1.27,-3.01,;-.18,-4.1,;1.3,-3.7,;1.7,-2.21,;.61,-1.12,;-.87,-1.52,;-2.16,-.68,;-2.16,.86,;-.83,1.63,;-.83,3.17,;-2.16,3.94,;-3.5,3.17,;-4.83,3.94,;-6.17,3.17,;-6.17,1.63,;-4.83,.86,;-3.5,1.63,;-4.83,5.48,;-6.17,6.25,;-6.17,7.79,;-4.83,8.56,;-3.5,7.79,;-3.5,6.25,;3.19,-1.81,;4.28,-2.9,;5.77,-2.5,;6.17,-1.01,;5.08,.07,;3.59,-.32,;-.58,-5.58,;.51,-6.67,;.11,-8.16,;-1.38,-8.56,;-2.47,-7.47,;-2.07,-5.98,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(cccc12)-c1ccncc1)N1CCOCC1)-c1ccncc1 |(-4.85,-1.25,;-3.36,-1.65,;-2.81,-3.09,;-1.27,-3.01,;-.18,-4.1,;1.3,-3.7,;1.7,-2.21,;.61,-1.12,;-.87,-1.52,;-2.16,-.68,;-2.16,.86,;-.83,1.63,;-.83,3.17,;-2.16,3.94,;-3.5,3.17,;-4.83,3.94,;-6.17,3.17,;-6.17,1.63,;-4.83,.86,;-3.5,1.63,;-4.83,5.48,;-3.5,6.25,;-3.5,7.79,;-4.83,8.56,;-6.17,7.79,;-6.17,6.25,;3.19,-1.81,;4.28,-2.9,;5.77,-2.5,;6.17,-1.01,;5.08,.07,;3.59,-.32,;-.58,-5.58,;-2.07,-5.98,;-2.47,-7.47,;-1.38,-8.56,;.11,-8.16,;.51,-6.67,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(cccc12)C#N)N1CCOCC1)-c1nnc[nH]1 |(-4.86,-.61,;-3.37,-1.01,;-2.89,-2.47,;-1.35,-2.47,;-.32,-3.62,;1.18,-3.3,;1.66,-1.83,;.63,-.69,;-.88,-1.01,;-2.12,-.1,;-2.12,1.44,;-.79,2.21,;-.79,3.75,;-2.12,4.52,;-3.46,3.75,;-4.79,4.52,;-6.12,3.75,;-6.12,2.21,;-4.79,1.44,;-3.46,2.21,;-4.79,6.06,;-4.79,7.6,;3.15,-1.43,;4.24,-2.52,;5.72,-2.12,;6.12,-.64,;5.03,.45,;3.55,.05,;-.72,-5.1,;.18,-6.35,;-.72,-7.6,;-2.18,-7.12,;-2.18,-5.58,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(cccc12)C(F)(F)F)N1CCOCC1)-c1nnc[nH]1 |(-4.86,-.61,;-3.37,-1.01,;-2.89,-2.47,;-1.35,-2.47,;-.32,-3.62,;1.18,-3.3,;1.66,-1.83,;.63,-.69,;-.88,-1.01,;-2.12,-.1,;-2.12,1.44,;-.79,2.21,;-.79,3.75,;-2.12,4.52,;-3.46,3.75,;-4.79,4.52,;-6.12,3.75,;-6.12,2.21,;-4.79,1.44,;-3.46,2.21,;-4.79,6.06,;-6.12,6.83,;-3.46,6.83,;-4.79,7.6,;3.15,-1.43,;4.24,-2.52,;5.72,-2.12,;6.12,-.64,;5.03,.45,;3.55,.05,;-.72,-5.1,;.18,-6.35,;-.72,-7.6,;-2.18,-7.12,;-2.18,-5.58,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(cccc12)C(F)F)N1CCOCC1)-c1nnc[nH]1 |(-4.86,-.22,;-3.37,-.62,;-2.89,-2.09,;-1.35,-2.09,;-.32,-3.23,;1.18,-2.91,;1.66,-1.45,;.63,-.3,;-.88,-.62,;-2.12,.28,;-2.12,1.82,;-.79,2.59,;-.79,4.13,;-2.12,4.9,;-3.46,4.13,;-4.79,4.9,;-6.12,4.13,;-6.12,2.59,;-4.79,1.82,;-3.46,2.59,;-4.79,6.44,;-6.12,7.21,;-3.46,7.21,;3.15,-1.05,;4.24,-2.14,;5.72,-1.74,;6.12,-.25,;5.03,.84,;3.55,.44,;-.72,-4.72,;.18,-5.97,;-.72,-7.21,;-2.18,-6.74,;-2.18,-5.2,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cc(F)cc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.33,.53,;-3.79,.53,;-3.31,-.93,;-1.77,-.93,;-.74,-2.08,;.76,-1.76,;1.24,-.29,;.21,.85,;-1.3,.53,;-2.54,1.44,;-2.54,2.98,;-1.21,3.75,;-1.21,5.29,;-2.54,6.06,;-3.88,5.29,;-5.21,6.06,;-6.55,5.29,;-7.88,6.06,;-6.55,3.75,;-5.21,2.98,;-5.21,1.44,;-3.88,3.75,;2.73,.11,;3.12,1.59,;4.61,1.99,;5.7,.9,;5.3,-.58,;6.39,-1.67,;3.81,-.98,;3.42,-2.47,;-1.14,-3.56,;-.24,-4.81,;-1.14,-6.06,;-2.61,-5.58,;-2.61,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cc(F)cc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.13,.53,;-3.59,.53,;-3.11,-.93,;-1.57,-.93,;-.54,-2.08,;.96,-1.76,;1.44,-.29,;.41,.85,;-1.1,.53,;-2.34,1.44,;-2.34,2.98,;-1.01,3.75,;-1.01,5.29,;-2.34,6.06,;-3.68,5.29,;-5.01,6.06,;-6.35,5.29,;-7.68,6.06,;-6.35,3.75,;-5.01,2.98,;-5.01,1.44,;-3.68,3.75,;2.93,.11,;3.32,1.59,;4.81,1.99,;5.9,.9,;5.5,-.58,;4.01,-.98,;6.59,-1.67,;7.68,-2.76,;-.94,-3.56,;-.04,-4.81,;-.94,-6.06,;-2.41,-5.58,;-2.41,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cc(F)cc(F)c12)N1CCOCC1)-c1nnc[nH]1 |(-4.19,.93,;-2.7,.53,;-2.23,-.93,;-.69,-.93,;.35,-2.08,;1.85,-1.76,;2.33,-.29,;1.3,.85,;-.21,.53,;-1.46,1.44,;-1.46,2.98,;-.12,3.75,;-.12,5.29,;-1.46,6.06,;-2.79,5.29,;-4.12,6.06,;-5.46,5.29,;-6.79,6.06,;-5.46,3.75,;-4.12,2.98,;-4.12,1.44,;-2.79,3.75,;3.81,.11,;4.9,-.98,;6.39,-.58,;6.79,.9,;5.7,1.99,;4.21,1.59,;-.05,-3.56,;.85,-4.81,;-.05,-6.06,;-1.52,-5.58,;-1.52,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cc(F)ccc12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-4.53,.93,;-3.05,.53,;-2.57,-.93,;-1.03,-.93,;,-2.08,;1.51,-1.76,;1.98,-.29,;.95,.85,;-.55,.53,;-1.8,1.44,;-1.8,2.98,;-.47,3.75,;-.47,5.29,;-1.8,6.06,;-3.13,5.29,;-4.47,6.06,;-5.8,5.29,;-7.14,6.06,;-5.8,3.75,;-4.47,2.98,;-3.13,3.75,;3.47,.11,;3.87,1.59,;5.36,1.99,;6.44,.9,;6.05,-.58,;7.14,-1.67,;4.56,-.98,;-.4,-3.56,;.51,-4.81,;-.4,-6.06,;-1.86,-5.58,;-1.86,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cc(F)ccc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-4.18,1.16,;-2.69,.76,;-2.14,-.68,;-.6,-.6,;.48,-1.68,;1.97,-1.29,;2.37,.2,;1.28,1.29,;-.21,.89,;-1.5,1.73,;-1.5,3.27,;-.16,4.04,;-.16,5.58,;-1.5,6.35,;-2.83,5.58,;-4.17,6.35,;-5.5,5.58,;-6.83,6.35,;-5.5,4.04,;-4.17,3.27,;-2.83,4.04,;3.86,.6,;4.95,-.49,;6.43,-.09,;6.83,1.4,;5.74,2.49,;4.26,2.09,;.09,-3.17,;1.05,-4.37,;.22,-5.66,;-1.27,-5.26,;-2.36,-6.35,;-1.35,-3.72,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cc(F)ccc12)N1CCOCC1)-c1n[nH]c(=O)o1 |(-4.19,1.67,;-2.7,1.28,;-2.23,-.19,;-.69,-.19,;.35,-1.33,;1.85,-1.01,;2.33,.45,;1.3,1.6,;-.21,1.28,;-1.46,2.18,;-1.46,3.72,;-.12,4.49,;-.12,6.03,;-1.46,6.8,;-2.79,6.03,;-4.12,6.8,;-5.46,6.03,;-6.79,6.8,;-5.46,4.49,;-4.12,3.72,;-2.79,4.49,;3.81,.85,;4.9,-.24,;6.39,.16,;6.79,1.65,;5.7,2.74,;4.21,2.34,;-.05,-2.82,;.85,-4.07,;-.05,-5.31,;-1.52,-4.84,;-2.61,-5.93,;-1.52,-3.3,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cc(F)ccc12)N1CCOCC1)-c1n[nH]c(=S)o1 |(-4.19,1.6,;-2.7,1.2,;-2.23,-.27,;-.69,-.27,;.35,-1.41,;1.85,-1.09,;2.33,.37,;1.3,1.52,;-.21,1.2,;-1.46,2.1,;-1.46,3.64,;-.12,4.41,;-.12,5.95,;-1.46,6.72,;-2.79,5.95,;-4.12,6.72,;-5.46,5.95,;-6.79,6.72,;-5.46,4.41,;-4.12,3.64,;-2.79,4.41,;3.81,.77,;4.9,-.32,;6.39,.08,;6.79,1.57,;5.7,2.66,;4.21,2.26,;-.05,-2.9,;.85,-4.14,;-.05,-5.39,;-1.52,-4.91,;-2.61,-6,;-1.52,-3.37,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cc(F)ccc12)N1CCOCC1)-c1nnc(N)o1 |(-4.19,1.98,;-2.7,1.58,;-2.23,.12,;-.69,.12,;.35,-1.03,;1.85,-.71,;2.33,.76,;1.3,1.9,;-.21,1.58,;-1.46,2.49,;-1.46,4.03,;-.12,4.8,;-.12,6.34,;-1.46,7.11,;-2.79,6.34,;-4.12,7.11,;-5.46,6.34,;-6.79,7.11,;-5.46,4.8,;-4.12,4.03,;-2.79,4.8,;3.81,1.16,;4.9,.07,;6.39,.47,;6.79,1.95,;5.7,3.04,;4.21,2.64,;-.05,-2.51,;.85,-3.76,;-.05,-5.01,;-1.52,-4.53,;-2.61,-5.62,;-1.52,-2.99,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cc(F)ccc12)N1CCOCC1)-c1nnc(N)s1 |(-4.19,1.98,;-2.7,1.58,;-2.23,.12,;-.69,.12,;.35,-1.03,;1.85,-.71,;2.33,.76,;1.3,1.9,;-.21,1.58,;-1.46,2.49,;-1.46,4.03,;-.12,4.8,;-.12,6.34,;-1.46,7.11,;-2.79,6.34,;-4.12,7.11,;-5.46,6.34,;-6.79,7.11,;-5.46,4.8,;-4.12,4.03,;-2.79,4.8,;3.81,1.16,;4.9,.07,;6.39,.47,;6.79,1.95,;5.7,3.04,;4.21,2.64,;-.05,-2.51,;.85,-3.76,;-.05,-5.01,;-1.52,-4.53,;-2.61,-5.62,;-1.52,-2.99,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cc(F)ccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.19,.93,;-2.7,.53,;-2.23,-.93,;-.69,-.93,;.35,-2.08,;1.85,-1.76,;2.33,-.29,;1.3,.85,;-.21,.53,;-1.46,1.44,;-1.46,2.98,;-.12,3.75,;-.12,5.29,;-1.46,6.06,;-2.79,5.29,;-4.12,6.06,;-5.46,5.29,;-6.79,6.06,;-5.46,3.75,;-4.12,2.98,;-2.79,3.75,;3.81,.11,;4.9,-.98,;6.39,-.58,;6.79,.9,;5.7,1.99,;4.21,1.59,;-.05,-3.56,;.85,-4.81,;-.05,-6.06,;-1.52,-5.58,;-1.52,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cccc(C(F)F)c12)N1CCOCC1)-c1nnc[nH]1 |(-4.23,.93,;-2.75,.53,;-2.27,-.93,;-.73,-.93,;.3,-2.08,;1.81,-1.76,;2.28,-.29,;1.25,.85,;-.25,.53,;-1.5,1.44,;-1.5,2.98,;-.17,3.75,;-.17,5.29,;-1.5,6.06,;-2.83,5.29,;-4.17,6.06,;-5.5,5.29,;-5.5,3.75,;-4.17,2.98,;-5.26,1.89,;-6.74,2.29,;-4.86,.4,;-2.83,3.75,;3.77,.11,;4.86,-.98,;6.35,-.58,;6.74,.9,;5.66,1.99,;4.17,1.59,;-.1,-3.56,;.81,-4.81,;-.1,-6.06,;-1.56,-5.58,;-1.56,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cccc(C)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.86,.93,;-3.37,.53,;-2.89,-.93,;-1.35,-.93,;-.32,-2.08,;1.18,-1.76,;1.66,-.29,;.63,.85,;-.88,.53,;-2.12,1.44,;-2.12,2.98,;-.79,3.75,;-.79,5.29,;-2.12,6.06,;-3.46,5.29,;-4.79,6.06,;-6.12,5.29,;-6.12,3.75,;-4.79,2.98,;-4.79,1.44,;-3.46,3.75,;3.15,.11,;4.24,-.98,;5.72,-.58,;6.12,.9,;5.03,1.99,;3.55,1.59,;-.72,-3.56,;.18,-4.81,;-.72,-6.06,;-2.18,-5.58,;-2.18,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cccc(C)c12)-c1ccncc1)C(N)=O |(-4.86,.23,;-3.37,-.17,;-2.89,-1.63,;-1.35,-1.63,;-.32,-2.78,;1.18,-2.46,;1.66,-.99,;.63,.15,;-.88,-.17,;-2.12,.74,;-2.12,2.28,;-.79,3.05,;-.79,4.59,;-2.12,5.36,;-3.46,4.59,;-4.79,5.36,;-6.12,4.59,;-6.12,3.05,;-4.79,2.28,;-4.79,.74,;-3.46,3.05,;3.15,-.6,;4.24,-1.68,;5.72,-1.29,;6.12,.2,;5.03,1.29,;3.55,.89,;-.72,-4.27,;.37,-5.36,;-2.21,-4.66,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cccc(C)c12)N1CCOCC1)-c1nnc[nH]1 |(-4.86,.93,;-3.37,.53,;-2.89,-.93,;-1.35,-.93,;-.32,-2.08,;1.18,-1.76,;1.66,-.29,;.63,.85,;-.88,.53,;-2.12,1.44,;-2.12,2.98,;-.79,3.75,;-.79,5.29,;-2.12,6.06,;-3.46,5.29,;-4.79,6.06,;-6.12,5.29,;-6.12,3.75,;-4.79,2.98,;-4.79,1.44,;-3.46,3.75,;3.15,.11,;4.24,-.98,;5.72,-.58,;6.12,.9,;5.03,1.99,;3.55,1.59,;-.72,-3.56,;.18,-4.81,;-.72,-6.06,;-2.18,-5.58,;-2.18,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cccc(Cl)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,.53,;-4.26,.53,;-3.78,-.93,;-2.24,-.93,;-1.21,-2.08,;.3,-1.76,;.77,-.29,;-.26,.85,;-1.77,.53,;-3.01,1.44,;-3.01,2.98,;-1.68,3.75,;-1.68,5.29,;-3.01,6.06,;-4.35,5.29,;-5.68,6.06,;-7.01,5.29,;-7.01,3.75,;-5.68,2.98,;-5.68,1.44,;-4.35,3.75,;2.26,.11,;2.66,1.59,;4.14,1.99,;5.23,.9,;4.83,-.58,;3.35,-.98,;5.92,-1.67,;7.01,-2.76,;-1.61,-3.56,;-.7,-4.81,;-1.61,-6.06,;-3.07,-5.58,;-3.07,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cccc(Cl)c12)N1CCOCC1)-c1nnc[nH]1 |(-4.91,.53,;-3.37,.53,;-2.89,-.93,;-1.35,-.93,;-.32,-2.08,;1.18,-1.76,;1.66,-.29,;.63,.85,;-.88,.53,;-2.12,1.44,;-2.12,2.98,;-.79,3.75,;-.79,5.29,;-2.12,6.06,;-3.46,5.29,;-4.79,6.06,;-6.12,5.29,;-6.12,3.75,;-4.79,2.98,;-4.79,1.44,;-3.46,3.75,;3.15,.11,;4.24,-.98,;5.72,-.58,;6.12,.9,;5.03,1.99,;3.55,1.59,;-.72,-3.56,;.18,-4.81,;-.72,-6.06,;-2.18,-5.58,;-2.18,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.2,.93,;-3.71,.53,;-3.24,-.93,;-1.7,-.93,;-.67,-2.08,;.84,-1.76,;1.32,-.29,;.28,.85,;-1.22,.53,;-2.47,1.44,;-2.47,2.98,;-1.13,3.75,;-1.13,5.29,;-2.47,6.06,;-3.8,5.29,;-5.13,6.06,;-6.47,5.29,;-6.47,3.75,;-5.13,2.98,;-5.13,1.62,;-3.8,3.75,;2.8,.11,;3.2,1.59,;4.69,1.99,;5.78,.9,;5.38,-.58,;6.47,-1.67,;3.89,-.98,;-1.07,-3.56,;-.16,-4.81,;-1.07,-6.06,;-2.53,-5.58,;-2.53,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,.53,;-3.71,.53,;-3.24,-.93,;-1.7,-.93,;-.67,-2.08,;.84,-1.76,;1.32,-.29,;.28,.85,;-1.22,.53,;-2.47,1.44,;-2.47,2.98,;-1.13,3.75,;-1.13,5.29,;-2.47,6.06,;-3.8,5.29,;-5.13,6.06,;-6.47,5.29,;-6.47,3.75,;-5.13,2.98,;-5.13,1.44,;-3.8,3.75,;2.8,.11,;3.2,1.59,;4.69,1.99,;5.78,.9,;5.38,-.58,;6.47,-1.67,;3.89,-.98,;3.49,-2.47,;-1.07,-3.56,;-.16,-4.81,;-1.07,-6.06,;-2.53,-5.58,;-2.53,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,.53,;-4.26,.53,;-3.78,-.93,;-2.24,-.93,;-1.21,-2.08,;.3,-1.76,;.77,-.29,;-.26,.85,;-1.77,.53,;-3.01,1.44,;-3.01,2.98,;-1.68,3.75,;-1.68,5.29,;-3.01,6.06,;-4.35,5.29,;-5.68,6.06,;-7.01,5.29,;-7.01,3.75,;-5.68,2.98,;-5.68,1.44,;-4.35,3.75,;2.26,.11,;2.66,1.59,;4.14,1.99,;5.23,.9,;4.83,-.58,;3.35,-.98,;5.92,-1.67,;7.01,-2.76,;-1.61,-3.56,;-.7,-4.81,;-1.61,-6.06,;-3.07,-5.58,;-3.07,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,.53,;-3.37,.53,;-2.89,-.93,;-1.35,-.93,;-.32,-2.08,;1.18,-1.76,;1.66,-.29,;.63,.85,;-.88,.53,;-2.12,1.44,;-2.12,2.98,;-.79,3.75,;-.79,5.29,;-2.12,6.06,;-3.46,5.29,;-4.79,6.06,;-6.12,5.29,;-6.12,3.75,;-4.79,2.98,;-4.79,1.44,;-3.46,3.75,;3.15,.11,;4.24,-.98,;5.72,-.58,;6.12,.9,;5.03,1.99,;3.55,1.59,;-.72,-3.56,;.18,-4.81,;-.72,-6.06,;-2.18,-5.58,;-2.18,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cccc(F)c12)-c1ccncc1)C(N)=O |(-4.91,-.17,;-3.37,-.17,;-2.89,-1.63,;-1.35,-1.63,;-.32,-2.78,;1.18,-2.46,;1.66,-.99,;.63,.15,;-.88,-.17,;-2.12,.74,;-2.12,2.28,;-.79,3.05,;-.79,4.59,;-2.12,5.36,;-3.46,4.59,;-4.79,5.36,;-6.12,4.59,;-6.12,3.05,;-4.79,2.28,;-4.79,.74,;-3.46,3.05,;3.15,-.6,;4.24,-1.68,;5.72,-1.29,;6.12,.2,;5.03,1.29,;3.55,.89,;-.72,-4.27,;.37,-5.36,;-2.21,-4.66,)|
Cc1nc2c(cc(cc2n1-c1ccnc2cccc(F)c12)N1CCOCC1)-c1nnc[nH]1 |(-4.91,.53,;-3.37,.53,;-2.89,-.93,;-1.35,-.93,;-.32,-2.08,;1.18,-1.76,;1.66,-.29,;.63,.85,;-.88,.53,;-2.12,1.44,;-2.12,2.98,;-.79,3.75,;-.79,5.29,;-2.12,6.06,;-3.46,5.29,;-4.79,6.06,;-6.12,5.29,;-6.12,3.75,;-4.79,2.98,;-4.79,1.44,;-3.46,3.75,;3.15,.11,;4.24,-.98,;5.72,-.58,;6.12,.9,;5.03,1.99,;3.55,1.59,;-.72,-3.56,;.18,-4.81,;-.72,-6.06,;-2.18,-5.58,;-2.18,-4.04,)|
Cc1nc2c(cc(cc2n1-c1ccnc2ccccc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-4.85,1.16,;-3.36,.76,;-2.81,-.68,;-1.27,-.6,;-.18,-1.68,;1.3,-1.29,;1.7,.2,;.61,1.29,;-.87,.89,;-2.16,1.73,;-2.16,3.27,;-.83,4.04,;-.83,5.58,;-2.16,6.35,;-3.5,5.58,;-4.83,6.35,;-6.17,5.58,;-6.17,4.04,;-4.83,3.27,;-3.5,4.04,;3.19,.6,;4.28,-.49,;5.77,-.09,;6.17,1.4,;5.08,2.49,;3.59,2.09,;-.58,-3.17,;.39,-4.37,;-.45,-5.66,;-1.94,-5.26,;-3.03,-6.35,;-2.02,-3.72,)|
Cc1nc2c(cc(cc2n1-c1ccnc2ccccc12)N1CCOCC1)-c1cscn1 |(-4.85,.81,;-3.36,.42,;-2.81,-1.02,;-1.27,-.94,;-.18,-2.03,;1.3,-1.63,;1.7,-.14,;.61,.95,;-.87,.55,;-2.16,1.39,;-2.16,2.93,;-.83,3.7,;-.83,5.24,;-2.16,6.01,;-3.5,5.24,;-4.83,6.01,;-6.17,5.24,;-6.17,3.7,;-4.83,2.93,;-3.5,3.7,;3.19,.25,;4.28,-.83,;5.77,-.44,;6.17,1.05,;5.08,2.14,;3.59,1.74,;-.58,-3.52,;.39,-4.71,;-.45,-6.01,;-1.94,-5.61,;-2.02,-4.07,)|
Cc1nc2c(cc(cc2n1-c1ccnc2ccccc12)N1CCOCC1)-c1nnc[nH]1 |(-4.86,.93,;-3.37,.53,;-2.89,-.93,;-1.35,-.93,;-.32,-2.08,;1.18,-1.76,;1.66,-.29,;.63,.85,;-.88,.53,;-2.12,1.44,;-2.12,2.98,;-.79,3.75,;-.79,5.29,;-2.12,6.06,;-3.46,5.29,;-4.79,6.06,;-6.12,5.29,;-6.12,3.75,;-4.79,2.98,;-3.46,3.75,;3.15,.11,;4.24,-.98,;5.72,-.58,;6.12,.9,;5.03,1.99,;3.55,1.59,;-.72,-3.56,;.18,-4.81,;-.72,-6.06,;-2.18,-5.58,;-2.18,-4.04,)|
Cc1nc2ccc(cn2c1C(=O)N1CCOCC1)-c1ccc2oc(N)nc2c1
Cc1nc2ccc(nn2c1-c1ccncc1)-c1ccc2oc(N)nc2c1
Cc1nc[nH]c1-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(2.1,-4.9,;.62,-5.3,;.06,-6.73,;-1.47,-6.65,;-1.87,-5.17,;-.58,-4.33,;-.18,-2.84,;1.3,-2.44,;1.7,-.95,;.61,.13,;-.87,-.26,;-2.16,.57,;-3.36,-.39,;-4.85,0,;-2.81,-1.83,;-1.27,-1.75,;-2.16,2.11,;-.83,2.88,;-.83,4.42,;-2.16,5.19,;-3.5,4.42,;-4.83,5.19,;-4.83,6.73,;-6.17,4.42,;-6.17,2.88,;-4.83,2.11,;-3.5,2.88,;3.19,-.56,;4.28,-1.64,;5.77,-1.25,;6.17,.24,;5.08,1.33,;3.59,.93,)|
Cc1ncc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(.32,-7.44,;-.45,-6.11,;-1.94,-5.71,;-2.02,-4.17,;-.58,-3.62,;.39,-4.82,;-.18,-2.13,;1.3,-1.73,;1.7,-.25,;.61,.84,;-.87,.44,;-2.16,1.28,;-3.36,.31,;-4.85,.71,;-2.81,-1.12,;-1.27,-1.04,;-2.16,2.82,;-.83,3.59,;-.83,5.13,;-2.16,5.9,;-3.5,5.13,;-4.83,5.9,;-4.83,7.44,;-6.17,5.13,;-6.17,3.59,;-4.83,2.82,;-3.5,3.59,;3.19,.15,;4.28,-.94,;5.77,-.54,;6.17,.95,;5.08,2.04,;3.59,1.64,)|
Cc1ncc(s1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-3.03,-7.12,;-1.94,-6.03,;-.45,-6.43,;.39,-5.14,;-.58,-3.94,;-2.02,-4.49,;-.18,-2.45,;1.3,-2.06,;1.7,-.57,;.61,.52,;-.87,.12,;-2.16,.96,;-3.36,-.01,;-4.85,.39,;-2.81,-1.45,;-1.27,-1.37,;-2.16,2.5,;-.83,3.27,;-.83,4.81,;-2.16,5.58,;-3.5,4.81,;-4.83,5.58,;-4.83,7.12,;-6.17,4.81,;-6.17,3.27,;-4.83,2.5,;-3.5,3.27,;3.19,-.17,;4.28,-1.26,;5.77,-.86,;6.17,.63,;5.08,1.72,;3.59,1.32,)|
Cc1ncccc1-c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1nccn1-c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1nccn1C1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1nccn1C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1nccn1C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1
Cc1nccn1C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
Cc1nccn1CCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cc1nn(C)cc1-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
Cc1nn(C)cc1-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
Cc1nn(C)cc1-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)C(C)(C)C(N)=O
Cc1nn(C)cc1-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(CC1)C(N)=O
Cc1nn(C)cc1-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(O)CC1
Cc1nn(C)cc1-c1nc2n(C)c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(CC1)N1CCOCC1
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1c(Cl)cnc2c(Cl)cccc12)N1CCOCC1 |(-3.52,-6.99,;-2.18,-6.22,;-.72,-6.7,;.18,-5.45,;-.72,-4.21,;-2.18,-4.68,;-.32,-2.72,;1.18,-2.4,;1.66,-.93,;.63,.21,;-.88,-.11,;-2.12,.8,;-3.37,-.11,;-4.7,.66,;-2.89,-1.57,;-1.35,-1.57,;-2.12,2.37,;-.79,3.14,;.55,2.37,;-.79,4.68,;-2.12,5.45,;-3.46,4.68,;-4.79,5.45,;-4.79,6.99,;-6.12,4.68,;-6.12,3.14,;-4.79,2.37,;-3.46,3.14,;3.15,-.53,;4.24,-1.62,;5.72,-1.23,;6.12,.26,;5.03,1.35,;3.55,.95,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1c(Cl)cnc2c(F)cccc12)N1CCOCC1 |(-3.27,-7.13,;-2.18,-6.04,;-.72,-6.52,;.18,-5.27,;-.72,-4.03,;-2.18,-4.5,;-.32,-2.54,;1.18,-2.22,;1.66,-.76,;.63,.39,;-.88,.07,;-2.12,.97,;-3.37,.07,;-4.86,.47,;-2.89,-1.4,;-1.35,-1.4,;-2.12,2.51,;-.79,3.28,;.55,2.51,;-.79,4.82,;-2.12,5.59,;-3.46,4.82,;-4.79,5.59,;-4.79,7.13,;-6.12,4.82,;-6.12,3.28,;-4.79,2.51,;-3.46,3.28,;3.15,-.36,;4.24,-1.45,;5.72,-1.05,;6.12,.44,;5.03,1.53,;3.55,1.13,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1c(F)cnc2ccccc12)N1CCOCC1 |(-3.52,-6.22,;-2.18,-5.45,;-.72,-5.93,;.18,-4.68,;-.72,-3.44,;-2.18,-3.91,;-.32,-1.95,;1.18,-1.63,;1.66,-.16,;.63,.98,;-.88,.66,;-2.12,1.57,;-3.37,.66,;-4.7,1.43,;-2.89,-.8,;-1.35,-.8,;-2.12,3.14,;-.79,3.91,;.55,3.14,;-.79,5.45,;-2.12,6.22,;-3.46,5.45,;-4.79,6.22,;-6.12,5.45,;-6.12,3.91,;-4.79,3.14,;-3.46,3.91,;3.15,.24,;4.24,-.85,;5.72,-.46,;6.12,1.03,;5.03,2.12,;3.55,1.72,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1cc(nc2ccccc12)-c1cscn1)N1CCOCC1 |(-3.27,-7.37,;-2.18,-6.28,;-.72,-6.76,;.18,-5.51,;-.72,-4.27,;-2.18,-4.74,;-.32,-2.78,;1.18,-2.46,;1.66,-.99,;.63,.15,;-.88,-.17,;-2.12,.74,;-3.37,-.17,;-4.86,.23,;-2.89,-1.63,;-1.35,-1.63,;-2.12,2.28,;-.79,3.05,;-.79,4.59,;-2.12,5.36,;-3.46,4.59,;-4.79,5.36,;-6.12,4.59,;-6.12,3.05,;-4.79,2.28,;-3.46,3.05,;.55,5.36,;2.01,4.88,;2.91,6.13,;2.01,7.37,;.55,6.9,;3.15,-.6,;4.24,-1.68,;5.72,-1.29,;6.12,.2,;5.03,1.29,;3.55,.89,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1cc(nc2ccccc12)N1CCNCC1)N1CCOCC1 |(-3.27,-7.52,;-2.18,-6.43,;-.72,-6.91,;.18,-5.66,;-.72,-4.41,;-2.18,-4.89,;-.32,-2.93,;1.18,-2.61,;1.66,-1.14,;.63,0,;-.88,-.32,;-2.12,.59,;-3.37,-.32,;-4.86,.08,;-2.89,-1.78,;-1.35,-1.78,;-2.12,2.13,;-.79,2.9,;-.79,4.44,;-2.12,5.21,;-3.46,4.44,;-4.79,5.21,;-6.12,4.44,;-6.12,2.9,;-4.79,2.13,;-3.46,2.9,;.55,5.21,;1.88,4.44,;3.21,5.21,;3.21,6.75,;1.88,7.52,;.55,6.75,;3.15,-.74,;4.24,-1.83,;5.72,-1.43,;6.12,.05,;5.03,1.14,;3.55,.74,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)c(F)ccc12)N1CCOCC1 |(-2.61,-7.13,;-1.52,-6.04,;-.05,-6.52,;.85,-5.27,;-.05,-4.03,;-1.52,-4.5,;.35,-2.54,;1.85,-2.22,;2.33,-.76,;1.3,.39,;-.21,.07,;-1.46,.97,;-2.7,.07,;-4.19,.47,;-2.23,-1.4,;-.69,-1.4,;-1.46,2.51,;-.12,3.28,;-.12,4.82,;-1.46,5.59,;-2.79,4.82,;-4.12,5.59,;-4.12,7.13,;-5.46,4.82,;-6.79,5.59,;-5.46,3.28,;-4.12,2.51,;-2.79,3.28,;3.81,-.36,;4.9,-1.45,;6.39,-1.05,;6.79,.44,;5.7,1.53,;4.21,1.13,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cc(F)cc12)N1CCOCC1 |(-2.61,-7.13,;-1.52,-6.04,;-.05,-6.52,;.85,-5.27,;-.05,-4.03,;-1.52,-4.5,;.35,-2.54,;1.85,-2.22,;2.33,-.76,;1.3,.39,;-.21,.07,;-1.46,.97,;-2.7,.07,;-4.19,.47,;-2.23,-1.4,;-.69,-1.4,;-1.46,2.51,;-.12,3.28,;-.12,4.82,;-1.46,5.59,;-2.79,4.82,;-4.12,5.59,;-4.12,7.13,;-5.46,4.82,;-5.46,3.28,;-6.79,2.51,;-4.12,2.51,;-2.79,3.28,;3.81,-.36,;4.9,-1.45,;6.39,-1.05,;6.79,.44,;5.7,1.53,;4.21,1.13,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)ccc(Cl)c12)N1CCOCC1 |(-3.52,-6.99,;-2.18,-6.22,;-.72,-6.7,;.18,-5.45,;-.72,-4.21,;-2.18,-4.68,;-.32,-2.72,;1.18,-2.4,;1.66,-.93,;.63,.21,;-.88,-.11,;-2.12,.8,;-3.37,-.11,;-4.86,.29,;-2.89,-1.57,;-1.35,-1.57,;-2.12,2.37,;-.79,3.14,;-.79,4.68,;-2.12,5.45,;-3.46,4.68,;-4.79,5.45,;-4.79,6.99,;-6.12,4.68,;-6.12,3.14,;-4.79,2.37,;-4.79,.83,;-3.46,3.14,;3.15,-.53,;4.24,-1.62,;5.72,-1.23,;6.12,.26,;5.03,1.35,;3.55,.95,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(N)c1 |(-3.86,-6.97,;-2.53,-6.2,;-1.07,-6.68,;-.16,-5.43,;-1.07,-4.19,;-2.53,-4.66,;-.67,-2.7,;.84,-2.38,;1.32,-.92,;.28,.23,;-1.22,-.09,;-2.47,.81,;-3.71,-.09,;-5.2,.31,;-3.24,-1.56,;-1.7,-1.56,;-2.47,2.35,;-1.13,3.12,;-1.13,4.66,;-2.47,5.43,;-3.8,4.66,;-5.13,5.43,;-5.13,6.97,;-6.47,4.66,;-6.47,3.12,;-5.13,2.35,;-5.13,.99,;-3.8,3.12,;2.8,-.52,;3.2,.97,;4.69,1.37,;5.78,.28,;5.38,-1.21,;6.47,-2.3,;3.89,-1.61,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(N)c1F |(-3.86,-6.97,;-2.53,-6.2,;-1.07,-6.68,;-.16,-5.43,;-1.07,-4.19,;-2.53,-4.66,;-.67,-2.7,;.84,-2.38,;1.32,-.92,;.28,.23,;-1.22,-.09,;-2.47,.81,;-3.71,-.09,;-5.25,-.09,;-3.24,-1.56,;-1.7,-1.56,;-2.47,2.35,;-1.13,3.12,;-1.13,4.66,;-2.47,5.43,;-3.8,4.66,;-5.13,5.43,;-5.13,6.97,;-6.47,4.66,;-6.47,3.12,;-5.13,2.35,;-5.13,.81,;-3.8,3.12,;2.8,-.52,;3.2,.97,;4.69,1.37,;5.78,.28,;5.38,-1.21,;6.47,-2.3,;3.89,-1.61,;3.49,-3.09,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(c1)C#N |(-4.41,-6.97,;-3.07,-6.2,;-1.61,-6.68,;-.7,-5.43,;-1.61,-4.19,;-3.07,-4.66,;-1.21,-2.7,;.3,-2.38,;.77,-.92,;-.26,.23,;-1.77,-.09,;-3.01,.81,;-4.26,-.09,;-5.8,-.09,;-3.78,-1.56,;-2.24,-1.56,;-3.01,2.35,;-1.68,3.12,;-1.68,4.66,;-3.01,5.43,;-4.35,4.66,;-5.68,5.43,;-5.68,6.97,;-7.01,4.66,;-7.01,3.12,;-5.68,2.35,;-5.68,.81,;-4.35,3.12,;2.26,-.52,;2.66,.97,;4.14,1.37,;5.23,.28,;4.83,-1.21,;3.35,-1.61,;5.92,-2.3,;7.01,-3.39,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)ccc(F)c12)N1CCOCC1 |(-3.27,-7.13,;-2.18,-6.04,;-.72,-6.52,;.18,-5.27,;-.72,-4.03,;-2.18,-4.5,;-.32,-2.54,;1.18,-2.22,;1.66,-.76,;.63,.39,;-.88,.07,;-2.12,.97,;-3.37,.07,;-4.91,.07,;-2.89,-1.4,;-1.35,-1.4,;-2.12,2.51,;-.79,3.28,;-.79,4.82,;-2.12,5.59,;-3.46,4.82,;-4.79,5.59,;-4.79,7.13,;-6.12,4.82,;-6.12,3.28,;-4.79,2.51,;-4.79,.97,;-3.46,3.28,;3.15,-.36,;4.24,-1.45,;5.72,-1.05,;6.12,.44,;5.03,1.53,;3.55,1.13,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)-c1ccnc(N)c1 |(-3.86,-6.97,;-2.53,-6.2,;-1.07,-6.68,;-.16,-5.43,;-1.07,-4.19,;-2.53,-4.66,;-.67,-2.7,;.84,-2.38,;1.32,-.92,;.28,.23,;-1.22,-.09,;-2.47,.81,;-3.71,-.09,;-5.2,.31,;-3.24,-1.56,;-1.7,-1.56,;-2.47,2.35,;-1.13,3.12,;-1.13,4.66,;-2.47,5.43,;-3.8,4.66,;-5.13,5.43,;-5.13,6.97,;-6.47,4.66,;-6.47,3.12,;-5.13,2.35,;-3.8,3.12,;2.8,-.52,;3.2,.97,;4.69,1.37,;5.78,.28,;5.38,-1.21,;6.47,-2.3,;3.89,-1.61,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)-c1ccncc1 |(-3.52,-6.97,;-2.18,-6.2,;-.72,-6.68,;.18,-5.43,;-.72,-4.19,;-2.18,-4.66,;-.32,-2.7,;1.18,-2.38,;1.66,-.92,;.63,.23,;-.88,-.09,;-2.12,.81,;-3.37,-.09,;-4.86,.31,;-2.89,-1.56,;-1.35,-1.56,;-2.12,2.35,;-.79,3.12,;-.79,4.66,;-2.12,5.43,;-3.46,4.66,;-4.79,5.43,;-4.79,6.97,;-6.12,4.66,;-6.12,3.12,;-4.79,2.35,;-3.46,3.12,;3.15,-.52,;4.24,-1.61,;5.72,-1.21,;6.12,.28,;5.03,1.37,;3.55,.97,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-3.27,-7.13,;-2.18,-6.04,;-.72,-6.52,;.18,-5.27,;-.72,-4.03,;-2.18,-4.5,;-.32,-2.54,;1.18,-2.22,;1.66,-.76,;.63,.39,;-.88,.07,;-2.12,.97,;-3.37,.07,;-4.86,.47,;-2.89,-1.4,;-1.35,-1.4,;-2.12,2.51,;-.79,3.28,;-.79,4.82,;-2.12,5.59,;-3.46,4.82,;-4.79,5.59,;-4.79,7.13,;-6.12,4.82,;-6.12,3.28,;-4.79,2.51,;-3.46,3.28,;3.15,-.36,;4.24,-1.45,;5.72,-1.05,;6.12,.44,;5.03,1.53,;3.55,1.13,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F |(-3.86,-6.97,;-2.53,-6.2,;-1.07,-6.68,;-.16,-5.43,;-1.07,-4.19,;-2.53,-4.66,;-.67,-2.7,;.84,-2.38,;1.32,-.92,;.28,.23,;-1.22,-.09,;-2.47,.81,;-3.71,-.09,;-5.25,-.09,;-3.24,-1.56,;-1.7,-1.56,;-2.47,2.35,;-1.13,3.12,;-1.13,4.66,;-2.47,5.43,;-3.8,4.66,;-5.13,5.43,;-5.13,6.97,;-6.47,4.66,;-6.47,3.12,;-5.13,2.35,;-5.13,.81,;-3.8,3.12,;2.8,-.52,;3.2,.97,;4.69,1.37,;5.78,.28,;5.38,-1.21,;6.47,-2.3,;3.89,-1.61,;3.49,-3.09,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N |(-4.41,-6.97,;-3.07,-6.2,;-1.61,-6.68,;-.7,-5.43,;-1.61,-4.19,;-3.07,-4.66,;-1.21,-2.7,;.3,-2.38,;.77,-.92,;-.26,.23,;-1.77,-.09,;-3.01,.81,;-4.26,-.09,;-5.8,-.09,;-3.78,-1.56,;-2.24,-1.56,;-3.01,2.35,;-1.68,3.12,;-1.68,4.66,;-3.01,5.43,;-4.35,4.66,;-5.68,5.43,;-5.68,6.97,;-7.01,4.66,;-7.01,3.12,;-5.68,2.35,;-5.68,.81,;-4.35,3.12,;2.26,-.52,;2.66,.97,;4.14,1.37,;5.23,.28,;4.83,-1.21,;3.35,-1.61,;5.92,-2.3,;7.01,-3.39,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(F)ccc(F)c12)-c1ccncc1 |(-3.52,-6.97,;-2.18,-6.2,;-.72,-6.68,;.18,-5.43,;-.72,-4.19,;-2.18,-4.66,;-.32,-2.7,;1.18,-2.38,;1.66,-.92,;.63,.23,;-.88,-.09,;-2.12,.81,;-3.37,-.09,;-4.86,.31,;-2.89,-1.56,;-1.35,-1.56,;-2.12,2.35,;-.79,3.12,;-.79,4.66,;-2.12,5.43,;-3.46,4.66,;-4.79,5.43,;-4.79,6.97,;-6.12,4.66,;-6.12,3.12,;-4.79,2.35,;-4.79,.99,;-3.46,3.12,;3.15,-.52,;4.24,-1.61,;5.72,-1.21,;6.12,.28,;5.03,1.37,;3.55,.97,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(F)ccc(F)c12)N1CCOCC1 |(-3.27,-7.13,;-2.18,-6.04,;-.72,-6.52,;.18,-5.27,;-.72,-4.03,;-2.18,-4.5,;-.32,-2.54,;1.18,-2.22,;1.66,-.76,;.63,.39,;-.88,.07,;-2.12,.97,;-3.37,.07,;-4.86,.47,;-2.89,-1.4,;-1.35,-1.4,;-2.12,2.51,;-.79,3.28,;-.79,4.82,;-2.12,5.59,;-3.46,4.82,;-4.79,5.59,;-4.79,7.13,;-6.12,4.82,;-6.12,3.28,;-4.79,2.51,;-4.79,.97,;-3.46,3.28,;3.15,-.36,;4.24,-1.45,;5.72,-1.05,;6.12,.44,;5.03,1.53,;3.55,1.13,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(F)ccc(F)c12)N1CCOCC1 |(3.91,-7.13,;2.82,-6.04,;1.35,-6.52,;.45,-5.27,;1.35,-4.03,;2.82,-4.5,;.96,-2.54,;-.55,-2.22,;-1.03,-.76,;0,.39,;1.51,.07,;2.76,.97,;4,.07,;5.49,.47,;3.53,-1.4,;1.99,-1.4,;2.76,2.51,;4.09,3.28,;4.09,4.82,;2.76,5.59,;1.42,4.82,;.09,5.59,;.09,7.13,;-1.25,4.82,;-1.25,3.28,;.09,2.51,;.09,.97,;1.42,3.28,;-2.51,-.36,;-2.91,1.13,;-4.4,1.53,;-5.49,.44,;-5.09,-1.05,;-3.6,-1.45,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(F)cccc12)N1CCOCC1 |(-3.27,-7.13,;-2.18,-6.04,;-.72,-6.52,;.18,-5.27,;-.72,-4.03,;-2.18,-4.5,;-.32,-2.54,;1.18,-2.22,;1.66,-.76,;.63,.39,;-.88,.07,;-2.12,.97,;-3.37,.07,;-4.86,.47,;-2.89,-1.4,;-1.35,-1.4,;-2.12,2.51,;-.79,3.28,;-.79,4.82,;-2.12,5.59,;-3.46,4.82,;-4.79,5.59,;-4.79,7.13,;-6.12,4.82,;-6.12,3.28,;-4.79,2.51,;-3.46,3.28,;3.15,-.36,;4.24,-1.45,;5.72,-1.05,;6.12,.44,;5.03,1.53,;3.55,1.13,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2c(cccc12)C(F)F)N1CCOCC1 |(-3.27,-7.52,;-2.18,-6.43,;-.72,-6.91,;.18,-5.66,;-.72,-4.41,;-2.18,-4.89,;-.32,-2.93,;1.18,-2.61,;1.66,-1.14,;.63,0,;-.88,-.32,;-2.12,.59,;-3.37,-.32,;-4.86,.08,;-2.89,-1.78,;-1.35,-1.78,;-2.12,2.13,;-.79,2.9,;-.79,4.44,;-2.12,5.21,;-3.46,4.44,;-4.79,5.21,;-6.12,4.44,;-6.12,2.9,;-4.79,2.13,;-3.46,2.9,;-4.79,6.75,;-6.12,7.52,;-3.46,7.52,;3.15,-.74,;4.24,-1.83,;5.72,-1.43,;6.12,.05,;5.03,1.14,;3.55,.74,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2cccc(C)c12)N1CCOCC1 |(-3.27,-6.36,;-2.18,-5.27,;-.72,-5.75,;.18,-4.5,;-.72,-3.26,;-2.18,-3.73,;-.32,-1.77,;1.18,-1.45,;1.66,.01,;.63,1.16,;-.88,.84,;-2.12,1.74,;-3.37,.84,;-4.86,1.24,;-2.89,-.63,;-1.35,-.63,;-2.12,3.28,;-.79,4.05,;-.79,5.59,;-2.12,6.36,;-3.46,5.59,;-4.79,6.36,;-6.12,5.59,;-6.12,4.05,;-4.79,3.28,;-4.79,1.74,;-3.46,4.05,;3.15,.41,;4.24,-.68,;5.72,-.28,;6.12,1.21,;5.03,2.3,;3.55,1.9,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(C)nc12)-c1ccnc2ccccc12)N1CCOCC1 |(3.88,-6.4,;2.79,-5.31,;1.3,-5.71,;.46,-4.42,;1.43,-3.22,;2.87,-3.77,;1.03,-1.73,;-.47,-1.41,;-.95,.05,;.08,1.2,;1.59,.88,;2.83,1.78,;4.08,.88,;5.41,1.65,;3.6,-.59,;2.06,-.59,;2.83,3.32,;4.17,4.09,;4.17,5.63,;2.83,6.4,;1.5,5.63,;.17,6.4,;-1.17,5.63,;-1.17,4.09,;.17,3.32,;1.5,4.09,;-2.44,.45,;-2.84,1.94,;-4.32,2.34,;-5.41,1.25,;-5.01,-.24,;-3.53,-.64,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(CC3CC3)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-2.62,-7.13,;-1.53,-6.04,;-.07,-6.52,;.84,-5.27,;-.07,-4.03,;-1.53,-4.5,;.33,-2.54,;1.84,-2.22,;2.32,-.76,;1.28,.39,;-.22,.07,;-1.47,.97,;-2.71,.07,;-4.2,.47,;-5.29,-.62,;-6.78,-1.02,;-5.69,-2.11,;-2.24,-1.4,;-.7,-1.4,;-1.47,2.51,;-.13,3.28,;-.13,4.82,;-1.47,5.59,;-2.8,4.82,;-4.14,5.59,;-4.14,7.13,;-5.47,4.82,;-5.47,3.28,;-4.14,2.51,;-2.8,3.28,;3.8,-.36,;4.89,-1.45,;6.38,-1.05,;6.78,.44,;5.69,1.53,;4.2,1.13,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(nc12)-c1cccnc1)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-2.42,-7.13,;-1.33,-6.04,;.13,-6.52,;1.04,-5.27,;.13,-4.03,;-1.33,-4.5,;.53,-2.54,;2.04,-2.22,;2.51,-.76,;1.48,.39,;-.02,.07,;-1.27,.97,;-2.51,.07,;-2.04,-1.4,;-.5,-1.4,;-4,.47,;-4.4,1.95,;-5.89,2.35,;-6.98,1.26,;-6.58,-.22,;-5.09,-.62,;-1.27,2.51,;.07,3.28,;.07,4.82,;-1.27,5.59,;-2.6,4.82,;-3.94,5.59,;-3.94,7.13,;-5.27,4.82,;-5.27,3.28,;-3.94,2.51,;-2.6,3.28,;4,-.36,;5.09,-1.45,;6.58,-1.05,;6.98,.44,;5.89,1.53,;4.4,1.13,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(nc12)-c1ccncc1)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-2.42,-7.13,;-1.33,-6.04,;.13,-6.52,;1.04,-5.27,;.13,-4.03,;-1.33,-4.5,;.53,-2.54,;2.04,-2.22,;2.51,-.76,;1.48,.39,;-.02,.07,;-1.27,.97,;-2.51,.07,;-2.04,-1.4,;-.5,-1.4,;-4,.47,;-4.4,1.95,;-5.89,2.35,;-6.98,1.26,;-6.58,-.22,;-5.09,-.62,;-1.27,2.51,;.07,3.28,;.07,4.82,;-1.27,5.59,;-2.6,4.82,;-3.94,5.59,;-3.94,7.13,;-5.27,4.82,;-5.27,3.28,;-3.94,2.51,;-2.6,3.28,;4,-.36,;5.09,-1.45,;6.58,-1.05,;6.98,.44,;5.89,1.53,;4.4,1.13,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(nc12)C1CC1)-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(N)c1 |(-3.75,-6.97,;-2.42,-6.2,;-.96,-6.68,;-.05,-5.43,;-.96,-4.19,;-2.42,-4.66,;-.56,-2.7,;.95,-2.38,;1.43,-.92,;.39,.23,;-1.11,-.09,;-2.36,.81,;-3.6,-.09,;-3.13,-1.56,;-1.59,-1.56,;-5.09,.31,;-6.18,1.4,;-6.58,-.09,;-2.36,2.35,;-1.02,3.12,;-1.02,4.66,;-2.36,5.43,;-3.69,4.66,;-5.02,5.43,;-5.02,6.97,;-6.36,4.66,;-6.36,3.12,;-5.02,2.35,;-4.25,1.02,;-3.69,3.12,;2.91,-.52,;3.31,.97,;4.8,1.37,;5.89,.28,;5.49,-1.21,;6.58,-2.3,;4,-1.61,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(nc12)C1CC1)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-3.41,-6.97,;-2.07,-6.2,;-.61,-6.68,;.29,-5.43,;-.61,-4.19,;-2.07,-4.66,;-.21,-2.7,;1.29,-2.38,;1.77,-.92,;.74,.23,;-.77,-.09,;-2.01,.81,;-3.26,-.09,;-2.78,-1.56,;-1.24,-1.56,;-4.75,.31,;-5.83,1.4,;-6.23,-.09,;-2.01,2.35,;-.68,3.12,;-.68,4.66,;-2.01,5.43,;-3.35,4.66,;-4.68,5.43,;-4.68,6.97,;-6.01,4.66,;-6.01,3.12,;-4.68,2.35,;-3.35,3.12,;3.26,-.52,;4.35,-1.61,;5.83,-1.21,;6.23,.28,;5.14,1.37,;3.66,.97,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(nc12)C1CCC1)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-2.86,-7.13,;-1.77,-6.04,;-.3,-6.52,;.6,-5.27,;-.3,-4.03,;-1.77,-4.5,;.1,-2.54,;1.6,-2.22,;2.08,-.76,;1.05,.39,;-.46,.07,;-1.7,.97,;-2.95,.07,;-2.47,-1.4,;-.93,-1.4,;-4.44,.47,;-5.21,1.8,;-6.54,1.03,;-5.77,-.3,;-1.7,2.51,;-.37,3.28,;-.37,4.82,;-1.7,5.59,;-3.04,4.82,;-4.37,5.59,;-4.37,7.13,;-5.71,4.82,;-5.71,3.28,;-4.37,2.51,;-3.04,3.28,;3.57,-.36,;4.66,-1.45,;6.14,-1.05,;6.54,.44,;5.45,1.53,;3.96,1.13,)|
Cc1nnc([nH]1)-c1cc(cc2n(c(nc12)C1CCCO1)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-2.74,-7.13,;-1.65,-6.04,;-.19,-6.52,;.72,-5.27,;-.19,-4.03,;-1.65,-4.5,;.21,-2.54,;1.72,-2.22,;2.2,-.76,;1.17,.39,;-.34,.07,;-1.59,.97,;-2.83,.07,;-2.36,-1.4,;-.82,-1.4,;-4.17,.84,;-4.64,2.3,;-6.18,2.3,;-6.66,.84,;-5.41,-.07,;-1.59,2.51,;-.25,3.28,;-.25,4.82,;-1.59,5.59,;-2.92,4.82,;-4.25,5.59,;-4.25,7.13,;-5.59,4.82,;-5.59,3.28,;-4.25,2.51,;-2.92,3.28,;3.68,-.36,;4.77,-1.45,;6.26,-1.05,;6.66,.44,;5.57,1.53,;4.08,1.13,)|
Cc1nnc([nH]1)-c1cc(cc2n(cnc12)-c1cc(nc2ccccc12)-c1cc[nH]n1)N1CCOCC1
Cc1nnc([nH]1)-c1cc(cc2n(cnc12)-c1cc(nc2ccccc12)-c1cn[nH]c1)N1CCOCC1
Cc1nnc([nH]1)-c1cc(cc2n(cnc12)-c1ccnc2c(Cl)c(F)ccc12)N1CCOCC1
Cc1nnc([nH]1)-c1cc(cc2n(cnc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1
Cc1nnc([nH]1)-c1cc(cc2n(cnc12)-c1ccnc2c(F)ccc(F)c12)N1CCOCC1
Cc1nnc([nH]1)-c1cc(cc2n(cnc12)-c1ccnc2cc(F)ccc12)N1CCOCC1
Clc1ccc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Clc1cccc2c(ccnc12)-n1c(CC2CC2)nc2c(cc(cc12)N1CCOCC1)-c1ncco1 |(-4.2,6.78,;-4.2,5.24,;-5.54,4.47,;-5.54,2.93,;-4.2,2.16,;-2.87,2.93,;-1.53,2.16,;-.2,2.93,;-.2,4.47,;-1.53,5.24,;-2.87,4.47,;-1.53,.62,;-2.73,-.35,;-4.22,.04,;-5.31,-1.04,;-6.8,-1.44,;-5.71,-2.53,;-2.18,-1.79,;-.64,-1.71,;.45,-2.8,;1.93,-2.4,;2.33,-.91,;1.24,.18,;-.24,-.22,;3.82,-.52,;4.91,-1.6,;6.4,-1.21,;6.8,.28,;5.71,1.37,;4.22,.97,;.05,-4.29,;1.02,-5.48,;.18,-6.78,;-1.31,-6.38,;-1.39,-4.84,)|
Clc1cccc2c(ccnc12)-n1c(CC2CC2)nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1 |(-4.14,6.83,;-4.14,5.29,;-5.47,4.52,;-5.47,2.98,;-4.14,2.21,;-2.8,2.98,;-1.47,2.21,;-.13,2.98,;-.13,4.52,;-1.47,5.29,;-2.8,4.52,;-1.47,.67,;-2.71,-.24,;-4.2,.16,;-5.29,-.93,;-6.78,-1.33,;-5.69,-2.42,;-2.24,-1.7,;-.7,-1.7,;.33,-2.85,;1.84,-2.53,;2.32,-1.06,;1.28,.08,;-.22,-.24,;3.8,-.67,;4.89,-1.75,;6.38,-1.36,;6.78,.13,;5.69,1.22,;4.2,.82,;-.07,-4.34,;.77,-5.63,;-.2,-6.83,;-1.63,-6.27,;-1.55,-4.74,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)-c1ccncc1)-c1nnc[nH]1)C1COC1 |(-4.37,6.83,;-4.37,5.29,;-5.71,4.52,;-5.71,2.98,;-4.37,2.21,;-3.04,2.98,;-1.7,2.21,;-.37,2.98,;-.37,4.52,;-1.7,5.29,;-3.04,4.52,;-1.7,.67,;-2.95,-.24,;-2.47,-1.7,;-.93,-1.7,;.1,-2.85,;1.6,-2.53,;2.08,-1.06,;1.05,.08,;-.46,-.24,;3.57,-.66,;4.66,-1.75,;6.14,-1.35,;6.54,.13,;5.45,1.22,;3.96,.82,;-.3,-4.33,;.6,-5.58,;-.3,-6.83,;-1.77,-6.35,;-1.77,-4.81,;-4.44,.16,;-5.21,1.49,;-6.54,.72,;-5.77,-.61,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1ccccc1)C1CCCO1 |(5.81,-6.33,;5.41,-4.85,;6.5,-3.76,;6.1,-2.27,;4.61,-1.87,;3.52,-2.96,;2.03,-2.56,;.95,-3.65,;1.34,-5.14,;2.83,-5.54,;3.92,-4.45,;1.64,-1.07,;2.54,.17,;1.64,1.42,;.17,.94,;-1.16,1.71,;-2.5,.94,;-2.5,-.6,;-1.16,-1.37,;.17,-.6,;-3.83,-1.37,;-5.16,-.6,;-6.5,-1.37,;-6.5,-2.91,;-5.16,-3.68,;-3.83,-2.91,;-1.16,3.25,;-2.5,4.02,;-2.5,5.56,;-1.16,6.33,;.17,5.56,;.17,4.02,;4.08,.17,;4.99,-1.07,;6.45,-.6,;6.45,.94,;4.99,1.42,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1cccnc1)C1CCCO1 |(5.81,-6.33,;5.41,-4.85,;6.5,-3.76,;6.1,-2.27,;4.61,-1.87,;3.52,-2.96,;2.03,-2.56,;.95,-3.65,;1.34,-5.14,;2.83,-5.54,;3.92,-4.45,;1.64,-1.07,;2.54,.17,;1.64,1.42,;.17,.94,;-1.16,1.71,;-2.5,.94,;-2.5,-.6,;-1.16,-1.37,;.17,-.6,;-3.83,-1.37,;-5.16,-.6,;-6.5,-1.37,;-6.5,-2.91,;-5.16,-3.68,;-3.83,-2.91,;-1.16,3.25,;.17,4.02,;.17,5.56,;-1.16,6.33,;-2.5,5.56,;-2.5,4.02,;4.08,.17,;4.99,-1.07,;6.45,-.6,;6.45,.94,;4.99,1.42,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1cnn[nH]1)C1CC1 |(-4.68,6.84,;-4.68,5.3,;-6.01,4.53,;-6.01,2.99,;-4.68,2.22,;-3.35,2.99,;-2.01,2.22,;-.68,2.99,;-.68,4.53,;-2.01,5.3,;-3.35,4.53,;-2.01,.65,;-3.26,-.26,;-2.78,-1.72,;-1.24,-1.72,;-.21,-2.87,;1.29,-2.55,;1.77,-1.08,;.74,.06,;-.77,-.26,;3.26,-.68,;4.35,-1.77,;5.83,-1.37,;6.23,.11,;5.14,1.2,;3.66,.81,;-.61,-4.35,;.29,-5.6,;-.61,-6.84,;-2.07,-6.37,;-2.07,-4.83,;-4.75,.14,;-5.83,1.23,;-6.23,-.26,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1ncco1)C1CC1 |(-4.75,6.78,;-4.75,5.24,;-6.08,4.47,;-6.08,2.93,;-4.75,2.16,;-3.41,2.93,;-2.08,2.16,;-.75,2.93,;-.75,4.47,;-2.08,5.24,;-3.41,4.47,;-2.08,.62,;-3.28,-.35,;-2.72,-1.79,;-1.19,-1.71,;-.1,-2.8,;1.39,-2.4,;1.79,-.91,;.7,.18,;-.79,-.22,;3.28,-.52,;4.37,-1.6,;5.85,-1.21,;6.25,.28,;5.16,1.37,;3.67,.97,;-.5,-4.29,;.47,-5.48,;-.37,-6.78,;-1.85,-6.38,;-1.93,-4.84,;-4.76,.04,;-5.85,1.13,;-6.25,-.35,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)-c1ccccn1 |(-3.94,6.83,;-3.94,5.29,;-5.27,4.52,;-5.27,2.98,;-3.94,2.21,;-2.6,2.98,;-1.27,2.21,;.07,2.98,;.07,4.52,;-1.27,5.29,;-2.6,4.52,;-1.27,.67,;-2.51,-.24,;-2.04,-1.7,;-.5,-1.7,;.53,-2.85,;2.04,-2.53,;2.51,-1.06,;1.48,.08,;-.02,-.24,;4,-.66,;5.09,-1.75,;6.58,-1.35,;6.98,.13,;5.89,1.22,;4.4,.82,;.13,-4.33,;1.04,-5.58,;.13,-6.83,;-1.33,-6.35,;-1.33,-4.81,;-4,.16,;-4.4,1.65,;-5.89,2.05,;-6.98,.96,;-6.58,-.53,;-5.09,-.93,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)-c1cccnc1 |(-3.94,6.83,;-3.94,5.29,;-5.27,4.52,;-5.27,2.98,;-3.94,2.21,;-2.6,2.98,;-1.27,2.21,;.07,2.98,;.07,4.52,;-1.27,5.29,;-2.6,4.52,;-1.27,.67,;-2.51,-.24,;-2.04,-1.7,;-.5,-1.7,;.53,-2.85,;2.04,-2.53,;2.51,-1.06,;1.48,.08,;-.02,-.24,;4,-.66,;5.09,-1.75,;6.58,-1.35,;6.98,.13,;5.89,1.22,;4.4,.82,;.13,-4.33,;1.04,-5.58,;.13,-6.83,;-1.33,-6.35,;-1.33,-4.81,;-4,.16,;-5.09,-.93,;-6.58,-.53,;-6.98,.96,;-5.89,2.05,;-4.4,1.65,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)-c1ccn[nH]1 |(-4.18,6.83,;-4.18,5.29,;-5.51,4.52,;-5.51,2.98,;-4.18,2.21,;-2.84,2.98,;-1.51,2.21,;-.18,2.98,;-.18,4.52,;-1.51,5.29,;-2.84,4.52,;-1.51,.67,;-2.76,-.24,;-2.28,-1.7,;-.74,-1.7,;.29,-2.85,;1.8,-2.53,;2.27,-1.06,;1.24,.08,;-.26,-.24,;3.76,-.66,;4.85,-1.75,;6.34,-1.35,;6.74,.13,;5.65,1.22,;4.16,.82,;-.11,-4.33,;.8,-5.58,;-.11,-6.83,;-1.57,-6.35,;-1.57,-4.81,;-4.24,.16,;-4.72,1.62,;-6.26,1.62,;-6.74,.16,;-5.49,-.74,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)-c1ccncc1 |(-3.94,6.83,;-3.94,5.29,;-5.27,4.52,;-5.27,2.98,;-3.94,2.21,;-2.6,2.98,;-1.27,2.21,;.07,2.98,;.07,4.52,;-1.27,5.29,;-2.6,4.52,;-1.27,.67,;-2.51,-.24,;-2.04,-1.7,;-.5,-1.7,;.53,-2.85,;2.04,-2.53,;2.51,-1.06,;1.48,.08,;-.02,-.24,;4,-.66,;5.09,-1.75,;6.58,-1.35,;6.98,.13,;5.89,1.22,;4.4,.82,;.13,-4.33,;1.04,-5.58,;.13,-6.83,;-1.33,-6.35,;-1.33,-4.81,;-4,.16,;-5.09,-.93,;-6.58,-.53,;-6.98,.96,;-5.89,2.05,;-4.4,1.65,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)-c1cn[nH]c1 |(-3.43,6.83,;-3.43,5.29,;-4.77,4.52,;-4.77,2.98,;-3.43,2.21,;-2.1,2.98,;-.77,2.21,;.57,2.98,;.57,4.52,;-.77,5.29,;-2.1,4.52,;-.77,.67,;-2.01,-.24,;-1.54,-1.7,;0,-1.7,;1.03,-2.85,;2.54,-2.53,;3.02,-1.06,;1.99,.08,;.48,-.24,;4.5,-.66,;5.59,-1.75,;7.08,-1.35,;7.48,.13,;6.39,1.22,;4.9,.82,;.64,-4.33,;1.54,-5.58,;.64,-6.83,;-.83,-6.35,;-.83,-4.81,;-3.5,.16,;-3.98,1.62,;-5.52,1.62,;-5.99,.16,;-4.75,-.74,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)-c1cnco1 |(-4.25,6.83,;-4.25,5.29,;-5.59,4.52,;-5.59,2.98,;-4.25,2.21,;-2.92,2.98,;-1.59,2.21,;-.25,2.98,;-.25,4.52,;-1.59,5.29,;-2.92,4.52,;-1.59,.67,;-2.83,-.24,;-2.36,-1.7,;-.82,-1.7,;.21,-2.85,;1.72,-2.53,;2.2,-1.06,;1.17,.08,;-.34,-.24,;3.68,-.66,;4.77,-1.75,;6.26,-1.35,;6.66,.13,;5.57,1.22,;4.08,.82,;-.19,-4.33,;.72,-5.58,;-.19,-6.83,;-1.65,-6.35,;-1.65,-4.81,;-4.17,.53,;-4.64,2,;-6.18,2,;-6.66,.53,;-5.41,-.37,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)-c1cncs1 |(-4.18,6.83,;-4.18,5.29,;-5.51,4.52,;-5.51,2.98,;-4.18,2.21,;-2.84,2.98,;-1.51,2.21,;-.18,2.98,;-.18,4.52,;-1.51,5.29,;-2.84,4.52,;-1.51,.67,;-2.76,-.24,;-2.28,-1.7,;-.74,-1.7,;.29,-2.85,;1.8,-2.53,;2.27,-1.06,;1.24,.08,;-.26,-.24,;3.76,-.66,;4.85,-1.75,;6.34,-1.35,;6.74,.13,;5.65,1.22,;4.16,.82,;-.11,-4.33,;.8,-5.58,;-.11,-6.83,;-1.57,-6.35,;-1.57,-4.81,;-4.24,.16,;-4.72,1.62,;-6.26,1.62,;-6.74,.16,;-5.49,-.74,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)-c1cnsc1 |(-4.18,6.83,;-4.18,5.29,;-5.51,4.52,;-5.51,2.98,;-4.18,2.21,;-2.84,2.98,;-1.51,2.21,;-.18,2.98,;-.18,4.52,;-1.51,5.29,;-2.84,4.52,;-1.51,.67,;-2.76,-.24,;-2.28,-1.7,;-.74,-1.7,;.29,-2.85,;1.8,-2.53,;2.27,-1.06,;1.24,.08,;-.26,-.24,;3.76,-.66,;4.85,-1.75,;6.34,-1.35,;6.74,.13,;5.65,1.22,;4.16,.82,;-.11,-4.33,;.8,-5.58,;-.11,-6.83,;-1.57,-6.35,;-1.57,-4.81,;-4.24,.16,;-4.72,1.62,;-6.26,1.62,;-6.74,.16,;-5.49,-.74,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)C1CC1 |(-4.68,6.83,;-4.68,5.29,;-6.01,4.52,;-6.01,2.98,;-4.68,2.21,;-3.35,2.98,;-2.01,2.21,;-.68,2.98,;-.68,4.52,;-2.01,5.29,;-3.35,4.52,;-2.01,.67,;-3.26,-.24,;-2.78,-1.7,;-1.24,-1.7,;-.21,-2.85,;1.29,-2.53,;1.77,-1.06,;.74,.08,;-.77,-.24,;3.26,-.66,;4.35,-1.75,;5.83,-1.35,;6.23,.13,;5.14,1.22,;3.66,.82,;-.61,-4.33,;.29,-5.58,;-.61,-6.83,;-2.07,-6.35,;-2.07,-4.81,;-4.75,.16,;-5.83,1.25,;-6.23,-.24,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)C1CCC1 |(-4.37,6.83,;-4.37,5.29,;-5.71,4.52,;-5.71,2.98,;-4.37,2.21,;-3.04,2.98,;-1.7,2.21,;-.37,2.98,;-.37,4.52,;-1.7,5.29,;-3.04,4.52,;-1.7,.67,;-2.95,-.24,;-2.47,-1.7,;-.93,-1.7,;.1,-2.85,;1.6,-2.53,;2.08,-1.06,;1.05,.08,;-.46,-.24,;3.57,-.66,;4.66,-1.75,;6.14,-1.35,;6.54,.13,;5.45,1.22,;3.96,.82,;-.3,-4.33,;.6,-5.58,;-.3,-6.83,;-1.77,-6.35,;-1.77,-4.81,;-4.44,.16,;-5.21,1.49,;-6.54,.72,;-5.77,-.61,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)C1CCCO1 |(.68,-6.67,;.28,-5.18,;-1.21,-4.78,;-1.61,-3.29,;-.52,-2.21,;.97,-2.6,;2.06,-1.52,;3.55,-1.91,;3.94,-3.4,;2.85,-4.49,;1.37,-4.09,;1.66,-.03,;2.56,1.22,;1.66,2.46,;.19,1.99,;-1.14,2.76,;-2.47,1.99,;-2.47,.45,;-1.14,-.32,;.19,.45,;-3.81,-.32,;-5.14,.45,;-6.47,-.32,;-6.47,-1.86,;-5.14,-2.63,;-3.81,-1.86,;-1.14,4.3,;-2.39,5.2,;-1.91,6.67,;-.37,6.67,;.11,5.2,;4.1,1.22,;5.01,-.03,;6.47,.45,;6.47,1.99,;5.01,2.46,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)C1CCOC1 |(-4.18,6.83,;-4.18,5.29,;-5.51,4.52,;-5.51,2.98,;-4.18,2.21,;-2.84,2.98,;-1.51,2.21,;-.18,2.98,;-.18,4.52,;-1.51,5.29,;-2.84,4.52,;-1.51,.67,;-2.76,-.24,;-2.28,-1.7,;-.74,-1.7,;.29,-2.85,;1.8,-2.53,;2.27,-1.06,;1.24,.08,;-.26,-.24,;3.76,-.66,;4.85,-1.75,;6.34,-1.35,;6.74,.13,;5.65,1.22,;4.16,.82,;-.11,-4.33,;.8,-5.58,;-.11,-6.83,;-1.57,-6.35,;-1.57,-4.81,;-4.24,.16,;-5.49,-.74,;-6.74,.16,;-6.26,1.62,;-4.72,1.62,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)C1CNC1 |(-3.63,6.83,;-3.63,5.29,;-4.96,4.52,;-4.96,2.98,;-3.63,2.21,;-2.29,2.98,;-.96,2.21,;.37,2.98,;.37,4.52,;-.96,5.29,;-2.29,4.52,;-.96,.67,;-2.21,-.24,;-1.73,-1.7,;-.19,-1.7,;.84,-2.85,;2.35,-2.53,;2.82,-1.06,;1.79,.08,;.29,-.24,;4.31,-.66,;5.4,-1.75,;6.89,-1.35,;7.28,.13,;6.2,1.22,;4.71,.82,;.44,-4.33,;1.35,-5.58,;.44,-6.83,;-1.02,-6.35,;-1.02,-4.81,;-3.69,.16,;-4.46,1.49,;-5.8,.72,;-5.03,-.61,)|
Clc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)C1COC1 |(-4.37,6.83,;-4.37,5.29,;-5.71,4.52,;-5.71,2.98,;-4.37,2.21,;-3.04,2.98,;-1.7,2.21,;-.37,2.98,;-.37,4.52,;-1.7,5.29,;-3.04,4.52,;-1.7,.67,;-2.95,-.24,;-2.47,-1.7,;-.93,-1.7,;.1,-2.85,;1.6,-2.53,;2.08,-1.06,;1.05,.08,;-.46,-.24,;3.57,-.66,;4.66,-1.75,;6.14,-1.35,;6.54,.13,;5.45,1.22,;3.96,.82,;-.3,-4.33,;.6,-5.58,;-.3,-6.83,;-1.77,-6.35,;-1.77,-4.81,;-4.44,.16,;-5.21,1.49,;-6.54,.72,;-5.77,-.61,)|
Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)-c1ccncc1)-c1ncn[nH]1
Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1c[nH]cn1
Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1ncco1
Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1
Clc1cccc2nc([C@@H](Nc3ncnc4scnc34)C3CC3)n(N3CCNCC3)c(=O)c12 |r|
Clc1cccc2nc([C@@H](Nc3ncnn4ccnc34)C3CC3)n(N3CCNCC3)c(=O)c12 |r|
Clc1cccc2nc([C@@H]3CCCN3c3ncnn4ccnc34)n(N3CCNCC3)c(=O)c12 |r|
Clc1ncc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)c2cn[nH]c12
Clc1ncc([nH]1)-c1cc(cc2n(c(CC3CC3)nc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-2.4,-7.12,;-1.31,-6.03,;.18,-6.43,;1.02,-5.14,;.05,-3.94,;-1.39,-4.49,;.45,-2.45,;1.93,-2.06,;2.33,-.57,;1.24,.52,;-.24,.12,;-1.53,.96,;-2.73,-.01,;-4.22,.39,;-5.31,-.7,;-6.8,-1.1,;-5.71,-2.19,;-2.18,-1.45,;-.64,-1.37,;-1.53,2.5,;-.2,3.27,;-.2,4.81,;-1.53,5.58,;-2.87,4.81,;-4.2,5.58,;-4.2,7.12,;-5.54,4.81,;-5.54,3.27,;-4.2,2.5,;-2.87,3.27,;3.82,-.17,;4.91,-1.26,;6.4,-.86,;6.8,.63,;5.71,1.72,;4.22,1.32,)|
Clc1ncc([nH]1)-c1cc(cc2n(c(nc12)C1CC1)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-2.94,-7.12,;-1.85,-6.03,;-.37,-6.43,;.47,-5.14,;-.5,-3.94,;-1.93,-4.49,;-.1,-2.45,;1.39,-2.06,;1.79,-.57,;.7,.52,;-.79,.12,;-2.08,.96,;-3.28,-.01,;-2.72,-1.45,;-1.19,-1.37,;-4.76,.39,;-5.85,1.48,;-6.25,-.01,;-2.08,2.5,;-.75,3.27,;-.75,4.81,;-2.08,5.58,;-3.41,4.81,;-4.75,5.58,;-4.75,7.12,;-6.08,4.81,;-6.08,3.27,;-4.75,2.5,;-3.41,3.27,;3.28,-.17,;4.37,-1.26,;5.85,-.86,;6.25,.63,;5.16,1.72,;3.67,1.32,)|
Clc1ncc([nH]1)-c1cc(cc2n(c(nc12)C1COC1)-c1ccnc2c(Cl)cccc12)N1CCOCC1 |(-2.63,-7.12,;-1.55,-6.03,;-.06,-6.43,;.78,-5.14,;-.19,-3.94,;-1.63,-4.49,;.21,-2.45,;1.7,-2.06,;2.1,-.57,;1.01,.52,;-.48,.12,;-1.77,.96,;-2.97,-.01,;-2.42,-1.45,;-.88,-1.37,;-4.46,.39,;-5.23,1.72,;-6.56,.95,;-5.79,-.38,;-1.77,2.5,;-.44,3.27,;-.44,4.81,;-1.77,5.58,;-3.11,4.81,;-4.44,5.58,;-4.44,7.12,;-5.77,4.81,;-5.77,3.27,;-4.44,2.5,;-3.11,3.27,;3.58,-.17,;4.67,-1.26,;6.16,-.86,;6.56,.63,;5.47,1.72,;3.98,1.32,)|
Clc1ncc([nH]1)-c1cc(cc2n(cnc12)-c1ccnc2c(Cl)cccc12)N1CCOCC1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Cn1c(nc2cc(ccc2c1=O)-c1ccc2oc(N)nc2c1)N1CCOCC1
Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1ccc2oc(N)nc2c1
Cn1cc(cn1)-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC2(COC2)CC1
Cn1cc(cn1)-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NCCCN1CCCC1=O
Cn1cc(cn1)-c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc(C(=O)NCCCN3CCOCC3)n(C)c2n1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)C(C)(C)O
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC2(COC2)CC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)C(C)(C)C(N)=O
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NCCCN1CCCC1=O
Cn1cc(cn1)-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(CC1)N1CCOCC1
Cn1cc(cn1)-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC2(COC2)CC1
Cn1cc(cn1)-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCN(CC1)C(C)(C)C(N)=O
Cn1cc(cn1)-c1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-7.48,-.24,;-5.99,.16,;-4.75,-.74,;-3.5,.16,;-3.98,1.62,;-5.52,1.62,;-2.01,-.24,;-1.54,-1.7,;0,-1.7,;1.03,-2.85,;2.54,-2.53,;3.02,-1.06,;1.99,.08,;.48,-.24,;-.77,.67,;-.77,2.21,;.57,2.98,;.57,4.52,;-.77,5.29,;-2.1,4.52,;-3.43,5.29,;-3.43,6.83,;-4.77,4.52,;-4.77,2.98,;-3.43,2.21,;-2.1,2.98,;4.5,-.66,;5.59,-1.75,;7.08,-1.35,;7.48,.13,;6.39,1.22,;4.9,.82,;.64,-4.33,;1.54,-5.58,;.64,-6.83,;-.83,-6.35,;-.83,-4.81,)|
FC(F)(F)c1n[nH]cc1-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
FC(F)c1cc(-n2cnc3c(cc(cc23)N2CCOCC2)-c2nnc[nH]2)c2cccc(Cl)c2n1
FC1(CC1)c1nc2c(cc(cc2n1-c1ccnc2c(Cl)cccc12)N1CCOCC1)-c1nnc[nH]1 |(-5.94,-.93,;-4.86,.16,;-4.46,1.65,;-5.94,1.25,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-3.46,2.98,;3.15,-.67,;4.24,-1.75,;5.72,-1.36,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.34,;.12,-5.63,;-.85,-6.83,;-2.29,-6.27,;-2.21,-4.74,)|
Fc1c(cc(-c2nnc[nH]2)c2ncn(-c3ccnc4c(Cl)cccc34)c12)N1CCOCC1
Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1 |r|
Fc1ccc(Cl)c2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1
Fc1ccc(Cl)c2c1nc([C@@H](Nc1ncnn3ccnc13)C1CC1)n(N1CCNCC1)c2=O |r|
Fc1ccc(Cl)c2nccc(-n3c(nc4c(cc(cc34)N3CCOCC3)-c3cnc(Cl)[nH]3)C3CC3)c12 |(-4.75,.96,;-4.75,2.5,;-6.08,3.27,;-6.08,4.81,;-4.75,5.58,;-4.75,7.12,;-3.41,4.81,;-2.08,5.58,;-.75,4.81,;-.75,3.27,;-2.08,2.5,;-2.08,.96,;-3.28,-.01,;-2.72,-1.45,;-1.19,-1.37,;-.1,-2.45,;1.39,-2.06,;1.79,-.57,;.7,.52,;-.79,.12,;3.28,-.17,;4.37,-1.26,;5.85,-.86,;6.25,.63,;5.16,1.72,;3.67,1.32,;-.5,-3.94,;.47,-5.14,;-.37,-6.43,;-1.85,-6.03,;-2.94,-7.12,;-1.93,-4.49,;-4.76,-.41,;-6.25,-.01,;-5.85,-1.5,;-3.41,3.27,)|
Fc1ccc(Cl)c2nccc(-n3c(nc4c(cc(cc34)N3CCOCC3)-c3ncco3)C3CC3)c12 |(-4.75,.62,;-4.75,2.16,;-6.08,2.93,;-6.08,4.47,;-4.75,5.24,;-4.75,6.78,;-3.41,4.47,;-2.08,5.24,;-.75,4.47,;-.75,2.93,;-2.08,2.16,;-2.08,.62,;-3.28,-.35,;-2.72,-1.79,;-1.19,-1.71,;-.1,-2.8,;1.39,-2.4,;1.79,-.91,;.7,.18,;-.79,-.22,;3.28,-.52,;4.37,-1.6,;5.85,-1.21,;6.25,.28,;5.16,1.37,;3.67,.97,;-.5,-4.29,;.47,-5.48,;-.37,-6.78,;-1.85,-6.38,;-1.93,-4.84,;-4.76,-.75,;-6.25,-.35,;-5.85,-1.84,;-3.41,2.93,)|
Fc1ccc(Cl)c2nccc(-n3c(nc4c(cc(cc34)N3CCOCC3)-c3nccs3)C3CC3)c12 |(-4.68,.68,;-4.68,2.22,;-6.01,2.99,;-6.01,4.53,;-4.68,5.3,;-4.68,6.84,;-3.35,4.53,;-2.01,5.3,;-.68,4.53,;-.68,2.99,;-2.01,2.22,;-2.01,.65,;-3.26,-.26,;-2.78,-1.72,;-1.24,-1.72,;-.21,-2.87,;1.29,-2.55,;1.77,-1.08,;.74,.06,;-.77,-.26,;3.26,-.68,;4.35,-1.77,;5.83,-1.37,;6.23,.11,;5.14,1.2,;3.66,.81,;-.61,-4.35,;-2.07,-4.83,;-2.07,-6.37,;-.61,-6.84,;.29,-5.6,;-4.75,-.66,;-6.23,-.26,;-5.83,-1.74,;-3.35,2.99,)|
Fc1ccc(Cl)c2nccc(-n3c(nc4c(cc(cc34)N3CCOCC3)-c3nnc(Cl)[nH]3)C3CC3)c12 |(-4.75,1.08,;-4.75,2.62,;-6.08,3.39,;-6.08,4.93,;-4.75,5.7,;-4.75,7.24,;-3.41,4.93,;-2.08,5.7,;-.75,4.93,;-.75,3.39,;-2.08,2.62,;-2.08,1.08,;-3.28,.11,;-2.72,-1.33,;-1.19,-1.25,;-.1,-2.34,;1.39,-1.94,;1.79,-.45,;.7,.64,;-.79,.24,;3.28,-.05,;4.37,-1.14,;5.85,-.74,;6.25,.75,;5.16,1.83,;3.67,1.44,;-.5,-3.82,;.7,-4.79,;.15,-6.23,;-1.39,-6.15,;-2.48,-7.24,;-1.79,-4.66,;-4.76,.51,;-5.85,1.6,;-6.25,.11,;-3.41,3.39,)|
Fc1ccc(F)c(NS(=O)(=O)c2cccc(c2)-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)c1
Fc1ccc(F)c2c(ccnc12)-n1c(CC2CC2)nc2c(cc(cc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-4.75,7.12,;-4.75,5.58,;-6.08,4.81,;-6.08,3.27,;-4.75,2.5,;-4.75,.96,;-3.41,3.27,;-2.08,2.5,;-.75,3.27,;-.75,4.81,;-2.08,5.58,;-3.41,4.81,;-2.08,.96,;-3.28,-.01,;-4.76,-.41,;-5.16,-1.89,;-6.25,-2.98,;-4.76,-3.38,;-2.72,-1.45,;-1.19,-1.37,;-.1,-2.45,;1.39,-2.06,;1.79,-.57,;.7,.52,;-.79,.12,;3.28,-.17,;4.37,-1.26,;5.85,-.86,;6.25,.63,;5.16,1.72,;3.67,1.32,;-.5,-3.94,;.47,-5.14,;-.37,-6.43,;-1.85,-6.03,;-2.94,-7.12,;-1.93,-4.49,)|
Fc1ccc(F)c2c(ccnc12)-n1c(CC2CC2)nc2c(cc(cc12)N1CCOCC1)-c1ncco1 |(-4.75,6.78,;-4.75,5.24,;-6.08,4.47,;-6.08,2.93,;-4.75,2.16,;-4.75,.62,;-3.41,2.93,;-2.08,2.16,;-.75,2.93,;-.75,4.47,;-2.08,5.24,;-3.41,4.47,;-2.08,.62,;-3.28,-.35,;-4.76,-.75,;-5.16,-2.24,;-6.25,-3.33,;-4.76,-3.73,;-2.72,-1.79,;-1.19,-1.71,;-.1,-2.8,;1.39,-2.4,;1.79,-.91,;.7,.18,;-.79,-.22,;3.28,-.52,;4.37,-1.6,;5.85,-1.21,;6.25,.28,;5.16,1.37,;3.67,.97,;-.5,-4.29,;.47,-5.48,;-.37,-6.78,;-1.85,-6.38,;-1.93,-4.84,)|
Fc1ccc(F)c2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1cnc(Cl)[nH]1)C1CC1 |(-4.75,7.12,;-4.75,5.58,;-6.08,4.81,;-6.08,3.27,;-4.75,2.5,;-4.75,.96,;-3.41,3.27,;-2.08,2.5,;-.75,3.27,;-.75,4.81,;-2.08,5.58,;-3.41,4.81,;-2.08,.96,;-3.28,-.01,;-2.72,-1.45,;-1.19,-1.37,;-.1,-2.45,;1.39,-2.06,;1.79,-.57,;.7,.52,;-.79,.12,;3.28,-.17,;4.37,-1.26,;5.85,-.86,;6.25,.63,;5.16,1.72,;3.67,1.32,;-.5,-3.94,;.47,-5.14,;-.37,-6.43,;-1.85,-6.03,;-2.94,-7.12,;-1.93,-4.49,;-4.76,-.41,;-6.25,-.01,;-5.85,-1.5,)|
Fc1ccc(F)c2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1ncco1)C1CC1 |(-4.75,6.78,;-4.75,5.24,;-6.08,4.47,;-6.08,2.93,;-4.75,2.16,;-4.75,.62,;-3.41,2.93,;-2.08,2.16,;-.75,2.93,;-.75,4.47,;-2.08,5.24,;-3.41,4.47,;-2.08,.62,;-3.28,-.35,;-2.72,-1.79,;-1.19,-1.71,;-.1,-2.8,;1.39,-2.4,;1.79,-.91,;.7,.18,;-.79,-.22,;3.28,-.52,;4.37,-1.6,;5.85,-1.21,;6.25,.28,;5.16,1.37,;3.67,.97,;-.5,-4.29,;.47,-5.48,;-.37,-6.78,;-1.85,-6.38,;-1.93,-4.84,;-4.76,-.75,;-6.25,-.35,;-5.85,-1.84,)|
Fc1ccc(F)c2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nccs1)C1CC1 |(-4.75,6.78,;-4.75,5.24,;-6.08,4.47,;-6.08,2.93,;-4.75,2.16,;-4.75,.62,;-3.41,2.93,;-2.08,2.16,;-.75,2.93,;-.75,4.47,;-2.08,5.24,;-3.41,4.47,;-2.08,.62,;-3.28,-.35,;-2.72,-1.79,;-1.19,-1.71,;-.1,-2.8,;1.39,-2.4,;1.79,-.91,;.7,.18,;-.79,-.22,;3.28,-.52,;4.37,-1.6,;5.85,-1.21,;6.25,.28,;5.16,1.37,;3.67,.97,;-.5,-4.29,;-1.93,-4.84,;-1.85,-6.38,;-.37,-6.78,;.47,-5.48,;-4.76,-.75,;-6.25,-.35,;-5.85,-1.84,)|
Fc1ccc(F)c2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc(Cl)[nH]1)C1CC1 |(-4.8,7.12,;-4.8,5.58,;-6.13,4.81,;-6.13,3.27,;-4.8,2.5,;-4.8,.96,;-3.46,3.27,;-2.13,2.5,;-.8,3.27,;-.8,4.81,;-2.13,5.58,;-3.46,4.81,;-2.13,.96,;-3.33,-.01,;-2.77,-1.45,;-1.24,-1.37,;-.15,-2.45,;1.34,-2.06,;1.74,-.57,;.65,.52,;-.84,.12,;3.23,-.17,;4.31,-1.26,;5.8,-.86,;6.2,.63,;5.11,1.72,;3.62,1.32,;-.55,-3.94,;.42,-5.14,;-.42,-6.43,;-1.9,-6.03,;-2.99,-7.12,;-1.98,-4.49,;-4.87,-.01,;-6.2,.76,;-6.2,-.78,)|
Fc1ccc(F)c2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)C1COC1 |(-.96,6.83,;-.96,5.29,;-2.3,4.52,;-2.3,2.98,;-.96,2.21,;-.96,.67,;.37,2.98,;1.7,2.21,;3.04,2.98,;3.04,4.52,;1.7,5.29,;.37,4.52,;1.7,.67,;2.95,-.24,;2.47,-1.7,;.93,-1.7,;-.1,-2.85,;-1.6,-2.53,;-2.08,-1.06,;-1.05,.08,;.46,-.24,;-3.57,-.66,;-3.96,.82,;-5.45,1.22,;-6.54,.13,;-6.14,-1.35,;-4.66,-1.75,;.3,-4.33,;-.6,-5.58,;.3,-6.83,;1.77,-6.35,;1.77,-4.81,;4.44,.16,;5.77,-.61,;6.54,.72,;5.21,1.49,)|
Fc1ccc(F)c2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1cnc(Cl)[nH]1
Fc1ccc(F)c2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1cnc([nH]1)C#N
Fc1ccc(F)c2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1cnc([nH]1)C(F)(F)F
Fc1ccc(F)c2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1cnc[nH]1
Fc1ccc(F)c2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1ncco1
Fc1ccc(F)c2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1
Fc1ccc(F)c2c1nc([C@@H](Nc1ncnn3ccnc13)C1CC1)n(N1CCNCC1)c2=O |r|
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(ccc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cccc(c1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Fc1ccc2c(ccnc2c1)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1
Fc1ccc2c(ccnc2c1Cl)-n1c(CC2CC2)nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1 |(-6.79,5.29,;-5.46,4.52,;-5.46,2.98,;-4.12,2.21,;-2.79,2.98,;-1.46,2.21,;-.12,2.98,;-.12,4.52,;-1.46,5.29,;-2.79,4.52,;-4.12,5.29,;-4.12,6.83,;-1.46,.67,;-2.7,-.24,;-4.19,.16,;-5.28,-.93,;-6.77,-1.33,;-5.68,-2.42,;-2.23,-1.7,;-.69,-1.7,;.35,-2.85,;1.85,-2.53,;2.33,-1.06,;1.3,.08,;-.21,-.24,;3.81,-.66,;4.9,-1.75,;6.39,-1.35,;6.79,.13,;5.7,1.22,;4.21,.82,;-.05,-4.33,;.85,-5.58,;-.05,-6.83,;-1.52,-6.35,;-1.52,-4.81,)|
Fc1ccc2c(ccnc2c1Cl)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1cnc(Cl)[nH]1)C1CC1 |(-6.83,5.58,;-5.5,4.81,;-5.5,3.27,;-4.17,2.5,;-2.83,3.27,;-1.5,2.5,;-.16,3.27,;-.16,4.81,;-1.5,5.58,;-2.83,4.81,;-4.17,5.58,;-4.17,7.12,;-1.5,.96,;-2.69,-.01,;-2.14,-1.45,;-.6,-1.37,;.48,-2.45,;1.97,-2.06,;2.37,-.57,;1.28,.52,;-.21,.12,;3.86,-.17,;4.95,-1.26,;6.43,-.86,;6.83,.63,;5.74,1.72,;4.26,1.32,;.09,-3.94,;1.05,-5.14,;.22,-6.43,;-1.27,-6.03,;-2.36,-7.12,;-1.35,-4.49,;-4.18,.39,;-5.27,1.48,;-5.67,-.01,)|
Fc1ccc2c(ccnc2c1Cl)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc(Cl)[nH]1)C1CC1 |(-6.83,5.7,;-5.5,4.93,;-5.5,3.39,;-4.17,2.62,;-2.83,3.39,;-1.5,2.62,;-.16,3.39,;-.16,4.93,;-1.5,5.7,;-2.83,4.93,;-4.17,5.7,;-4.17,7.24,;-1.5,1.08,;-2.69,.11,;-2.14,-1.33,;-.6,-1.25,;.48,-2.34,;1.97,-1.94,;2.37,-.45,;1.28,.64,;-.21,.24,;3.86,-.05,;4.95,-1.14,;6.43,-.74,;6.83,.75,;5.74,1.83,;4.26,1.44,;.09,-3.82,;1.28,-4.79,;.73,-6.23,;-.81,-6.15,;-1.9,-7.24,;-1.21,-4.66,;-4.18,.51,;-5.27,1.6,;-5.67,.11,)|
Fc1ccc2c(ccnc2c1Cl)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)C1CC1 |(-6.79,5.29,;-5.46,4.52,;-5.46,2.98,;-4.12,2.21,;-2.79,2.98,;-1.46,2.21,;-.12,2.98,;-.12,4.52,;-1.46,5.29,;-2.79,4.52,;-4.12,5.29,;-4.12,6.83,;-1.46,.67,;-2.7,-.24,;-2.23,-1.7,;-.69,-1.7,;.35,-2.85,;1.85,-2.53,;2.33,-1.06,;1.3,.08,;-.21,-.24,;3.81,-.67,;4.9,-1.75,;6.39,-1.36,;6.79,.13,;5.7,1.22,;4.21,.82,;-.05,-4.34,;.79,-5.63,;-.18,-6.83,;-1.62,-6.27,;-1.54,-4.74,;-4.19,.16,;-5.28,1.25,;-5.68,-.24,)|
Fc1ccc2c(ccnc2c1Cl)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1
Fc1ccc2c(ccnc2c1F)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)C1CC1 |(-6.79,5.29,;-5.46,4.52,;-5.46,2.98,;-4.12,2.21,;-2.79,2.98,;-1.46,2.21,;-.12,2.98,;-.12,4.52,;-1.46,5.29,;-2.79,4.52,;-4.12,5.29,;-4.12,6.83,;-1.46,.67,;-2.7,-.24,;-2.23,-1.7,;-.69,-1.7,;.35,-2.85,;1.85,-2.53,;2.33,-1.06,;1.3,.08,;-.21,-.24,;3.81,-.66,;4.9,-1.75,;6.39,-1.35,;6.79,.13,;5.7,1.22,;4.21,.82,;-.05,-4.33,;.85,-5.58,;-.05,-6.83,;-1.52,-6.35,;-1.52,-4.81,;-4.19,.16,;-5.28,1.25,;-5.68,-.24,)|
Fc1cccc(c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Fc1cccc2c(ccnc12)-n1c(CC2CC2)nc2c(cc(cc12)N1CCOCC1)-c1cnc(Cl)[nH]1 |(-4.2,7.12,;-4.2,5.58,;-5.54,4.81,;-5.54,3.27,;-4.2,2.5,;-2.87,3.27,;-1.53,2.5,;-.2,3.27,;-.2,4.81,;-1.53,5.58,;-2.87,4.81,;-1.53,.96,;-2.73,-.01,;-4.22,.39,;-5.31,-.7,;-6.8,-1.1,;-5.71,-2.19,;-2.18,-1.45,;-.64,-1.37,;.45,-2.45,;1.93,-2.06,;2.33,-.57,;1.24,.52,;-.24,.12,;3.82,-.17,;4.91,-1.26,;6.4,-.86,;6.8,.63,;5.71,1.72,;4.22,1.32,;.05,-3.94,;1.02,-5.14,;.18,-6.43,;-1.31,-6.03,;-2.4,-7.12,;-1.39,-4.49,)|
Fc1cccc2c(ccnc12)-n1c(CC2CC2)nc2c(cc(cc12)N1CCOCC1)-c1ncco1 |(-4.2,6.78,;-4.2,5.24,;-5.54,4.47,;-5.54,2.93,;-4.2,2.16,;-2.87,2.93,;-1.53,2.16,;-.2,2.93,;-.2,4.47,;-1.53,5.24,;-2.87,4.47,;-1.53,.62,;-2.73,-.35,;-4.22,.04,;-5.31,-1.04,;-6.8,-1.44,;-5.71,-2.53,;-2.18,-1.79,;-.64,-1.71,;.45,-2.8,;1.93,-2.4,;2.33,-.91,;1.24,.18,;-.24,-.22,;3.82,-.52,;4.91,-1.6,;6.4,-1.21,;6.8,.28,;5.71,1.37,;4.22,.97,;.05,-4.29,;1.02,-5.48,;.18,-6.78,;-1.31,-6.38,;-1.39,-4.84,)|
Fc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1cnc(Cl)[nH]1)C1CC1 |(-4.75,7.12,;-4.75,5.58,;-6.08,4.81,;-6.08,3.27,;-4.75,2.5,;-3.41,3.27,;-2.08,2.5,;-.75,3.27,;-.75,4.81,;-2.08,5.58,;-3.41,4.81,;-2.08,.96,;-3.28,-.01,;-2.72,-1.45,;-1.19,-1.37,;-.1,-2.45,;1.39,-2.06,;1.79,-.57,;.7,.52,;-.79,.12,;3.28,-.17,;4.37,-1.26,;5.85,-.86,;6.25,.63,;5.16,1.72,;3.67,1.32,;-.5,-3.94,;.47,-5.14,;-.37,-6.43,;-1.85,-6.03,;-2.94,-7.12,;-1.93,-4.49,;-4.76,.39,;-5.85,1.48,;-6.25,-.01,)|
Fc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1ncco1)C1CC1 |(-4.75,6.78,;-4.75,5.24,;-6.08,4.47,;-6.08,2.93,;-4.75,2.16,;-3.41,2.93,;-2.08,2.16,;-.75,2.93,;-.75,4.47,;-2.08,5.24,;-3.41,4.47,;-2.08,.62,;-3.28,-.35,;-2.72,-1.79,;-1.19,-1.71,;-.1,-2.8,;1.39,-2.4,;1.79,-.91,;.7,.18,;-.79,-.22,;3.28,-.52,;4.37,-1.6,;5.85,-1.21,;6.25,.28,;5.16,1.37,;3.67,.97,;-.5,-4.29,;.47,-5.48,;-.37,-6.78,;-1.85,-6.38,;-1.93,-4.84,;-4.76,.04,;-5.85,1.13,;-6.25,-.35,)|
Fc1cccc2c(ccnc12)-n1c(nc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1)C1CC1 |(-4.68,6.83,;-4.68,5.29,;-6.01,4.52,;-6.01,2.98,;-4.68,2.21,;-3.35,2.98,;-2.01,2.21,;-.68,2.98,;-.68,4.52,;-2.01,5.29,;-3.35,4.52,;-2.01,.67,;-3.26,-.24,;-2.78,-1.7,;-1.24,-1.7,;-.21,-2.85,;1.29,-2.53,;1.77,-1.06,;.74,.08,;-.77,-.24,;3.26,-.66,;4.35,-1.75,;5.83,-1.35,;6.23,.13,;5.14,1.22,;3.66,.82,;-.61,-4.33,;.29,-5.58,;-.61,-6.83,;-2.07,-6.35,;-2.07,-4.81,;-4.75,.16,;-5.83,1.25,;-6.23,-.24,)|
Fc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1cnc(Cl)[nH]1
Fc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1
Fc1ccccc1S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Fc1nccc(-c2cc(-c3nnc[nH]3)c3ncn(-c4cc(nc5ccccc45)N4CCNCC4)c3c2)c1F
Fc1nccc(-c2cc(-c3nnc[nH]3)c3ncn(-c4ccnc5c(F)ccc(F)c45)c3c2)c1F
Fc1nccc(c1F)-c1ccc2ncn(-c3cc(nc4ccccc34)N3CCNCC3)c2c1
N#Cc1cc(ccn1)-c1cc(-c2nnc[nH]2)c2ncn(-c3cc(nc4ccccc34)-c3cn[nH]c3)c2c1
N#Cc1cc(ccn1)-c1cc(-c2nnc[nH]2)c2ncn(-c3cc(nc4ccccc34)N3CCNCC3)c2c1
NC(=O)CCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)CCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)CCCn1c(nc2c(Cl)cc(F)cc2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)CCCn1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)CCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)CCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)CCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C1CC1 |r|
NC(=O)[C@@H]1CCCN1C(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
NC(=O)[C@@H]1CCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
NC(=O)[C@@H]1CCCN1c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
NC(=O)[C@H]1CCCN1C(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
NC(=O)[C@H]1CCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
NC(=O)[C@H]1CCCN1c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
NC(=O)c1cc(F)cc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)c1cc(F)cc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)c1cc(F)cc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc(N)c1Cl)C1CC1 |r|
NC(=O)c1cc(cc2n(c(nc12)C1CC1)-c1ccnc2c(Cl)ccc(F)c12)-c1ccnc(N)c1F |(.08,-6.13,;-1.01,-5.04,;-2.49,-5.43,;-.61,-3.55,;.9,-3.23,;1.37,-1.76,;.34,-.62,;-1.16,-.94,;-2.41,-.03,;-3.65,-.94,;-3.18,-2.4,;-1.64,-2.4,;-5.19,-.94,;-6.53,-.17,;-6.53,-1.71,;-2.41,1.51,;-1.07,2.28,;-1.07,3.82,;-2.41,4.59,;-3.74,3.82,;-5.08,4.59,;-5.08,6.13,;-6.41,3.82,;-6.41,2.28,;-5.08,1.51,;-5.08,-.03,;-3.74,2.28,;2.86,-1.37,;3.26,.12,;4.75,.52,;5.84,-.57,;5.44,-2.06,;6.53,-3.14,;3.95,-2.45,;3.55,-3.94,)|
NC(=O)c1cc(cc2n(c(nc12)C1COC1)-c1ccnc2c(Cl)cccc12)-c1ccncc1 |(.79,-6.13,;-.3,-5.04,;-1.79,-5.43,;.1,-3.55,;1.6,-3.23,;2.08,-1.76,;1.05,-.62,;-.46,-.94,;-1.7,-.03,;-2.95,-.94,;-2.47,-2.4,;-.93,-2.4,;-4.44,-.54,;-5.21,.79,;-6.54,.02,;-5.77,-1.31,;-1.7,1.51,;-.37,2.28,;-.37,3.82,;-1.7,4.59,;-3.04,3.82,;-4.37,4.59,;-4.37,6.13,;-5.71,3.82,;-5.71,2.28,;-4.37,1.51,;-3.04,2.28,;3.57,-1.37,;4.66,-2.45,;6.14,-2.06,;6.54,-.57,;5.45,.52,;3.96,.12,)|
NC(=O)c1cc(cc2n(cnc12)-c1ccnc2c(Cl)cccc12)-c1ccncc1
NC(=O)c1cccc(c1)-n1c(nc2c(Cl)cc(F)cc2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)c1cccc(c1)-n1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)c1cccc(c1)-n1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)c1cccc(c1)-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)c1cccc(c1)-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)c1cccc(c1)-n1c(nc2c(cc(F)cc2c1=O)C#N)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)c1cccc(c1)-n1c(nc2cccc(C(F)F)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)c1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)c1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)c1cncc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)c1cncc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
NC1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
NC1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
NCC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
NCC(=O)N1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(Cl)c1C#N)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)c1ccccc1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc(N)c1C#N)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc2[nH]cc(Br)c12)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc2ccc(Cl)nc12)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc2cccnc12)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc2scnc12)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnn2ccnc12)C1CC1 |r|
N[C@@H](CO)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
N[C@H](CO)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1cc(ccn1)-c1cc(-c2nnc[nH]2)c2nc(C3CC3)n(-c3ccnc4c(Cl)ccc(F)c34)c2c1 |(6.58,-2.44,;5.49,-1.35,;4,-1.75,;2.91,-.66,;3.31,.82,;4.8,1.22,;5.89,.13,;1.43,-1.06,;.95,-2.53,;-.56,-2.85,;-.96,-4.33,;-.05,-5.58,;-.96,-6.83,;-2.42,-6.35,;-2.42,-4.81,;-1.59,-1.7,;-3.13,-1.7,;-3.6,-.24,;-5.09,.16,;-6.18,1.25,;-6.58,-.24,;-2.36,.67,;-2.36,2.21,;-1.02,2.98,;-1.02,4.52,;-2.36,5.29,;-3.69,4.52,;-5.02,5.29,;-5.02,6.83,;-6.36,4.52,;-6.36,2.98,;-5.02,2.21,;-4.25,.87,;-3.69,2.98,;-1.11,-.24,;.39,.08,)|
Nc1cc(ccn1)-c1cc(-c2nnc[nH]2)c2nc(C3CC3)n(-c3ccnc4c(Cl)cccc34)c2c1 |(6.58,-2.44,;5.49,-1.35,;4,-1.75,;2.91,-.66,;3.31,.82,;4.8,1.22,;5.89,.13,;1.43,-1.06,;.95,-2.53,;-.56,-2.85,;-.96,-4.33,;-.05,-5.58,;-.96,-6.83,;-2.42,-6.35,;-2.42,-4.81,;-1.59,-1.7,;-3.13,-1.7,;-3.6,-.24,;-5.09,.16,;-6.18,1.25,;-6.58,-.24,;-2.36,.67,;-2.36,2.21,;-1.02,2.98,;-1.02,4.52,;-2.36,5.29,;-3.69,4.52,;-5.02,5.29,;-5.02,6.83,;-6.36,4.52,;-6.36,2.98,;-5.02,2.21,;-3.69,2.98,;-1.11,-.24,;.39,.08,)|
Nc1cc(ccn1)-c1cc(-c2nnc[nH]2)c2nc(C3CC3)n(-c3ccnc4c(F)ccc(F)c34)c2c1 |(6.58,-2.44,;5.49,-1.35,;4,-1.75,;2.91,-.66,;3.31,.82,;4.8,1.22,;5.89,.13,;1.43,-1.06,;.95,-2.53,;-.56,-2.85,;-.96,-4.33,;-.05,-5.58,;-.96,-6.83,;-2.42,-6.35,;-2.42,-4.81,;-1.59,-1.7,;-3.13,-1.7,;-3.6,-.24,;-5.09,.16,;-6.18,1.25,;-6.58,-.24,;-2.36,.67,;-2.36,2.21,;-1.02,2.98,;-1.02,4.52,;-2.36,5.29,;-3.69,4.52,;-5.02,5.29,;-5.02,6.83,;-6.36,4.52,;-6.36,2.98,;-5.02,2.21,;-4.25,.87,;-3.69,2.98,;-1.11,-.24,;.39,.08,)|
Nc1cc(ccn1)-c1cc(-c2nnc[nH]2)c2nc(C3CC3)n(-c3ccnc4c(F)cccc34)c2c1 |(5.54,2.71,;5.14,1.22,;3.66,.82,;3.26,-.66,;4.35,-1.75,;5.83,-1.35,;6.23,.13,;1.77,-1.06,;1.29,-2.53,;-.21,-2.85,;-.61,-4.33,;.29,-5.58,;-.61,-6.83,;-2.07,-6.35,;-2.07,-4.81,;-1.24,-1.7,;-2.78,-1.7,;-3.26,-.24,;-4.75,.16,;-5.83,1.25,;-6.23,-.24,;-2.01,.67,;-2.01,2.21,;-.68,2.98,;-.68,4.52,;-2.01,5.29,;-3.35,4.52,;-4.68,5.29,;-4.68,6.83,;-6.01,4.52,;-6.01,2.98,;-4.68,2.21,;-3.35,2.98,;-.77,-.24,;.74,.08,)|
Nc1cc(ccn1)-c1cc(-c2nnc[nH]2)c2nc(C3COC3)n(-c3ccnc4c(Cl)ccc(F)c34)c2c1 |(6.89,-2.44,;5.8,-1.35,;4.31,-1.75,;3.22,-.66,;3.62,.82,;5.11,1.22,;6.2,.13,;1.73,-1.06,;1.26,-2.53,;-.25,-2.85,;-.65,-4.33,;.26,-5.58,;-.65,-6.83,;-2.11,-6.35,;-2.11,-4.81,;-1.28,-1.7,;-2.82,-1.7,;-3.3,-.24,;-4.78,.16,;-5.55,1.49,;-6.89,.72,;-6.12,-.61,;-2.05,.67,;-2.05,2.21,;-.72,2.98,;-.72,4.52,;-2.05,5.29,;-3.38,4.52,;-4.72,5.29,;-4.72,6.83,;-6.05,4.52,;-6.05,2.98,;-4.72,2.21,;-3.95,.87,;-3.38,2.98,;-.8,-.24,;.7,.08,)|
Nc1cc(ccn1)-c1cc(-c2nnc[nH]2)c2nc(CC3CC3)n(-c3ccnc4c(Cl)cccc34)c2c1 |(7.12,-2.44,;6.03,-1.35,;4.55,-1.75,;3.46,-.66,;3.86,.82,;5.34,1.22,;6.43,.13,;1.97,-1.06,;1.49,-2.53,;-.01,-2.85,;-.41,-4.33,;.49,-5.58,;-.41,-6.83,;-1.88,-6.35,;-1.88,-4.81,;-1.04,-1.7,;-2.58,-1.7,;-3.06,-.24,;-4.55,.16,;-5.64,-.93,;-7.12,-1.33,;-6.03,-2.42,;-1.81,.67,;-1.81,2.21,;-.48,2.98,;-.48,4.52,;-1.81,5.29,;-3.15,4.52,;-4.48,5.29,;-4.48,6.83,;-5.81,4.52,;-5.81,2.98,;-4.48,2.21,;-3.15,2.98,;-.57,-.24,;.94,.08,)|
Nc1cc(ccn1)-c1cc(-c2nnc[nH]2)c2nc(CC3CC3)n(-c3ccnc4c(F)ccc(F)c34)c2c1 |(7.12,-2.44,;6.03,-1.35,;4.55,-1.75,;3.46,-.66,;3.86,.82,;5.34,1.22,;6.43,.13,;1.97,-1.06,;1.49,-2.53,;-.01,-2.85,;-.41,-4.33,;.49,-5.58,;-.41,-6.83,;-1.88,-6.35,;-1.88,-4.81,;-1.04,-1.7,;-2.58,-1.7,;-3.06,-.24,;-4.55,.16,;-5.64,-.93,;-7.12,-1.33,;-6.03,-2.42,;-1.81,.67,;-1.81,2.21,;-.48,2.98,;-.48,4.52,;-1.81,5.29,;-3.15,4.52,;-4.48,5.29,;-4.48,6.83,;-5.81,4.52,;-5.81,2.98,;-4.48,2.21,;-3.71,.87,;-3.15,2.98,;-.57,-.24,;.94,.08,)|
Nc1cc(cnc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1ccc2cc(ccc2n1)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1cn2cc(ccc2n1)-c1ccc2nc(N)oc2c1
Nc1cn2cc(ccc2n1)-c1ccc2oc(N)nc2c1
Nc1n[nH]c2c(cccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1n[nH]c2cc(ccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc(N)c(C#N)c(NC2(CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2C2CCC2)n1
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2[C@@H]2C[C@H](O)C2)n1 |r,wU:27.29,29.32,wD:10.9,(6.67,-.93,;5.33,-1.7,;5.33,-3.24,;4,-4.01,;4,-5.55,;2.67,-3.24,;1.33,-4.01,;,-4.78,;2.67,-1.7,;1.33,-.93,;1.33,.61,;2.67,1.38,;4.21,1.38,;3.44,2.71,;,1.38,;-1.33,.61,;-2.67,1.38,;-4,.61,;-4,-.93,;-5.33,1.38,;-5.33,2.92,;-6.67,3.69,;-4,3.69,;-2.67,2.92,;-1.33,3.69,;-1.33,5.23,;,2.92,;1.33,3.69,;2.82,3.29,;3.22,4.78,;4.55,5.55,;1.73,5.18,;4,-.93,)|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2[C@H]2C[C@H](O)C2)n1 |r,wU:27.29,wD:10.9,29.32,(6.67,-.93,;5.33,-1.7,;5.33,-3.24,;4,-4.01,;4,-5.55,;2.67,-3.24,;1.33,-4.01,;,-4.78,;2.67,-1.7,;1.33,-.93,;1.33,.61,;2.67,1.38,;4.21,1.38,;3.44,2.71,;,1.38,;-1.33,.61,;-2.67,1.38,;-4,.61,;-4,-.93,;-5.33,1.38,;-5.33,2.92,;-6.67,3.69,;-4,3.69,;-2.67,2.92,;-1.33,3.69,;-1.33,5.23,;,2.92,;1.33,3.69,;1.73,5.18,;3.22,4.78,;4.55,5.55,;2.82,3.29,;4,-.93,)|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2[C@@H]2C[C@H](O)C2)n1 |r,wU:27.29,29.32,wD:10.9,(6,-.93,;4.67,-1.7,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;-.67,-4.78,;2,-1.7,;.67,-.93,;.67,.61,;2,1.38,;3.54,1.38,;2.77,2.71,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;2.15,3.29,;2.55,4.78,;3.89,5.55,;1.07,5.18,;3.33,-.93,)|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2[C@H]2C[C@H](O)C2)n1 |r,wU:27.29,wD:10.9,29.32,(6,-.93,;4.67,-1.7,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;-.67,-4.78,;2,-1.7,;.67,-.93,;.67,.61,;2,1.38,;3.54,1.38,;2.77,2.71,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;1.07,5.18,;2.55,4.78,;3.89,5.55,;2.15,3.29,;3.33,-.93,)|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2N2CCNCC2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(F)c3c(=O)n2N2CCNCC2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCC#N)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCC#N)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCCC#N)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCNC2CCC(F)(F)CC2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCNC2CCC2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCNC2COC2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2N2CCN(Cc3ccccc3)CC2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2N2CCNCC2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2N2CCOCC2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2[C@@H]2[C@H]3CNC[C@@H]23)n1 |r|
Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2cccc(F)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2[C@@H]2C[C@H](O)C2)n1 |r,wU:26.28,28.31,wD:9.8,(6,-.93,;4.67,-1.7,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;2,-1.7,;.67,-.93,;.67,.61,;2,1.38,;3.54,1.38,;2.77,2.71,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;2.15,3.29,;2.55,4.78,;3.89,5.55,;1.07,5.18,;3.33,-.93,)|
Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCC#N)n1 |r|
Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2N2CCOCC2)n1 |r|
Nc1nc2c(cccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(c(Cl)cc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(c(Cl)cc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
Nc1nc2cc(c(F)cc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(c(F)cc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
Nc1nc2cc(cc(Cl)c2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(cc(Cl)c2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
Nc1nc2cc(cc(F)c2o1)-c1ccc2nc(N)sc2c1
Nc1nc2cc(cc(F)c2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(cc(F)c2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
Nc1nc2cc(cc(F)c2o1)-c1ccc2sc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1c[nH]c2nccc(-c3ccncc3)c12
Nc1nc2cc(ccc2o1)-c1cc(F)c2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1cc(F)c2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1cc2nccc(-c3ccncc3)c2s1
Nc1nc2cc(ccc2o1)-c1ccc(cc1)-c1ccc2ncc(n2c1)S(=O)(=O)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2[nH]nc(N)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2c(N)n[nH]c2c1
Nc1nc2cc(ccc2o1)-c1ccc2nc(N)c(nc2c1)N1CC(C1)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2nc(N)sc2c1
Nc1nc2cc(ccc2o1)-c1ccc2nc(cnc2n1)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(-c3ccc(nc3)N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(-c3cccnc3)n2n1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(-c3ccncc3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(-c3ccncc3)n2n1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(=O)[nH]c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N(CCO)CCO)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3C4CCC3COC4)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(C3)N3CCC(F)(F)C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(C3)N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(C3)N3CC[C@@H](O)C3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(C3)N3CC[C@H](O)C3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(C3)n3cccn3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(F)(F)C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(F)C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(O)C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC4(C3)OCCO4)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC4CCC(C3)O4)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(C3)N3CC(F)(F)C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(C3)N3CCC(F)(F)C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(CC3)N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(F)(F)C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(F)(F)CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(F)CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(O)C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(O)CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC4(C3)OCCO4)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCCCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCN(CC3)C3CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCN(CC4CC4)CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCN(CCO)CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCNCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2n1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCS(=O)(=O)CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@@H](C3)N3CCOCC3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@@H](C3)n3cccn3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@@H](F)C3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@@H](O)C3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@H](C3)N3CCOCC3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@H](C3)n3cccn3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@H](F)C3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@H](O)C3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCn4cncc4C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NC3CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NC3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NC3CC[C@H](O)CC3)n2c1 |r,wU:23.25,(5.65,-3.53,;4.88,-2.2,;3.35,-2.04,;3.03,-.53,;1.7,.24,;1.7,1.78,;3.03,2.55,;4.37,1.78,;4.37,.24,;5.51,-.79,;.36,2.55,;.36,4.09,;-.97,4.86,;-2.3,4.09,;-3.77,4.56,;-4.67,3.32,;-3.77,2.07,;-4.17,.59,;-5.65,.19,;-3.08,-.5,;-1.99,-1.59,;-2.39,-3.08,;-1.3,-4.17,;.19,-3.77,;1.28,-4.86,;.59,-2.28,;-.5,-1.19,;-2.3,2.55,;-.97,1.78,)|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NCCCN3CCCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NCCCN3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NCCN3CCCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NCCO)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)Nc3cccnc3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(N3CCOCC3)n2n1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(NC3CCOCC3)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(NC3CC[C@H](O)CC3)nc2c1 |r,wU:21.23,(6.65,-3.77,;5.88,-2.44,;4.34,-2.28,;4.02,-.77,;2.69,,;2.69,1.54,;4.02,2.31,;5.36,1.54,;5.36,,;6.5,-1.03,;1.36,2.31,;1.36,3.85,;.02,4.62,;-1.31,3.85,;-2.64,4.62,;-3.98,3.85,;-3.98,2.31,;-5.31,1.54,;-5.31,,;-6.65,-.77,;-6.65,-2.31,;-5.31,-3.08,;-5.31,-4.62,;-3.98,-2.31,;-3.98,-.77,;-2.64,1.54,;-1.31,2.31,;.02,1.54,)|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(NCCCN3CCCC3)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(NCCCN3CCOCC3)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(NCCN3CCCC3)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(NCCN3CCOCC3)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2c1)C#N
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2c1)C(=O)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)-c1cccnc1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CC(C1)N1C2CCC1COC2
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CC(C1)N1CCN(CC1)C1CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CC(C1)N1CCN(CC2CC2)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CC(C1)N1CCN(CCO)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CC(C1)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CC2CCC(C1)O2
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CCC(O)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1ccc(nc1)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1ccccc1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1ccccn1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1cccnc1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1ccnc(c1)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1ccncc1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1cn[nH]c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1cnc(N)nc1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1cnn(CCO)c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)C(=O)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)C(=O)N1CCN(CC1)C1CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)C(=O)N1CCN(CC2CC2)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)C(=O)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)C(=O)NC1CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCC(O)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCN(CC1)C1CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCN(CC2CC2)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCN(CCO)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCNC(=O)C1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCNCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCS(=O)(=O)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CC[C@@H](O)C1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CC[C@H](O)C1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)n1cccn1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)n1ccnc1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(O)C1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCC(CC1)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCC(CC1)n1cccn1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCC(CC1)n1ccnc1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCC(O)C1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCC(O)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCCCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC(F)(F)F)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC1)C(=O)C1(N)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC1)C(=O)C1(N)CCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC1)C(=O)C1CCCN1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC1)C(=O)CN1CCCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC1)C1CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC2CC2)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC2CC2)CC1=O
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CCO)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCNC(=O)C1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCNC(C1)C(F)(F)F
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCNC(C1)C(F)F
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCNCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCNCC1=O
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCS(=O)(=O)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC[C@@H](C1)N1CCOCC1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC[C@H](C1)N1CCOCC1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC[C@H](O)C1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCn2cncc2C1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)-c1cccnc1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)C1=CCOCC1 |t:24,(6.65,-4.2,;5.88,-2.86,;4.34,-2.7,;4.02,-1.19,;2.69,-.42,;2.69,1.12,;4.02,1.89,;5.36,1.12,;5.36,-.42,;6.5,-1.45,;1.36,1.89,;1.36,3.43,;.02,4.2,;-1.31,3.43,;-2.64,4.2,;-3.98,3.43,;-3.98,1.89,;-2.64,1.12,;-1.31,1.89,;.02,1.12,;-5.31,1.12,;-6.65,.35,;-6.65,-1.19,;-5.31,-1.96,;-3.98,-1.19,;-3.98,.35,)|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1C2CCC1COC2
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1C2CCC1COC2
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1CC2CCC(C1)O2
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1CCN(CC1)C1CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1CCN(CC2CC2)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1CCN(CCO)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1CCNCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC2CCC(C1)O2
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CCC(F)(F)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CCC(O)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CCN(CC1)C(=O)C1(N)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CCNC(=O)C1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2nccc(-c3cn[nH]c3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(-c3ccccc3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C(=O)N3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C3CC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C3CCC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C3CCCC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C3CCNCC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(CCCN3CCCC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(CCCN3CCOCC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(CCN3CCCC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(CCN3CCOCC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(CCO)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncnc(N3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncnc(NC3CCN(CC3)C(=O)C3CC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncnc(NC3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncnc(OC3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2nnc(-c3cccnc3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2nnc(-c3ccncc3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2nnc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2sc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1cccc2[nH]nc(N)c12
Nc1nc2cc(ccc2o1)-c1ccn2ncc(-c3ccncc3)c2c1
Nc1nc2cc(ccc2o1)-c1ccn2ncc(-c3ccncc3)c2n1
Nc1nc2cc(ccc2o1)-c1ccn2ncc(C(=O)N3CCC(CC3)N3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccn2ncc(C(=O)N3CCCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccn2ncc(C(=O)N3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1cn(C2CCOCC2)c2ncnc(N)c12
Nc1nc2cc(ccc2o1)-c1cn2c(cnc2cn1)-c1ccncc1
Nc1nc2cc(ccc2o1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
Nc1nc2cc(ccc2o1)-c1cn2c(cnc2cn1)C(=O)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1cnc(N)nc1
Nc1nc2cc(ccc2o1)-c1cnc2ccc(nc2c1)N1C2CCC1COC2
Nc1nc2cc(ccc2o1)-c1cnc2ccc(nc2c1)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1cnc2ncc(-c3ccncc3)n2c1
Nc1nc2cc(ccc2o1)-c1nc(N2CCOCC2)c2cnn(C3CCNCC3)c2n1
Nc1nc2cc(ccc2o1)-c1nc2cc(cnc2s1)-c1cccnc1
Nc1nc2cc(ccc2o1)-c1nn(C2CC(=O)C2)c2ncnc(N)c12
Nc1nc2cc(ccc2o1)-c1nn(C2CC(O)C2)c2ncnc(N)c12 |(4.74,6.71,;3.41,5.94,;3.41,4.4,;1.95,3.92,;1.32,2.51,;-.21,2.35,;-1.12,3.6,;-.49,5,;1.04,5.17,;1.95,6.41,;-.61,.86,;.29,-.38,;-.61,-1.63,;-.21,-3.11,;-.98,-4.45,;.35,-5.22,;.75,-6.71,;1.12,-3.88,;-2.08,-1.15,;-3.41,-1.92,;-4.74,-1.15,;-4.74,.39,;-3.41,1.16,;-3.41,2.7,;-2.08,.39,)|
Nc1nc2cc(ccc2o1)-c1nn(C2CCC(CC2)N2CCOCC2)c2ncnc(N)c12 |(4.74,8.63,;3.41,7.86,;3.41,6.32,;1.95,5.84,;1.32,4.44,;-.21,4.28,;-1.12,5.52,;-.49,6.93,;1.04,7.09,;1.95,8.34,;-.61,2.79,;.29,1.54,;-.61,.3,;-.21,-1.19,;-1.3,-2.28,;-.9,-3.77,;.58,-4.17,;1.67,-3.08,;1.27,-1.59,;.98,-5.65,;-.11,-6.74,;.29,-8.23,;1.78,-8.63,;2.87,-7.54,;2.47,-6.05,;-2.08,.77,;-3.41,0,;-4.74,.77,;-4.74,2.31,;-3.41,3.08,;-3.41,4.62,;-2.08,2.31,)|
Nc1nc2cc(ccc2o1)-c1nn(C2CCOCC2)c2ncnc(N)c12
Nc1nc2cc(ccc2o1)-c1nn(CC2SSCC2OC(=O)c2ccccc2)c2ncnc(N)c12
Nc1nc2cc(ccc2s1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(ccc2s1)-c1ccc2ncc(nc2c1)N1CCOCC1
Nc1nc2cc(ccc2s1)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nc2cc(cnc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2ccc(cc2o1)-c1cc(F)c2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2ccc(cc2o1)-c1cc(F)c2oc(N)nc2c1
Nc1nc2ccc(cc2o1)-c1ccc2nc(N)oc2c1
Nc1nc2ccc(cc2o1)-c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2ccc(cc2o1)-c1ccc2ncc(nc2c1)N1CCOCC1
Nc1nc2ccc(cc2o1)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nc2ccc(cc2o1)-c1ccc2ncn(C3CCOCC3)c(=O)c2c1
Nc1nc2ccc(cc2o1)-c1ccc2nnc(-c3cccnc3)n2c1
Nc1nc2ccc(cc2o1)-c1ccc2nnc(-c3ccncc3)n2c1
Nc1nc2ccc(cc2o1)-c1ccc2nnc(C(=O)N3CCCC3)n2c1
Nc1nc2ccc(cc2o1)-c1ccc2sc(N)nc2c1
Nc1nc2ccc(cc2s1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2ccc(cc2s1)-c1ccc2ncc(nc2c1)N1CCOCC1
Nc1nc2ccc(cc2s1)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nc2cccc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)c2o1
Nc1nc2cccc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)c2s1
Nc1nc2cccc(-c3ccc4nccc(-c5ccncc5)c4c3)c2o1
Nc1nc2cccc(-c3ccc4nccc(-c5ccncc5)c4c3)c2s1
Nc1nc2nc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1ncc(cc1C(F)(F)F)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1ncc2cc(ccc2n1)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nccc(-c2cc(-c3nnc[nH]3)c3nc(C4CC4)n(-c4ccnc5c(Cl)ccc(F)c45)c3c2)c1F |(6.53,-2.44,;5.44,-1.35,;5.84,.13,;4.75,1.22,;3.26,.82,;2.86,-.66,;1.37,-1.06,;.9,-2.53,;-.61,-2.85,;-1.01,-4.33,;-.1,-5.58,;-1.01,-6.83,;-2.47,-6.35,;-2.47,-4.81,;-1.64,-1.7,;-3.18,-1.7,;-3.65,-.24,;-5.19,-.24,;-6.53,.53,;-6.53,-1.01,;-2.41,.67,;-2.41,2.21,;-1.07,2.98,;-1.07,4.52,;-2.41,5.29,;-3.74,4.52,;-5.08,5.29,;-5.08,6.83,;-6.41,4.52,;-6.41,2.98,;-5.08,2.21,;-5.08,.67,;-3.74,2.98,;-1.16,-.24,;.34,.08,;3.95,-1.75,;3.55,-3.24,)|
Nc1nccc(-c2cc(-c3nnc[nH]3)c3nc(C4CC4)n(-c4ccnc5c(Cl)cccc45)c3c2)c1F |(6.58,-2.44,;5.49,-1.35,;5.89,.13,;4.8,1.22,;3.31,.82,;2.91,-.66,;1.43,-1.06,;.95,-2.53,;-.56,-2.85,;-.96,-4.33,;-.05,-5.58,;-.96,-6.83,;-2.42,-6.35,;-2.42,-4.81,;-1.59,-1.7,;-3.13,-1.7,;-3.6,-.24,;-5.09,.16,;-6.18,1.25,;-6.58,-.24,;-2.36,.67,;-2.36,2.21,;-1.02,2.98,;-1.02,4.52,;-2.36,5.29,;-3.69,4.52,;-5.02,5.29,;-5.02,6.83,;-6.36,4.52,;-6.36,2.98,;-5.02,2.21,;-3.69,2.98,;-1.11,-.24,;.39,.08,;4,-1.75,;3.6,-3.24,)|
Nc1nccc(-c2cc(-c3nnc[nH]3)c3nc(C4CC4)n(-c4ccnc5c(F)ccc(F)c45)c3c2)c1F |(6.53,-2.44,;5.44,-1.35,;5.84,.13,;4.75,1.22,;3.26,.82,;2.86,-.66,;1.37,-1.06,;.9,-2.53,;-.61,-2.85,;-1.01,-4.33,;-.1,-5.58,;-1.01,-6.83,;-2.47,-6.35,;-2.47,-4.81,;-1.64,-1.7,;-3.18,-1.7,;-3.65,-.24,;-5.19,-.24,;-6.53,.53,;-6.53,-1.01,;-2.41,.67,;-2.41,2.21,;-1.07,2.98,;-1.07,4.52,;-2.41,5.29,;-3.74,4.52,;-5.08,5.29,;-5.08,6.83,;-6.41,4.52,;-6.41,2.98,;-5.08,2.21,;-5.08,.67,;-3.74,2.98,;-1.16,-.24,;.34,.08,;3.95,-1.75,;3.55,-3.24,)|
Nc1nccc(-c2cc(-c3nnc[nH]3)c3nc(C4CC4)n(-c4ccnc5c(F)cccc45)c3c2)c1F |(6.58,-2.44,;5.49,-1.35,;5.89,.13,;4.8,1.22,;3.31,.82,;2.91,-.66,;1.43,-1.06,;.95,-2.53,;-.56,-2.85,;-.96,-4.33,;-.05,-5.58,;-.96,-6.83,;-2.42,-6.35,;-2.42,-4.81,;-1.59,-1.7,;-3.13,-1.7,;-3.6,-.24,;-5.09,.16,;-6.18,1.25,;-6.58,-.24,;-2.36,.67,;-2.36,2.21,;-1.02,2.98,;-1.02,4.52,;-2.36,5.29,;-3.69,4.52,;-5.02,5.29,;-5.02,6.83,;-6.36,4.52,;-6.36,2.98,;-5.02,2.21,;-3.69,2.98,;-1.11,-.24,;.39,.08,;4,-1.75,;3.6,-3.24,)|
Nc1nccc(-c2cc(-c3nnc[nH]3)c3nc(CC4CC4)n(-c4ccnc5c(F)ccc(F)c45)c3c2)c1F |(6.91,-2.44,;5.82,-1.35,;6.22,.13,;5.13,1.22,;3.65,.82,;3.25,-.66,;1.76,-1.06,;1.28,-2.53,;-.22,-2.85,;-.62,-4.33,;.28,-5.58,;-.62,-6.83,;-2.09,-6.35,;-2.09,-4.81,;-1.25,-1.7,;-2.79,-1.7,;-3.27,-.24,;-4.81,-.24,;-5.58,-1.57,;-6.91,-2.34,;-5.58,-3.11,;-2.02,.67,;-2.02,2.21,;-.69,2.98,;-.69,4.52,;-2.02,5.29,;-3.36,4.52,;-4.69,5.29,;-4.69,6.83,;-6.02,4.52,;-6.02,2.98,;-4.69,2.21,;-4.69,.67,;-3.36,2.98,;-.78,-.24,;.73,.08,;4.34,-1.75,;3.94,-3.24,)|
Nc1nccc(-c2cc(-c3nnc[nH]3)c3ncn(-c4cc(nc5ccccc45)N4CCNCC4)c3c2)c1F
Nc1nccc(-c2cc(-c3nnc[nH]3)c3ncn(-c4ccnc5c(F)ccc(F)c45)c3c2)c1F
Nc1nccc(-c2ccc3ncn(-c4cc(nc5ccccc45)N4CCNCC4)c3c2)c1F
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2cccc(NC(=O)NCC(F)(F)F)c2)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2cccc(NC(=O)NCC3OCCO3)c2)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2cccc(NC(=O)Nc3ccccn3)c2)c1C#N |r|
Nc1ncnc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2N2CCNCC2)c1C#N |r|
Nc1ncnc(N[C@@H](COCc2ccccc2)c2nc3cccc(Cl)c3c(=O)n2-c2cccc(NC(=O)NCCCO)c2)c1C#N |r|
Nc1ncnc2ccc(cc12)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1ncnc2n(nc(-c3cc4c(Cl)cccc4[nH]3)c12)C1CCOCC1
Nc1ncnc2n(nc(-c3cc4cc(O)cc(Cl)c4[nH]3)c12)C1CCOCC1
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CC(=O)C1
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CC(C1)N1CCOCC1 |(-2.36,3.11,;-2.36,1.57,;-3.69,.8,;-3.69,-.74,;-2.36,-1.51,;-1.02,-.74,;.44,-1.22,;1.35,.03,;.44,1.27,;.84,2.76,;-.06,4,;.84,5.25,;.52,6.76,;1.67,7.79,;1.27,9.27,;3.13,7.31,;3.45,5.8,;2.31,4.77,;2.31,3.23,;-1.02,.8,;.84,-2.71,;.07,-4.04,;1.4,-4.81,;2.17,-3.48,;1.8,-6.3,;.71,-7.39,;1.11,-8.88,;2.6,-9.27,;3.69,-8.19,;3.29,-6.7,)|
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CC(O)C1 |(-2.24,1.62,;-2.24,.08,;-3.57,-.69,;-3.57,-2.23,;-2.24,-3,;-.9,-2.23,;.56,-2.71,;1.47,-1.46,;.56,-.22,;.96,1.27,;.06,2.52,;.96,3.76,;.64,5.27,;1.79,6.3,;1.39,7.79,;3.25,5.82,;3.57,4.32,;2.43,3.29,;2.43,1.75,;-.9,-.69,;.96,-4.2,;.19,-5.53,;1.52,-6.3,;1.92,-7.79,;2.29,-4.97,)|
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCC(CC1)N1CCOCC1 |w:23.30,(-2.24,3.7,;-2.24,2.16,;-3.57,1.39,;-3.57,-.15,;-2.24,-.92,;-.9,-.15,;.56,-.63,;1.47,.62,;.56,1.86,;.96,3.35,;.06,4.6,;.96,5.84,;.64,7.35,;1.79,8.38,;1.39,9.87,;3.25,7.9,;3.57,6.4,;2.43,5.37,;2.43,3.83,;-.9,1.39,;.56,-2.17,;-.77,-2.94,;-.77,-4.48,;.56,-5.25,;1.9,-4.48,;1.9,-2.94,;.56,-6.79,;-.77,-7.56,;-.77,-9.1,;.56,-9.87,;1.9,-9.1,;1.9,-7.56,)|
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCCCC1
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCN(CC1)C(=O)C1CC1
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCOCC1
Nc1ncnc2n(nc(-c3cc4ccc(O)cc4[nH]3)c12)C1CCOCC1
Nc1ncnc2n(nc(-c3cc4cccc(Cl)c4[nH]3)c12)C1CCOCC1
Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCN(CC1)C(=O)C1CC1
Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCOCC1
Nc1noc2c(cccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1noc2cc(ccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1noc2cc(ccc12)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1noc2ccc(cc12)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nsc2c(cccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nsc2cc(ccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nsc2cc(ccc12)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nsc2ccc(cc12)-c1ccc2nccc(-c3ccncc3)c2c1
O=C(N1CCC2(COC2)CC1)c1nc2c(nc(nc2[nH]1)-c1cn[nH]c1)N1CCOCC1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1ccc2N=NCc2c1 |c:24|
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1ccc2c(Nc3ccccc3)noc2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1ccc2c(Nc3ccccc3)nsc2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1ccc2oc(NC3CC3)nc2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1ccc2oc(Nc3ccccc3)nc2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1cccc(NS(=O)(=O)c2ccccc2)c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1cccc(c1)S(=O)(=O)Nc1ccccc1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1cncc(c1)S(=O)(=O)Nc1ccccc1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1cncc2[nH]ncc12
O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1
O=c1cc(oc2c(csc12)-c1ccccc1)N1CCOCC1
O=c1cc(oc2ccsc12)N1CCOCC1
OC(=N)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C1CC1 |r|
OCCCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](COCc1ccccc1)Nc1ncnc2[nH]cnc12 |r|