Compound Name

SMILES String

C1CC1c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc2cc[nH]c2c1

CC(=O)N1CC(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)C1CC1

CC(=O)N1CCC(C1)c1cc(Nc2cc(C)ccn2)nc(n1)N1CCCC1

CC(=O)N1CCC(C1)c1cc(Nc2cc(C)ccn2)nc(n1)N1CCCCC1

CC(=O)N1CCC(CC1)(C#N)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1

CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1

CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)N1CCC(F)(F)C1

CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)-c1cnn(C)c1

CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CC(F)(F)C1

CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CC(F)C(F)C1

CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(C1)C(F)(F)F

CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1

CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCOCC1

CC(=O)N1CCCC(C1)c1cc(Nc2cc(C)ccn2)nc(n1)-c1ccccc1

CC(=O)N1CCCC(C1)c1cc(Nc2cc(C)ccn2)nc(n1)N1CCC1

CC(C)(C#N)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1

CC(C)(C)Cc1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1

CC(C)(C)Cc1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)F)c1

CC(C)(C)Cc1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(c1)C(F)(F)F

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

CC(C)(C)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCNCC2)c1

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

CC(C)(O)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1

CC(C)C(O)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1

CC(C)C(O)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(c1)C(F)(F)F

CC(C)C(O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(OC(F)(F)F)c1

CC(C)C(O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(c1)C(F)(F)F

CC(C)Cc1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)C(F)F

CC(C)Cc1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1

CC(C)Cc1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)F)c1

CC(C)Cc1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(c1)C(F)(F)F

CC(C)N(C1CC1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

CC(C)N(C1CCC1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

CC(C)Oc1cc(cnc1N)-c1nc(N2CC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1

CC(C)Oc1cc(cnc1N)-c1nc(N2CC3CC2C3)c2nc3n(CCOC3(C)C)c2n1 |(-5.28,5.19,;-4.51,3.85,;-2.97,3.85,;-5.28,2.52,;-4.51,1.18,;-2.97,1.18,;-2.2,-.15,;-2.97,-1.48,;-4.51,-1.48,;-5.28,-.15,;-6.82,-.15,;-.66,-.15,;.11,-1.48,;1.65,-1.48,;2.42,-2.82,;3.96,-2.82,;4.44,-4.28,;3.19,-5.19,;1.94,-4.28,;3.16,-3.55,;2.42,-.15,;3.93,.17,;4.09,1.7,;2.68,2.33,;2.52,3.86,;3.77,4.77,;5.17,4.14,;5.33,2.61,;6.82,3.01,;6.1,1.27,;1.65,1.18,;.11,1.18,)|

CC(C)Oc1cc(cnc1N)-c1nc(N2CCC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1

CC(C)Oc1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCOCC1

CC(C)Oc1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

CC(C)[C@@H](O)c1nc(cn1C12CC(C1)(C2)N1CCC(F)(F)CC1)-c1cnc(N)c(OC(F)(F)F)c1 |r|

CC(C)[C@@H](O)c1nc(cn1C12CC(C1)(C2)N1CCC(F)(F)CC1)-c1cnc(N)c(c1)C(F)(F)F |r|

CC(C)[C@@H](O)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1 |r|

CC(C)[C@H](O)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1 |r|

CC(C)[C@H](O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(c1)C(F)(F)F |r|

CC(C)[C@H](O)c1nc(cn1C12CC(F)(C1)C2)-c1cnc(N)c(OC(F)(F)F)c1 |r|

CC(C)[C@H](O)c1nc(cn1C12CC(F)(C1)C2)-c1cnc(N)c(c1)C(F)(F)F |r|

CC(C)c1c[nH]c2ncc(cc12)-c1nc(N2CC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1 |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|

CC(C)c1c[nH]c2ncc(cc12)-c1nc(N2CCC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1 |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|

CC(C)c1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1

CC(C)c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCCN(C)C1

CC(C)c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCNC(=O)C1

CC(C)c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CN(C1)C1COC1

CC(C)c1nc(cn1C12CC(C1)(C2)N1CCN(C)CC1)-c1cnc(N)c(OC(F)(F)F)c1

CC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1

CC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)F)c1

CC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(c1)C(F)(F)F

CC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc2ccn(C(C)c3ccccn3)c2c1

CC(C)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(c1)C(F)(F)F

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

CC(C)n1nc(Nc2cc(ccn2)C#N)cc1C1CCNCC1

CC(C)n1nc(Nc2cc(ccn2)C(F)(F)F)cc1C1CCNCC1

CC(C)n1nc(Nc2ccc(cn2)C#N)cc1C1CCNCC1

CC(C)n1nc(Nc2ccc(cn2)C(F)(F)F)cc1C1CCNCC1

CC(C)n1nc(cc1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1

CC(C)n1nc(cc1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(c1)C(F)(F)F

CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc(N)c(C)c1

CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc(N)c(Cl)c1

CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc(N)c(c1)C(F)(F)F

CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(C)c2c1

CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(Cl)c2c1

CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(F)c2c1

CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(c2c1)C(F)(F)F

CC(C)n1nccc1-c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

CC(O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(OC(F)(F)F)c1

CC(Oc1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1)C1CC1

CC1(C)CN(C1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

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

CC1(C)OCCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC1C2 |(5.29,.74,;5.29,-.8,;6.62,-.03,;6.3,-1.89,;6.03,-3.41,;4.67,-4.14,;3.25,-3.53,;2.84,-2.05,;3.75,-.8,;2.84,.45,;1.38,-.03,;.05,.74,;-1.29,-.03,;-1.29,-1.57,;.05,-2.34,;1.38,-1.57,;-2.62,-2.34,;-3.95,-1.57,;-5.29,-2.34,;-5.29,-3.88,;-6.62,-4.65,;-3.95,-4.65,;-2.62,-3.88,;.05,2.28,;-1.2,3.19,;-.72,4.65,;.82,4.65,;1.29,3.19,;.05,3.32,)|

CC1(C)OCCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCCC1

CC1(C)OCCn2c1nc1c(NC3CC3)nc(nc21)-c1cnc(N)nc1

CC1(C)OCCn2c1nc1c(NC3CCC3)nc(nc21)-c1cnc(N)nc1

CC1(C)OCCn2c1nc1c(NC3CCCC3)nc(nc21)-c1cnc(N)nc1

CC1(C)OCCn2c1nc1c(OC3CC4CC4C3)nc(nc21)-c1cnc(N)nc1

CC1(C)OCCn2c1nc1c(OC3CCC3)nc(nc21)-c1cnc(N)nc1

CC1(C)OCCn2c1nc1c(OC3CCCC3)nc(nc21)-c1cnc(N)nc1

CC1(C)OCCn2c1nc1c(OCC3CC3)nc(nc21)-c1cnc(N)nc1

CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)c(OC(F)F)c1)C1CC1

CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)c(c1)C#N)N1CC2CC1C2 |(-6.27,.53,;-5.87,-.96,;-7.36,-.56,;-6.5,-2.37,;-5.6,-3.61,;-4.06,-3.45,;-3.44,-2.05,;-4.34,-.8,;-3.44,.45,;-1.97,-.03,;-.64,.74,;.69,-.03,;.69,-1.57,;-.64,-2.34,;-1.97,-1.57,;2.03,-2.34,;2.03,-3.88,;3.36,-4.65,;4.7,-3.88,;6.03,-4.65,;4.7,-2.34,;3.36,-1.57,;6.03,-1.57,;7.36,-.8,;-.64,2.28,;-1.89,3.19,;-1.41,4.65,;.13,4.65,;.61,3.19,;-.64,3.32,)|

CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)c(c1)C(F)(F)F)N1CC2CC1C2 |(-5.95,.58,;-5.95,-.96,;-7.29,-.19,;-6.58,-2.37,;-5.67,-3.61,;-4.14,-3.45,;-3.51,-2.05,;-4.42,-.8,;-3.51,.45,;-2.05,-.03,;-.72,.74,;.62,-.03,;.62,-1.57,;-.72,-2.34,;-2.05,-1.57,;1.95,-2.34,;1.95,-3.88,;3.28,-4.65,;4.62,-3.88,;5.95,-4.65,;4.62,-2.34,;3.28,-1.57,;5.95,-1.57,;5.95,-.03,;7.29,-.8,;7.29,-2.34,;-.72,2.28,;-1.96,3.19,;-1.49,4.65,;.05,4.65,;.53,3.19,;-.9,3.38,)|

CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)cn1)N1CC2CC1C2 |(-4.81,.53,;-5.21,-.96,;-6.7,-.56,;-5.83,-2.37,;-4.93,-3.61,;-3.4,-3.45,;-2.77,-2.05,;-3.68,-.8,;-2.77,.45,;-1.31,-.03,;.03,.74,;1.36,-.03,;1.36,-1.57,;.03,-2.34,;-1.31,-1.57,;2.69,-2.34,;4.03,-1.57,;5.36,-2.34,;5.36,-3.88,;6.7,-4.65,;4.03,-4.65,;2.69,-3.88,;.03,2.28,;-1.22,3.19,;-.74,4.65,;.8,4.65,;1.27,3.19,;.03,3.32,)|

CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)nc1)C1CC1

CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)nc1)N1CC2CC1C2 |(-4.81,.53,;-5.21,-.96,;-6.7,-.56,;-5.83,-2.37,;-4.93,-3.61,;-3.4,-3.45,;-2.77,-2.05,;-3.68,-.8,;-2.77,.45,;-1.31,-.03,;.03,.74,;1.36,-.03,;1.36,-1.57,;.03,-2.34,;-1.31,-1.57,;2.69,-2.34,;2.69,-3.88,;4.03,-4.65,;5.36,-3.88,;6.7,-4.65,;5.36,-2.34,;4.03,-1.57,;.03,2.28,;-1.22,3.19,;-.74,4.65,;.8,4.65,;1.27,3.19,;.03,3.32,)|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(Cl)c1)N1CC2CC1C2 |(6.82,3.22,;5.33,2.82,;6.1,1.48,;5.17,4.35,;3.77,4.98,;2.52,4.07,;2.68,2.54,;4.09,1.91,;3.93,.38,;2.42,.06,;1.65,-1.27,;.11,-1.27,;-.66,.06,;.11,1.39,;1.65,1.39,;-2.2,.06,;-2.97,-1.27,;-4.51,-1.27,;-5.28,.06,;-6.82,.06,;-4.51,1.39,;-5.28,2.73,;-2.97,1.39,;2.42,-2.61,;3.96,-2.61,;4.44,-4.07,;3.19,-4.98,;1.94,-4.07,;3.16,-3.7,)|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(Cl)c1)N1CCC(F)(F)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(F)c1)N1CC2CC1C2 |(6.82,3.22,;5.33,2.82,;6.1,1.48,;5.17,4.35,;3.77,4.98,;2.52,4.07,;2.68,2.54,;4.09,1.91,;3.93,.38,;2.42,.06,;1.65,-1.27,;.11,-1.27,;-.66,.06,;.11,1.39,;1.65,1.39,;-2.2,.06,;-2.97,-1.27,;-4.51,-1.27,;-5.28,.06,;-6.82,.06,;-4.51,1.39,;-5.28,2.73,;-2.97,1.39,;2.42,-2.61,;3.96,-2.61,;4.44,-4.07,;3.19,-4.98,;1.94,-4.07,;3.16,-3.34,)|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(F)c1)N1CCC(F)(F)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(OC(F)F)c1)C1CC1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(OC(F)F)c1)N1CC2CC1C2 |(6.82,3.01,;5.33,2.61,;6.1,1.27,;5.17,4.14,;3.77,4.77,;2.52,3.86,;2.68,2.33,;4.09,1.7,;3.93,.17,;2.42,-.15,;1.65,-1.48,;.11,-1.48,;-.66,-.15,;.11,1.18,;1.65,1.18,;-2.2,-.15,;-2.97,-1.48,;-4.51,-1.48,;-5.28,-.15,;-6.82,-.15,;-4.51,1.18,;-5.28,2.52,;-4.51,3.85,;-5.28,5.19,;-2.97,3.85,;-2.97,1.18,;2.42,-2.82,;3.96,-2.82,;4.44,-4.28,;3.19,-5.19,;1.94,-4.28,;3.16,-3.55,)|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(OCC2CC2)c1)N1CC(F)(F)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(OCC2CC2)c1)N1CCC(F)(F)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(c1)C#N)C1CC1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(c1)C(F)(F)F)N1CC2CC1C2 |(-2.82,-6.85,;-2.82,-5.31,;-1.48,-6.08,;-4.35,-5.15,;-4.98,-3.74,;-4.07,-2.49,;-2.54,-2.65,;-1.91,-4.06,;-.38,-3.9,;-.06,-2.39,;1.27,-1.62,;1.27,-.08,;-.06,.69,;-1.39,-.08,;-1.39,-1.62,;-.06,2.23,;-1.39,3,;-1.39,4.54,;-.06,5.31,;-.06,6.85,;1.27,4.54,;1.27,3,;2.61,5.31,;2.61,6.85,;3.94,4.54,;3.94,6.08,;2.61,-2.39,;2.61,-3.93,;4.07,-4.41,;4.98,-3.16,;4.07,-1.92,;3.3,-3.25,)|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(c1)C(F)(F)F)N1CCC2(COC2)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(c1)C1CC1)N1CC2CC1C2 |(6.82,3.22,;5.33,2.82,;6.1,1.48,;5.17,4.35,;3.77,4.98,;2.52,4.07,;2.68,2.54,;4.09,1.91,;3.93,.38,;2.42,.06,;1.65,-1.27,;.11,-1.27,;-.66,.06,;.11,1.39,;1.65,1.39,;-2.2,.06,;-2.97,-1.27,;-4.51,-1.27,;-5.28,.06,;-6.82,.06,;-4.51,1.39,;-2.97,1.39,;-5.28,2.73,;-5.28,4.27,;-6.61,3.5,;2.42,-2.61,;3.96,-2.61,;4.44,-4.07,;3.19,-4.98,;1.94,-4.07,;3.16,-3.34,)|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c2nc[nH]c12)C1CC1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)C1(CCC1)C#N

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)C1CC1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)C1CCC1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1C2CCC1CC2

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC(F)(F)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC(F)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2(C1)CCCO2

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2(CCC2)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2(COC2)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC(F)(F)C2C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC(F)(F)CC2C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC1C2 |(4.38,4.7,;3.29,3.61,;4.78,3.21,;2.39,4.86,;.86,4.69,;.23,3.29,;1.14,2.04,;2.67,2.2,;3.29,.8,;2.15,-.24,;2.15,-1.78,;.82,-2.55,;-.52,-1.78,;-.52,-.24,;.82,.53,;-1.85,-2.55,;-3.19,-1.78,;-4.52,-2.55,;-4.52,-4.09,;-5.85,-4.86,;-3.19,-4.86,;-1.85,-4.09,;3.48,-2.55,;4.95,-2.07,;5.85,-3.32,;4.95,-4.56,;3.48,-4.09,;4.31,-3.32,)|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC1CC2(F)F |TLB:10:22:25:28.27|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC1C[C@@H]2F |r,TLB:10:22:25:28.27,29:28:25:22.23|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC1C[C@H]2F |r,TLB:10:22:25:28.27,29:28:25:22.23|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC2C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CCC1C2

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CCOC2C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2COCC2C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCC(C1)C(F)(F)F

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCC(F)(F)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCC2(CCCO2)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCC2(CCOC2)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCC2(COC2)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCC2CC12

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCCC1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCCC11CCOC1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1C[C@H](F)[C@H](F)C1 |r|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1C[C@H]2CCC(F)(F)[C@H]2C1 |r|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2NCCc2c1)C1CC1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(C#N)c2c1)N1CCC2(COC2)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(Cl)c2c1)N1CC(C1)C#N

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(Cl)c2c1)N1CC(O)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(F)c2c1)N1CC(C1)C#N

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(c2c1)C(F)(F)F)N1CC(F)C1 |$;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(c2c1)C(F)(F)F)N1CC(O)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]ccc2c1)N1CC2CC1C2 |(6.88,3.22,;5.4,2.82,;6.17,1.48,;5.24,4.35,;3.83,4.98,;2.58,4.07,;2.74,2.54,;4.15,1.91,;3.99,.38,;2.48,.06,;1.71,-1.27,;.17,-1.27,;-.6,.06,;.17,1.39,;1.71,1.39,;-2.14,.06,;-2.91,-1.27,;-4.45,-1.27,;-5.22,.06,;-6.72,.38,;-6.88,1.91,;-5.48,2.54,;-4.45,1.39,;-2.91,1.39,;2.48,-2.61,;4.02,-2.61,;4.5,-4.07,;3.25,-4.98,;2.01,-4.07,;3.23,-3.34,)|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cnc2c1)N1CC(C1)C#N

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cnc2c1)N1CC(O)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cnc2c1)N1CC2CC1C2 |(6.17,1.48,;5.4,2.82,;6.88,3.22,;5.24,4.35,;3.83,4.98,;2.58,4.07,;2.74,2.54,;4.15,1.91,;3.99,.38,;2.48,.06,;1.71,-1.27,;.17,-1.27,;-.6,.06,;.17,1.39,;1.71,1.39,;-2.14,.06,;-2.91,1.39,;-4.45,1.39,;-5.22,.06,;-6.72,-.26,;-6.88,-1.79,;-5.48,-2.42,;-4.45,-1.27,;-2.91,-1.27,;2.48,-2.61,;4.02,-2.61,;4.5,-4.07,;3.25,-4.98,;2.01,-4.07,;3.1,-2.98,)|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cnc2c1)N1CC2CCC1C2

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2ccnn2c1)N1CC2CC1C2 |(6.88,3.22,;5.4,2.82,;6.17,1.48,;5.24,4.35,;3.83,4.98,;2.58,4.07,;2.74,2.54,;4.15,1.91,;3.99,.38,;2.48,.06,;1.71,-1.27,;.17,-1.27,;-.6,.06,;.17,1.39,;1.71,1.39,;-2.14,.06,;-2.91,1.39,;-4.45,1.39,;-5.22,.06,;-6.72,-.26,;-6.88,-1.79,;-5.48,-2.42,;-4.45,-1.27,;-2.91,-1.27,;2.48,-2.61,;4.02,-2.61,;4.5,-4.07,;3.25,-4.98,;2.01,-4.07,;3.23,-3.34,)|

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2ccnn2c1)N1CC2CCC1C2

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2ccnn2c1)N1CCC(F)(F)C1

CC1(C)OCCn2c1nc1c(nc(nc21)-c1cncc(c1)C(F)(F)F)N1CC2CC1C2 |(-3.22,-6.82,;-2.82,-5.33,;-1.48,-6.1,;-4.35,-5.17,;-4.98,-3.77,;-4.07,-2.52,;-2.54,-2.68,;-1.91,-4.09,;-.38,-3.93,;-.06,-2.42,;1.27,-1.65,;1.27,-.11,;-.06,.66,;-1.39,-.11,;-1.39,-1.65,;-.06,2.2,;-1.39,2.97,;-1.39,4.51,;-.06,5.28,;1.27,4.51,;1.27,2.97,;2.61,5.28,;2.61,6.82,;3.94,4.51,;3.94,6.05,;2.61,-2.42,;2.61,-3.96,;4.07,-4.44,;4.98,-3.19,;4.07,-1.94,;3.3,-3.28,)|

CC1(CC1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

CC1(OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC1C2)C(F)(F)F |(-2.82,-6.46,;-2.82,-4.92,;-4.35,-4.76,;-4.98,-3.35,;-4.07,-2.11,;-2.54,-2.27,;-1.91,-3.68,;-.38,-3.51,;-.06,-2.01,;1.27,-1.24,;1.27,.3,;-.06,1.07,;-1.39,.3,;-1.39,-1.24,;-.06,2.61,;1.27,3.38,;1.27,4.92,;-.06,5.69,;-.06,7.23,;-1.39,4.92,;-1.39,3.38,;2.61,-2.01,;4.07,-1.53,;4.98,-2.78,;4.07,-4.02,;2.61,-3.55,;3.57,-2.77,;-1.48,-5.69,;-.15,-4.92,;-1.48,-7.23,;-.15,-6.46,)|

CC1CC1C(=O)N1CCC(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1

CC1CCC(C)N1c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

CC1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(C)C(=O)C1

CC1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(C1)C(=O)Cn1ccnc1

CC1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(C1)C(=O)c1cn(C)cn1

CC1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(CC1)C(=O)CC#N

CC1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCNC(=O)C1

CC1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCNCC1

CC1CCN(C1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

CCC(C)Oc1cc(cnc1N)-c1nc(N2CC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1

CCC(C)Oc1cc(cnc1N)-c1nc(N2CCC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1

CCC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1

CCC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(c1)C(F)(F)F

CCC(O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(OC(F)(F)F)c1

CCC(O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(c1)C(F)(F)F

CCC1CCCN1c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

CCC1CN(CCO1)c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(C)C1

CCCN1CCN(CC1)C12CC(C1)(C2)n1cc(nc1[C@@H](O)C(C)C)-c1cnc(N)c(OC(F)(F)F)c1 |r|

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

CCN(C1CC1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

CCN(C1CCC1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

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

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

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

CCOc1cc(cnc1N)-c1nc(N2CC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1

CCOc1cc(cnc1N)-c1nc(N2CC3CC2C3)c2nc3n(CCOC3(C)C)c2n1 |(-5.28,5.19,;-4.51,3.85,;-5.28,2.52,;-4.51,1.18,;-2.97,1.18,;-2.2,-.15,;-2.97,-1.48,;-4.51,-1.48,;-5.28,-.15,;-6.82,-.15,;-.66,-.15,;.11,-1.48,;1.65,-1.48,;2.42,-2.82,;3.96,-2.82,;4.44,-4.28,;3.19,-5.19,;1.94,-4.28,;3.16,-3.55,;2.42,-.15,;3.93,.17,;4.09,1.7,;2.68,2.33,;2.52,3.86,;3.77,4.77,;5.17,4.14,;5.33,2.61,;6.82,3.01,;6.1,1.27,;1.65,1.18,;.11,1.18,)|

CCOc1cc(cnc1N)-c1nc(N2CCC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1

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

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

CCOc1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1

CC[C@@]1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC1C2 |r,wU:2.1,wD:2.2,(-2.13,-7.36,;-1.73,-5.88,;-2.82,-4.79,;-3.22,-6.28,;-4.35,-4.63,;-4.98,-3.22,;-4.07,-1.97,;-2.54,-2.14,;-1.91,-3.54,;-.38,-3.38,;-.06,-1.88,;1.27,-1.11,;1.27,.43,;-.06,1.2,;-1.39,.43,;-1.39,-1.11,;-.06,2.74,;1.27,3.51,;1.27,5.05,;-.06,5.82,;-.06,7.36,;-1.39,5.05,;-1.39,3.51,;2.61,-1.88,;4.07,-1.4,;4.98,-2.65,;4.07,-3.89,;2.61,-3.42,;3.57,-2.64,)|

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

CC[C@]1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC1C2 |r,wU:2.2,wD:2.1,(-2.13,-7.36,;-1.73,-5.88,;-2.82,-4.79,;-3.22,-6.28,;-4.35,-4.63,;-4.98,-3.22,;-4.07,-1.97,;-2.54,-2.14,;-1.91,-3.54,;-.38,-3.38,;-.06,-1.88,;1.27,-1.11,;1.27,.43,;-.06,1.2,;-1.39,.43,;-1.39,-1.11,;-.06,2.74,;1.27,3.51,;1.27,5.05,;-.06,5.82,;-.06,7.36,;-1.39,5.05,;-1.39,3.51,;2.61,-1.88,;4.07,-1.4,;4.98,-2.65,;4.07,-3.89,;2.61,-3.42,;3.57,-2.64,)|

CCc1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1

CCc1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1

CCc1n[nH]c2ncc(cc12)-c1nc(N2CC3CC2C3)c2nc3n(CCOC3(C)C)c2n1 |(-6.17,5.05,;-5.08,3.96,;-5.48,2.47,;-6.88,1.84,;-6.72,.31,;-5.22,-.01,;-4.45,-1.34,;-2.91,-1.34,;-2.14,-.01,;-2.91,1.32,;-4.45,1.32,;-.6,-.01,;.17,-1.34,;1.71,-1.34,;2.48,-2.68,;4.02,-2.68,;4.5,-4.14,;3.25,-5.05,;2.01,-4.14,;3.23,-3.41,;2.48,-.01,;3.99,.31,;4.15,1.84,;2.74,2.47,;2.58,4,;3.83,4.91,;5.24,4.28,;5.4,2.75,;6.88,3.15,;6.17,1.41,;1.71,1.32,;.17,1.32,)|

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

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

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

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

CN(C)c1nc(nc2n3CCCOCc3nc12)-c1cnc2[nH]cc(C#N)c2c1

CN(C)c1nc(nc2n3CCCOCc3nc12)-c1cnc2[nH]cc(c2c1)C(F)(F)F

CN(C1CC1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

CN(C1CCC1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

CN(CCO)c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCNC1

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

CN1CCC(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CC(C1)C#N

CN1CCC(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CC2CC1CO2

CN1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1

CN1CCCC(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CC(C1)N1CCOCC1

CN1CCCC(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CC2CCC(C1)O2

CN1CCN(C(=O)C1)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(OC(F)(F)F)c1

CN1CCN(CC1)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(OC(F)(F)F)c1

CN1CCN(CC1)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(OC(F)F)c1

CN1CCN(CC1)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(c1)C(F)(F)F

CN1CCN(CC1)C12CC(C1)(C2)n1cc(nc1CC1CC1)-c1cnc(N)c(OC(F)(F)F)c1

CN1CCN(CC1)C12CC(C1)(C2)n1cc(nc1CC1CC1)-c1cnc(N)c(OC(F)F)c1

CN1CCN(CC1)C12CC(C1)(C2)n1cc(nc1CC1CC1)-c1cnc(N)c(c1)C(F)(F)F

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

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

CN1CCN(CC1=O)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(OC(F)(F)F)c1

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

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

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

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

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

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

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

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

CNc1ncc(cn1)-c1nc(N2CC3CC2C3)c2nc3n(CCOC3(C)C)c2n1 |(1.27,7.23,;-.06,6.46,;-.06,4.92,;1.27,4.15,;1.27,2.61,;-.06,1.84,;-1.39,2.61,;-1.39,4.15,;-.06,.3,;1.27,-.47,;1.27,-2.01,;2.61,-2.78,;2.61,-4.32,;4.07,-4.79,;4.98,-3.55,;4.07,-2.3,;3.36,-3.54,;-.06,-2.78,;-.38,-4.28,;-1.91,-4.45,;-2.54,-3.04,;-4.07,-2.88,;-4.98,-4.12,;-4.35,-5.53,;-2.82,-5.69,;-2.82,-7.23,;-1.73,-6.78,;-1.39,-2.01,;-1.39,-.47,)|

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

COC1C2CCC1N(C2)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1 |THB:9:7:5.4:2,1:2:7.8:5.4|

COC1CN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1

COC1CN(C1)c1nc(nc2n3CCCOCc3nc12)-c1cnc(N)c(OC(F)F)c1

COC1CN(C1)c1nc(nc2n3CCCOCc3nc12)-c1cnc2[nH]cc(c2c1)C(F)(F)F

COC1CN(C1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)c(OC(F)F)c1

COC1CN(C1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc2[nH]cc(C#N)c2c1 |$;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;$|

COC1CN(C1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc2[nH]cnc2c1

COC1CN(C1)c1nc(nc2n3CCOCCc3nc12)-c1cnc2[nH]cc(c2c1)C(F)(F)F

COCC1CCCN1c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

COCCN(C)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(OC(F)(F)F)c1

COCCN(CCOC)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(OC(F)(F)F)c1

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

COC[C@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(CC1)C(C)=O |r|

CO[C@@H]1CC2CC1CN2c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1 |r,THB:9:8:5:2.3,1:2:5:8.7|

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

CO[C@H]1CC2CC1CN2c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1 |r,THB:9:8:5:2.3,1:2:5:8.7|

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

COc1cc(C)ccc1C(=O)N1CCCC(C1)c1cc(Nc2cc(C)ccn2)nc(C)n1

COc1cc(C)ccc1C(=O)N1CCCC(C1)c1cc(Nc2cc(C)ccn2)nc(n1)N1CCC(F)(F)C1

COc1cc(C)ccc1C(=O)N1CCCC(C1)c1cc(Nc2cc(C)ccn2)nc(n1)N1CCCC1C

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

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

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(cnc1N)-c1cc(C2CCN(CC2)C2COC2)n(n1)C(C)C

COc1cc(cnc1N)-c1nc(N2CC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1

COc1cc(cnc1N)-c1nc(N2CC3CC2C3)c2nc3n(CCOC3(C)C)c2n1 |(7.29,-2.34,;5.95,-1.57,;4.62,-2.34,;3.28,-1.57,;1.95,-2.34,;1.95,-3.88,;3.28,-4.65,;4.62,-3.88,;5.95,-4.65,;.62,-1.57,;.62,-.03,;-.72,.74,;-.72,2.28,;-1.96,3.19,;-1.49,4.65,;.05,4.65,;.53,3.19,;-.96,3.58,;-2.05,-.03,;-3.51,.45,;-4.42,-.8,;-3.51,-2.05,;-4.14,-3.45,;-5.67,-3.61,;-6.58,-2.37,;-5.95,-.96,;-5.95,.58,;-7.29,-.19,;-2.05,-1.57,;-.72,-2.34,)|

COc1cc(cnc1N)-c1nc(N2CCC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1

COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

COc1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1

COc1ccnc(Nc2cc(nc(n2)N2CCCC2C)C2CCN(C2)C(C)=O)c1

COc1ccnc(Nc2cc(nc(n2)N2CCCC2C)C2CCNCC2)c1

COc1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc2[nH]cc(c2c1)C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$|

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

CS(=O)(=O)N1CCCC(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)C1CCCC1

CS(=O)(=O)N1CCCC(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)C1CCOC1

CS(=O)(=O)N1CCN(CC1)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(OC(F)(F)F)c1

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)-c1ccc(=O)n(C)c1 |r|

C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1(CCOCC1)C#N |r|

C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(C)CC1 |r|

C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(CC1)C(C)=O |r|

C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(CC1)S(C)(=O)=O |r|

C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCNCC1 |r|

C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CN(C1)C(C)=O |r|

C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CN(C1)S(C)(=O)=O |r|

C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C2CC2)cc(n1)C1CCNCC1 |r|

C[C@@H]1CCCN1c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1 |r|

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

C[C@@H]1CC[C@@H](C)N1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCNCC1 |r|

C[C@@H]1COC(C)(C)c2nc3c(nc(nc3n12)-c1cnc(N)nc1)C1CC1 |r|

C[C@@H]1COC(C)(C)c2nc3c(nc(nc3n12)-c1cnc(N)nc1)N1CC2CC1C2 |r,wU:1.0,(-4.84,-1.16,;-4.07,-2.49,;-4.98,-3.74,;-4.35,-5.15,;-2.82,-5.31,;-2.82,-6.85,;-1.48,-6.08,;-1.91,-4.06,;-.38,-3.9,;-.06,-2.39,;1.27,-1.62,;1.27,-.08,;-.06,.69,;-1.39,-.08,;-1.39,-1.62,;-2.54,-2.65,;-.06,2.23,;1.27,3,;1.27,4.54,;-.06,5.31,;-.06,6.85,;-1.39,4.54,;-1.39,3,;2.61,-2.39,;4.07,-1.92,;4.98,-3.16,;4.07,-4.41,;2.61,-3.93,;3.57,-3.16,)|

C[C@@H]1Cn2c(nc3c(nc(nc23)-c2cnc(N)nc2)N2CC3CC2C3)C(C)(C)O1 |r,wD:1.0,(-5.75,-3.77,;-4.21,-3.77,;-3.3,-2.52,;-1.77,-2.68,;-1.14,-4.09,;.39,-3.93,;.71,-2.42,;2.04,-1.65,;2.04,-.11,;.71,.66,;-.62,-.11,;-.62,-1.65,;.71,2.2,;2.04,2.97,;2.04,4.51,;.71,5.28,;.71,6.82,;-.62,4.51,;-.62,2.97,;3.38,-2.42,;3.38,-3.96,;4.84,-4.44,;5.75,-3.19,;4.84,-1.94,;4.07,-3.28,;-2.05,-5.33,;-1.65,-6.82,;-.56,-5.73,;-3.58,-5.17,)|

C[C@@H]1OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC1C2 |r,wD:1.0,(-2.42,-6.82,;-2.82,-5.33,;-4.35,-5.17,;-4.98,-3.77,;-4.07,-2.52,;-2.54,-2.68,;-1.91,-4.09,;-.38,-3.93,;-.06,-2.42,;1.27,-1.65,;1.27,-.11,;-.06,.66,;-1.39,-.11,;-1.39,-1.65,;-.06,2.2,;1.27,2.97,;1.27,4.51,;-.06,5.28,;-.06,6.82,;-1.39,4.51,;-1.39,2.97,;2.61,-2.42,;2.61,-3.96,;4.07,-4.44,;4.98,-3.19,;4.07,-1.94,;3.49,-3.37,)|

C[C@@]1(OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)C1CC1)C1CC1 |r|

C[C@H](O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(c1)C(F)(F)F |r|

C[C@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCNCC1 |r|

C[C@H]1CCCN1c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1 |r|

C[C@H]1CC[C@@H](C)N1c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1 |r|

C[C@H]1COC(C)(C)c2nc3c(nc(nc3n12)-c1cnc(N)nc1)C1CC1 |r|

C[C@H]1COC(C)(C)c2nc3c(nc(nc3n12)-c1cnc(N)nc1)N1CC2CC1C2 |r,wD:1.0,(-4.84,-1.16,;-4.07,-2.49,;-4.98,-3.74,;-4.35,-5.15,;-2.82,-5.31,;-2.82,-6.85,;-1.48,-6.08,;-1.91,-4.06,;-.38,-3.9,;-.06,-2.39,;1.27,-1.62,;1.27,-.08,;-.06,.69,;-1.39,-.08,;-1.39,-1.62,;-2.54,-2.65,;-.06,2.23,;1.27,3,;1.27,4.54,;-.06,5.31,;-.06,6.85,;-1.39,4.54,;-1.39,3,;2.61,-2.39,;4.07,-1.92,;4.98,-3.16,;4.07,-4.41,;2.61,-3.93,;3.57,-3.16,)|

C[C@H]1Cn2c(nc3c(nc(nc23)-c2cnc(N)nc2)N2CC3CC2C3)C(C)(C)O1 |r,wU:1.0,(-5.75,-3.77,;-4.21,-3.77,;-3.3,-2.52,;-1.77,-2.68,;-1.14,-4.09,;.39,-3.93,;.71,-2.42,;2.04,-1.65,;2.04,-.11,;.71,.66,;-.62,-.11,;-.62,-1.65,;.71,2.2,;2.04,2.97,;2.04,4.51,;.71,5.28,;.71,6.82,;-.62,4.51,;-.62,2.97,;3.38,-2.42,;3.38,-3.96,;4.84,-4.44,;5.75,-3.19,;4.84,-1.94,;4.07,-3.28,;-2.05,-5.33,;-1.65,-6.82,;-.56,-5.73,;-3.58,-5.17,)|

C[C@H]1Cn2c(nc3c(nc(nc23)-c2cnc(N)nc2)N2CC3CC2C3)[C@@H](C)O1 |r,wU:1.0,25.30,(-5.75,-3.77,;-4.21,-3.77,;-3.3,-2.52,;-1.77,-2.68,;-1.14,-4.09,;.39,-3.93,;.71,-2.42,;2.04,-1.65,;2.04,-.11,;.71,.66,;-.62,-.11,;-.62,-1.65,;.71,2.2,;2.04,2.97,;2.04,4.51,;.71,5.28,;.71,6.82,;-.62,4.51,;-.62,2.97,;3.38,-2.42,;3.38,-3.96,;4.84,-4.44,;5.75,-3.19,;4.84,-1.94,;4.07,-3.28,;-2.05,-5.33,;-1.65,-6.82,;-3.58,-5.17,)|

C[C@H]1Cn2c(nc3c(nc(nc23)-c2cnc(N)nc2)N2CC3CC2C3)[C@H](C)O1 |r,wU:1.0,wD:25.30,(-5.75,-3.77,;-4.21,-3.77,;-3.3,-2.52,;-1.77,-2.68,;-1.14,-4.09,;.39,-3.93,;.71,-2.42,;2.04,-1.65,;2.04,-.11,;.71,.66,;-.62,-.11,;-.62,-1.65,;.71,2.2,;2.04,2.97,;2.04,4.51,;.71,5.28,;.71,6.82,;-.62,4.51,;-.62,2.97,;3.38,-2.42,;3.38,-3.96,;4.84,-4.44,;5.75,-3.19,;4.84,-1.94,;4.07,-3.28,;-2.05,-5.33,;-1.65,-6.82,;-3.58,-5.17,)|

C[C@H]1OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CC2CC1C2 |r,wU:1.0,(-2.42,-6.82,;-2.82,-5.33,;-4.35,-5.17,;-4.98,-3.77,;-4.07,-2.52,;-2.54,-2.68,;-1.91,-4.09,;-.38,-3.93,;-.06,-2.42,;1.27,-1.65,;1.27,-.11,;-.06,.66,;-1.39,-.11,;-1.39,-1.65,;-.06,2.2,;1.27,2.97,;1.27,4.51,;-.06,5.28,;-.06,6.82,;-1.39,4.51,;-1.39,2.97,;2.61,-2.42,;2.61,-3.96,;4.07,-4.44,;4.98,-3.19,;4.07,-1.94,;3.49,-3.37,)|

C[C@]1(OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)C1CC1)C1CC1 |r|

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

Cc1c[nH]c2ncc(cc12)-c1nc(C2CC2)c2nc3n(CCOC3(C)C)c2n1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;$|

Cc1c[nH]c2ncc(cc12)-c1nc(N2CC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|

Cc1c[nH]c2ncc(cc12)-c1nc(N2CC(F)C2)c2nc3n(CCOC3(C)C)c2n1

Cc1c[nH]c2ncc(cc12)-c1nc(N2CC(O)C2)c2nc3n(CCOC3(C)C)c2n1

Cc1c[nH]c2ncc(cc12)-c1nc(N2CC3CC2C3)c2nc3n(CCOC3(C)C)c2n1 |(-6.24,-.74,;-5.47,-2.07,;-6.37,-3.32,;-5.47,-4.56,;-4,-4.09,;-2.67,-4.86,;-1.33,-4.09,;-1.33,-2.55,;-2.67,-1.78,;-4,-2.55,;,-1.78,;1.33,-2.55,;2.67,-1.78,;4,-2.55,;5.47,-2.07,;6.37,-3.32,;5.47,-4.56,;4,-4.09,;4.83,-3.32,;2.67,-.24,;3.81,.8,;3.19,2.2,;1.65,2.04,;.75,3.29,;1.37,4.69,;2.91,4.86,;3.81,3.61,;4.9,4.7,;5.3,3.21,;1.33,.53,;,-.24,)|

Cc1c[nH]c2ncc(cc12)-c1nc(N2CC3CCC2C3)c2nc3n(CCOC3(C)C)c2n1

Cc1c[nH]c2ncc(cc12)-c1nc(N2CC3COCC3C2)c2nc3n(CCOC3(C)C)c2n1

Cc1c[nH]c2ncc(cc12)-c1nc(N2CCC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|

Cc1c[nH]c2ncc(cc12)-c1nc(N2CCC3(COC3)C2)c2nc3n(CCOC3(C)C)c2n1

Cc1cc(CN2CCCC(C2)c2cc(Nc3cc(C)ccn3)nc(C)n2)n(C)n1

Cc1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1

Cc1cc(cnc1N)-c1nc(N2CC3CC2C3)c2nc3n(CCOC3(C)C)c2n1 |(2.61,5.31,;1.27,4.54,;1.27,3,;-.06,2.23,;-1.39,3,;-1.39,4.54,;-.06,5.31,;-.06,6.85,;-.06,.69,;1.27,-.08,;1.27,-1.62,;2.61,-2.39,;2.61,-3.93,;4.07,-4.41,;4.98,-3.16,;4.07,-1.92,;3.36,-3.15,;-.06,-2.39,;-.38,-3.9,;-1.91,-4.06,;-2.54,-2.65,;-4.07,-2.49,;-4.98,-3.74,;-4.35,-5.15,;-2.82,-5.31,;-2.82,-6.85,;-1.73,-6.4,;-1.39,-1.62,;-1.39,-.08,)|

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

Cc1ccc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)nc1

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

Cc1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)Cc2ccccc2)c1

Cc1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1

Cc1ccnc(Nc2cc(nc(C)n2)C2CCCN(Cc3ccc4nccn4c3)C2)c1

Cc1ccnc(Nc2cc(nc(C)n2)C2CCCN(Cc3ccccn3)C2)c1

Cc1ccnc(Nc2cc(nc(C)n2)C2CCCN(Cc3cn4ccccc4n3)C2)c1

Cc1ccnc(Nc2cc(nc(n2)N2CCCC2)C2CCN(CC2)C(=O)c2ccccc2)c1

Cc1ccnc(Nc2cc(nc(n2)N2CCCC2)C2CCNCC2)c1

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

Cc1cnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)s1

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

Cc1n[nH]c2ncc(cc12)-c1nc(N2CC3CC2C3)c2nc3n(CCOC3(C)C)c2n1 |(-5.08,4.03,;-5.48,2.54,;-6.88,1.91,;-6.72,.38,;-5.22,.06,;-4.45,-1.27,;-2.91,-1.27,;-2.14,.06,;-2.91,1.39,;-4.45,1.39,;-.6,.06,;.17,-1.27,;1.71,-1.27,;2.48,-2.61,;4.02,-2.61,;4.5,-4.07,;3.25,-4.98,;2.01,-4.07,;3.23,-3.34,;2.48,.06,;3.99,.38,;4.15,1.91,;2.74,2.54,;2.58,4.07,;3.83,4.98,;5.24,4.35,;5.4,2.82,;6.88,3.22,;6.17,1.48,;1.71,1.39,;.17,1.39,)|

Cc1nc(Nc2cc(ccn2)C#N)cc(n1)C1CCCN(C1)C(=O)c1ccccc1

Cc1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)c1ccc(F)cc1

Cc1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)c1ccc(F)cc1Cl

Cc1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)c1ccccc1

Cc1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCCNC1

Cc1nc(Nc2cc(ccn2)C(N)=O)cc(n1)C1CCCN(C1)C(=O)c1ccccc1

Cc1nc(Nc2cc(ccn2)C2CC2)cc(n1)C1CCCN(C1)C(=O)c1ccccc1

Cc1nc(Nc2ccc(cn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)c1ccccc1

Cc1nc(Nc2ccccn2)cc(n1)C1CCCN(C1)C(=O)c1ccccc1

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

Cc1nn(C)cc1CN1CCCC(C1)c1cc(Nc2cc(C)ccn2)nc(C)n1

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

Cn1cc(cn1)-c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(CC2CCOCC2)C1

Cn1cc(cn1)-c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1

Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

Cn1nccc1-c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(CC2CCOCC2)C1

FC(F)(F)c1c[nH]c2ncc(cc12)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCOCC1

FC(F)(F)c1c[nH]c2ncc(cc12)-c1cn(c(n1)C1COC1)C12CC(C1)(C2)N1CCOCC1

FC(F)(F)c1ccnc(Nc2cc(nc(Nc3cc(ccn3)C(F)(F)F)n2)C2(CCOCC2)C#N)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)C2CC2)C2CCCN(C2)C(=O)CC#N)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)C2CCC2)C2CCCN(C2)C2COC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)C2CCCC2)C2CCCN(C2)C2COC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)C2CCOC2)C2CCNC(=O)C2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2C3CCC2COC3)C2CCOCC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CC(C2)C(=O)N2CCOCC2)C2CCOCC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CC(F)(F)C2)C2CCN(C2)C(=O)C2CCCO2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CC(F)(F)C2)C2CCN(CC3CCOCC3)C2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CC3(COC3)C2)C2CCOCC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CC3CCC(C2)O3)C2CCOCC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2(CCNCC2)C#N)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCCNC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCN(C2)C(=O)C2CC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCN(Cc3cn[nH]c3)C2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCNCC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCOCC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCCC(F)(F)C2)C2CCNC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCCC2)C2CCCNC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCCC2)C2CCN(CC2)C(=O)CC#N)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCCC2)C2CCNC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCCOCC2)C2CCOCC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCc3nc[nH]c3C2)C2CCOCC2)c1

FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCn3ccnc3C2)C2CCOCC2)c1

FC(F)C(=O)N1CCC(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CC2CCC(C1)O2

FC(F)C(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CC2CCC(C1)O2

FC(F)C(=O)N1CCCC(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1

FC1(F)CCC(C1)n1nc(Nc2cc(ccn2)C#N)cc1C1CCN(CC1)C1COC1

FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1(CCOCC1)C#N

FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1

FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCOCC1

FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CN(C1)C1COC1

FC1(F)CCN(C1)c1nc(Nc2cc(Cl)ccn2)cc(n1)C1CCN(CC1)C1COC1

FC1(F)CCN(C1)c1nc(Nc2cc(Cl)ccn2)cc(n1)C1CCNCC1

FC1(F)CCN(C1)c1nc(Nc2cc(ccn2)-c2cccs2)cc(n1)C1CCNCC1

FCCn1ccc2ncc(cc12)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCOCC1

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|

N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

N#Cc1ccnc(Nc2cc(C3CCN(C3)C3COC3)n(n2)C2CCCC2)c1

N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(CC3CCC3)n2)c1

N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1

N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCOC2)c1

N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCOCC2)c1

N#Cc1ccnc(Nc2cc(C3CCOC3)n(n2)C2CCCC2)c1

N#Cc1ccnc(Nc2cc(C3CN(C3)C3COC3)n(n2)C2CCCC2)c1

N#Cc1ccnc(Nc2cc(cc(OC3CCC3)n2)C2CCN(CC2)C2COC2)c1

N#Cc1ccnc(Nc2cc(cc(n2)C2CC2)C2CCN(CC2)C2COC2)c1

N#Cc1ccnc(Nc2cc(cc(n2)N2CCC2)C2CCN(CC2)C2COC2)c1

N#Cc1ccnc(Nc2cn(C3CCN(CC3)C3COC3)c(n2)C2CCCC2)c1

N#Cc1ccnc(Nc2nc(C3CC3)c(s2)C2CCN(CC2)C2COC2)c1

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F

Nc1ncc(cc1C(F)(F)F)-c1cn(c(CC2CC2)n1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1C(F)(F)F)-c1cn(c(CO)n1)C12CC(C1)C2

Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)C(O)C(F)(F)F)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)C(O)C1CC1)C12CC(C1)(C2)N1CCC(F)(F)CC1

Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)C(O)C1CC1)C12CC(C1)C2

Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)C(O)C1CC1)C12CC(F)(C1)C2

Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)[C@@H](O)C(F)(F)F)C12CC(C1)(C2)N1CCC(F)(F)CC1 |r|

Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)[C@@H](O)C(F)(F)F)C12CC(F)(C1)C2 |r|

Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)[C@H](O)C(F)(F)F)C12CC(C1)C2 |r|

Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)[C@H](O)C1CC1)C12CC(C1)C2 |r|

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(C=O)n1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(CC(F)(F)F)n1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(CC2CC2)n1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(CO)n1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(CO)n1)C12CC(C1)C2

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(COCc2ccccc2)n1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C(O)C(F)(F)F)C12CC(C1)C2

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C(O)C1CC1)C12CC(C1)(C2)N1CCC(F)(F)CC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C(O)C1CC1)C12CC(C1)C2

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C(O)C1CC1)C12CC(F)(C1)C2

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1(CC1)C#N)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCC(O)CC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCCCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCCOCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCN(CC(F)(F)F)CC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCN(CCF)CC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCS(=O)(=O)CC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)c1cnco1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CCC1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CCCC1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CCCO1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CCOC1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)[C@@H](O)C(F)(F)F)C12CC(C1)(C2)N1CCOCC1 |r|

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)[C@@H](O)C(F)(F)F)C12CC(C1)C2 |r|

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)[C@@H](O)C(F)(F)F)C12CC(F)(C1)C2 |r|

Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)[C@H](O)C(F)(F)F)C12CC(C1)(C2)N1CCC(F)(F)CC1 |r|

Nc1ncc(cc1OC(F)F)-c1cn(c(CC2CC2)n1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCOCC1

Nc1ncc(cc1OC(F)F)-c1nc(N2CC3CC2C3)c2nc3COCCCn3c2n1 |(-6.46,-2.72,;-5.13,-1.95,;-5.13,-.41,;-3.79,.36,;-2.46,-.41,;-2.46,-1.95,;-3.79,-2.72,;-3.79,-4.27,;-5.13,-5.04,;-6.46,-4.27,;-5.13,-6.57,;-1.13,.36,;-1.13,1.9,;.21,2.67,;.21,4.21,;-1.04,5.11,;-.56,6.57,;.98,6.57,;1.45,5.11,;-.09,5.11,;1.54,1.9,;3.01,2.37,;3.91,1.13,;5.45,1.13,;6.46,.03,;6.19,-1.48,;4.83,-2.21,;3.41,-1.61,;3.01,-.12,;1.54,.36,;.21,-.41,)|

Nc1ncc(cn1)-c1nc(C2CC2)c2nc3n(CCOC33CCC3)c2n1

Nc1ncc(cn1)-c1nc(N2CC3CC2C3)c2nc3CCOCCn3c2n1 |(-6.46,-4.03,;-5.13,-3.27,;-5.13,-1.73,;-3.79,-.96,;-2.46,-1.73,;-2.46,-3.27,;-3.79,-4.03,;-1.13,-.96,;-1.13,.59,;.21,1.36,;.21,2.9,;1.45,3.8,;.98,5.26,;-.56,5.26,;-1.04,3.8,;.45,4.2,;1.54,.59,;3,1.06,;3.91,-.18,;5.45,-.18,;6.46,-1.28,;6.19,-2.79,;4.83,-3.52,;3.41,-2.92,;3,-1.43,;1.54,-.96,;.21,-1.73,)|

Nc1ncc(cn1)-c1nc(N2CC3CC2C3)c2nc3COCCCn3c2n1 |(-6.46,-4.65,;-5.13,-3.88,;-5.13,-2.34,;-3.79,-1.57,;-2.46,-2.34,;-2.46,-3.88,;-3.79,-4.65,;-1.13,-1.57,;-1.13,-.03,;.21,.74,;.21,2.28,;-1.04,3.19,;-.56,4.65,;.98,4.65,;1.45,3.19,;.53,3.56,;1.54,-.03,;3.01,.45,;3.91,-.8,;5.45,-.8,;6.46,-1.89,;6.19,-3.41,;4.83,-4.14,;3.41,-3.53,;3.01,-2.05,;1.54,-1.57,;.21,-2.34,)|

Nc1ncc(cn1)-c1nc(N2CC3CC2C3)c2nc3[C@@H](OCCn3c2n1)C(F)(F)F |r,wD:19.31,(-.06,7.41,;-.06,5.87,;1.27,5.1,;1.27,3.56,;-.06,2.79,;-1.39,3.56,;-1.39,5.1,;-.06,1.25,;1.27,.48,;1.27,-1.06,;2.61,-1.83,;4.07,-1.35,;4.98,-2.6,;4.07,-3.85,;2.61,-3.37,;3.57,-2.59,;-.06,-1.83,;-.38,-3.34,;-1.91,-3.5,;-2.82,-4.74,;-4.35,-4.58,;-4.98,-3.18,;-4.07,-1.93,;-2.54,-2.09,;-1.39,-1.06,;-1.39,.48,;-2.05,-6.08,;-2.82,-7.41,;-.51,-6.08,;-1.28,-7.41,)|

Nc1ncc(cn1)-c1nc(N2CC3CC2C3)c2nc3[C@H](OCCn3c2n1)C(F)(F)F |r,wU:19.31,(-.06,7.41,;-.06,5.87,;1.27,5.1,;1.27,3.56,;-.06,2.79,;-1.39,3.56,;-1.39,5.1,;-.06,1.25,;1.27,.48,;1.27,-1.06,;2.61,-1.83,;4.07,-1.35,;4.98,-2.6,;4.07,-3.85,;2.61,-3.37,;3.57,-2.59,;-.06,-1.83,;-.38,-3.34,;-1.91,-3.5,;-2.82,-4.74,;-4.35,-4.58,;-4.98,-3.18,;-4.07,-1.93,;-2.54,-2.09,;-1.39,-1.06,;-1.39,.48,;-2.05,-6.08,;-2.82,-7.41,;-.51,-6.08,;-1.28,-7.41,)|

Nc1ncc(cn1)-c1nc(N2CC3CC2C3)c2nc3n(CCOC33CCC3)c2n1 |(6.7,-4.65,;5.36,-3.88,;4.03,-4.65,;2.69,-3.88,;2.69,-2.34,;4.03,-1.57,;5.36,-2.34,;1.36,-1.57,;1.36,-.03,;.03,.74,;.03,2.28,;-1.22,3.19,;-.74,4.65,;.8,4.65,;1.27,3.19,;.03,3.32,;-1.31,-.03,;-2.77,.45,;-3.68,-.8,;-2.77,-2.05,;-3.4,-3.45,;-4.93,-3.61,;-5.83,-2.37,;-5.21,-.96,;-4.81,.53,;-6.3,.93,;-6.7,-.56,;-1.31,-1.57,;.03,-2.34,)|

O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

[H][C@@]12CN(CC(C)O)C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F |r|

[H][C@@]12CN(CC(F)F)C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F |r|

[H][C@@]12CN(CC3COC3)C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F |r|

[H][C@@]12CN(CCOC)C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)F)c1)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC)c1)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F)C(C)=O |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)F)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC(C)(C)O)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC(C)C)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC(F)(F)F)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CCC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CCCC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|