463 SMILES Strings for Mitogen-activated protein kinase 11/12/13/14
Compound Name
SMILES String
Brc1ccc(cc1)-c1c[nH]c(n1)[C@@H]1Cc2ccccc2CN1 |r|
Brc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Brc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccncc1
Brc1ccccc1C(=O)c1cnc(Nc2ccccc2)s1
C1CC1c1conc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
CC(=O)Nc1cc(ncn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
CC(=O)Nc1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cc(ccn2)C(F)(F)F)ccc1C
CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(Cl)c2)ccc1C
CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(C)(C)C)ccc1C
CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(n2)C(F)(F)F)ccc1C
CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2ccccc2)ccc1C
CC(=O)Nc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
CC(C)(C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12
CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1
CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1
CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)no1
CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3c2)n(CC(=O)N2CCS(=O)(=O)CC2)n1
CC(C)(C)c1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Cl)cc1
CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
CC(C)C(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.41,-10.66,;-5.34,-10.04,;-4.27,-10.65,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
CC(C)N1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
CC(C)N1CCC(CC1)Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
CC(C)N1CCC(CC1)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(4.95,-2.62,;4.95,-1.08,;6.3,-.33,;3.62,-.31,;2.29,-1.07,;.96,-.29,;.98,1.25,;2.31,2.02,;3.64,1.24,;-.35,2.02,;-1.7,1.26,;-3.03,2.03,;-4.36,1.28,;-5.69,2.03,;-5.69,3.57,;-7.02,4.36,;-8.35,3.59,;-7.02,5.88,;-5.69,6.67,;-4.34,5.9,;-4.34,4.36,;-3.01,3.57,;-7.02,1.28,;-8.35,2.05,;-7.02,-.26,;-5.69,-1.03,;-4.36,-.26,;-3.03,-1.05,;-1.7,-.28,;-3.03,-2.57,;-4.38,-3.34,;-4.39,-4.88,;-3.06,-5.65,;-1.72,-4.88,;-1.72,-3.34,;-.39,-2.57,)|
CC(C)N1CCC(CC1)c1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(15.97,6.5,;15.96,4.96,;17.29,4.19,;14.61,4.2,;14.61,2.66,;13.28,1.91,;11.95,2.68,;11.95,4.22,;13.28,4.97,;10.62,1.91,;10.62,.37,;9.27,-.4,;9.27,-1.94,;7.92,-2.69,;7.92,-4.23,;9.25,-5.02,;10.59,-4.25,;10.59,-2.71,;11.92,-1.92,;7.94,.37,;6.61,-.4,;5.28,.39,;5.28,1.91,;3.95,2.68,;6.63,2.68,;6.63,4.22,;7.96,4.99,;9.29,4.22,;7.96,6.53,;6.63,7.32,;5.3,6.53,;5.3,4.99,;3.95,4.24,;7.96,1.91,;9.29,2.68,)|
CC(C)N1CCC(CC1)c1cc2N(C(=O)CCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl
CC(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1Cl)c1c(Cl)cccc1Cl
CC(C)N1CCC(CC1)c1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(15.97,6.5,;15.96,4.96,;17.29,4.19,;14.61,4.2,;14.61,2.66,;13.28,1.91,;11.95,2.68,;11.95,4.22,;13.28,4.97,;10.62,1.91,;9.29,2.68,;7.96,1.91,;6.63,2.68,;6.63,4.22,;7.96,4.99,;9.29,4.22,;7.96,6.53,;6.63,7.32,;5.3,6.53,;5.3,4.99,;3.95,4.24,;5.28,1.91,;3.95,2.68,;5.28,.39,;6.61,-.4,;7.94,.37,;9.27,-.4,;10.62,.37,;9.27,-1.94,;7.92,-2.69,;7.92,-4.23,;9.25,-5.02,;10.59,-4.25,;10.59,-2.71,;11.92,-1.92,)|
CC(C)N1CCN(CC1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.58,-3.96,;2.1,-5.43,;.56,-5.42,;.08,-3.96,;,-.77,;-1.33,-1.54,)|
CC(C)Nc1nc2ccc(cc2s1)-c1ocnc1-c1ccccc1F
CC(C)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1
CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
CC(Nc1cc(ccn1)-c1[nH]c(SCc2ccc(cc2)[S+](C)[O-])nc1-c1ccc(F)cc1)c1ccccc1
CC(Nc1cc(ccn1)-c1[nH]c(SCc2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1
CC1(C)CC(CC(C)(C)N1)Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
CC1(C)CC(CC(C)(C)N1)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(4.02,2.72,;4.04,1.18,;5.12,.09,;2.69,1.96,;1.38,1.19,;1.36,-.36,;2.69,-1.13,;1.35,-1.89,;4.02,-1.9,;4.02,-.36,;.03,1.96,;-1.3,1.19,;-2.63,1.96,;-3.96,1.21,;-5.29,1.96,;-5.29,3.5,;-3.94,4.27,;-2.61,3.5,;-3.94,5.83,;-5.29,6.6,;-6.62,5.81,;-6.62,4.27,;-7.95,3.52,;-6.62,1.21,;-7.97,1.98,;-6.63,-.33,;-5.3,-1.1,;-3.96,-.33,;-2.63,-1.12,;-1.3,-.35,;-2.64,-2.64,;-3.98,-3.41,;-3.99,-4.95,;-2.66,-5.72,;-1.32,-4.95,;-1.32,-3.41,;.01,-2.64,)|
CC1CN(CC(C)O1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
CCCCOc1cc(N)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
CCCCOc1cc(O)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
CCCCOc1cc(OC)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
CCCCOc1ccccc1-c1[nH]c(nc1-c1ccncc1)-c1ccc(Cl)cc1
CCCCc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Cl)cc1
CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCCCOC)n1)-c1ccc(F)cc1 |wU:10.13,6.6,wD:6.5,(26.03,-17.02,;25.26,-15.68,;23.72,-15.68,;22.96,-14.34,;21.42,-14.34,;20.64,-15.67,;20.66,-13.01,;21.42,-11.67,;19.89,-11.68,;18.37,-11.67,;17.6,-13,;18.37,-14.33,;19.89,-14.33,;16.06,-13,;15.14,-14.24,;13.68,-13.75,;13.68,-12.21,;15.15,-11.75,;12.35,-11.44,;12.35,-9.89,;11.02,-9.12,;9.69,-9.89,;9.69,-11.44,;8.35,-12.21,;7.02,-11.44,;5.68,-12.21,;4.35,-11.44,;3.02,-12.2,;1.69,-11.43,;11.02,-12.21,;12.44,-14.65,;12.59,-16.18,;11.35,-17.08,;9.94,-16.45,;8.6,-17.21,;9.79,-14.91,;11.04,-14.01,)|
CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccco2)n1)-c1ccc(F)cc1 |wU:10.13,6.6,wD:6.5,(23.17,-14.45,;22.4,-13.11,;23.18,-11.78,;22.42,-10.43,;20.88,-10.43,;20.1,-11.76,;20.11,-9.1,;20.88,-7.77,;19.35,-7.77,;17.82,-7.77,;17.04,-9.1,;17.82,-10.43,;19.33,-10.43,;15.5,-9.1,;14.59,-10.34,;13.12,-9.86,;13.13,-8.3,;14.61,-7.84,;11.8,-7.53,;11.8,-5.99,;10.45,-5.22,;9.12,-5.99,;9.12,-7.53,;7.79,-8.3,;6.46,-7.53,;5.12,-8.3,;3.72,-7.69,;2.69,-8.83,;3.46,-10.17,;4.96,-9.85,;10.45,-8.3,;11.88,-10.76,;12.04,-12.28,;10.8,-13.19,;9.38,-12.56,;8.04,-13.32,;9.22,-11.01,;10.48,-10.12,)|
CCCOc1ccc(-c2[nH]c(nc2-c2ccncc2)-c2ccc(Cl)cc2)c(OCCC)c1
CCCn1c(SC)nc(c1-c1ccnc(N)c1)-c1ccc(F)cc1
CCCn1c(SC)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
CCCn1c(SC)nc(c1-c1ccnc(NCC)c1)-c1ccc(F)cc1
CCCn1c(SC)nc(c1-c1ccncc1)-c1ccc(F)cc1
CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
CCN1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
CCNC(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
CCNC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
CCNC(=O)N[C@H]1CC[C@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-5.35,-5.41,;-5.35,-3.86,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
CCNc1cc(ccn1)-c1c(nc(SC)n1C)-c1ccc(F)cc1
CCNc1cc(ccn1)-c1c(nc(SC)n1C1CC(C)(C)NC(C)(C)C1)-c1ccc(F)cc1
CCOc1ccc(cc1Cl)-c1[nH]c2nc(N)ccc2c1-c1ccncc1
CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
CC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCCn12
CC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12
CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:9.12,5.5,wD:5.4,(23.19,-11.78,;22.43,-10.44,;23.2,-9.1,;20.89,-10.44,;20.11,-11.77,;20.12,-9.1,;20.89,-7.77,;19.36,-7.77,;17.82,-7.77,;17.05,-9.1,;17.82,-10.44,;19.34,-10.44,;15.51,-9.1,;14.6,-10.34,;13.12,-9.87,;13.14,-8.31,;14.61,-7.84,;11.81,-7.54,;11.81,-5.99,;10.46,-5.22,;9.13,-5.99,;9.13,-7.54,;7.79,-8.31,;6.46,-7.54,;5.12,-8.31,;4.36,-9.64,;3.59,-8.31,;10.46,-8.31,;11.89,-10.76,;12.04,-12.28,;10.8,-13.2,;9.38,-12.56,;8.04,-13.33,;9.22,-11.02,;10.48,-10.12,)|
CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccn2)n1)-c1ccc(F)cc1 |wU:9.12,5.5,wD:5.4,(19.11,-7.82,;18.34,-6.49,;19.11,-5.14,;16.8,-6.47,;16.03,-7.82,;16.04,-5.16,;16.8,-3.81,;15.28,-3.83,;13.74,-3.81,;12.98,-5.14,;13.74,-6.47,;15.27,-6.47,;11.44,-5.14,;10.53,-6.39,;9.06,-5.91,;9.08,-4.37,;10.55,-3.9,;7.75,-3.59,;7.75,-2.04,;6.4,-1.27,;5.07,-2.04,;5.07,-3.59,;3.74,-4.36,;2.41,-3.59,;1.07,-4.36,;-.26,-3.58,;-1.59,-4.35,;-1.6,-5.89,;-.25,-6.66,;1.08,-5.89,;6.4,-4.36,;7.82,-6.8,;6.42,-6.17,;5.16,-7.05,;5.33,-8.59,;3.97,-9.36,;6.74,-9.22,;7.98,-8.33,)|
CN(C)C(=O)c1ccc(cc1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1
CN(C)CCN1CCN(CC1)c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
CN(C)CCNc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
CN(C)Cc1ccc(cc1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1
CN(C)c1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
CN(C)c1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
CN(C)c1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
CN1C(C)(C)CC(CC1(C)C)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |(17.27,-.44,;15.94,.34,;14.59,-.43,;15.92,-1.2,;13.26,-1.19,;13.26,.35,;13.28,1.91,;14.61,2.66,;15.94,1.88,;15.94,3.42,;17.03,.79,;11.95,2.68,;10.62,1.91,;9.29,2.68,;7.96,1.91,;6.63,2.68,;6.63,4.22,;5.3,4.99,;3.95,4.24,;5.3,6.53,;6.63,7.32,;7.96,6.53,;7.96,4.99,;9.29,4.22,;5.28,1.91,;3.95,2.68,;5.28,.39,;6.61,-.4,;7.94,.37,;9.27,-.4,;10.62,.37,;9.27,-1.94,;7.92,-2.69,;7.92,-4.23,;9.25,-5.02,;10.59,-4.25,;10.59,-2.71,;11.92,-1.92,)|
CN1C2CCC1CC(C2)Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)Nc1cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c(n1)-c1ccccc1Cl |THB:9:7:1:3.4,(5,-1.84,;4,-.68,;2.5,-.29,;2.5,1.25,;3.83,2.03,;3.79,.89,;2.31,.48,;.98,1.25,;.96,-.29,;-.35,2.02,;-1.7,1.26,;-3.03,2.03,;-4.36,1.28,;-5.69,2.03,;-5.69,3.57,;-4.34,4.36,;-3.01,3.57,;-4.34,5.9,;-5.69,6.67,;-7.02,5.88,;-7.02,4.36,;-8.35,3.59,;-7.02,1.28,;-8.35,2.05,;-7.02,-.26,;-5.69,-1.03,;-4.36,-.26,;-3.03,-1.05,;-1.7,-.28,;-3.03,-2.57,;-4.38,-3.34,;-4.39,-4.88,;-3.06,-5.65,;-1.72,-4.88,;-1.72,-3.34,;-.39,-2.57,)|
CN1CCN(CC1)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:13.17,9.10,wD:9.9,(22.52,-6.15,;20.98,-6.15,;20.21,-4.81,;18.66,-4.8,;17.9,-6.13,;18.65,-7.46,;20.19,-7.48,;16.36,-6.13,;15.59,-7.46,;15.6,-4.8,;16.36,-3.46,;14.84,-3.46,;13.3,-3.46,;12.54,-4.79,;13.3,-6.12,;14.83,-6.12,;11,-4.79,;10.07,-6.03,;8.62,-5.54,;8.63,-4,;10.1,-3.53,;7.3,-3.23,;7.3,-1.68,;5.96,-.91,;4.62,-1.68,;4.62,-3.23,;3.28,-4,;1.95,-3.23,;.62,-4,;-.16,-5.33,;-.93,-4,;5.96,-4,;7.37,-6.45,;5.96,-5.8,;4.72,-6.7,;4.87,-8.25,;3.53,-9,;6.29,-8.88,;7.53,-7.97,)|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)-c2ccc3nc(NC(C)=O)cn3c2)CC1
CNC(=O)C(Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(O)nc(n1)-n1ccc2ccc(cc12)C(=O)N1CCCc2ccccc12
CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
CNC(=O)[C@H]1CCCN1Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CNc1cc2n(-c3c(F)cccc3F)c(=O)ccc2c(n1)-c1ccc(F)cc1F |(30.74,-17.07,;29.41,-16.3,;28.07,-17.06,;26.74,-16.29,;25.42,-17.05,;24.08,-16.29,;24.08,-14.75,;25.42,-13.98,;26.75,-14.74,;25.41,-12.43,;24.07,-11.66,;22.75,-12.43,;22.74,-13.98,;21.41,-14.75,;22.75,-17.05,;21.41,-16.28,;22.74,-18.59,;24.07,-19.37,;25.4,-18.59,;26.73,-19.37,;28.06,-18.61,;26.72,-20.91,;25.38,-21.66,;25.36,-23.2,;26.69,-23.98,;26.69,-25.52,;28.04,-23.21,;28.04,-21.68,;29.38,-20.91,)|
CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
CNc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
CNc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
COC(=O)[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1
COC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
COC(=O)c1sc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
COCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)[C@H]1OC[C@](C)(CO1)C(=O)NCCOC |wU:24.26,27.34,wD:27.30,(-4.2,-5.55,;-2.87,-6.32,;-1.53,-5.55,;-.2,-6.32,;1.14,-5.55,;2.48,-6.32,;3.82,-5.55,;3.82,-4,;5.15,-3.23,;6.48,-4,;6.48,-5.55,;5.15,-6.32,;7.81,-6.33,;9.28,-5.85,;10.2,-7.11,;9.28,-8.35,;7.81,-7.87,;6.57,-8.77,;6.71,-10.29,;5.48,-11.2,;4.07,-10.57,;2.72,-11.33,;3.91,-9.03,;5.16,-8.13,;11.74,-7.11,;12.5,-5.78,;14.03,-5.78,;14.8,-7.11,;15.56,-8.44,;14.03,-8.44,;12.5,-8.44,;15.56,-5.78,;14.78,-4.45,;17.1,-5.76,;17.86,-4.42,;19.4,-4.4,;20.73,-3.61,;22.07,-4.35,)|
COCCCNc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12
COCCN(Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)[C@@H](C)C(N)=O
COCCN1CC(C1)(N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
COCCNC(=O)[C@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC=C)n1)-c1ccc(F)cc1 |wU:11.14,7.6,wD:7.7,(23.55,-.85,;22.21,-.1,;20.89,-.9,;19.34,-.91,;18.59,-2.25,;17.05,-2.27,;16.26,-.94,;16.29,-3.6,;17.05,-4.94,;15.51,-2.27,;13.99,-2.27,;13.23,-3.6,;13.99,-4.93,;15.51,-4.94,;11.68,-3.6,;10.77,-4.84,;9.3,-4.37,;9.3,-2.83,;10.77,-2.34,;7.97,-2.04,;7.97,-.5,;6.64,.27,;5.31,-.5,;5.31,-2.04,;3.97,-2.81,;2.64,-2.04,;1.29,-2.81,;-.04,-2.04,;6.64,-2.81,;8.06,-5.26,;8.21,-6.78,;6.97,-7.69,;5.56,-7.06,;4.21,-7.82,;5.4,-5.52,;6.66,-4.62,)|
COCC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
COC[C@H](C)Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1 |r|
COC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCCn12
COC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12
COC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
CO[C@@H]1C[C@@H](N(Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1)C(N)=O
COc1c(C(=O)\C=C\c2ccc(C)o2)c(O)c(Br)c2occc12
COc1c(c(O)c(Br)c2occc12)-c1cc(-c2ccc(C)o2)c(C#N)c(N)n1
COc1c2ccoc2c(OC)c2oc(C)c(-c3cc(-c4ccc(F)cc4)c(C#N)c(=N)[nH]3)c(=O)c12
COc1c2ccoc2c(OC)c2oc(C)c(-c3cc([nH]c(=S)n3)-c3ccc(F)cc3)c(=O)c12
COc1c2ccoc2c(OC)c2oc(C)c(C3=CC(NO3)c3ccc(F)cc3)c(=O)c12 |t:17|
COc1c2ccoc2cc2oc(C)c(-c3cc(-c4ccc(F)cc4)c(C#N)c(=N)[nH]3)c(=O)c12
COc1c2ccoc2cc2oc(C)c(-c3cc(-c4ccc(F)cc4)c(C#N)c(=O)[nH]3)c(=O)c12
COc1c2occc2c(OC)c2c1oc(C)c(C1=NN(C(C1)c1ccc(F)cc1)c1ccccc1)c2=O |t:19|
COc1cc(N)[nH]c2nc(c(-c3ccncc3)c12)-c1ccc(F)cc1
COc1cc(N)nc2[nH]c(c(-c3ccncc3)c12)-c1ccc(F)cc1
COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(C)c3)cn2)cc(OC)c1OC
COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cc(OC)c1OC
COc1cc(NC(=O)c2cccc(c2)-n2ncc3cc(Nc4ccccc4F)ccc23)cc(OC)c1OC
COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)|
COc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1
COc1cc(ncn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@H]1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C(C)C)[C@@H](C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(C)CC1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(CC1)C(C)C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C)C1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C1)C(C)C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)CC(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CN(C)C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CO)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(=O)N(C)C
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(CCN(C)C)[C@@H](C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC(C1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC1
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC[C@@H]1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(=O)N(C)C
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1CC(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCN(C)CC1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC[C@@H](C1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN[C@H](C)C(N)=O
COc1ccc(CNc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)cc1
COc1ccc(CNc2cc(ccn2)-c2[nH]c(SCc3ccccc3)nc2-c2ccc(F)cc2)cc1
COc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)cc1
COc1ccc(c(OC)c1)-n1c2ncnc(-c3ccccc3C)c2[nH]c1=O |(2.42,-37.95,;1.39,-36.8,;1.86,-35.33,;.83,-34.19,;1.3,-32.72,;2.81,-32.4,;3.84,-33.54,;5.34,-33.22,;6.37,-34.36,;3.37,-35.01,;3.29,-30.95,;4.76,-30.47,;6.09,-31.24,;7.43,-30.47,;7.42,-28.92,;6.09,-28.15,;6.08,-26.61,;4.75,-25.86,;4.74,-24.32,;6.07,-23.54,;7.41,-24.31,;7.41,-25.85,;8.75,-26.62,;4.75,-28.92,;3.28,-28.45,;2.38,-29.7,;.84,-29.71,)|
COc1ccc(cc1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1
COc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
COc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1c(nc(SC)n1C)-c1ccc(F)cc1
COc1ccc(cc1OC)-c1cc([nH]c(=N)c1C#N)-c1c(C)oc2c(OC)c3occc3c(OC)c2c1=O
COc1ccc(cc1OC)-c1cc([nH]c(=N)c1C#N)-c1c(C)oc2cc3occc3c(OC)c2c1=O
COc1ccc(cc1OC)-c1cc(nc(=S)[nH]1)-c1c(C)oc2c(OC)c3occc3c(OC)c2c1=O
COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1c(C)oc2c(OC)c3occc3c(OC)c2c1=O |c:13|
COc1ccc(cc1OC)C1NOC(=C1)c1c(C)oc2c(OC)c3occc3c(OC)c2c1=O |c:14|
COc1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccncc1
COc1ccc2c(c([nH]c2c1)-c1ccc(I)cc1)-c1ccncc1
COc1ccc2c(c([nH]c2c1)-c1cccc(Cl)c1)-c1ccncc1
COc1ccc2c(c([nH]c2c1)-c1cccc(F)c1)-c1ccncc1
COc1ccc2c(c([nH]c2c1)-c1cccc(I)c1)-c1ccncc1
COc1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
COc1cccc(COc2cc(N)nc3[nH]c(c(-c4ccncc4)c23)-c2ccc(F)cc2)c1
COc1cccc(c1)C(=O)c1cnc(Nc2ccccc2)s1
COc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1
COc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
COc1nccc(n1)-c1c(ncn1[C@@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |r,wU:13.14,16.18,(16.1,-24.8,;17.43,-25.58,;18.76,-24.81,;18.76,-23.26,;20.09,-22.49,;21.43,-23.26,;21.43,-24.81,;20.1,-25.58,;22.77,-25.57,;22.93,-27.1,;24.44,-27.42,;25.21,-26.08,;24.18,-24.94,;24.49,-23.44,;25.96,-22.96,;26.28,-21.46,;25.14,-20.43,;25.46,-18.92,;23.67,-20.9,;23.35,-22.41,;21.79,-28.13,;20.33,-27.66,;19.18,-28.69,;19.51,-30.19,;18.36,-31.23,;20.98,-30.67,;22.12,-29.63,)|
CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
CS(=O)(=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)c(n2)-c2ccncc2)cc1
CS(=O)(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CS(=O)c1ccc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)cc1
CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CS(=O)c1cccc(CSc2nc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)c1
CS(=O)c1ccccc1CSc1ncc(-c2ccc(F)cc2)c(n1)-c1ccncc1
CS(O)(=O)=O.C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |r,wU:9.11,6.4,wD:6.32,(-4.22,-11.83,;-2.87,-11.07,;-2.89,-12.61,;-1.33,-11.07,;-2.89,-9.53,;17.16,-13,;16.4,-14.35,;15.64,-13.02,;14.1,-13,;13.35,-14.33,;14.1,-15.66,;15.63,-15.66,;11.81,-14.33,;10.88,-15.59,;9.43,-15.1,;9.43,-13.56,;10.9,-13.09,;8.1,-12.79,;6.77,-13.56,;5.44,-12.79,;5.44,-11.25,;6.77,-10.46,;8.1,-11.23,;8.17,-15.99,;8.34,-17.52,;7.1,-18.42,;5.68,-17.79,;4.35,-18.56,;5.53,-16.25,;6.77,-15.36,;17.16,-15.68,;16.39,-17.01,;18.7,-15.68,;19.46,-14.35,;21.01,-14.36,;21.77,-15.7,;20.98,-17.03,;19.44,-17.02,)|
CSc1ccc(CSc2ncc(-c3ccc(F)cc3)c(n2)-c2ccncc2)cc1
CSc1ccc(cc1)-c1nc(c(-c2ccc(F)cc2)n1C)-c1ccncc1
CSc1ccc(cc1)-c1nc(c(-c2ccncc2)n1C)-c1ccc(F)cc1
CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CSc1ccc(cc1)-c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1
CSc1nc(N)cc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
CSc1nc(c(-c2ccc(F)cc2)n1C)-c1ccnc(NC(C)c2ccccc2)c1
CSc1nc(c(-c2ccc(F)cc2)n1C)-c1ccnc(O)c1
CSc1nc(c(-c2ccnc(N)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C1CC(C)(C)NC(C)(C)C1)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(NC(C)c3ccccc3)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(NCc3ccccc3)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccncc2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccncc2)n1C1CC(C)(C)NC(C)(C)C1)-c1ccc(F)cc1
CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(Cl)c1
CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(F)c1
CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)c2ccccc2)c1
CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)c1
CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@@H](C)c2ccccc2)c1
CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@H](C)c2ccccc2)c1
CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CSc1nc(c([nH]1)-c1ccnc(NCCc2ccccc2)c1)-c1ccc(F)cc1
CSc1nc(c([nH]1)-c1ccnc(NCc2ccc(C)cc2)c1)-c1ccc(F)cc1
CSc1nc(c([nH]1)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)c1)-c1ccc(F)cc1
CSc1nc(c([nH]1)-c1ccnc(NCc2ccc(Cl)cc2)c1)-c1ccc(F)cc1
CSc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1
CSc1nc(c([nH]1)-c1ccnc(O)c1)-c1ccc(F)cc1
CSc1nc(c([nH]1)-c1ccnc(OC(C)C)c1)-c1ccc(F)cc1
CSc1nc(c([nH]1)-c1ccnc(c1)N(C)Cc1ccccc1)-c1ccc(F)cc1
CSc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1
CSc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
C[C@@H](Cn1ncnn1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r|
C[C@@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1
C[C@@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
C[C@@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C |r|
C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |wU:4.7,1.0,wD:1.36,(10.99,1.09,;10.19,-.24,;9.3,1.03,;7.76,.9,;7.1,-.5,;7.99,-1.76,;9.53,-1.65,;5.58,-.63,;4.85,-1.97,;3.33,-1.72,;3.12,-.17,;4.5,.49,;1.79,.59,;1.79,2.15,;.43,2.92,;-.9,2.13,;-.9,.59,;-2.24,-.21,;-3.6,.55,;-3.62,2.08,;-4.95,2.83,;-6.29,2.04,;-6.26,.51,;-4.91,-.24,;.43,-.17,;2.28,-2.84,;2.72,-4.31,;1.65,-5.43,;.17,-5.08,;-.88,-6.21,;-.27,-3.61,;.78,-2.49,;11.5,-1.04,;11.48,-2.61,;12.86,-.29,;14.19,-1.08,;15.53,-.31,;15.55,1.24,;14.22,2.03,;12.88,1.26,)|
C[C@H](Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCCn12)C(C)(C)O
C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCCn12)c1ccccc1
C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)C(C)(C)O
C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)C1CCCCC1
C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccc(C)cc1
C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1
C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N(C)C)c1ccccc1
C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N(C)CCN(C)C)c1ccccc1
C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCC(C)CC1)c1ccccc1
C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCCCC1)c1ccccc1
C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCN(C)CC1)c1ccccc1
C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCNCC1)c1ccccc1
C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCOCC1)c1ccccc1
C[C@H](Nc1nccc(n1)-c1nc(C2CCNCC2)n(C)c1-c1cccc(c1)C(F)(F)F)c1ccccc1
C[C@H]1CN(C)CCN1c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(c1)-c1ccc2nc(NC(C)=O)cn2c1 |r|
C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
C[S+]([O-])c1ccc(CSc2nc(O)c(-c3ccc(F)cc3)c(n2)-c2ccncc2)cc1
C[S+]([O-])c1ccc(CSc2nc(c([nH]2)-c2ccnc(Cl)c2)-c2ccc(F)cc2)cc1
C[S+]([O-])c1ccc(CSc2nc(c([nH]2)-c2ccnc(F)c2)-c2ccc(F)cc2)cc1
C[S+]([O-])c1ccc(CSc2nc(c([nH]2)-c2ccnc(NCc3ccccc3)c2)-c2ccc(F)cc2)cc1
C[S+]([O-])c1ccc(CSc2ncc(-c3ccc(F)cc3)c(n2)-c2cccnc2)cc1
C[S+]([O-])c1ccc(CSc2ncc(-c3ccc(F)cc3)c(n2)-c2ccncc2)cc1
C[S+]([O-])c1ccc(CSc2ncc(-c3ccncc3)c(n2)-c2ccc(F)cc2)cc1
C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
C[S+]([O-])c1cccc(CSc2ncc(-c3ccc(F)cc3)c(n2)-c2ccncc2)c1
C[S+]([O-])c1ccccc1CSc1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
C[S+]([O-])c1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Cc1c(cnn1-c1ncccc1C(F)(F)F)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1
Cc1cc(Cl)ccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(14.12,-7.65,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;16.76,-12.29,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,)|
Cc1cc(cc(C)n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Cc1cc(ccc1F)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2cc[n+]([O-])c(C)c2)c1
Cc1cc(ccc1F)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2ccc(C)[n+]([O-])c2)c1
Cc1cc(ccc1F)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2cccc(Cl)c2)c1
Cc1cc(ccc1F)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2cccc(F)c2)c1
Cc1cc(ccc1F)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Cc1cc(ccc1F)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2ccccc2)c1
Cc1cc(ccc1F)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2ccccn2)c1
Cc1cc(ccc1F)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2cccnc2)c1
Cc1cc(ccc1F)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2ccncc2)c1
Cc1cc(ccn1)-c1[nH]c(nc1-c1ccc(F)cc1)-c1ccc(Cl)cc1
Cc1cc(ccn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Cc1cc(ccn1)C(=O)Nc1cc(ccn1)-c1c(nc2cccnn12)-c1ccc(F)c(C)c1
Cc1cc(nc(N)n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Cc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(C)c1 |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;14.12,-7.65,;15.44,-9.96,)|
Cc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1 |(16.76,-12.29,;15.44,-11.5,;15.44,-9.96,;14.12,-9.19,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;12.77,-11.5,;14.1,-12.27,)|
Cc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1C |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;15.44,-9.96,;16.78,-9.19,)|
Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccncc2)cs1)C(C)(C)C
Cc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1c(nc2cccnn12)-c1ccc(F)c(C)c1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(CO)cc1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(F)cc1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(N)cc1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(O)cc1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(cc1)C#N)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(cc1)C(=O)N1CCCCC1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1cccc(Cl)c1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccccc1Cl)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccccn1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1cccnc1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccncc1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1cncc(F)c1)C(=O)NC1CC1
Cc1ccc(cc1NC(=O)c1ccc(s1)-c1cnccc1N1CCOCC1)C(=O)NC1CC1
Cc1ccc(cn1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1
Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
Cc1ccc(cn1)C(=O)Nc1cc(ccn1)-c1c(nc2cccnn12)-c1ccc(F)c(C)c1
Cc1cccc(C)c1-n1c2ncnc(-c3ccccc3Cl)c2[nH]c1=O |(6.98,-3.33,;5.47,-3.65,;5,-5.12,;3.49,-5.44,;2.46,-4.3,;2.93,-2.83,;1.9,-1.69,;4.44,-2.51,;4.92,-1.06,;6.39,-.58,;7.72,-1.35,;9.06,-.58,;9.05,.97,;7.72,1.74,;7.72,3.28,;6.38,4.03,;6.37,5.57,;7.71,6.35,;9.04,5.58,;9.05,4.04,;10.38,3.27,;6.39,.97,;4.92,1.44,;4.01,.19,;2.47,.18,)|
Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1
Cc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1 |(16.78,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,)|
Cc1cccc(c1)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2ccccc2)c1
Cc1cccc(c1)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2ccccc2)n1
Cc1cccc(c1)C(=O)Nc1cc(ccn1)-c1c(nc2cccnn12)-c1ccc(F)c(C)c1
Cc1ccccc1-c1ncnc2n(-c3c(C)cccc3C)c(=O)[nH]c12 |(10.47,-11.23,;9.14,-10.46,;9.14,-8.93,;7.8,-8.16,;6.46,-8.94,;6.47,-10.48,;7.81,-11.23,;7.81,-12.77,;9.15,-13.53,;9.15,-15.08,;7.82,-15.86,;6.48,-15.09,;5.01,-15.56,;4.54,-17.02,;5.57,-18.16,;7.07,-17.83,;5.1,-19.62,;3.58,-19.95,;2.55,-18.8,;3.03,-17.34,;2,-16.19,;4.11,-14.32,;2.57,-14.32,;5.01,-13.07,;6.48,-13.54,)|
Cc1ccccc1-c1ncnc2n(-c3c(C)cccc3C)c(=S)[nH]c12 |(-.96,-41.54,;-2.29,-40.77,;-2.3,-39.24,;-3.63,-38.47,;-4.97,-39.25,;-4.96,-40.79,;-3.62,-41.54,;-3.62,-43.08,;-2.29,-43.84,;-2.28,-45.39,;-3.62,-46.17,;-4.95,-45.4,;-6.42,-45.87,;-6.9,-47.33,;-5.87,-48.47,;-4.36,-48.14,;-6.34,-49.93,;-7.85,-50.26,;-8.88,-49.11,;-8.41,-47.65,;-9.44,-46.5,;-7.33,-44.63,;-8.87,-44.63,;-6.42,-43.38,;-4.95,-43.85,)|
Cc1ccccc1-c1ncnc2n(-c3c(F)cccc3F)c(=O)[nH]c12 |(21.86,-11.5,;20.53,-10.73,;20.52,-9.19,;19.19,-8.42,;17.85,-9.2,;17.86,-10.74,;19.2,-11.49,;19.2,-13.03,;20.53,-13.8,;20.54,-15.35,;19.2,-16.12,;17.87,-15.35,;16.4,-15.83,;15.92,-17.28,;16.95,-18.42,;18.46,-18.1,;16.48,-19.89,;14.97,-20.21,;13.94,-19.07,;14.41,-17.6,;13.38,-16.46,;15.49,-14.58,;13.95,-14.59,;16.4,-13.33,;17.87,-13.8,)|
Cc1ccccc1-c1ncnc2n(-c3ccc(F)cc3F)c(=O)[nH]c12 |(-1.84,-27.32,;-3.17,-26.55,;-3.18,-25.01,;-4.51,-24.24,;-5.85,-25.03,;-5.84,-26.56,;-4.5,-27.32,;-4.5,-28.86,;-3.16,-29.62,;-3.16,-31.17,;-4.5,-31.94,;-5.83,-31.17,;-7.3,-31.65,;-7.78,-33.11,;-9.28,-33.43,;-9.76,-34.89,;-8.73,-36.04,;-9.2,-37.5,;-7.22,-35.71,;-6.75,-34.25,;-5.24,-33.92,;-8.21,-30.41,;-9.75,-30.41,;-7.3,-29.15,;-5.83,-29.63,)|
Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1Cl
Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1F
Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl
Cc1ccccc1C(=O)Nc1cc(ccn1)-c1c(nc2cccnn12)-c1ccc(F)c(C)c1
Cc1ccccc1C(=O)c1cnc(Nc2ccccc2)s1
Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1Cl |c:9|
Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1F |c:9|
Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1cccc(Cl)c1Cl |c:9|
Cc1ccccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(14.12,-7.65,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.47,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,)|
Cc1cnccc1-c1nc([nH]c1-c1ccc(F)cc1)-c1ccc(Cl)cc1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nc(c(o1)-c1ccncc1)-c1ccccc1
Cc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2c(C)n[nH]c2C)cc1 |(19.63,-50.34,;18.1,-50.18,;17.33,-48.85,;15.83,-49.17,;15.67,-50.7,;17.07,-51.33,;14.34,-51.48,;13,-50.71,;11.67,-51.48,;11.67,-53.03,;10.34,-53.8,;9,-53.02,;9.01,-51.48,;7.68,-50.71,;6.34,-51.48,;6.35,-53.03,;7.68,-53.79,;7.69,-49.18,;8.94,-48.27,;8.46,-46.81,;6.92,-46.81,;6.44,-48.27,;4.93,-48.51,;4.22,-49.88,;4.91,-51.25,;2.7,-49.64,;2.46,-48.12,;3.83,-47.42,;4.07,-45.9,;13,-53.8,;14.34,-53.03,)|
Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cc[nH]n2)cc1
Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cn[nH]c2)cc1
Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cn[nH]c2C)cc1
Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cnn(C)c2)cc1
Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2C)cc1
Cc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Cl.Cl.C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1 |r|
Clc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)cc1
Clc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1Cl |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;15.44,-9.96,;16.78,-9.19,)|
Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(Cl)cc1)-c1ccncc1
Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(I)cc1)-c1ccncc1
Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(Oc2ccccc2)cc1)-c1ccncc1
Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(cc1)-c1ccccc1)-c1ccncc1
Clc1ccc(cc1)-c1nc(c([nH]1)-c1cccc(Oc2ccccc2)c1)-c1ccncc1
Clc1ccc(cc1)-c1nc(c([nH]1)-c1cccc(c1)-c1ccccc1)-c1ccncc1
Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1Oc1ccccc1)-c1ccncc1
Clc1ccc(cc1)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2ccccc2)c1
Clc1cccc(Cl)c1-c1c2ccc(Sc3ccccc3)nn2cnc1=O |(8.77,-13.77,;7.45,-14.54,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;6.11,-13.77,;6.11,-12.23,;7.45,-11.46,;8.77,-12.23,;10.11,-11.49,;10.12,-9.95,;11.45,-9.18,;12.78,-9.96,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;8.79,-9.15,;7.45,-9.92,;6.11,-9.15,;4.79,-9.92,;4.79,-11.46,;3.46,-12.23,)|
Clc1cccc(Cl)c1-c1c2ccc(Sc3ccccc3Br)nn2cnc1=O |(8.77,-13.77,;7.45,-14.54,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;6.11,-13.77,;6.11,-12.23,;7.45,-11.46,;8.77,-12.23,;10.11,-11.49,;10.12,-9.95,;11.45,-9.18,;12.78,-9.96,;12.77,-11.5,;14.1,-12.27,;15.44,-11.5,;15.44,-9.96,;14.12,-9.19,;14.12,-7.65,;8.79,-9.15,;7.45,-9.92,;6.11,-9.15,;4.79,-9.92,;4.79,-11.46,;3.46,-12.23,)|
Clc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1 |(16.78,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,)|
Clc1cccc(c1)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2ccccc2)c1
Clc1ccccc1-c1cc(NC2CCNCC2)cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
Clc1ccccc1-c1nc(NC2CCNCC2)cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |(10.11,-3.62,;8.78,-4.39,;8.78,-5.93,;7.43,-6.7,;6.1,-5.93,;6.11,-4.39,;7.45,-3.62,;7.47,-2.1,;8.8,-1.33,;8.8,.21,;10.13,.97,;11.46,.2,;12.79,.97,;14.12,.19,;14.12,-1.36,;12.79,-2.12,;11.46,-1.34,;7.47,.98,;6.14,.23,;4.81,.98,;4.81,2.52,;6.14,3.29,;7.47,2.52,;6.14,4.85,;4.81,5.62,;3.48,4.83,;3.48,3.29,;2.15,2.54,;3.48,.23,;2.13,1,;3.46,-1.31,;4.79,-2.08,;6.14,-1.31,)|
Clc1ccccc1C(=O)c1cnc(Nc2ccc(Br)cc2)s1
Clc1ccccc1C(=O)c1cnc(Nc2cccc(NC(=O)c3ccccc3)c2)s1
Clc1ccccc1C(=O)c1cnc(Nc2ccccc2)s1
Cn1cc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)cn1
Cn1cc(cn1)-c1conc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1c(NC(=O)c2ccccc2)cccc1Nc1ncc(s1)C(=O)c1ccccc1Cl
Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1
Fc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)n1)N1CCOCC1
Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(Cl)c1 |(2.33,-8.2,;3.67,-7.43,;3.51,-5.89,;4.77,-5,;6.17,-5.63,;7.4,-4.74,;8.87,-5.23,;9.78,-3.99,;11.32,-3.83,;11.95,-2.43,;11.04,-1.17,;9.52,-1.34,;8.89,-2.73,;7.42,-3.2,;6.1,-2.41,;4.76,-3.18,;3.43,-2.41,;3.44,-.87,;2.11,-.1,;4.77,-.12,;6.1,-.87,;4.77,1.42,;6.1,2.19,;7.44,1.42,;6.1,3.75,;4.77,4.52,;3.44,3.73,;3.44,2.19,;2.1,1.42,;6.32,-7.16,;7.73,-7.79,;5.09,-8.06,)|
Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(F)c1 |(2.09,-8.15,;3.43,-7.39,;3.28,-5.85,;4.53,-4.95,;5.93,-5.59,;7.18,-4.69,;8.64,-5.17,;9.55,-3.93,;11.08,-3.78,;11.71,-2.38,;10.81,-1.13,;9.28,-1.28,;8.65,-2.67,;7.18,-3.15,;5.86,-2.37,;4.51,-3.14,;3.18,-2.36,;3.2,-.83,;1.87,-.05,;4.53,-.05,;5.87,-.82,;4.53,1.49,;5.87,2.26,;7.2,1.49,;5.87,3.8,;4.53,4.57,;3.2,3.8,;3.2,2.26,;1.85,1.49,;6.08,-7.11,;7.5,-7.74,;4.84,-8.02,)|
Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2ccccc2Cl)c(Cl)c1
Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(Cl)c1 |t:16|
Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16|
Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2ccccc2Cl)c(Cl)c1 |t:16|
Fc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)c(F)c1
Fc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)cc1
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(Cl)c1 |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;14.12,-7.65,;15.44,-9.96,)|
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1 |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;15.44,-9.96,)|
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1Cl |(16.76,-12.29,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,;15.44,-9.96,;16.78,-9.19,)|
Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3)c2c(Cl)cccc2Cl)c(F)c1
Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3C2CC2)c2c(Cl)cccc2Cl)c(F)c1
Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3CC2CC2)c2c(Cl)cccc2Cl)c(F)c1
Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CCC2C3)c2c(Cl)cccc2Cl)c(F)c1
Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCC(CCN3CCCC3)CC2)c2c(Cl)cccc2Cl)c(F)c1
Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCCCC2)c2c(Cl)cccc2Cl)c(F)c1
Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCN(CCN3CCCC3)CC2)c2c(Cl)cccc2Cl)c(F)c1
Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CCOCC2)c2c(Cl)cccc2Cl)c(F)c1
Fc1ccc(Sc2nc3CNC(=O)N(c3cc2NC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
Fc1ccc(Sc2nc3CNC(=O)N(c3cc2OC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1
Fc1ccc(c(F)c1)-c1nccc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12 |(-3.59,-7.74,;-3.58,-6.2,;-4.91,-5.42,;-4.9,-3.88,;-3.55,-3.12,;-2.23,-3.89,;-.89,-3.13,;-2.23,-5.43,;-3.54,-1.58,;-2.21,-.82,;-2.2,.72,;-3.53,1.49,;-4.86,.73,;-6.19,1.5,;-6.19,3.04,;-7.53,3.81,;-8.86,3.04,;-7.53,5.35,;-6.2,6.12,;-4.86,5.36,;-4.86,3.81,;-3.52,3.04,;-7.53,.73,;-8.86,1.5,;-7.53,-.8,;-6.2,-1.58,;-4.87,-.81,)|
Fc1ccc(c(F)c1)-c1nccc2n(-c3c(F)cccc3F)c(=O)ccc12 |(14.89,-7.32,;14.9,-5.78,;13.57,-5,;13.58,-3.46,;14.92,-2.7,;16.25,-3.47,;17.59,-2.71,;16.24,-5.01,;14.93,-1.16,;16.27,-.4,;16.28,1.14,;14.95,1.91,;13.62,1.15,;12.28,1.92,;12.28,3.46,;13.62,4.23,;14.96,3.46,;13.62,5.78,;12.28,6.54,;10.95,5.77,;10.95,4.23,;9.62,3.46,;10.95,1.15,;9.62,1.92,;10.95,-.38,;12.28,-1.16,;13.61,-.39,)|
Fc1ccc(c(F)c1)-c1nccc2n(-c3ccccc3Cl)c(=O)ccc12 |(6.09,-7.61,;6.1,-6.07,;4.77,-5.29,;4.78,-3.75,;6.12,-3,;7.45,-3.77,;8.79,-3,;7.45,-5.3,;6.14,-1.46,;7.47,-.7,;7.48,.85,;6.15,1.62,;4.82,.86,;3.49,1.62,;3.49,3.16,;4.82,3.93,;4.82,5.48,;3.48,6.25,;2.15,5.48,;2.15,3.93,;.82,3.16,;2.15,.86,;.82,1.63,;2.15,-.68,;3.48,-1.46,;4.81,-.68,)|
Fc1ccc(c(F)c1)-n1c2ncnc(-c3ccccc3Cl)c2[nH]c1=O |(13.53,-7.07,;14,-5.61,;12.97,-4.46,;13.44,-3,;14.95,-2.68,;15.98,-3.82,;17.49,-3.49,;15.51,-5.28,;15.43,-1.22,;16.9,-.74,;18.23,-1.51,;19.57,-.74,;19.56,.81,;18.23,1.57,;18.22,3.11,;16.89,3.87,;16.88,5.4,;18.21,6.18,;19.55,5.42,;19.55,3.88,;20.89,3.11,;16.9,.8,;15.42,1.28,;14.52,.02,;12.98,.02,)|
Fc1ccc(cc1)-c1[nH]c(CCc2ccccc2)nc1-c1ccncc1
Fc1ccc(cc1)-c1[nH]c(SCc2ccccc2)nc1-c1ccnc(Cl)c1
Fc1ccc(cc1)-c1[nH]c(SCc2ccccc2)nc1-c1ccnc(F)c1
Fc1ccc(cc1)-c1[nH]c(SCc2ccccc2)nc1-c1ccnc(NCc2ccccc2)c1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1cc(Br)cs1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Br)cc1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Br)o1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Br)s1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Cl)cc1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(I)cc1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)-c1ccccc1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)C#N
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1cccc(Br)c1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1cccc2ccccc12
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1Br
Fc1ccc(cc1)-c1[nH]c2ccc3[nH]c(Cc4ccccc4)nc3c2c1-c1ccncc1
Fc1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccncc1
Fc1ccc(cc1)-c1[nH]c2nc(NCc3ccccc3)ccc2c1-c1ccncc1
Fc1ccc(cc1)-c1[nH]c2ncccc2c1-c1ccncc1
Fc1ccc(cc1)-c1c(-c2ccnc(NC3CC3)n2)n2CCCn2c1=O
Fc1ccc(cc1)-c1c(-c2ccnc(NCC3CC3)n2)n2CCCn2c1=O
Fc1ccc(cc1)-c1c(-c2ccnc(NCC=C)n2)n2CCCn2c1=O
Fc1ccc(cc1)-c1c(-c2ccnc(NCc3ccccc3)n2)n2CCCn2c1=O
Fc1ccc(cc1)-c1c(-c2ccnc(NCc3ccccn3)n2)n2CCCn2c1=O
Fc1ccc(cc1)-c1c(-c2ccnc(NCc3cccnc3)n2)n2CCCn2c1=O
Fc1ccc(cc1)-c1c(-c2ccnc(Nc3c(Cl)cccc3Cl)n2)n2CCCn2c1=O
Fc1ccc(cc1)-c1c(-c2ccnc(Nc3c(Cl)ncnc3Cl)n2)n2CCCn2c1=O
Fc1ccc(cc1)-c1c(-c2ccnc(Nc3c(F)cccc3F)n2)n2CCCn2c1=O
Fc1ccc(cc1)-c1c(-c2ccnc(Nc3ccccc3)n2)n2CCCn2c1=O
Fc1ccc(cc1)-c1c(-c2ccnc(Nc3ccccn3)n2)n2CCCn2c1=O
Fc1ccc(cc1)-c1c(NCc2ccccc2)onc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1ccc(cc1)-c1c(noc1C1CC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1ccc(cc1)-c1c(noc1N1CCOCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1ccc(cc1)-c1conc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Fc1ccc(cc1)-c1n[nH]cc1-c1ccncc1
Fc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1
Fc1ccc(cc1)-c1nc2ccccn2c1-c1ccc(=O)n(n1)-c1c(Cl)cccc1Cl |(-4.28,-10.03,;-3.48,-8.71,;-4.22,-7.36,;-3.43,-6.05,;-1.89,-6.08,;-1.14,-7.42,;-1.94,-8.74,;-1.1,-4.75,;.4,-5.08,;1.17,-3.75,;2.67,-3.44,;3.16,-1.98,;2.13,-.83,;.62,-1.14,;.15,-2.6,;-1.27,-3.22,;-2.6,-2.44,;-3.93,-3.21,;-5.26,-2.43,;-5.26,-.9,;-6.59,-.13,;-3.92,-.13,;-2.59,-.9,;-3.92,1.41,;-5.25,2.18,;-6.59,1.41,;-5.25,3.72,;-3.92,4.49,;-2.59,3.73,;-2.58,2.18,;-1.25,1.41,)|
Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1
Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncn1
Fc1ccc(cc1)-n1nc(cc(C(=O)NCc2ccccc2C(F)(F)F)c1=O)-c1ccncc1
Fc1ccc(cc1Cl)-c1nc2cccnn2c1-c1ccnc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Fc1cccc(F)c1-n1c2ncnc(-c3ccccc3)c2[nH]c1=O |(-4.32,-17.49,;-5.82,-17.82,;-6.29,-19.28,;-7.8,-19.61,;-8.83,-18.46,;-8.36,-17,;-9.39,-15.85,;-6.85,-16.68,;-6.37,-15.22,;-4.9,-14.74,;-3.57,-15.51,;-2.23,-14.74,;-2.24,-13.19,;-3.57,-12.43,;-3.58,-10.89,;-2.25,-10.12,;-2.25,-8.58,;-3.59,-7.82,;-4.92,-8.6,;-4.91,-10.13,;-4.91,-13.2,;-6.38,-12.72,;-7.28,-13.98,;-8.82,-13.98,)|
Fc1cccc(F)c1-n1c2ncnc(-c3ccccc3Cl)c2[nH]c1=O |(-2.8,-3.48,;-4.3,-3.81,;-4.77,-5.27,;-6.29,-5.6,;-7.32,-4.45,;-6.84,-2.99,;-7.87,-1.84,;-5.33,-2.67,;-4.86,-1.21,;-3.39,-.74,;-2.05,-1.51,;-.72,-.73,;-.72,.82,;-2.06,1.58,;-2.06,3.12,;-3.4,3.87,;-3.41,5.41,;-2.07,6.19,;-.73,5.42,;-.73,3.89,;.6,3.12,;-3.39,.81,;-4.86,1.28,;-5.76,.03,;-7.3,.03,)|
Fc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1 |(16.78,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;4.78,-14.54,;3.44,-13.77,;4.78,-16.08,;6.11,-16.85,;7.45,-16.08,;7.45,-14.54,;8.77,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,;14.12,-9.19,)|
Fc1ccccc1-c1ncnc2n(-c3c(F)cccc3F)c(=O)[nH]c12 |(20.79,-25.53,;19.45,-24.76,;19.45,-23.22,;18.11,-22.45,;16.78,-23.23,;16.79,-24.77,;18.12,-25.53,;18.13,-27.07,;19.46,-27.83,;19.47,-29.38,;18.13,-30.15,;16.8,-29.38,;15.33,-29.86,;14.85,-31.32,;15.88,-32.45,;17.38,-32.13,;15.41,-33.92,;13.9,-34.24,;12.87,-33.1,;13.34,-31.63,;12.31,-30.49,;14.42,-28.61,;12.88,-28.62,;15.32,-27.36,;16.79,-27.84,)|
Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2 |c:16|
Fc1ccccc1Nc1ncc(s1)C(=O)c1ccccc1Cl
Nc1cc(F)ccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(15.3,-10.95,;15.3,-12.49,;16.63,-13.26,;16.63,-14.82,;17.95,-15.6,;15.28,-15.57,;13.96,-14.8,;13.97,-13.26,;12.64,-12.49,;11.3,-13.26,;11.29,-14.8,;9.96,-15.56,;8.64,-14.79,;7.29,-15.56,;7.29,-17.1,;8.64,-17.85,;9.96,-17.08,;8.64,-19.39,;7.29,-20.16,;5.95,-19.39,;5.95,-17.85,;4.63,-17.08,;5.98,-14.79,;4.65,-15.54,;5.98,-13.25,;7.29,-12.48,;8.64,-13.25,;9.98,-12.48,)|
Nc1cc(OCCCc2ccccc2)c2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Nc1cc(OCc2ccc(F)cc2)c2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Nc1cc(OCc2ccccc2)c2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Nc1cc(ncn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Nc1cc2n(-c3c(F)cccc3F)c(=O)ccc2c(n1)-c1ccc(F)cc1F |(15,-16.28,;13.66,-17.04,;12.34,-16.27,;11.01,-17.03,;9.67,-16.27,;9.67,-14.73,;11.01,-13.96,;12.35,-14.72,;11.01,-12.4,;9.67,-11.64,;8.34,-12.41,;8.34,-13.96,;7,-14.73,;8.34,-17.03,;7.01,-16.26,;8.34,-18.57,;9.67,-19.35,;11,-18.57,;12.32,-19.35,;13.66,-18.59,;12.31,-20.89,;10.97,-21.64,;10.96,-23.18,;12.29,-23.96,;12.28,-25.51,;13.63,-23.19,;13.64,-21.66,;14.97,-20.89,)|
Nc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)cc1
Nc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Nc1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccncc1
Nc1ccc2c(c([nH]c2n1)-c1ccc(F)c(F)c1)-c1ccncc1
Nc1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Nc1ccc2c(c([nH]c2n1)-c1cccc(Cl)c1)-c1ccncc1
Nc1ccc2c(c([nH]c2n1)-c1cccc(I)c1)-c1ccncc1
Nc1cccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)c1
Nc1cccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)c1F
Nc1ccccc1Nc1ccc2c(CCc3ccccc3C2=O)c1
Nc1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)c1
Nc1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccncc1
Nc1ccn2c(c(nc2n1)-c1ccccc1)-c1ccnc(N[C@H]2CCCc3ccccc23)c1
Nc1ccn2c(c(nc2n1)-c1ccccc1)-c1ccncn1
Nc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
O=C(c1cnc(Nc2ccccc2)s1)c1ccccc1
O=C1CCc2ccccc2N1
Oc1cc2n(-c3c(F)cccc3F)c(=O)ccc2c(n1)-c1ccc(F)cc1F |(1.5,-17.57,;.16,-18.34,;-1.16,-17.57,;-2.49,-18.33,;-3.83,-17.56,;-3.83,-16.02,;-2.49,-15.25,;-1.16,-16.02,;-2.5,-13.7,;-3.83,-12.94,;-5.16,-13.71,;-5.16,-15.25,;-6.5,-16.02,;-5.16,-18.33,;-6.49,-17.56,;-5.17,-19.86,;-3.83,-20.64,;-2.5,-19.87,;-1.18,-20.64,;.16,-19.88,;-1.19,-22.18,;-2.53,-22.94,;-2.54,-24.48,;-1.21,-25.26,;-1.22,-26.8,;.13,-24.49,;.14,-22.95,;1.47,-22.19,)|
Oc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)c(F)c1
Oc1ccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)cc1
Oc1ccc(cc1)-c1[nH]c(nc1-c1ccccc1)-c1ccc(Br)cc1
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Oc1ccc2c(c([nH]c2n1)-c1ccc(F)cc1)-c1ccncc1
Oc1cccc(c1)C(=O)c1cnc(Nc2ccccc2)s1
Oc1ccccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 |(14.12,-7.65,;14.12,-9.19,;15.44,-9.96,;15.44,-11.5,;14.1,-12.27,;12.77,-11.5,;12.78,-9.96,;11.45,-9.18,;10.12,-9.95,;10.11,-11.49,;8.77,-12.23,;7.45,-11.46,;6.11,-12.23,;6.11,-13.77,;7.45,-14.54,;8.77,-13.77,;7.45,-16.08,;6.11,-16.85,;4.78,-16.08,;4.78,-14.54,;3.44,-13.77,;4.79,-11.46,;3.46,-12.23,;4.79,-9.92,;6.11,-9.15,;7.45,-9.92,;8.79,-9.15,)|
Oc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Oc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
[#6]-[#8]-c1ccc(cc1-[#7]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)c2ccccc12)[Si;v4]([#6])([#6])[#6]
[#6]-c1ccc(cc1)-n1nc(cc1-[#7]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)c2ccccc12)[Si;v4]([#6])([#6])[#6]
[H][C@@]1(O)C(OC)=C[C@]23CCCN2CCc2cc4OCOc4cc2[C@]13[H] |c:5|
[O-][N+](=O)c1cccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)c1
[O-][N+](=O)c1cccc(Nc2ncc(s2)C(=O)c2ccccc2Cl)c1F
[O-][n+]1ccc2c(cc(nc2c1-c1c(Cl)cccc1Cl)C1CCNCC1)-c1ccc(F)cc1F |(3.73,1.38,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;-0,3.85,;-1.07,3.23,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;-4.01,1.54,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-5.33,3.86,;-4,3.08,;-1.33,-3.08,;.01,-3.84,;.01,-5.38,;-1.32,-6.16,;-1.32,-7.39,;-2.65,-5.39,;-2.66,-3.85,;-3.73,-3.24,)|
[O-][n+]1ccc2n(-c3c(Cl)cccc3Cl)c(=O)ccc2c1-c1ccc(F)cc1F |(28.58,-.9,;27.25,-.12,;27.26,1.42,;25.93,2.19,;24.6,1.43,;23.26,2.2,;23.27,3.74,;21.93,4.51,;20.6,3.74,;21.93,6.05,;23.26,6.82,;24.6,6.06,;24.6,4.51,;25.94,3.74,;21.93,1.43,;20.6,2.2,;21.93,-.1,;23.26,-.88,;24.59,-.11,;25.92,-.88,;25.9,-2.42,;24.56,-3.18,;24.55,-4.72,;25.88,-5.5,;25.87,-7.04,;27.22,-4.73,;27.23,-3.19,;28.57,-2.43,)|