497 SMILES Strings for Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor

Compound Name
SMILES String
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C1(C)CC2CCCN2O1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(Br)ccc2NS(=O)(=O)C(F)(F)F)cc1
CCCCc1ncc(\C=C(/Cc2ccncc2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C(Cc2ccccc2)=C\C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2ccc3ccccc3c2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2ccc3OCOc3c2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2ccc(OC)c(OC)c2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2ccco2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2ccc(OC)cc2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C/C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C(C)=C\C(O)=O)n1Cc1ccccc1Cl
CCCC\C(=C/C(O)=O)c1cnc(CCCC)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/C)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/C(Cc2ccccc2)c2cccs2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C\C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C(C)=C(/Cc2ccccc2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(\Cc2ccccc2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2ccc(O)c(O)c2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2ccc(cc2)N(C)C)C(O)=O)n1Cc1ccccc1Cl
CCCCc1nc2cccc(C(O)=O)c2nc1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc2ccccc2[n+]([O-])c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)[n+]([O-])c2ccccc2[n+]1[O-]
CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
CCCCc1nc2ccccc2nc1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
FC(F)(F)c1nc2CCCCc2c(NCc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)n1
OC(=O)c1ccccc1-c1ccc(CNc2nc(nc3CCCCc23)C(F)(F)F)cc1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
FC(F)(F)c1nc2CCCCc2c(NCc2ccc(cc2)-c2ccccc2NS(=O)(=O)C(F)(F)F)n1
Oc1c(-c2ccccc2-c2ccc(CNc3nc(nc4CCCCc34)C(F)(F)F)cc2)c(=O)c1=O |(19.69,-5.71,;18.15,-5.71,;17.05,-6.79,;17.07,-8.34,;18.41,-9.11,;18.41,-10.65,;17.07,-11.43,;15.74,-10.65,;15.74,-9.11,;14.39,-8.34,;14.39,-6.8,;13.06,-6.03,;11.73,-6.82,;10.39,-6.06,;9.04,-6.83,;7.69,-6.09,;6.37,-6.86,;5.04,-6.1,;5.03,-4.56,;6.36,-3.79,;6.35,-2.26,;7.67,-1.5,;9,-2.26,;9,-3.79,;7.68,-4.55,;3.71,-6.9,;2.37,-6.13,;3.72,-8.44,;3.3,-5.4,;11.74,-8.36,;13.08,-9.11,;15.97,-5.72,;14.43,-5.73,;17.05,-4.63,;17.05,-3.09,)|
CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:4.4,47.47,60.63,35.36,20.21,wD:2.2,24.32,8.17,64.66,(24.13,1.24,;24.1,-.31,;25.42,-1.09,;26.77,-.35,;25.4,-2.63,;24.05,-3.38,;22.73,-2.59,;22.75,-1.05,;21.38,-3.34,;21.36,-4.88,;22.68,-5.66,;24.01,-4.93,;25.33,-5.71,;25.32,-7.24,;26.64,-8.05,;23.97,-8.01,;22.65,-7.22,;20.06,-2.55,;18.71,-3.29,;18.68,-4.83,;17.38,-2.5,;16.04,-3.25,;14.72,-2.46,;14.74,-.92,;13.37,-3.2,;13.34,-4.74,;14.66,-5.53,;14.64,-7.08,;15.96,-7.87,;15.93,-9.4,;14.59,-10.16,;17.25,-10.21,;12.05,-2.42,;10.69,-3.15,;10.67,-4.69,;9.37,-2.36,;8.03,-3.1,;9.4,-.82,;10.75,-.07,;12.07,-.88,;10.78,1.47,;17.41,-.96,;18.76,-.21,;16.1,-.17,;26.72,-3.43,;26.69,-4.97,;28.07,-2.68,;29.38,-3.48,;30.73,-2.73,;30.75,-1.19,;29.53,-.27,;30.03,1.18,;31.57,1.17,;32.02,-.31,;29.35,-5.02,;28.01,-5.76,;30.54,-5.79,;31.99,-5.25,;32.95,-6.46,;32.1,-7.74,;30.62,-7.33,;29.33,-8.36,;27.89,-7.82,;29.58,-9.88,;28.39,-10.86,;26.95,-10.32,;25.76,-11.3,;26.02,-12.81,;24.84,-13.79,;23.4,-13.26,;23.14,-11.74,;24.32,-10.75,;28.64,-12.38,;27.45,-13.36,;30.08,-12.92,)|
CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(F)(F)C(F)(F)F
CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(F)(F)F
CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(F)(F)C(F)(F)F
CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(F)(F)F
CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(F)(F)C(F)(F)C(F)(F)F
CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)F
CCCCc1cn(-c2ccccc2CC)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1
CCCCc1cn(-c2ccccc2C)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1
CCCCc1cn(-c2c(CC)cccc2CC)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1 |(.63,-7.73,;-.9,-7.51,;-1.46,-6.08,;-3,-5.83,;-3.56,-4.39,;-5.03,-3.99,;-5.12,-2.47,;-6.45,-1.7,;-6.45,-.15,;-5.12,.62,;-5.14,2.16,;-7.79,.62,;-9.12,-.16,;-9.12,-1.7,;-7.79,-2.47,;-7.79,-4.01,;-9.12,-4.77,;-3.7,-1.91,;-3.3,-.4,;-2.72,-3.08,;-1.18,-3,;-.48,-1.64,;1.06,-1.55,;1.75,-.17,;.92,1.13,;-.62,1.04,;-1.32,-.33,;1.61,2.49,;3.15,2.58,;3.85,3.95,;3.01,5.26,;1.48,5.16,;.78,3.79,;-.76,3.7,;-1.54,2.39,;-3.04,2.74,;-3.18,4.24,;-1.79,4.86,)|
CCCCc1cn(-c2ccccc2C(C)C)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
CCCCc1cn([C@@H]2[C@@H](C)CCC[C@H]2C)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nnn[nH]1
CCCCc1cn(CCCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
CCCCc1cn(-c2c(cccc2C(C)C)C(C)C)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1 |(.63,-7.72,;-.9,-7.5,;-1.46,-6.07,;-2.99,-5.82,;-3.55,-4.38,;-5.03,-3.99,;-5.12,-2.47,;-6.44,-1.7,;-7.79,-2.47,;-9.11,-1.7,;-9.11,-.16,;-7.79,.62,;-6.44,-.15,;-5.12,.62,;-5.13,2.16,;-6.46,1.39,;-7.79,-4,;-9.11,-4.77,;-6.44,-4.77,;-3.69,-1.91,;-3.3,-.4,;-2.71,-3.08,;-1.18,-3,;-.48,-1.64,;1.05,-1.54,;1.75,-.17,;.92,1.13,;-.62,1.04,;-1.32,-.33,;1.61,2.49,;3.15,2.57,;3.85,3.95,;3.01,5.25,;1.47,5.16,;.78,3.78,;-.76,3.7,;-1.54,2.39,;-3.04,2.74,;-3.18,4.23,;-1.78,4.85,)|
CCCCc1nc(CCCC)n(Cc2ccc(nc2)-c2ccccc2-c2nnn[nH]2)n1
CCCCc1cn(CCCC)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nnn[nH]1
CCCCc1cn(-c2ccccc2)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1
CCCCc1cn(-c2c(C)cccc2C)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1 |(.63,-7.72,;-.9,-7.5,;-1.46,-6.07,;-2.99,-5.82,;-3.55,-4.38,;-5.03,-3.99,;-5.12,-2.47,;-6.44,-1.7,;-7.79,-2.47,;-7.79,-4,;-9.11,-1.7,;-9.11,-.16,;-7.79,.62,;-6.44,-.15,;-5.12,.62,;-3.69,-1.91,;-3.3,-.4,;-2.71,-3.08,;-1.18,-3,;-.48,-1.64,;1.05,-1.54,;1.75,-.17,;.92,1.13,;-.62,1.04,;-1.32,-.33,;1.61,2.49,;3.15,2.57,;3.85,3.95,;3.01,5.25,;1.47,5.16,;.78,3.78,;-.76,3.7,;-1.54,2.39,;-3.04,2.74,;-3.18,4.23,;-1.78,4.85,)|
CCCCc1cn(-c2ccccc2C(C)(C)C)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)n1
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(s1)-c1ccccc1-c1nn[nH]n1
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccsc1-c1nnn[nH]1
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccoc1-c1nn[nH]n1
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1cscc1-c1nn[nH]n1
CCCCc1nc(Cc2ccc(cc2)-c2ccccc2C(O)=O)n(CCCC)n1
CCCCc1nc(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nn1CCCC
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C1CCCO1
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccco1
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C1OCC=C1 |c:41|
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)OC
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cccs1
CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)CO
CCCCc1nc2ccc(CN)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(CC)OC
CCCCc1nc2ccc(CO)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)CC
CCCCc1nc2ccc(COC)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)OC
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)NC(C)=O
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)O
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)N
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)OC
CCCCc1nc2ccc(C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)C(C)(C)C
CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(OC)c1ccccc1
CCC1Nc2ccccc2C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCC1(CCCC)Nc2ccccc2C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCC1N(C)c2ccccc2C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCC1Nc2ccc(cc2C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)C
CCCCC1Nc2ccccc2C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NC1(Cc2ccccc2C1)C(O)=O |wU:56.59,36.36,17.16,wD:43.43,24.23,6.5,(2.9,-15.88,;2.9,-14.34,;4.23,-13.57,;5.56,-14.34,;5.56,-15.88,;6.91,-13.57,;8.24,-14.34,;8.24,-15.88,;9.57,-16.66,;9.57,-18.2,;10.92,-18.97,;10.92,-20.51,;12.25,-21.28,;9.57,-21.28,;9.57,-13.57,;9.57,-12.03,;10.92,-14.34,;12.25,-13.57,;12.25,-12.03,;13.58,-11.24,;10.92,-11.24,;13.58,-14.34,;13.58,-15.88,;14.93,-13.57,;16.26,-14.34,;16.26,-15.88,;17.59,-16.66,;17.59,-18.2,;18.94,-18.97,;20.27,-18.2,;21.6,-18.97,;20.27,-16.66,;18.94,-15.88,;17.59,-13.57,;17.59,-12.03,;18.94,-14.34,;20.27,-13.57,;20.27,-12.03,;21.6,-11.24,;18.94,-11.24,;21.6,-14.34,;21.6,-15.88,;22.95,-13.57,;24.28,-14.34,;24.28,-15.88,;24.84,-17.37,;25,-18.9,;26.51,-19.22,;27.3,-17.88,;26.25,-16.72,;25.61,-13.57,;25.61,-12.03,;26.96,-14.34,;27.12,-15.88,;28.63,-16.2,;29.4,-14.86,;28.37,-13.71,;28.69,-12.2,;30.16,-11.72,;27.54,-11.17,;27.88,-9.67,;28.79,-8.42,;30.25,-8.9,;31.58,-8.13,;32.89,-8.9,;32.89,-10.44,;31.57,-11.21,;30.23,-10.44,;28.78,-10.92,;26.72,-8.63,;27.04,-7.12,;25.26,-9.11,)|
CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:59.62,39.39,46.46,27.26,18.18,7.7,wD:3.3,63.65,(-.29,-6,;-1.35,-5.38,;-2.42,-5.99,;-1.34,-3.84,;-2.68,-3.06,;-4.01,-3.83,;-4.02,-5.06,;-5.35,-3.05,;-5.34,-1.51,;-6.67,-.74,;-6.67,.8,;-8,1.57,;-8,3.11,;-9.06,3.73,;-6.93,3.73,;-6.68,-3.82,;-8.01,-3.05,;-8.01,-1.81,;-9.35,-3.81,;-9.35,-5.04,;-10.68,-3.04,;-12.02,-3.8,;-12.02,-5.03,;-13.08,-3.18,;-.01,-3.07,;-0,-1.84,;1.33,-3.85,;2.66,-3.08,;2.67,-1.54,;4,-.77,;4,.77,;5.34,1.54,;6.67,.76,;7.74,1.37,;6.66,-.78,;5.33,-1.54,;4,-3.85,;5.06,-3.24,;3.99,-5.39,;5.33,-6.17,;6.66,-5.4,;7.73,-6.02,;6.67,-4.17,;5.33,-7.71,;4.26,-8.32,;6.66,-8.48,;6.66,-10.02,;7.99,-10.8,;9.33,-10.03,;10.71,-10.67,;11.74,-9.53,;10.97,-8.19,;9.47,-8.51,;5.32,-10.79,;4.25,-10.18,;5.32,-12.34,;6.57,-13.21,;6.1,-14.68,;4.56,-14.69,;4.08,-13.22,;2.62,-12.73,;1.69,-13.55,;2.31,-11.22,;.85,-10.74,;.53,-9.23,;-.92,-8.74,;-1.24,-7.23,;-2.7,-6.75,;-3.85,-7.77,;-3.54,-9.28,;-2.07,-9.76,;-.31,-11.76,;-.06,-12.96,;-1.48,-11.37,)|
CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(O)=O |wU:60.62,56.59,36.36,17.16,wD:43.43,24.23,6.5,(2.9,-15.86,;2.9,-14.33,;4.23,-13.56,;5.56,-14.33,;5.56,-15.86,;6.9,-13.56,;8.24,-14.33,;8.24,-15.86,;9.56,-16.64,;9.56,-18.18,;10.91,-18.95,;10.91,-20.49,;12.24,-21.26,;9.56,-21.26,;9.56,-13.56,;9.56,-12.02,;10.91,-14.33,;12.24,-13.56,;12.24,-12.02,;13.57,-11.23,;10.91,-11.23,;13.57,-14.33,;13.57,-15.86,;14.91,-13.56,;16.25,-14.33,;16.25,-15.86,;17.57,-16.64,;17.57,-18.18,;18.92,-18.95,;20.25,-18.18,;21.58,-18.95,;20.25,-16.64,;18.92,-15.86,;17.57,-13.56,;17.57,-12.02,;18.92,-14.33,;20.25,-13.56,;20.25,-12.02,;21.58,-11.23,;18.92,-11.23,;21.58,-14.33,;21.58,-15.86,;22.93,-13.56,;24.26,-14.33,;24.26,-15.86,;24.82,-17.35,;24.98,-18.88,;26.48,-19.2,;27.27,-17.86,;26.23,-16.71,;25.59,-13.56,;25.59,-12.02,;26.93,-14.33,;27.09,-15.86,;28.6,-16.18,;29.37,-14.85,;28.34,-13.7,;28.66,-12.19,;30.13,-11.71,;27.51,-11.16,;27.85,-9.66,;29.3,-9.18,;29.62,-7.67,;31.09,-7.19,;31.41,-5.68,;30.26,-4.65,;28.79,-5.13,;28.47,-6.63,;30.84,-9.18,;31.6,-10.49,;33.14,-10.49,;33.89,-9.17,;33.12,-7.83,;31.58,-7.85,;26.7,-8.62,;27.02,-7.11,;25.23,-9.1,)|
CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,60.62,wD:43.43,24.23,6.5,(-1.11,-12.66,;-1.11,-11.12,;.24,-10.35,;1.55,-11.12,;1.55,-12.66,;2.9,-10.35,;4.24,-11.12,;4.24,-12.66,;5.56,-13.44,;5.56,-14.98,;6.9,-15.75,;6.9,-17.28,;8.25,-18.05,;5.56,-18.05,;5.56,-10.35,;5.56,-8.81,;6.9,-11.12,;8.25,-10.35,;8.25,-8.81,;9.56,-8.02,;6.9,-8.02,;9.56,-11.12,;9.56,-12.66,;10.91,-10.35,;12.25,-11.12,;12.25,-12.66,;13.57,-13.44,;13.57,-14.98,;14.91,-15.75,;16.26,-14.98,;17.57,-15.75,;16.26,-13.44,;14.91,-12.66,;13.57,-10.35,;13.57,-8.81,;14.91,-11.12,;16.26,-10.35,;16.26,-8.81,;17.57,-8.02,;14.91,-8.02,;17.57,-11.12,;17.57,-12.66,;18.92,-10.35,;20.27,-11.12,;20.27,-12.66,;20.81,-14.14,;20.59,-15.7,;22.19,-16.42,;23.31,-15.06,;22.28,-13.86,;21.58,-10.35,;21.58,-8.81,;22.93,-11.12,;23.09,-12.66,;24.59,-12.98,;25.36,-11.64,;24.34,-10.49,;24.66,-8.98,;26.13,-8.5,;23.5,-7.96,;23.85,-6.45,;25.39,-5.8,;26.45,-4.72,;25.97,-3.27,;27,-2.13,;28.5,-2.47,;28.98,-3.94,;27.93,-5.04,;29.56,-1.32,;29.08,.15,;30.14,1.3,;31.66,.98,;32.12,-.51,;31.09,-1.65,;22.7,-5.42,;23.02,-3.91,;21.23,-5.9,)|
CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O |wU:36.36,17.16,56.59,wD:43.43,24.23,6.5,(1.06,-8.48,;1.83,-7.17,;3.16,-6.41,;4.5,-7.17,;4.5,-8.7,;5.8,-6.41,;7.14,-7.17,;7.14,-8.7,;8.45,-9.47,;8.45,-10.99,;9.78,-11.78,;9.78,-13.31,;11.12,-14.07,;8.45,-14.07,;8.45,-6.41,;8.45,-4.88,;9.78,-7.17,;11.12,-6.41,;11.12,-4.88,;12.46,-4.11,;9.78,-4.11,;12.46,-7.17,;12.46,-8.7,;13.76,-6.41,;15.1,-7.17,;15.1,-8.7,;16.44,-9.47,;17.74,-8.7,;19.08,-9.47,;19.08,-10.99,;20.42,-11.78,;17.74,-11.78,;16.44,-10.99,;16.44,-6.41,;16.44,-4.88,;17.74,-7.17,;19.08,-6.41,;19.08,-4.88,;20.42,-4.11,;17.74,-4.11,;20.42,-7.17,;20.42,-8.7,;21.72,-6.41,;23.06,-7.17,;23.06,-8.7,;23.63,-10.17,;23.19,-11.76,;24.62,-12.62,;25.89,-11.52,;25.18,-10.17,;24.4,-6.41,;24.4,-4.88,;25.7,-7.17,;25.86,-8.7,;27.36,-9.02,;28.15,-7.68,;27.1,-6.54,;27.42,-5.04,;26.31,-4.02,;28.89,-4.58,)|
CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,wD:43.43,24.23,60.62,6.5,(-1.11,-12.7,;-1.11,-11.16,;.24,-10.39,;1.55,-11.16,;1.55,-12.7,;2.9,-10.39,;4.24,-11.16,;4.24,-12.7,;5.56,-13.47,;5.56,-15.01,;6.9,-15.78,;6.9,-17.32,;8.25,-18.09,;5.56,-18.09,;5.56,-10.39,;5.56,-8.86,;6.9,-11.16,;8.25,-10.39,;8.25,-8.86,;9.56,-8.05,;6.9,-8.05,;9.56,-11.16,;9.56,-12.7,;10.91,-10.39,;12.25,-11.16,;12.25,-12.7,;13.57,-13.47,;13.57,-15.01,;14.91,-15.78,;16.26,-15.01,;17.57,-15.78,;16.26,-13.47,;14.91,-12.7,;13.57,-10.39,;13.57,-8.86,;14.91,-11.16,;16.26,-10.39,;16.26,-8.86,;17.57,-8.05,;14.91,-8.05,;17.57,-11.16,;17.57,-12.7,;18.92,-10.39,;20.27,-11.16,;20.27,-12.7,;20.81,-14.18,;20.59,-15.75,;22.19,-16.45,;23.31,-15.11,;22.28,-13.91,;21.58,-10.39,;21.58,-8.86,;22.93,-11.16,;23.09,-12.7,;24.59,-13.02,;25.36,-11.68,;24.34,-10.52,;24.66,-9.02,;26.13,-8.54,;23.5,-7.99,;23.85,-6.48,;25.39,-5.84,;26.45,-4.75,;25.97,-3.31,;27,-2.18,;28.5,-2.51,;28.98,-3.98,;27.93,-5.1,;29.56,-1.36,;29.08,.12,;30.14,1.27,;31.66,.93,;32.12,-.56,;31.09,-1.7,;22.7,-5.46,;23.02,-3.95,;21.23,-5.94,)|
CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,wD:60.62,43.43,24.23,6.5,(2.9,-15.86,;2.9,-14.33,;4.23,-13.56,;5.56,-14.33,;5.56,-15.86,;6.9,-13.56,;8.24,-14.33,;8.24,-15.86,;9.56,-16.64,;9.56,-18.18,;10.91,-18.95,;10.91,-20.49,;12.24,-21.26,;9.56,-21.26,;9.56,-13.56,;9.56,-12.02,;10.91,-14.33,;12.24,-13.56,;12.24,-12.02,;13.57,-11.23,;10.91,-11.23,;13.57,-14.33,;13.57,-15.86,;14.91,-13.56,;16.25,-14.33,;16.25,-15.86,;17.57,-16.64,;17.57,-18.18,;18.92,-18.95,;20.25,-18.18,;21.58,-18.95,;20.25,-16.64,;18.92,-15.86,;17.57,-13.56,;17.57,-12.02,;18.92,-14.33,;20.25,-13.56,;20.25,-12.02,;21.58,-11.23,;18.92,-11.23,;21.58,-14.33,;21.58,-15.86,;22.93,-13.56,;24.26,-14.33,;24.26,-15.86,;24.82,-17.35,;24.98,-18.88,;26.48,-19.2,;27.27,-17.86,;26.23,-16.71,;25.59,-13.56,;25.59,-12.02,;26.93,-14.33,;27.09,-15.86,;28.6,-16.18,;29.37,-14.85,;28.34,-13.7,;28.66,-12.19,;30.13,-11.71,;27.51,-11.16,;27.85,-9.66,;29.3,-9.18,;29.62,-7.67,;31.09,-7.19,;31.41,-5.68,;30.26,-4.65,;28.79,-5.13,;28.47,-6.63,;30.84,-9.18,;31.6,-10.49,;33.14,-10.49,;33.89,-9.17,;33.12,-7.83,;31.58,-7.85,;26.7,-8.62,;27.02,-7.11,;25.23,-9.1,)|
CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)CCC(O)=O)cc1
CCCCc1nc(Cl)c(Cc2nnn[nH]2)n1Cc1cccc(c1)-c1nnn[nH]1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(OC)cccc2C(O)=O)cc1
CCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)C(CC(O)=O)c2ccccc2)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)CC(C(O)=O)c2ccccc2)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(C)ccc2NS(=O)(=O)C(F)(F)F)cc1
CCCCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C(F)(F)F
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)CCCC(O)=O)cc1
CCCCc1nc(CC(O)=O)c(Cl)n1Cc1ccc(cc1)C(O)=O
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc(c2C(O)=O)[N+]([O-])=O)cc1
CCCCc1nc(Cl)c(Cc2nnn[nH]2)n1Cc1ccc(cc1)-c1nnn[nH]1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)\C=C/C(O)=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccccc1NC(=O)c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)cc1
CCCCc1nc(CC(=O)OC)c(Cl)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
COc1ccc(Cc2nccn2Cc2ccc(NC(=O)c3ccccc3C(O)=O)cc2)cc1
CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1C(O)=O
OC(=O)c1ccccc1C(=O)Nc1ccc(Cn2ccnc2CCc2ccccc2)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(cc1)N1C(=O)C(=C(C1=O)c1ccccc1)c1ccccc1 |c:27|
CCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(cc1)[N+]([O-])=O
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(C)cccc2C(O)=O)cc1
OCc1c(Cl)nc(CCCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O)cc1
CC(C)c1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)Nc1cccc(C)c1C(O)=O
CCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
OCc1cncn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc(C)c2NS(=O)(=O)C(F)(F)F)cc1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(\C=N\O)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2C(O)=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccccc1NS(=O)(=O)C(F)(F)F
CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1[N+]([O-])=O
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)N1CCC[C@H]1C(O)=O
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)cc1
OC(=O)c1ccccc1C(=O)Nc1ccc(Cn2ccnc2)cc1
CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1Cl
CCCCc1nc(Cl)c(CC(O)=O)n1Cc1cccc(c1)C(O)=O
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc3ccccc3cc2C(O)=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(I)ccc2NS(=O)(=O)C(F)(F)F)cc1
Cc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)N(C)C(=O)c1c(Cl)ccc(Cl)c1C(O)=O
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(C=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(N)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)C(F)(F)F)cc1
CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccc(CC(O)=O)cc1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(OC)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2C(O)=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(C)ccc2C(O)=O)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)Nc1ccccc1-c1nn[nH]n1
CCCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NCc2ccccc2)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2ccccc2S(O)(=O)=O)cc1
CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2C(O)=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(cc2C(O)=O)[N+]([O-])=O)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)N1CCC[C@@H]1C(O)=O
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)C2CCCCC2NS(=O)(=O)C(F)(F)F)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)C(F)(F)F)cc1
CCCCCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(cc1)N1C(=O)c2ccccc2C1=O
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)cc1
OC(=O)c1ccccc1C(=O)Nc1ccc(Cn2ccnc2CC2CCCCC2)cc1
CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1
CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)C(O)=O
CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)Nc2ccccc2NS(=O)(=O)C(F)(F)F)cc1
CCCSc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
CCCCc1ncc(CO)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
CCCCc1nc(Cl)c(CNC(=O)OC)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
CCCCc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(\C=C\c2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(Oc2ccccc2C(O)=O)cc1
CCSc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(Sc2ccccc2C(O)=O)cc1
CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
CCCCc1nc(COC(C)=O)c(Cl)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
OC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccccc1
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2CCC12CC3CC(CC(C3)C1)C2 |TLB:36:35:38:31.30.32,36:31:38:35.37.34,THB:34:33:30:35.37.36,34:35:30:33.38.32|
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(C2CCCCC2)c2ccccc2)cc1C
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2CCC1CCCCC1
OC(=O)C1Cc2c(CN1C(=O)C(c1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O)ncn2Cc1ccccc1
OC(=O)C1Cc2ncn(Cc3ccccc3)c2CN1C(=O)\C=C\c1ccccc1
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2CCCc1ccccc1
Cc1cccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)c1
CNC(=O)Nc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)CC(c2ccccc2)c2ccccc2)cc1C
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc2ccccc2c1
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1cccc(Br)c1
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1C
COc1ccc(cc1)C(C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O)c1ccc(OC)cc1
Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1[N+]([O-])=O
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2CC1CCCCC1
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |wU:57.60,4.4,44.44,24.25,wD:20.21,8.8,61.64,2.2,(10.41,1.37,;9.34,.76,;9.34,-.78,;10.41,-1.4,;8.01,-1.55,;6.67,-.78,;5.34,-1.55,;5.33,-2.78,;4,-.77,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.34,.77,;-2.41,1.39,;-1.34,-.77,;,-1.54,;4.01,.77,;5.35,1.53,;6.41,.91,;5.35,3.07,;6.69,3.84,;8.02,3.06,;8.02,1.83,;9.36,3.83,;10.7,3.06,;12.03,3.82,;13.37,3.05,;14.71,3.81,;16.04,3.04,;17.11,3.65,;16.03,1.81,;9.36,5.37,;8.03,6.14,;7.14,5.63,;8.03,7.68,;6.7,8.46,;6.7,9.48,;4.02,3.85,;2.95,3.24,;4.03,5.08,;8,-3.09,;6.94,-3.71,;9.34,-3.87,;9.33,-5.41,;10.67,-6.18,;12,-5.42,;13.4,-6.06,;14.43,-4.91,;13.66,-3.58,;12.15,-3.89,;8,-6.18,;7.11,-5.67,;8,-7.72,;9.25,-8.61,;8.77,-10.07,;7.23,-10.07,;6.76,-8.61,;5.3,-8.12,;5.05,-6.92,;4.14,-9.14,;2.68,-8.65,;2.44,-7.45,;1.52,-9.68,;1.73,-10.68,;.36,-9.29,)|
OC(=O)[C@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccccc1
CN(C)c1ccc(Cn2cnc3CN(C(CO)Cc23)C(=O)C(c2ccccc2)c2ccccc2)cc1C
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)Cc2ccccc2)cc1C
OC(=O)C1Cc2c(CN1C(=O)C1c3ccccc3-c3ccccc13)ncn2Cc1ccccc1
CCN(CC)c1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1
COc1ccc(Cn2cnc3CN(C(CO)Cc23)C(=O)C(c2ccccc2)c2ccccc2)cc1C
COC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(N(C)C)c(C)c1
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccc(cc2)[N+]([O-])=O)c2ccc(cc2)[N+]([O-])=O)cc1C
OCC1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccccc1
OC(=O)C1Cc2c(CN1C(=O)C(=O)c1ccccc1)ncn2Cc1ccccc1
COc1ccc(Cn2cnc3CN(C(CO)Cc23)C(=O)N(C)c2ccccc2)cc1C
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)cc1C
Cc1cc(C)cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)c1
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2C(c1ccccc1)c1ccccc1
O=C(C(c1ccccc1)c1ccccc1)N1CCc2c(C1)ncn2Cc1ccccc1
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C2(CCCC2)c2ccccc2)cc1C
Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N
OC(=O)C1Cc2c(CN1C(=O)Cc1ccccc1)ncn2Cc1ccccc1
CC(C)NC(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O
OCC1Cc2c(CN1C(=O)C(C1CCCC1)c1ccccc1)ncn2Cc1ccccc1
OC(=O)C1Cc2c(CN1C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)ncn2Cc1ccccc1
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1C
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1cccc(Cl)c1
CN(C)c1ccc(Cn2cnc3CN([C@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)CC23CC4CC(CC(C4)C2)C3)cc1C |TLB:25:26:30:24.23.29,THB:25:24:30:26.31.27,27:26:23:28.30.29,27:28:23:26.31.25|
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1cccc(c1)C(F)(F)F
Nc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1
Nc1ccc(cc1)C(C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O)c1ccc(N)cc1
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1OC
Cc1ccc(cc1)C(C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O)c1ccc(C)cc1
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)N(C)c2ccccc2)cc1C
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(cc1)C(F)(F)F
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O |wU:8.7,25.27,wD:41.44,4.4,15.16,29.31,45.48,2.2,62.65,(8.44,-18.06,;9.36,-17.24,;9.05,-15.73,;7.88,-15.34,;10.19,-14.7,;9.88,-13.19,;11.03,-12.16,;12.2,-12.55,;10.71,-10.66,;11.74,-9.51,;10.97,-8.18,;9.46,-8.5,;9.33,-10.02,;7.99,-10.79,;7.99,-12.02,;6.66,-10.02,;5.32,-10.79,;5.32,-12.33,;4.07,-13.22,;4.55,-14.68,;6.09,-14.68,;6.56,-13.21,;6.66,-8.48,;5.33,-7.71,;4.43,-8.22,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;1.33,-3.85,;-.01,-3.08,;-1.34,-3.84,;-2.67,-3.07,;-2.67,-1.53,;-3.73,-.91,;-1.33,-.76,;,-1.54,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4.01,.77,;5.35,1.53,;5.36,3.07,;4.29,3.69,;6.69,3.84,;6.7,5.37,;8.04,6.14,;8.04,7.68,;9.38,8.44,;9.39,9.99,;10.45,10.6,;8.32,10.61,;8.03,3.06,;8.02,1.52,;6.94,.91,;9.35,.74,;9.34,-.8,;10.22,-1.32,;2.68,1.54,;1.61,.93,;2.69,2.78,;6.66,-5.4,;7.73,-6.01,;6.66,-3.86,;7.73,-3.24,;11.66,-15.17,;11.91,-16.38,;12.58,-14.35,)|
CN(C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1CO)c1ccccc1
OC(=O)C1Cc2c(CN1C(=O)Nc1ccccc1)ncn2Cc1ccccc1
OC(=O)C1Cc2c(CN1C(=O)COc1ccccc1)ncn2Cc1ccccc1
COc1ccc(Cn2cnc3CN(CCc23)C(=O)C(c2ccccc2)c2ccccc2)cc1C
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1[N+]([O-])=O
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(F)cc1
CC(=O)Nc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1
CC(c1ccccc1)n1cnc2CN([C@@H](Cc12)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2CCc1ccccc1
COc1ccc(C)cc1Cn1cnc2CN([C@@H](Cc12)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
COc1cccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)c1
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(cc1)[N+]([O-])=O
OC(=O)C1Cc2c(CN1C(=O)OCc1ccccc1)ncn2Cc1ccccc1
CN(C)c1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
CCc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1OC
OC(=O)C1Cc2c(CN1C(=O)\C=C\c1ccccc1)ncn2Cc1ccccc1
OCC1Cc2c(CN1C(=O)Cc1ccccc1)ncn2Cc1ccccc1
Cc1ccc(cc1)S(=O)(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O
COC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(c(C)c1)[N+]([O-])=O
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
CC(=O)Nc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(C)c2ccccc2)cc1C
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)CC2CCCCC2)cc1C
OC(=O)C1Cc2c(CN1C(=O)C(C1CCCC1)c1ccccc1)ncn2Cc1ccccc1
CN(Cc1ccccc1)C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O
OC(=O)C1Cc2c(CN1C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)ncn2Cc1ccccc1
Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1O
OC(=O)C1Cc2c(CN1C(=O)NCc1ccccc1)ncn2Cc1ccccc1
OC(=O)C1Cc2c(CN1C(=O)CC(c1ccccc1)c1ccccc1)ncn2Cc1ccccc1
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)\C=C/c2ccccc2)cc1C
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C2(CCCCC2)c2ccccc2)cc1C
OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1cccnc1
CN(C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O)c1ccccc1
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1F
OC(=O)C1Cc2c(CN1S(=O)(=O)Cc1ccccc1)ncn2Cc1ccccc1
COc1ccc(cc1)C(C(=O)N1Cc2ncn(Cc3ccc(OC)c(C)c3)c2C[C@H]1C(O)=O)c1ccc(OC)cc1
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(C2CCCC2)c2ccccc2)cc1C
OC(=O)C1Cc2c(CN1C(=O)Oc1ccccc1)ncn2Cc1ccccc1
Cc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
Cc1cc(Cn2cnc3CN(C(CO)Cc23)C(=O)C(c2ccccc2)c2ccccc2)ccc1[N+]([O-])=O
OC(=O)C1Cc2c(CN1C(=O)CCc1ccccc1)ncn2Cc1ccccc1
OC(=O)C1Cc2c(CN1C(=O)c1cccc3ccccc13)ncn2Cc1ccccc1
CN(C)c1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(Cc2ccccc2)c2ccccc2)cc1C
COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(C)(c2ccccc2)c2ccccc2)cc1C
COC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccccc1
CCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(F)(F)F
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1NC(=O)C(F)(F)F
CCCCc1nc(Br)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1Cc1nnn[nH]1
CCCCc1ncc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1[nH]nnc1C#N
OCc1c(Cl)nc(-c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cc(OC)ccc1-c1nn[nH]n1
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(C2)(C3)OC(=O)NCc1c(Cl)nc(CCCC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,2:1:9:3.12.5,5:6:11:3.12.2|
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1c(OC)cccc1C(O)=O
CCCCc1nc(I)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1ncc(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccc(cc1)C(O)=O
CCCCc1nc(Cl)c(CNC(=O)NC(C)c2cccc3ccccc23)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(\C=N\NC2=NCCN2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:12|
CCCCc1nc(Cl)c(\C=N\NS(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1[nH]nnc1F
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CNC(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc(Cl)c(CNC(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cc(ccc1-c1nn[nH]n1)C#N
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(=O)NOC
CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccc(OC)cc1-c1nn[nH]n1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(=O)NS(=O)(=O)c1ccccc1
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccc(cc1)-c1nn[nH]n1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(N)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1occc1C(O)=O
CCCCc1nc(Cl)c(CN)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(I)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1n[nH]c(n1)C(F)(F)F
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1C(=O)NNS(=O)(=O)C(F)(F)F
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1C(=O)Nc1nn[nH]n1
CCCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(F)(F)F
CCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CNC(=O)NC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(=O)NOCc1ccccc1
CCCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)[N+]([O-])=O
CCCCc1nc(Br)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCc1nc(C)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CC\C=C\c1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cccc(C)c1C(O)=O
CCCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CNC(=O)Nc2cccc3ccccc23)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CNC(=O)OCC=C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(C(O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1[nH]nnc1C(=O)OC
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1cccc(c1)-c1nn[nH]n1
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(=O)NO
CCCCc1nc(Cl)c(CNC(=O)c2cc3c(OCC(O)CNC(C)C)cccc3[nH]2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(C(=O)N(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCCCc1nc(Cl)c(CNC(=O)OC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1nc(CO)c(Cl)n1Cc1cc(OC)c(c(OC)c1)-c1ccccc1C(O)=O |(-.28,-19.54,;.75,-18.39,;.29,-16.94,;1.33,-15.8,;.85,-14.33,;-.61,-13.84,;-.6,-12.3,;-1.84,-11.39,;-1.67,-9.87,;.87,-11.84,;1.35,-10.37,;1.77,-13.09,;3.31,-13.1,;4.07,-14.43,;5.61,-14.43,;6.37,-15.76,;7.91,-15.76,;8.69,-14.43,;5.58,-17.1,;4.04,-17.09,;3.27,-18.42,;1.73,-18.42,;3.29,-15.76,;6.35,-18.44,;5.58,-19.76,;6.35,-21.1,;7.89,-21.1,;8.66,-19.77,;7.89,-18.44,;9.22,-17.66,;10.39,-18.65,;9.48,-16.15,)|
CCCCc1nc(Cl)c(CO)n1Cc1cc(OC)c(c(OC)c1)-c1ccccc1C(O)=O |(1.34,-22.87,;2.39,-21.73,;1.91,-20.26,;2.95,-19.12,;2.48,-17.66,;1.01,-17.18,;1.03,-15.64,;-.21,-14.72,;2.5,-15.17,;2.97,-13.7,;4.49,-13.39,;3.39,-16.41,;4.93,-16.43,;5.7,-17.76,;7.23,-17.76,;7.99,-19.09,;9.53,-19.09,;10.31,-17.76,;7.22,-20.42,;5.68,-20.42,;4.9,-21.75,;3.36,-21.75,;4.91,-19.09,;7.99,-21.77,;7.21,-23.08,;7.96,-24.43,;9.5,-24.44,;10.29,-23.1,;9.52,-21.77,;10.83,-20.98,;12.02,-21.99,;11.11,-19.47,)|
CCCCc1ncc(\C=C(/CCc2cccs2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/C(C)c2ccccc2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2cccnc2)C(O)=O)n1Cc1ccccc1Cl
CCCCC(\C(=C/c1cnc(CCCC)n1Cc1ccccc1Cl)C(O)=O)c1cccs1
CCCCc1ncc(\C=C(/Cc2cc(OC)c(OC)c(OC)c2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(-c2cccc(c2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(CCCCCC(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C\C=C\C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(-c2ccc(cc2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(CCCCC(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2c[nH]cn2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(-c2ccccc2C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(CCC(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2ccccn2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(\C(O)=O)c2ccccc2)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2ccoc2)C(O)=O)n1Cc1ccccc1Cl
CCCC\C(=C/c1cnc(CCCC)n1Cc1ccccc1Cl)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccc(OC)c2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2ccc(O)cc2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/CCc2ccccc2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(\C(O)=O)c2ccc3ccccc3c2)n1Cc1ccccc1Cl
CCCCc1ncc(CCCC(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(\Cc2ccco2)C(O)=O)n1Cc1ccccc1Cl
CC(C)Cc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
CC\C=C\c1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1OC
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)S(N)(=O)=O
CCCCc1ncc(\C=C\C(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(=O)NCC(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1cnc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1C(F)(F)F
CCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cccc(Cl)c1Cl
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(CC(O)=O)cc1
CCCCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1[N+]([O-])=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cc(Cl)c(cc1Cl)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(Cl)c1
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(O)c1
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1[N+]([O-])=O
CCCc1cccc(\C=C(/Cc2cccs2)C(O)=O)c1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1CCc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2ccccc2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(O)c(C)c1
CCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(OC)c(C)c1
CCCCc1ncc(\C=C(/Cc2cccs2)C(N)=O)n1Cc1ccc(cc1)C(N)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(N)=O
CCCCc1ncc(\C=C(/Cc2cccs2)c2nn[nH]n2)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(\C(O)=O)C(C)(C)c2cccs2)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/CC2CCCS2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(=O)OCC)n1Cc1ccc(cc1)C(=O)OCC
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1C#N
CCCCc1ncc(C\C(=C\c2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(N)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cccc(c1)[N+]([O-])=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(c1)-c1ccccc1
CCCCc1ncc(\C=C(/Cc2cccs2)c2nn[nH]n2)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1-c1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1[N+]([O-])=O)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(=O)OCC
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cccc(c1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)c2nn[nH]n2)n1Cc1cccc(Cl)c1Cl
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1Cl)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cccc(OC)c1[N+]([O-])=O
CC(C)CCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)[N+]([O-])=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(I)cc1
CCCCc1ncc(\C=C(/Cc2cccs2)c2nn[nH]n2)n1Cc1ccccc1[N+]([O-])=O
CCCCc1ncc(\C=C(/CCc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)c2nn[nH]n2)n1Cc1ccccc1C(F)(F)F
CCCCc1ncc(CC(Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1C(O)=O
CCCCc1nc(Cc2cccs2)c(\C=C\C(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1Cl
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(=O)OC
CCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1[N+]([O-])=O
CCCCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cccc(OC)c1
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C#N
CCCC\C(=C/c1cnc(CCCC)n1Cc1ccc(cc1)C(O)=O)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(c1)C(O)=O
CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)-c1nn[nH]n1
CCCCc1nc(CCCC)n(Cc2ccc(cc2)-c2cnccc2-c2nnn[nH]2)n1
CCCCc1nc(CCCC)n(Cc2ccc(cc2)-c2ccncc2-c2nnn[nH]2)n1
CCCCc1nc(CCCC)n(Cc2ccc(cc2)-c2cccnc2-c2nnn[nH]2)n1
CCCCc1nc(CCCC)n(Cc2ccc(cc2)-c2ncccc2-c2nnn[nH]2)n1
CCCCc1nc(CCCC)n(Cc2ccc(cn2)-c2ccccc2-c2nnn[nH]2)n1
CCc1nc(C)c(C(=O)N(C)C)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CNC(=O)c1c(C)nc(C)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(CC)n(Cc2ccc3oc(c(Br)c3c2)-c2ccccc2NS(=O)(=O)C(F)(F)F)c1C(N)=O
CCCCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCNC(=O)c1c(nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F)C1CC1
CCNC(=O)c1c(C)nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(C2CC2)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCCc1nc(Cl)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCCc1nc(C)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCCc1nc(Cl)c(C(=O)NCC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCNC(=O)c1c(nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1C(O)=O)C1CC1
CCc1nc(Cl)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCCc1nc(C)c(C(=O)NCC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(c2c1)C(F)(F)F)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(cc2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(CC)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCNC(=O)c1c(Cl)nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(CC(C)C)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(Cl)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(C)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(C(C)C)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(C2CC2)c(C(=O)NCC(C)C)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCNC(=O)c1c(nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1-c1nn[nH]n1)C1CC1
CCCc1nc(C)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCc1nc(C)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CCCCc1nc(Cl)c(CO)n1Cc1ccc(s1)-c1ccccc1C(O)=O
CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)-c1ccoc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cnccc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ncccc1C(O)=O
CCCCc1nc(CO)c(Cl)n1Cc1ccc(o1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccoc1C(O)=O
CCCCc1nc(CO)c(Cl)n1Cc1ccc(s1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cccnc1C(O)=O
CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)-c1ncccc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccsc1C(O)=O
CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)-c1nc(C)sc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(o1)-c1ccccc1C(O)=O
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1nc(C)sc1C(O)=O
CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)-c1cccnc1C(O)=O
CCc1cc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2ncccc2n1
Cc1cc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)ccn1
Cc1cc(Sc2ccc(cc2)-c2ccccc2-c2nnn(n2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2n1
Cc1nc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2cc[nH]c2n1
Cc1nc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2ccccc2n1
Cc1cc(CCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Cc1cc(Sc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Cc1cc(SCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Cc1cc(c2ccccc2[n+]1[O-])S(=O)(=O)c1ccc(cc1)-c1ccccc1-c1nn[nH]n1