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276 SMILES Strings for Protein arginine N-methyltransferase 1

Compound NameSMILES String
BDBM45440 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
BDBM50009672 N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
BDBM50015234 NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1
BDBM50210461 NC(=N)c1ccc(\C=C\c2ccc(cc2)C(N)=N)cc1
BDBM50215479 CC(SC1c2ccccc2Oc2ccccc12)C(=O)NCCNC(=O)C(C)SC1c2ccccc2Oc2ccccc12 |w:25.28,1.0|
BDBM50388602 NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N |w:1.0,20.23|
BDBM50396980 CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50430056 Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
BDBM50443018 CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50443019 CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r,t:23|
BDBM50443020 CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50448483 Cc1cc(Nc2ccccc2NC(=O)c2cccc(Nc3ccnc4ccccc34)c2)nc(N)n1
BDBM50448484 Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1
BDBM50448485 Cc1cc(Nc2ccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)cc2)nc(N)n1
BDBM50448486 Cc1cc(Nc2ccccc2NC(=O)c2ccc(Nc3ccnc4ccccc34)cc2)nc(N)n1
BDBM50448487 Cc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)c2)nc(N)n1
BDBM50446401 Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S([O-])(=O)=O)ccc12)S([O-])(=O)=O
BDBM50010125 NC(=N)c1ccc(OCCCCCCCCCCOc2ccc(cc2)C(N)=N)cc1
BDBM153318 C1CN=C(N1)c1ccc2cc(\C=C\c3cc4ccc(cc4[nH]3)C3=NCCN3)[nH]c2c1 |c:2,t:25|
BDBM178103 CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
BDBM50261802 Cl.CNCCN(C)Cc1ccc(o1)-c1cccc(c1)C(F)(F)F
BDBM50261803 Cl.CNCCN(C)Cc1ccc(o1)-c1cccc(c1)C(=O)OC
BDBM50261804 Cl.CNCCN(C)Cc1ccc(o1)-c1cccc(OC(F)(F)F)c1
BDBM50261800 Cl.CNCCN(C)Cc1ccc(o1)-c1ccc(cc1)C(F)(F)F
BDBM50261798 Cl.CN(CCN)Cc1ccc(o1)-c1cccc(OC(F)(F)F)c1
BDBM50261799 Cl.CNCCN(C)Cc1ccc(o1)-c1ccc(OC(F)(F)F)cc1
BDBM50238541 COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
BDBM50245957 CCOC(=O)c1[n+]2CCc3ccccc3-c2cc2c3ccccc3c3ccccc3c12
BDBM50245958 NS(=O)(=O)c1ccc(CCNCc2ccc(OCC=C)cc2)cc1
BDBM50245959 CN(C)CCN(C)Cc1ccccc1Sc1cccc2ccccc12
BDBM50245971 C(NCc1cccc(OCc2ccccc2)c1)C1CCNCC1
BDBM50245972 Cc1ccc(cc1)-c1cc(CC(=O)c2c(O)cc(O)cc2O)n[nH]1
BDBM50245973 CN(C)CCNCc1ccccc1Sc1ccccc1Cl
BDBM50245994 CN(C)CCNC(=O)c1ccccc1Sc1ccccc1F
BDBM50245995 CN(C)CCNCc1ccccc1Sc1cccc2ccccc12
BDBM50245956 CN(C)CCNC(=O)c1ccccc1Sc1cccc2ccccc12
BDBM50243295 CNCCN(C)Cc1ccccc1Sc1ccccc1Cl
BDBM50245903 CN(C)CCN(C)Cc1ccccc1Sc1ccccc1Cl
BDBM50243294 CN(CCN)Cc1ccccc1Sc1ccccc1Cl
BDBM50245921 CN(C)CCN(C)Cc1ccccc1Sc1ccccc1
BDBM50245952 CN(C)CCNC(=O)c1ccccc1Sc1ccccc1
BDBM50245920 CN(C)CCNCc1ccccc1Sc1ccccc1F
BDBM50245922 CN(C)CCNCc1ccccc1Sc1ccccc1
BDBM50245918 CN(C)CCNC(=O)c1ccccc1Sc1ccccc1Cl
BDBM50245919 CN(C)CCN(C)Cc1ccccc1Sc1ccccc1F
BDBM50271657 COc1ccc(cc1C)-c1csc(Nc2ccc(O)c(c2)C(O)=O)n1
BDBM50470498 CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3ccccc3s2)cc1
BDBM50525222 CNCC(O)CN1CCc2c(Br)cccc2C1
BDBM50523489 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1CCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](C)C(N)=O |r|
BDBM50511921 CCC(=O)Nc1cccc(c1)-c1c[nH]cc1CN(C)CCN
BDBM50511923 CN(CCN)Cc1c[nH]cc1-c1cccc(NC(=O)C=C)c1
BDBM50506000 N[C@@H](CCN(CC#Cc1cccc(c1)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
BDBM50508569 CCCCOc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C(O)=O
BDBM50511922 CN(CCO)Cc1c[nH]cc1-c1cccc(NC(=O)C=C)c1
BDBM50506814 Brc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1C#N
BDBM50532859 Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
BDBM50529897 O[C@@H](CNC(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1 |r|
BDBM50530712 N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O |r|
BDBM50525201 CNC[C@@H](O)CN1CCc2c(C1)cccc2OCc1ccc(cc1)-c1nccs1 |r|
BDBM50502498 [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2C3=NCC(O)N3C=Nc12)[C@H](O)c1ccc(Cl)cc1 |r,c:20,t:13|
BDBM50518448 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)C(CCCNC(=N)CCl)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCC#C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O |r|
BDBM50544161 CNCCN(C)Cc1nnnn1-c1ccc(OC(C)C)cc1
BDBM50544162 CNCCN(C)Cc1nnnn1-c1ccc(OC(F)(F)F)cc1
BDBM50544163 CNCCN(C)Cc1nnnn1-c1ccc(OCC(F)(F)F)cc1
BDBM50544164 CC(C)Oc1ccc(cc1)-n1nnnc1CN(C)CCN
BDBM50544165 CC(C)Oc1ccc(cc1)-n1nnnc1CN1CCN(CCN)CC1
BDBM502032 CNCCN(C)Cc1nn2CCCc2c1C1CCC2(CNC(=O)C2)CC1 |(8.73,-.98,;7.39,-.21,;6.06,-.98,;4.73,-.21,;3.39,-.98,;3.39,-2.52,;2.06,-.21,;.72,-.98,;1.2,-2.44,;-.05,-3.35,;-.52,-4.81,;-2.06,-4.81,;-2.54,-3.35,;-1.29,-2.44,;-.82,-.98,;-2.15,-.21,;-3.48,-.98,;-4.82,-.21,;-4.82,1.33,;-4.82,2.87,;-6.28,3.35,;-7.19,2.1,;-8.73,2.1,;-6.28,.86,;-3.48,2.1,;-2.15,1.33,)|
BDBM502033 CNCCN(C)Cc1nn2CCCc2c1C1CCC2(CCN(Cc3ccccc3)C2=O)CC1 |(7.96,-2.85,;6.62,-2.08,;5.29,-2.85,;3.96,-2.08,;2.62,-2.85,;2.62,-4.39,;1.29,-2.08,;-.05,-2.85,;.43,-4.32,;-.82,-5.22,;-1.29,-6.69,;-2.83,-6.69,;-3.31,-5.22,;-2.06,-4.32,;-1.59,-2.85,;-2.92,-2.08,;-4.25,-2.85,;-5.59,-2.08,;-5.59,-.54,;-7.05,-1.02,;-7.96,.23,;-7.05,1.47,;-7.53,2.94,;-6.5,4.08,;-4.99,3.76,;-3.96,4.9,;-4.44,6.37,;-5.94,6.69,;-6.97,5.54,;-5.59,1,;-4.34,1.9,;-4.25,.23,;-2.92,-.54,)|
BDBM502034 CNCCN(C)Cc1nn2CCOCc2c1C1CCC2(CCNC2=O)CC1 |(7.96,-.63,;6.62,.14,;5.29,-.63,;3.96,.14,;2.62,-.63,;2.62,-2.17,;1.29,.14,;-.05,-.63,;.43,-2.1,;-.82,-3,;-.98,-4.53,;-2.38,-5.16,;-3.63,-4.25,;-3.47,-2.72,;-2.06,-2.1,;-1.59,-.63,;-2.92,.14,;-4.25,-.63,;-5.59,.14,;-5.59,1.68,;-7.05,1.2,;-7.96,2.45,;-7.05,3.69,;-5.59,3.22,;-4.34,4.12,;-4.25,2.45,;-2.92,1.68,)|
BDBM502035 CNCCN(C)Cc1nn2CCOCc2c1C1CCC2(CCN(CC(C)C)C2=O)CC1 |(7.96,-1.94,;6.62,-1.17,;5.29,-1.94,;3.96,-1.17,;2.62,-1.94,;2.62,-3.48,;1.29,-1.17,;-.05,-1.94,;.43,-3.4,;-.82,-4.31,;-.98,-5.84,;-2.38,-6.46,;-3.63,-5.56,;-3.47,-4.03,;-2.06,-3.4,;-1.59,-1.94,;-2.92,-1.17,;-4.25,-1.94,;-5.59,-1.17,;-5.59,.37,;-7.05,-.1,;-7.96,1.14,;-7.05,2.39,;-7.53,3.85,;-6.5,5,;-6.97,6.46,;-4.99,4.68,;-5.59,1.91,;-4.34,2.82,;-4.25,1.14,;-2.92,.37,)|
BDBM502036 CNCCN(C)Cc1nn2CCCc2c1C1CCC2(CCN(CC(C)C)C2=O)CC1 |(7.96,-2.28,;6.62,-1.51,;5.29,-2.28,;3.96,-1.51,;2.62,-2.28,;2.62,-3.82,;1.29,-1.51,;-.05,-2.28,;.43,-3.75,;-.82,-4.65,;-1.29,-6.12,;-2.83,-6.12,;-3.31,-4.65,;-2.06,-3.75,;-1.59,-2.28,;-2.92,-1.51,;-4.25,-2.28,;-5.59,-1.51,;-5.59,.03,;-7.05,-.45,;-7.96,.8,;-7.05,2.04,;-7.53,3.51,;-6.5,4.65,;-6.97,6.12,;-4.99,4.33,;-5.59,1.57,;-4.34,2.47,;-4.25,.8,;-2.92,.03,)|
BDBM502069 CCS(=O)(=O)C1CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCCc12 |r,wD:8.11,(-8.5,-3.52,;-8.03,-2.06,;-6.52,-1.74,;-6.84,-.23,;-6.2,-3.24,;-5.01,-1.42,;-4.54,.05,;-3.03,.37,;-2,-.78,;-2.48,-2.24,;-3.98,-2.56,;-.49,-.46,;.13,.95,;-.64,2.28,;.13,3.62,;-.64,4.95,;1.67,3.62,;2.44,2.28,;3.98,2.28,;4.75,.95,;1.66,.79,;1.98,-.72,;3.13,-1.75,;2.5,-3.15,;.97,-2.99,;.65,-1.49,)|
BDBM502070 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCN(C)C2=O)CC1 |r,wU:15.16,(7.96,-.98,;6.62,-.21,;5.29,-.98,;3.96,-.21,;2.62,-.98,;2.62,-2.52,;1.29,-.21,;-.05,-.98,;.43,-2.44,;-.82,-3.35,;-1.29,-4.81,;-2.83,-4.81,;-3.31,-3.35,;-2.06,-2.44,;-1.59,-.98,;-2.92,-.21,;-4.25,-.98,;-5.59,-.21,;-5.59,1.33,;-7.05,.86,;-7.96,2.1,;-7.05,3.35,;-7.53,4.81,;-5.59,2.87,;-4.34,3.78,;-4.25,2.1,;-2.92,1.33,)|
BDBM502071 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCN(C)C2=O)CC1 |r,wD:15.16,(7.96,-.98,;6.62,-.21,;5.29,-.98,;3.96,-.21,;2.62,-.98,;2.62,-2.52,;1.29,-.21,;-.05,-.98,;.43,-2.44,;-.82,-3.35,;-1.29,-4.81,;-2.83,-4.81,;-3.31,-3.35,;-2.06,-2.44,;-1.59,-.98,;-2.92,-.21,;-2.92,1.33,;-4.25,2.1,;-5.59,1.33,;-7.05,.86,;-7.96,2.1,;-7.05,3.35,;-7.53,4.81,;-5.59,2.87,;-4.34,3.78,;-5.59,-.21,;-4.25,-.98,)|
BDBM502072 CCOCC1(C)CCC(CC1)c1c(CN(C)CCNC)nn2CCCc12 |(-10.11,4.23,;-8.77,3.46,;-7.44,4.23,;-6.1,3.46,;-6.1,1.92,;-7.44,1.15,;-6.1,.38,;-4.77,-.39,;-3.44,.38,;-3.44,1.92,;-4.77,2.69,;-2.1,-.39,;-.56,-.39,;.77,.38,;2.1,-.39,;2.1,-1.93,;3.44,.38,;4.77,-.39,;6.1,.38,;7.44,-.39,;-.09,-1.86,;-1.33,-2.76,;-1.81,-4.23,;-3.35,-4.23,;-3.83,-2.76,;-2.58,-1.86,)|
BDBM502073 CCOCC1(C)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCCc12 |r,wD:8.11,(-10.11,4.23,;-8.77,3.46,;-7.44,4.23,;-6.1,3.46,;-6.1,1.92,;-7.44,1.15,;-4.77,2.69,;-3.44,1.92,;-3.44,.38,;-4.77,-.39,;-6.1,.38,;-2.1,-.39,;-.56,-.39,;.77,.38,;2.1,-.39,;2.1,-1.93,;3.44,.38,;4.77,-.39,;6.1,.38,;7.44,-.39,;-.09,-1.86,;-1.33,-2.76,;-1.81,-4.23,;-3.35,-4.23,;-3.83,-2.76,;-2.58,-1.86,)|
BDBM502074 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC(C)(COC)CC1 |r,wU:15.16,(7.44,-.39,;6.1,.38,;4.77,-.39,;3.44,.38,;2.1,-.39,;2.1,-1.93,;.77,.38,;-.56,-.39,;-.09,-1.86,;-1.33,-2.76,;-1.81,-4.23,;-3.35,-4.23,;-3.83,-2.76,;-2.58,-1.86,;-2.1,-.39,;-3.44,.38,;-4.77,-.39,;-6.1,.38,;-6.1,1.92,;-7.44,1.15,;-6.1,3.46,;-7.44,4.23,;-8.77,3.46,;-4.77,2.69,;-3.44,1.92,)|
BDBM502106 CNCCN(C)Cc1nn2CCOCc2c1C1CCC(COC)(COC)CC1
BDBM502135 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@@]2(CCCCO2)CC1 |r,wU:19.26,wD:16.17,(4.1,-4.57,;5.44,-3.8,;5.44,-2.26,;4.1,-1.49,;4.1,.05,;5.44,.82,;2.77,.82,;1.44,.05,;1.99,-1.39,;.79,-2.35,;.71,-3.89,;-.66,-4.59,;-1.95,-3.75,;-1.87,-2.21,;-.5,-1.52,;-.1,-.03,;-1.44,.74,;-1.44,2.28,;-2.77,3.05,;-4.1,2.28,;-4.1,3.82,;-5.44,4.59,;-6.77,3.82,;-6.77,2.28,;-5.44,1.51,;-4.1,.74,;-2.77,-.03,)|
BDBM502136 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1C1CCC(COC)(COC)CC1
BDBM502137 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CC[C@]2(CCCOC2)CC1 |r,wU:15.16,wD:18.19,(4.1,-4.58,;5.44,-3.81,;5.44,-2.27,;4.1,-1.5,;4.1,.04,;5.44,.81,;2.77,.81,;1.44,.04,;1.99,-1.4,;.79,-2.37,;.39,-3.85,;-1.15,-3.93,;-1.7,-2.5,;-.5,-1.53,;-.1,-.04,;-1.44,.73,;-2.77,-.04,;-4.1,.73,;-4.1,2.27,;-4.1,3.81,;-5.44,4.58,;-6.77,3.81,;-6.77,2.27,;-5.44,1.5,;-2.77,3.04,;-1.44,2.27,)|
BDBM502138 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CC[C@@]2(CCCOC2)CC1 |r,wD:18.26,15.16,(4.1,-4.58,;5.44,-3.81,;5.44,-2.27,;4.1,-1.5,;4.1,.04,;5.44,.81,;2.77,.81,;1.44,.04,;1.99,-1.4,;.79,-2.37,;.39,-3.85,;-1.15,-3.93,;-1.7,-2.5,;-.5,-1.53,;-.1,-.04,;-1.44,.73,;-1.44,2.27,;-2.77,3.04,;-4.1,2.27,;-4.1,3.81,;-5.44,4.58,;-6.77,3.81,;-6.77,2.27,;-5.44,1.5,;-4.1,.73,;-2.77,-.04,)|
BDBM502139 CC[C@]1(COCC(F)(F)F)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCCc12 |r,wU:12.15,2.1,wD:2.2,(-7.44,-1.03,;-7.44,.51,;-6.1,1.28,;-6.1,2.82,;-4.77,3.59,;-3.44,2.82,;-2.1,3.59,;-.77,4.36,;-1.33,2.26,;-2.87,4.92,;-6.1,-.26,;-4.77,-1.03,;-3.44,-.26,;-3.44,1.28,;-4.77,2.05,;-2.1,-1.03,;-.56,-.95,;.77,-.18,;2.1,-.95,;2.1,-2.49,;3.44,-.18,;4.77,-.95,;6.1,-.18,;7.44,-.95,;-.01,-2.39,;-1.21,-3.36,;-1.61,-4.84,;-3.15,-4.92,;-3.7,-3.49,;-2.5,-2.52,)|
BDBM502140 CC[C@@]1(COCC(F)(F)F)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCCc12 |r,wU:2.1,wD:12.15,2.2,(-7.44,-1.03,;-7.44,.51,;-6.1,1.28,;-6.1,2.82,;-4.77,3.59,;-3.44,2.82,;-2.1,3.59,;-.77,4.36,;-1.33,2.26,;-2.87,4.92,;-4.77,2.05,;-3.44,1.28,;-3.44,-.26,;-4.77,-1.03,;-6.1,-.26,;-2.1,-1.03,;-.56,-.95,;.77,-.18,;2.1,-.95,;2.1,-2.49,;3.44,-.18,;4.77,-.95,;6.1,-.18,;7.44,-.95,;-.01,-2.39,;-1.21,-3.36,;-1.61,-4.84,;-3.15,-4.92,;-3.7,-3.49,;-2.5,-2.52,)|
BDBM502075 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC(C)(COC)CC1 |r,wD:15.16,(7.44,-.39,;6.1,.38,;4.77,-.39,;3.44,.38,;2.1,-.39,;2.1,-1.93,;.77,.38,;-.56,-.39,;-.09,-1.86,;-1.33,-2.76,;-1.81,-4.23,;-3.35,-4.23,;-3.83,-2.76,;-2.58,-1.86,;-2.1,-.39,;-3.44,.38,;-3.44,1.92,;-4.77,2.69,;-6.1,1.92,;-7.44,1.15,;-6.1,3.46,;-7.44,4.23,;-8.77,3.46,;-6.1,.38,;-4.77,-.39,)|
BDBM502076 CCC1(COC)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCCc12 |r,wU:8.11,(-8.11,1.92,;-6.77,1.15,;-5.44,1.92,;-5.44,3.46,;-4.1,4.23,;-2.77,3.46,;-5.44,.38,;-4.1,-.39,;-2.77,.38,;-2.77,1.92,;-4.1,2.69,;-1.44,-.39,;.1,-.39,;1.44,.38,;2.77,-.39,;2.77,-1.93,;4.1,.38,;5.44,-.39,;6.77,.38,;8.11,-.39,;.58,-1.86,;-.67,-2.76,;-1.14,-4.23,;-2.68,-4.23,;-3.16,-2.76,;-1.91,-1.86,)|
BDBM502077 CCC1(COC)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCCc12 |r,wD:8.11,(-8.11,1.92,;-6.77,1.15,;-5.44,1.92,;-5.44,3.46,;-4.1,4.23,;-2.77,3.46,;-4.1,2.69,;-2.77,1.92,;-2.77,.38,;-4.1,-.39,;-5.44,.38,;-1.44,-.39,;.1,-.39,;1.44,.38,;2.77,-.39,;2.77,-1.93,;4.1,.38,;5.44,-.39,;6.77,.38,;8.11,-.39,;.58,-1.86,;-.67,-2.76,;-1.14,-4.23,;-2.68,-4.23,;-3.16,-2.76,;-1.91,-1.86,)|
BDBM502078 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CCC2(CCN(Cc3ccccc3)C2=O)CC1 |r,wU:17.18,(7.96,-2.08,;6.62,-1.31,;5.29,-2.08,;3.96,-1.31,;2.62,-2.08,;2.62,-3.62,;1.29,-1.31,;-.05,-2.08,;.43,-3.55,;-.82,-4.45,;-1.29,-5.92,;-2.83,-5.92,;-2.83,-7.46,;-4.17,-6.69,;-3.31,-4.45,;-2.06,-3.55,;-1.59,-2.08,;-2.92,-1.31,;-4.25,-2.08,;-5.59,-1.31,;-5.59,.23,;-7.05,-.25,;-7.96,1,;-7.05,2.24,;-7.53,3.71,;-6.5,4.85,;-4.99,4.53,;-3.96,5.67,;-4.44,7.14,;-5.94,7.46,;-6.97,6.31,;-5.59,1.77,;-4.34,2.67,;-4.25,1,;-2.92,.23,)|
BDBM502079 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CCC2(CCN(Cc3ccccc3)C2=O)CC1 |r,wD:17.18,(7.96,-2.08,;6.62,-1.31,;5.29,-2.08,;3.96,-1.31,;2.62,-2.08,;2.62,-3.62,;1.29,-1.31,;-.05,-2.08,;.43,-3.55,;-.82,-4.45,;-1.29,-5.92,;-2.83,-5.92,;-2.83,-7.46,;-4.17,-6.69,;-3.31,-4.45,;-2.06,-3.55,;-1.59,-2.08,;-2.92,-1.31,;-2.92,.23,;-4.25,1,;-5.59,.23,;-7.05,-.25,;-7.96,1,;-7.05,2.24,;-7.53,3.71,;-6.5,4.85,;-4.99,4.53,;-3.96,5.67,;-4.44,7.14,;-5.94,7.46,;-6.97,6.31,;-5.59,1.77,;-4.34,2.67,;-5.59,-1.31,;-4.25,-2.08,)|
BDBM502109 CCOC[C@@]1(CCC(F)(F)F)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CC(F)(F)Cc12 |r,wU:13.16,4.4,wD:4.3,(-6.1,6.58,;-6.1,8.12,;-7.44,8.89,;-7.44,10.43,;-6.1,11.2,;-6.1,12.74,;-4.77,13.51,;-4.77,15.05,;-3.23,15.05,;-6.31,15.05,;-4.77,16.59,;-6.1,9.66,;-4.77,8.89,;-3.44,9.66,;-3.44,11.2,;-4.77,11.97,;-2.1,8.89,;-.56,8.97,;.77,9.74,;2.1,8.97,;2.1,7.43,;3.44,9.74,;4.77,8.97,;6.1,9.74,;7.44,8.97,;-.01,7.54,;-1.21,6.57,;-1.61,5.08,;-3.15,5,;-3.15,3.46,;-4.48,4.23,;-3.7,6.44,;-2.5,7.41,)|
BDBM502110 CCOC[C@]1(CCC(F)(F)F)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CC(F)(F)Cc12 |r,wU:4.4,wD:13.16,4.3,(-6.1,6.58,;-6.1,8.12,;-7.44,8.89,;-7.44,10.43,;-6.1,11.2,;-6.1,12.74,;-4.77,13.51,;-4.77,15.05,;-3.23,15.05,;-6.31,15.05,;-4.77,16.59,;-4.77,11.97,;-3.44,11.2,;-3.44,9.66,;-4.77,8.89,;-6.1,9.66,;-2.1,8.89,;-.56,8.97,;.77,9.74,;2.1,8.97,;2.1,7.43,;3.44,9.74,;4.77,8.97,;6.1,9.74,;7.44,8.97,;-.01,7.54,;-1.21,6.57,;-1.61,5.08,;-3.15,5,;-3.15,3.46,;-4.48,4.23,;-3.7,6.44,;-2.5,7.41,)|
BDBM502141 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1C1CCC(COCC(F)(F)F)(COCC(F)(F)F)CC1
BDBM502142 CC[C@]1(COCC(F)(F)F)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CC(F)(F)Cc12 |r,wU:12.15,2.1,wD:2.2,(-7.44,-.26,;-7.44,1.28,;-6.1,2.05,;-6.1,3.59,;-4.77,4.36,;-3.44,3.59,;-2.1,4.36,;-.77,5.13,;-1.33,3.03,;-2.87,5.69,;-6.1,.51,;-4.77,-.26,;-3.44,.51,;-3.44,2.05,;-4.77,2.82,;-2.1,-.26,;-.56,-.18,;.77,.59,;2.1,-.18,;2.1,-1.72,;3.44,.59,;4.77,-.18,;6.1,.59,;7.44,-.18,;-.01,-1.62,;-1.21,-2.59,;-1.61,-4.07,;-3.15,-4.15,;-3.15,-5.69,;-4.48,-4.92,;-3.7,-2.72,;-2.5,-1.75,)|
BDBM502143 CC[C@@]1(COCC(F)(F)F)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CC(F)(F)Cc12 |r,wU:2.1,wD:12.15,2.2,(-7.44,-.26,;-7.44,1.28,;-6.1,2.05,;-6.1,3.59,;-4.77,4.36,;-3.44,3.59,;-2.1,4.36,;-.77,5.13,;-1.33,3.03,;-2.87,5.69,;-4.77,2.82,;-3.44,2.05,;-3.44,.51,;-4.77,-.26,;-6.1,.51,;-2.1,-.26,;-.56,-.18,;.77,.59,;2.1,-.18,;2.1,-1.72,;3.44,.59,;4.77,-.18,;6.1,.59,;7.44,-.18,;-.01,-1.62,;-1.21,-2.59,;-1.61,-4.07,;-3.15,-4.15,;-3.15,-5.69,;-4.48,-4.92,;-3.7,-2.72,;-2.5,-1.75,)|
BDBM502144 CCOC[C@@]1(CCC(F)(F)F)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCOCc12 |r,wU:13.16,4.4,wD:4.3,(-6.1,-2.62,;-6.1,-1.08,;-7.44,-.31,;-7.44,1.23,;-6.1,2,;-6.1,3.54,;-4.77,4.31,;-4.77,5.85,;-3.23,5.85,;-6.31,5.85,;-4.77,7.39,;-6.1,.46,;-4.77,-.31,;-3.44,.46,;-3.44,2,;-4.77,2.77,;-2.1,-.31,;-.56,-.23,;.77,.54,;2.1,-.23,;2.1,-1.77,;3.44,.54,;4.77,-.23,;6.1,.54,;7.44,-.23,;-.01,-1.67,;-1.21,-2.64,;-1.29,-4.17,;-2.66,-4.87,;-3.95,-4.03,;-3.87,-2.5,;-2.5,-1.8,)|
BDBM502145 CCOC[C@]1(CCC(F)(F)F)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCOCc12 |r,wU:4.4,wD:13.16,4.3,(-6.1,-2.62,;-6.1,-1.08,;-7.44,-.31,;-7.44,1.23,;-6.1,2,;-6.1,3.54,;-4.77,4.31,;-4.77,5.85,;-3.23,5.85,;-6.31,5.85,;-4.77,7.39,;-4.77,2.77,;-3.44,2,;-3.44,.46,;-4.77,-.31,;-6.1,.46,;-2.1,-.31,;-.56,-.23,;.77,.54,;2.1,-.23,;2.1,-1.77,;3.44,.54,;4.77,-.23,;6.1,.54,;7.44,-.23,;-.01,-1.67,;-1.21,-2.64,;-1.29,-4.17,;-2.66,-4.87,;-3.95,-4.03,;-3.87,-2.5,;-2.5,-1.8,)|
BDBM502002 CCOC[C@@]1(CC)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCCc12 |r,wU:4.3,wD:4.4,9.12,(-1.44,13.14,;-2.77,12.37,;-4.1,13.14,;-5.44,12.37,;-5.44,10.83,;-6.77,10.06,;-8.1,10.83,;-4.1,11.6,;-2.77,10.83,;-2.77,9.29,;-4.1,8.52,;-5.44,9.29,;-1.44,8.52,;.1,8.6,;1.44,9.37,;2.77,8.6,;2.77,7.06,;4.1,9.37,;5.44,8.6,;6.77,9.37,;8.1,8.6,;.65,7.16,;-.54,6.19,;-.94,4.7,;-2.48,4.62,;-3.03,6.06,;-1.83,7.03,)|
BDBM502003 CCOC[C@]1(CC)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCCc12 |r,wU:4.3,9.12,wD:4.4,(-1.44,13.14,;-2.77,12.37,;-4.1,13.14,;-5.44,12.37,;-5.44,10.83,;-6.77,10.06,;-8.1,10.83,;-5.44,9.29,;-4.1,8.52,;-2.77,9.29,;-2.77,10.83,;-4.1,11.6,;-1.44,8.52,;.1,8.6,;1.44,9.37,;2.77,8.6,;2.77,7.06,;4.1,9.37,;5.44,8.6,;6.77,9.37,;8.1,8.6,;.65,7.16,;-.54,6.19,;-.94,4.7,;-2.48,4.62,;-3.03,6.06,;-1.83,7.03,)|
BDBM502004 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nn2CCCc12
BDBM502005 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CC[C@@]2(CC(C)(C)CO2)CC1 |r,wU:15.16,wD:18.26,(8.05,5.22,;6.71,5.99,;5.38,5.22,;4.05,5.99,;2.71,5.22,;2.71,3.68,;1.38,5.99,;.05,5.22,;.6,3.78,;-.6,2.81,;-1,1.33,;-2.54,1.25,;-3.09,2.68,;-1.89,3.65,;-1.49,5.14,;-2.83,5.91,;-4.16,5.14,;-5.49,5.91,;-5.49,7.45,;-5.49,8.99,;-6.96,9.47,;-8.05,10.56,;-6.56,10.95,;-7.86,8.22,;-6.96,6.97,;-4.16,8.22,;-2.83,7.45,)|
BDBM502037 CNCCN(C)Cc1nn2CCOCc2c1C1CCC2(CCN(C)C2=O)CC1 |(7.96,-.63,;6.62,.14,;5.29,-.63,;3.96,.14,;2.62,-.63,;2.62,-2.17,;1.29,.14,;-.05,-.63,;.43,-2.1,;-.82,-3,;-.98,-4.53,;-2.38,-5.16,;-3.63,-4.25,;-3.47,-2.72,;-2.06,-2.1,;-1.59,-.63,;-2.92,.14,;-4.25,-.63,;-5.59,.14,;-5.59,1.68,;-7.05,1.2,;-7.96,2.45,;-7.05,3.69,;-7.53,5.16,;-5.59,3.22,;-4.34,4.12,;-4.25,2.45,;-2.92,1.68,)|
BDBM502038 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nc2CCOCn12
BDBM502039 CNCCN(C)Cc1nn2CCCc2c1C1CCC2(CCN(C)C2=O)CC1 |(7.96,-.98,;6.62,-.21,;5.29,-.98,;3.96,-.21,;2.62,-.98,;2.62,-2.52,;1.29,-.21,;-.05,-.98,;.43,-2.44,;-.82,-3.35,;-1.29,-4.81,;-2.83,-4.81,;-3.31,-3.35,;-2.06,-2.44,;-1.59,-.98,;-2.92,-.21,;-4.25,-.98,;-5.59,-.21,;-5.59,1.33,;-7.05,.86,;-7.96,2.1,;-7.05,3.35,;-7.53,4.81,;-5.59,2.87,;-4.34,3.78,;-4.25,2.1,;-2.92,1.33,)|
BDBM502040 CNCCN(C)Cc1nn2CCCc2c1C1CCC(COC)(COC)CC1
BDBM502041 CNCCN(C)Cc1nn2CCCCc2c1C1CCC(COC)(COC)CC1
BDBM502042 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nc2COCCn12
BDBM502006 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CC[C@]2(CC(C)(C)CO2)CC1 |r,wD:15.16,18.26,(8.05,5.22,;6.71,5.99,;5.38,5.22,;4.05,5.99,;2.71,5.22,;2.71,3.68,;1.38,5.99,;.05,5.22,;.6,3.78,;-.6,2.81,;-1,1.33,;-2.54,1.25,;-3.09,2.68,;-1.89,3.65,;-1.49,5.14,;-2.83,5.91,;-2.83,7.45,;-4.16,8.22,;-5.49,7.45,;-5.49,8.99,;-6.96,9.47,;-8.05,10.56,;-6.56,10.95,;-7.86,8.22,;-6.96,6.97,;-5.49,5.91,;-4.16,5.14,)|
BDBM502007 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nn2CC(F)(F)Cc12
BDBM502008 CCOCC1(CC)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CC(F)(F)Cc12 |r,wU:9.12,(-1.48,5,;-2.81,4.23,;-4.15,5,;-5.48,4.23,;-5.48,2.69,;-6.57,1.6,;-8.06,2,;-5.48,1.15,;-4.15,.38,;-2.81,1.15,;-2.81,2.69,;-4.15,3.46,;-1.48,.38,;.06,.46,;1.39,1.23,;2.72,.46,;2.72,-1.08,;4.06,1.23,;5.39,.46,;6.73,1.23,;8.06,.46,;.61,-.98,;-.59,-1.95,;-.99,-3.43,;-2.52,-3.51,;-2.92,-5,;-4.01,-3.91,;-3.08,-2.08,;-1.88,-1.11,)|
BDBM502009 CCOCC1(CC)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CC(F)(F)Cc12 |r,wD:9.12,(-1.48,5,;-2.81,4.23,;-4.15,5,;-5.48,4.23,;-5.48,2.69,;-6.57,1.6,;-8.06,2,;-4.15,3.46,;-2.81,2.69,;-2.81,1.15,;-4.15,.38,;-5.48,1.15,;-1.48,.38,;.06,.46,;1.39,1.23,;2.72,.46,;2.72,-1.08,;4.06,1.23,;5.39,.46,;6.73,1.23,;8.06,.46,;.61,-.98,;-.59,-1.95,;-.99,-3.43,;-2.52,-3.51,;-2.92,-5,;-4.01,-3.91,;-3.08,-2.08,;-1.88,-1.11,)|
BDBM502010 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@@](C)(COC)CC1 |r,wU:20.23,17.18,wD:20.22,(7.44,7.29,;6.1,8.06,;4.77,7.29,;3.44,8.06,;2.1,7.29,;2.1,5.75,;.77,8.06,;-.56,7.29,;-.01,5.85,;-1.21,4.88,;-1.61,3.4,;-3.15,3.32,;-3.15,1.78,;-4.48,2.55,;-3.7,4.75,;-2.5,5.72,;-2.1,7.21,;-3.44,7.98,;-4.77,7.21,;-6.1,7.98,;-6.1,9.52,;-7.44,8.75,;-6.1,11.06,;-4.77,11.83,;-3.44,11.06,;-4.77,10.29,;-3.44,9.52,)|
BDBM502011 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@](C)(COC)CC1 |r,wU:20.23,wD:20.22,17.18,(7.44,7.29,;6.1,8.06,;4.77,7.29,;3.44,8.06,;2.1,7.29,;2.1,5.75,;.77,8.06,;-.56,7.29,;-.01,5.85,;-1.21,4.88,;-1.61,3.4,;-3.15,3.32,;-3.15,1.78,;-4.48,2.55,;-3.7,4.75,;-2.5,5.72,;-2.1,7.21,;-3.44,7.98,;-3.44,9.52,;-4.77,10.29,;-6.1,9.52,;-7.44,8.75,;-6.1,11.06,;-4.77,11.83,;-3.44,11.06,;-6.1,7.98,;-4.77,7.21,)|
BDBM502043 CCN1CCC2(CCC(CC2)c2c(CN(C)CCNC)nn3CCCc23)C1=O |(-6.5,5.38,;-7.53,4.24,;-7.05,2.78,;-7.96,1.53,;-7.05,.28,;-5.59,.76,;-5.59,-.78,;-4.25,-1.55,;-2.92,-.78,;-2.92,.76,;-4.25,1.53,;-1.59,-1.55,;-.05,-1.55,;1.29,-.78,;2.62,-1.55,;2.62,-3.09,;3.96,-.78,;5.29,-1.55,;6.62,-.78,;7.96,-1.55,;.43,-3.01,;-.82,-3.92,;-1.29,-5.38,;-2.83,-5.38,;-3.31,-3.92,;-2.06,-3.01,;-5.59,2.3,;-4.34,3.2,)|
BDBM502044 CCN1CCC2(CCC(CC2)c2c(CN(C)CCNC)nn3CCOCc23)C1=O |(-6.5,5.73,;-7.53,4.59,;-7.05,3.12,;-7.96,1.88,;-7.05,.63,;-5.59,1.11,;-5.59,-.43,;-4.25,-1.2,;-2.92,-.43,;-2.92,1.11,;-4.25,1.88,;-1.59,-1.2,;-.05,-1.2,;1.29,-.43,;2.62,-1.2,;2.62,-2.74,;3.96,-.43,;5.29,-1.2,;6.62,-.43,;7.96,-1.2,;.43,-2.67,;-.82,-3.57,;-.98,-5.1,;-2.38,-5.73,;-3.63,-4.83,;-3.47,-3.29,;-2.06,-2.67,;-5.59,2.65,;-4.34,3.55,)|
BDBM502045 CNCCN(C)Cc1nn2CCCc2c1C1CCC2(CCN(C(C)C)C2=O)CC1 |(8.5,-1.55,;7.16,-.78,;5.83,-1.55,;4.49,-.78,;3.16,-1.55,;3.16,-3.09,;1.83,-.78,;.49,-1.55,;.97,-3.01,;-.28,-3.92,;-.75,-5.38,;-2.29,-5.38,;-2.77,-3.92,;-1.52,-3.01,;-1.05,-1.55,;-2.38,-.78,;-3.71,-1.55,;-5.05,-.78,;-5.05,.76,;-6.51,.28,;-7.42,1.53,;-6.51,2.78,;-6.99,4.24,;-5.96,5.38,;-8.5,4.56,;-5.05,2.3,;-3.8,3.2,;-3.71,1.53,;-2.38,.76,)|
BDBM502046 CNCCN(C)Cc1nn2CCCc2c1C1CCC2(CCN(CCOC)C2=O)CC1 |(7.96,-2.85,;6.62,-2.08,;5.29,-2.85,;3.96,-2.08,;2.62,-2.85,;2.62,-4.39,;1.29,-2.08,;-.05,-2.85,;.43,-4.32,;-.82,-5.22,;-1.29,-6.69,;-2.83,-6.69,;-3.31,-5.22,;-2.06,-4.32,;-1.59,-2.85,;-2.92,-2.08,;-4.25,-2.85,;-5.59,-2.08,;-5.59,-.54,;-7.05,-1.02,;-7.96,.23,;-7.05,1.47,;-7.53,2.94,;-6.5,4.08,;-6.97,5.54,;-5.94,6.69,;-5.59,1,;-4.34,1.9,;-4.25,.23,;-2.92,-.54,)|
BDBM502047 CNCCN(C)Cc1nn2CCOCc2c1C1CCC2(CCN(CCOC)C2=O)CC1 |(7.96,-2.51,;6.62,-1.74,;5.29,-2.51,;3.96,-1.74,;2.62,-2.51,;2.62,-4.05,;1.29,-1.74,;-.05,-2.51,;.43,-3.97,;-.82,-4.88,;-.98,-6.41,;-2.38,-7.04,;-3.63,-6.13,;-3.47,-4.6,;-2.06,-3.97,;-1.59,-2.51,;-2.92,-1.74,;-4.25,-2.51,;-5.59,-1.74,;-5.59,-.2,;-7.05,-.67,;-7.96,.57,;-7.05,1.82,;-7.53,3.28,;-6.5,4.43,;-6.97,5.89,;-5.94,7.04,;-5.59,1.34,;-4.34,2.25,;-4.25,.57,;-2.92,-.2,)|
BDBM502080 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCC(=O)N2)CC1 |r,wU:15.16,(7.96,-.98,;6.62,-.21,;5.29,-.98,;3.96,-.21,;2.62,-.98,;2.62,-2.52,;1.29,-.21,;-.05,-.98,;.43,-2.44,;-.82,-3.35,;-1.29,-4.81,;-2.83,-4.81,;-3.31,-3.35,;-2.06,-2.44,;-1.59,-.98,;-2.92,-.21,;-4.25,-.98,;-5.59,-.21,;-5.59,1.33,;-7.05,.86,;-7.96,2.1,;-7.05,3.35,;-7.53,4.81,;-5.59,2.87,;-4.25,2.1,;-2.92,1.33,)|
BDBM502081 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCC(=O)N2)CC1 |r,wD:15.16,(7.96,-.98,;6.62,-.21,;5.29,-.98,;3.96,-.21,;2.62,-.98,;2.62,-2.52,;1.29,-.21,;-.05,-.98,;.43,-2.44,;-.82,-3.35,;-1.29,-4.81,;-2.83,-4.81,;-3.31,-3.35,;-2.06,-2.44,;-1.59,-.98,;-2.92,-.21,;-2.92,1.33,;-4.25,2.1,;-5.59,1.33,;-7.05,.86,;-7.96,2.1,;-7.05,3.35,;-7.53,4.81,;-5.59,2.87,;-5.59,-.21,;-4.25,-.98,)|
BDBM502082 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CCC2(CC(C)(C)CO2)CC1 |r,wU:16.17,(8.05,-.64,;6.71,.13,;5.38,-.64,;4.05,.13,;2.71,-.64,;2.71,-2.18,;1.38,.13,;.05,-.64,;.52,-2.11,;-.72,-3.01,;-.88,-4.54,;-2.29,-5.17,;-3.54,-4.27,;-3.38,-2.73,;-1.97,-2.11,;-1.49,-.64,;-2.83,.13,;-4.16,-.64,;-5.49,.13,;-5.49,1.67,;-5.49,3.21,;-6.96,3.68,;-8.05,4.77,;-6.56,5.17,;-7.86,2.44,;-6.96,1.19,;-4.16,2.44,;-2.83,1.67,)|
BDBM502083 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CCC2(CC(C)(C)CO2)CC1 |r,wD:16.17,(8.05,-.64,;6.71,.13,;5.38,-.64,;4.05,.13,;2.71,-.64,;2.71,-2.18,;1.38,.13,;.05,-.64,;.52,-2.11,;-.72,-3.01,;-.88,-4.54,;-2.29,-5.17,;-3.54,-4.27,;-3.38,-2.73,;-1.97,-2.11,;-1.49,-.64,;-2.83,.13,;-2.83,1.67,;-4.16,2.44,;-5.49,1.67,;-5.49,3.21,;-6.96,3.68,;-8.05,4.77,;-6.56,5.17,;-7.86,2.44,;-6.96,1.19,;-5.49,.13,;-4.16,-.64,)|
BDBM502084 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCCO2)CC1 |r,wU:15.16,(7.96,-.25,;6.62,.52,;5.29,-.25,;3.96,.52,;2.62,-.25,;2.62,-1.79,;1.29,.52,;-.05,-.25,;.43,-1.71,;-.82,-2.62,;-1.29,-4.08,;-2.83,-4.08,;-3.31,-2.62,;-2.06,-1.71,;-1.59,-.25,;-2.92,.52,;-4.25,-.25,;-5.59,.52,;-5.59,2.06,;-5.59,3.6,;-7.05,4.08,;-7.96,2.83,;-7.05,1.59,;-4.25,2.83,;-2.92,2.06,)|
BDBM502085 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCCO2)CC1 |r,wD:15.16,(7.96,-.25,;6.62,.52,;5.29,-.25,;3.96,.52,;2.62,-.25,;2.62,-1.79,;1.29,.52,;-.05,-.25,;.43,-1.71,;-.82,-2.62,;-1.29,-4.08,;-2.83,-4.08,;-3.31,-2.62,;-2.06,-1.71,;-1.59,-.25,;-2.92,.52,;-2.92,2.06,;-4.25,2.83,;-5.59,2.06,;-5.59,3.6,;-7.05,4.08,;-7.96,2.83,;-7.05,1.59,;-5.59,.52,;-4.25,-.25,)|
BDBM502111 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nn2CC3(CC3)Cc12
BDBM502112 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nn2CCC(F)(F)Cc12
BDBM502113 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@@]2(CC1)CCC(C)(C)OC2 |r,wU:17.18,wD:20.21,(8.87,7.94,;7.54,8.71,;6.21,7.94,;4.87,8.71,;3.54,7.94,;3.54,6.4,;2.21,8.71,;.87,7.94,;1.42,6.5,;.23,5.53,;-.17,4.05,;-1.71,3.97,;-1.71,2.43,;-3.04,3.2,;-2.26,5.4,;-1.06,6.37,;-.67,7.86,;-2,8.63,;-3.33,7.86,;-4.67,8.63,;-4.67,10.17,;-3.33,10.94,;-2,10.17,;-4.67,11.71,;-6,12.48,;-7.33,11.71,;-8.87,11.71,;-8.1,13.04,;-7.33,10.17,;-6,9.4,)|
BDBM502114 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@]2(CC1)CCC(C)(C)OC2 |r,wD:20.22,17.18,(8.87,7.94,;7.54,8.71,;6.21,7.94,;4.87,8.71,;3.54,7.94,;3.54,6.4,;2.21,8.71,;.87,7.94,;1.42,6.5,;.23,5.53,;-.17,4.05,;-1.71,3.97,;-1.71,2.43,;-3.04,3.2,;-2.26,5.4,;-1.06,6.37,;-.67,7.86,;-2,8.63,;-2,10.17,;-3.33,10.94,;-4.67,10.17,;-4.67,8.63,;-3.33,7.86,;-4.67,11.71,;-6,12.48,;-7.33,11.71,;-8.87,11.71,;-8.1,13.04,;-7.33,10.17,;-6,9.4,)|
BDBM502115 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@]2(CC1)COCC(C)(C)C2 |r,wU:17.18,wD:20.21,(8.1,7.56,;6.77,8.33,;5.44,7.56,;4.1,8.33,;2.77,7.56,;2.77,6.02,;1.44,8.33,;.1,7.56,;.65,6.12,;-.54,5.15,;-.94,3.66,;-2.48,3.58,;-2.48,2.04,;-3.81,2.81,;-3.03,5.02,;-1.83,5.99,;-1.44,7.48,;-2.77,8.25,;-4.1,7.48,;-5.44,8.25,;-5.44,9.79,;-4.1,10.56,;-2.77,9.79,;-6.77,9.02,;-8.1,9.79,;-8.1,11.33,;-6.77,12.1,;-7.54,13.43,;-6,13.43,;-5.44,11.33,)|
BDBM502116 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@@]2(CC1)COCC(C)(C)C2 |r,wD:20.22,17.18,(8.1,7.56,;6.77,8.33,;5.44,7.56,;4.1,8.33,;2.77,7.56,;2.77,6.02,;1.44,8.33,;.1,7.56,;.65,6.12,;-.54,5.15,;-.94,3.66,;-2.48,3.58,;-2.48,2.04,;-3.81,2.81,;-3.03,5.02,;-1.83,5.99,;-1.44,7.48,;-2.77,8.25,;-2.77,9.79,;-4.1,10.56,;-5.44,9.79,;-5.44,8.25,;-4.1,7.48,;-6.77,9.02,;-8.1,9.79,;-8.1,11.33,;-6.77,12.1,;-7.54,13.43,;-6,13.43,;-5.44,11.33,)|
BDBM502146 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nn2CCC(C)(C)Cc12
BDBM502147 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nn2CCC(Cc12)C(F)(F)F
BDBM502148 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@@]2(CC1)CCC(C)(C)CO2 |r,wU:19.31,16.17,(4.85,-4.73,;6.18,-3.96,;6.18,-2.42,;4.85,-1.65,;4.85,-.11,;6.18,.66,;3.51,.66,;2.18,-.11,;2.73,-1.54,;1.53,-2.51,;1.45,-4.05,;.08,-4.75,;-1.21,-3.91,;-1.13,-2.37,;.24,-1.68,;.64,-.19,;-.69,.58,;-2.03,-.19,;-3.36,.58,;-3.36,2.12,;-2.03,2.89,;-.69,2.12,;-3.36,3.66,;-4.69,4.43,;-6.03,3.66,;-7.51,4.06,;-7.12,4.75,;-6.03,2.12,;-4.69,1.35,)|
BDBM502149 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@]2(CC1)CCC(C)(C)CO2 |r,wU:19.31,wD:16.17,(4.85,-4.73,;6.18,-3.96,;6.18,-2.42,;4.85,-1.65,;4.85,-.11,;6.18,.66,;3.51,.66,;2.18,-.11,;2.73,-1.54,;1.53,-2.51,;1.45,-4.05,;.08,-4.75,;-1.21,-3.91,;-1.13,-2.37,;.24,-1.68,;.64,-.19,;-.69,.58,;-.69,2.12,;-2.03,2.89,;-3.36,2.12,;-3.36,.58,;-2.03,-.19,;-3.36,3.66,;-4.69,4.43,;-6.03,3.66,;-7.51,4.06,;-7.12,4.75,;-6.03,2.12,;-4.69,1.35,)|
BDBM502012 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@](C)(COC)CC1 |r,wU:19.21,16.17,wD:19.22,(7.44,9.22,;6.1,9.99,;4.77,9.22,;3.44,9.99,;2.1,9.22,;2.1,7.68,;.77,9.99,;-.56,9.22,;-.01,7.79,;-1.21,6.82,;-1.29,5.28,;-2.66,4.58,;-3.95,5.42,;-3.87,6.96,;-2.5,7.66,;-2.1,9.14,;-3.44,9.91,;-4.77,9.14,;-6.1,9.91,;-6.1,11.45,;-7.44,10.68,;-6.1,12.99,;-4.77,13.76,;-3.44,12.99,;-4.77,12.22,;-3.44,11.45,)|
BDBM502013 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@@](C)(COC)CC1 |r,wU:19.21,wD:19.22,16.17,(7.44,9.22,;6.1,9.99,;4.77,9.22,;3.44,9.99,;2.1,9.22,;2.1,7.68,;.77,9.99,;-.56,9.22,;-.01,7.79,;-1.21,6.82,;-1.29,5.28,;-2.66,4.58,;-3.95,5.42,;-3.87,6.96,;-2.5,7.66,;-2.1,9.14,;-3.44,9.91,;-3.44,11.45,;-4.77,12.22,;-6.1,11.45,;-7.44,10.68,;-6.1,12.99,;-4.77,13.76,;-3.44,12.99,;-6.1,9.91,;-4.77,9.14,)|
BDBM502014 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@]2(CCN(Cc3ccccc3)C2=O)CC1 |r,wU:16.17,19.33,(7.96,7.45,;6.62,8.22,;5.29,7.45,;3.95,8.22,;2.62,7.45,;2.62,5.91,;1.29,8.22,;-.05,7.45,;.51,6.01,;-.69,5.04,;-.77,3.51,;-2.14,2.81,;-3.44,3.65,;-3.36,5.18,;-1.98,5.88,;-1.58,7.37,;-2.92,8.14,;-4.25,7.37,;-5.59,8.14,;-5.59,9.68,;-7.05,9.2,;-7.96,10.45,;-7.05,11.7,;-7.53,13.16,;-6.5,14.31,;-4.99,13.99,;-3.96,15.13,;-4.43,16.59,;-5.94,16.91,;-6.97,15.77,;-5.59,11.22,;-4.34,12.13,;-4.25,10.45,;-2.92,9.68,)|
BDBM502015 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@@]2(CCN(Cc3ccccc3)C2=O)CC1 |r,wU:19.33,wD:16.17,(7.96,7.45,;6.62,8.22,;5.29,7.45,;3.95,8.22,;2.62,7.45,;2.62,5.91,;1.29,8.22,;-.05,7.45,;.51,6.01,;-.69,5.04,;-.77,3.51,;-2.14,2.81,;-3.44,3.65,;-3.36,5.18,;-1.98,5.88,;-1.58,7.37,;-2.92,8.14,;-2.92,9.68,;-4.25,10.45,;-5.59,9.68,;-7.05,9.2,;-7.96,10.45,;-7.05,11.7,;-7.53,13.16,;-6.5,14.31,;-4.99,13.99,;-3.96,15.13,;-4.43,16.59,;-5.94,16.91,;-6.97,15.77,;-5.59,11.22,;-4.34,12.13,;-5.59,8.14,;-4.25,7.37,)|
BDBM502016 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nc2CCCn12
BDBM502017 CNCCN(C)Cc1nn2CCCc2c1C1CCCCC1
BDBM502048 CNCCN(C)Cc1nn2CCOCc2c1C1CCC2(CCN(C(C)C)C2=O)CC1 |(8.5,-1.2,;7.16,-.43,;5.83,-1.2,;4.49,-.43,;3.16,-1.2,;3.16,-2.74,;1.83,-.43,;.49,-1.2,;.97,-2.67,;-.28,-3.57,;-.44,-5.1,;-1.85,-5.73,;-3.09,-4.83,;-2.93,-3.29,;-1.52,-2.67,;-1.05,-1.2,;-2.38,-.43,;-3.71,-1.2,;-5.05,-.43,;-5.05,1.11,;-6.51,.63,;-7.42,1.88,;-6.51,3.12,;-6.99,4.59,;-5.96,5.73,;-8.5,4.91,;-5.05,2.65,;-3.8,3.55,;-3.71,1.88,;-2.38,1.11,)|
BDBM502049 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCOCC2)CC1 |r|
BDBM502051 CCOC1(C)CCC(CC1)c1c(CN(C)CCNC)nn2CCCc12 |(-3.44,3.46,;-4.77,4.23,;-6.1,3.46,;-6.1,1.92,;-7.44,1.15,;-6.1,.38,;-4.77,-.39,;-3.44,.38,;-3.44,1.92,;-4.77,2.69,;-2.1,-.39,;-.56,-.39,;.77,.38,;2.1,-.39,;2.1,-1.93,;3.44,.38,;4.77,-.39,;6.1,.38,;7.44,-.39,;-.09,-1.86,;-1.33,-2.76,;-1.81,-4.23,;-3.35,-4.23,;-3.83,-2.76,;-2.58,-1.86,)|
BDBM502052 CCCOC1(C)CCC(CC1)c1c(CN(C)CCNC)nn2CCCc12 |(-2.1,4.23,;-3.44,3.46,;-4.77,4.23,;-6.1,3.46,;-6.1,1.92,;-7.44,1.15,;-6.1,.38,;-4.77,-.39,;-3.44,.38,;-3.44,1.92,;-4.77,2.69,;-2.1,-.39,;-.56,-.39,;.77,.38,;2.1,-.39,;2.1,-1.93,;3.44,.38,;4.77,-.39,;6.1,.38,;7.44,-.39,;-.09,-1.86,;-1.33,-2.76,;-1.81,-4.23,;-3.35,-4.23,;-3.83,-2.76,;-2.58,-1.86,)|
BDBM502053 CNCCN(C)Cc1nn2CCCc2c1C1CCC2(COC2)CC1
BDBM502054 CNCCN(C)Cc1nn2CCCc2c1C1CCC2(CCC(=O)N2C)CC1 |(7.96,-.98,;6.62,-.21,;5.29,-.98,;3.96,-.21,;2.62,-.98,;2.62,-2.52,;1.29,-.21,;-.05,-.98,;.43,-2.44,;-.82,-3.35,;-1.29,-4.81,;-2.83,-4.81,;-3.31,-3.35,;-2.06,-2.44,;-1.59,-.98,;-2.92,-.21,;-4.25,-.98,;-5.59,-.21,;-5.59,1.33,;-7.05,.86,;-7.96,2.1,;-7.05,3.35,;-7.53,4.81,;-5.59,2.87,;-4.34,3.78,;-4.25,2.1,;-2.92,1.33,)|
BDBM502086 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CCC2(CCN(CC3CCCCC3)C2=O)CC1 |r,wU:16.17,(7.96,-2.51,;6.62,-1.74,;5.29,-2.51,;3.96,-1.74,;2.62,-2.51,;2.62,-4.05,;1.29,-1.74,;-.05,-2.51,;.43,-3.97,;-.82,-4.88,;-.98,-6.41,;-2.38,-7.04,;-3.63,-6.13,;-3.47,-4.6,;-2.06,-3.97,;-1.59,-2.51,;-2.92,-1.74,;-4.25,-2.51,;-5.59,-1.74,;-5.59,-.2,;-7.05,-.67,;-7.96,.57,;-7.05,1.82,;-7.53,3.28,;-6.5,4.43,;-4.99,4.11,;-3.96,5.25,;-4.44,6.72,;-5.94,7.04,;-6.97,5.89,;-5.59,1.34,;-4.34,2.25,;-4.25,.57,;-2.92,-.2,)|
BDBM502087 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CCC2(CCN(CC3CCCCC3)C2=O)CC1 |r,wD:16.17,(7.96,-2.51,;6.62,-1.74,;5.29,-2.51,;3.96,-1.74,;2.62,-2.51,;2.62,-4.05,;1.29,-1.74,;-.05,-2.51,;.43,-3.97,;-.82,-4.88,;-.98,-6.41,;-2.38,-7.04,;-3.63,-6.13,;-3.47,-4.6,;-2.06,-3.97,;-1.59,-2.51,;-2.92,-1.74,;-2.92,-.2,;-4.25,.57,;-5.59,-.2,;-7.05,-.67,;-7.96,.57,;-7.05,1.82,;-7.53,3.28,;-6.5,4.43,;-4.99,4.11,;-3.96,5.25,;-4.44,6.72,;-5.94,7.04,;-6.97,5.89,;-5.59,1.34,;-4.34,2.25,;-5.59,-1.74,;-4.25,-2.51,)|
BDBM502088 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CCC2(CCN(Cc3ccn(C)n3)C2=O)CC1 |r,wU:16.17,(7.96,-3.04,;6.62,-2.27,;5.29,-3.04,;3.96,-2.27,;2.62,-3.04,;2.62,-4.58,;1.29,-2.27,;-.05,-3.04,;.43,-4.5,;-.82,-5.41,;-.98,-6.94,;-2.38,-7.56,;-3.63,-6.66,;-3.47,-5.13,;-2.06,-4.5,;-1.59,-3.04,;-2.92,-2.27,;-4.25,-3.04,;-5.59,-2.27,;-5.59,-.73,;-7.05,-1.2,;-7.96,.04,;-7.05,1.29,;-7.53,2.75,;-6.5,3.9,;-4.99,3.58,;-4.22,4.91,;-5.25,6.06,;-4.93,7.56,;-6.66,5.43,;-5.59,.81,;-4.34,1.72,;-4.25,.04,;-2.92,-.73,)|
BDBM502089 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CCC2(CCN(Cc3ccn(C)n3)C2=O)CC1 |r,wD:16.17,(7.96,-3.04,;6.62,-2.27,;5.29,-3.04,;3.96,-2.27,;2.62,-3.04,;2.62,-4.58,;1.29,-2.27,;-.05,-3.04,;.43,-4.5,;-.82,-5.41,;-.98,-6.94,;-2.38,-7.56,;-3.63,-6.66,;-3.47,-5.13,;-2.06,-4.5,;-1.59,-3.04,;-2.92,-2.27,;-2.92,-.73,;-4.25,.04,;-5.59,-.73,;-7.05,-1.2,;-7.96,.04,;-7.05,1.29,;-7.53,2.75,;-6.5,3.9,;-4.99,3.58,;-4.22,4.91,;-5.25,6.06,;-4.93,7.56,;-6.66,5.43,;-5.59,.81,;-4.34,1.72,;-5.59,-2.27,;-4.25,-3.04,)|
BDBM502090 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(COC(C)(C)C2)CC1 |r,wU:15.16,(8.05,-.99,;6.71,-.22,;5.38,-.99,;4.05,-.22,;2.71,-.99,;2.71,-2.53,;1.38,-.22,;.05,-.99,;.52,-2.45,;-.72,-3.36,;-1.2,-4.82,;-2.74,-4.82,;-3.22,-3.36,;-1.97,-2.45,;-1.49,-.99,;-2.83,-.22,;-4.16,-.99,;-5.49,-.22,;-5.49,1.32,;-6.96,.84,;-7.86,2.09,;-6.96,3.34,;-8.05,4.43,;-6.56,4.82,;-5.49,2.86,;-4.16,2.09,;-2.83,1.32,)|
BDBM502117 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@@]2(CC1)CCC(C)(C)CO2 |r,wU:17.18,20.32,(8.87,7.94,;7.54,8.71,;6.21,7.94,;4.87,8.71,;3.54,7.94,;3.54,6.4,;2.21,8.71,;.87,7.94,;1.42,6.5,;.23,5.53,;-.17,4.05,;-1.71,3.97,;-1.71,2.43,;-3.04,3.2,;-2.26,5.4,;-1.06,6.37,;-.67,7.86,;-2,8.63,;-3.33,7.86,;-4.67,8.63,;-4.67,10.17,;-3.33,10.94,;-2,10.17,;-4.67,11.71,;-6,12.48,;-7.33,11.71,;-8.87,11.71,;-8.1,13.04,;-7.33,10.17,;-6,9.4,)|
BDBM502118 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@]2(CC1)CCC(C)(C)CO2 |r,wU:20.32,wD:17.18,(8.87,7.94,;7.54,8.71,;6.21,7.94,;4.87,8.71,;3.54,7.94,;3.54,6.4,;2.21,8.71,;.87,7.94,;1.42,6.5,;.23,5.53,;-.17,4.05,;-1.71,3.97,;-1.71,2.43,;-3.04,3.2,;-2.26,5.4,;-1.06,6.37,;-.67,7.86,;-2,8.63,;-2,10.17,;-3.33,10.94,;-4.67,10.17,;-4.67,8.63,;-3.33,7.86,;-4.67,11.71,;-6,12.48,;-7.33,11.71,;-8.87,11.71,;-8.1,13.04,;-7.33,10.17,;-6,9.4,)|
BDBM502119 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@]2(CCCC(C)(C)O2)CC1 |r,wU:20.29,17.18,(8.85,9.35,;7.51,10.12,;6.18,9.35,;4.85,10.12,;3.51,9.35,;3.51,7.81,;2.18,10.12,;.85,9.35,;1.4,7.91,;.2,6.94,;-.2,5.45,;-1.74,5.37,;-1.74,3.83,;-2.82,4.28,;-2.29,6.81,;-1.09,7.78,;-.69,9.27,;-2.03,10.04,;-3.36,9.27,;-4.69,10.04,;-4.69,11.58,;-4.69,13.12,;-6.03,13.89,;-7.36,13.12,;-7.36,11.58,;-8.85,11.18,;-8.13,10.24,;-6.03,10.81,;-3.36,12.35,;-2.03,11.58,)|
BDBM502120 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@@]2(CCCC(C)(C)O2)CC1 |r,wU:20.29,wD:17.18,(8.85,9.35,;7.51,10.12,;6.18,9.35,;4.85,10.12,;3.51,9.35,;3.51,7.81,;2.18,10.12,;.85,9.35,;1.4,7.91,;.2,6.94,;-.2,5.45,;-1.74,5.37,;-1.74,3.83,;-2.82,4.28,;-2.29,6.81,;-1.09,7.78,;-.69,9.27,;-2.03,10.04,;-2.03,11.58,;-3.36,12.35,;-4.69,11.58,;-4.69,13.12,;-6.03,13.89,;-7.36,13.12,;-7.36,11.58,;-8.85,11.18,;-8.13,10.24,;-6.03,10.81,;-4.69,10.04,;-3.36,9.27,)|
BDBM502121 CCOCC1(COCC)CCC(CC1)c1c(CNCCNC)nn2CC(F)(F)Cc12
BDBM502122 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCN)nn2CC(F)(F)Cc12
BDBM502018 CNCCN(C)Cc1nn2CCCc2c1C1=CCN(CC1)C(=O)OCc1ccccc1 |t:17|
BDBM502019 CNCCN(C)Cc1nn2CCCc2c1C1CCC2(CCCCC2)CC1
BDBM502020 CCC(=O)N1CCC(=CC1)c1c(CN(C)CCNC)nn2CCCc12 |c:7|
BDBM502021 CCS(=O)(=O)N1CCC(=CC1)c1c(CN(C)CCNC)nn2CCCc12 |c:8|
BDBM502022 CCOC(=O)C1(C)CCC(CC1)c1c(CN(C)CCNC)nn2CCCc12 |(-2.1,3.07,;-3.44,2.3,;-4.77,3.07,;-6.1,2.3,;-7.44,3.07,;-6.1,.76,;-7.44,-.01,;-6.1,-.78,;-4.77,-1.55,;-3.44,-.78,;-3.44,.76,;-4.77,1.53,;-2.1,-1.55,;-.56,-1.55,;.77,-.78,;2.1,-1.55,;2.1,-3.09,;3.44,-.78,;4.77,-1.55,;6.1,-.78,;7.44,-1.55,;-.09,-3.01,;-1.33,-3.92,;-1.81,-5.38,;-3.35,-5.38,;-3.83,-3.92,;-2.58,-3.01,)|
BDBM502023 CNCCN(C)Cc1nn2CCCc2c1C1CCC2(CCCO2)CC1 |(7.96,-.25,;6.62,.52,;5.29,-.25,;3.96,.52,;2.62,-.25,;2.62,-1.79,;1.29,.52,;-.05,-.25,;.43,-1.71,;-.82,-2.62,;-1.29,-4.08,;-2.83,-4.08,;-3.31,-2.62,;-2.06,-1.71,;-1.59,-.25,;-2.92,.52,;-4.25,-.25,;-5.59,.52,;-5.59,2.06,;-7.05,1.59,;-7.96,2.83,;-7.05,4.08,;-5.59,3.6,;-4.25,2.83,;-2.92,2.06,)|
BDBM502024 CNCCN(C)Cc1nn2CCCc2c1C1CCC(COC)CC1 |(8.11,-.78,;6.77,-.01,;5.44,-.78,;4.1,-.01,;2.77,-.78,;2.77,-2.32,;1.44,-.01,;.1,-.78,;.58,-2.24,;-.67,-3.15,;-1.14,-4.61,;-2.68,-4.61,;-3.16,-3.15,;-1.91,-2.24,;-1.44,-.78,;-2.77,-.01,;-4.1,-.78,;-5.44,-.01,;-5.44,1.53,;-6.77,2.3,;-6.77,3.84,;-8.11,4.61,;-4.1,2.3,;-2.77,1.53,)|
BDBM502055 CNCCN(C)Cc1nn2CCCc2c1C1CCC2(CCCC2)CC1
BDBM502056 CNCCN(C)Cc1nn2CCCc2c1C1CCCC1
BDBM502057 CNCCN(C)Cc1nn2CCCc2c1C1CCC(C)(C)CC1
BDBM502058 CNCCN(C)Cc1nn2CCCc2c1C1=CCN(CC1)C(=O)C1(C)CC1 |t:17|
BDBM502059 CCS(=O)(=O)NC1CCC(C1)c1c(CN(C)CCNC)nn2CCCc12
BDBM502060 CCC(=O)NC1CCC(C1)c1c(CN(C)CCNC)nn2CCCc12
BDBM502061 CCNC(=O)C1(C)CCC(CC1)c1c(CN(C)CCNC)nn2CCCc12 |(-2.1,3.07,;-3.44,2.3,;-4.77,3.07,;-6.1,2.3,;-7.44,3.07,;-6.1,.76,;-7.44,-.01,;-4.77,1.53,;-3.44,.76,;-3.44,-.78,;-4.77,-1.55,;-6.1,-.78,;-2.1,-1.55,;-.56,-1.55,;.77,-.78,;2.1,-1.55,;2.1,-3.09,;3.44,-.78,;4.77,-1.55,;6.1,-.78,;7.44,-1.55,;-.09,-3.01,;-1.33,-3.92,;-1.81,-5.38,;-3.35,-5.38,;-3.83,-3.92,;-2.58,-3.01,)|
BDBM502091 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(COC(C)(C)C2)CC1 |r,wD:15.16,(8.05,-.99,;6.71,-.22,;5.38,-.99,;4.05,-.22,;2.71,-.99,;2.71,-2.53,;1.38,-.22,;.05,-.99,;.52,-2.45,;-.72,-3.36,;-1.2,-4.82,;-2.74,-4.82,;-3.22,-3.36,;-1.97,-2.45,;-1.49,-.99,;-2.83,-.22,;-2.83,1.32,;-4.16,2.09,;-5.49,1.32,;-6.96,.84,;-7.86,2.09,;-6.96,3.34,;-8.05,4.43,;-6.56,4.82,;-5.49,2.86,;-5.49,-.22,;-4.16,-.99,)|
BDBM502092 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCCOC2)CC1 |r,wU:15.16,(8.11,-.39,;6.77,.38,;5.44,-.39,;4.1,.38,;2.77,-.39,;2.77,-1.93,;1.44,.38,;.1,-.39,;.58,-1.86,;-.67,-2.76,;-1.14,-4.23,;-2.68,-4.23,;-3.16,-2.76,;-1.91,-1.86,;-1.44,-.39,;-2.77,.38,;-4.1,-.39,;-5.44,.38,;-5.44,1.92,;-6.77,1.15,;-8.11,1.92,;-8.11,3.46,;-6.77,4.23,;-5.44,3.46,;-4.1,2.69,;-2.77,1.92,)|
BDBM502093 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCCOC2)CC1 |r,wD:15.16,(8.11,-.39,;6.77,.38,;5.44,-.39,;4.1,.38,;2.77,-.39,;2.77,-1.93,;1.44,.38,;.1,-.39,;.58,-1.86,;-.67,-2.76,;-1.14,-4.23,;-2.68,-4.23,;-3.16,-2.76,;-1.91,-1.86,;-1.44,-.39,;-2.77,.38,;-2.77,1.92,;-4.1,2.69,;-5.44,1.92,;-6.77,1.15,;-8.11,1.92,;-8.11,3.46,;-6.77,4.23,;-5.44,3.46,;-5.44,.38,;-4.1,-.39,)|
BDBM502094 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCC(C)(C)O2)CC1 |r,wU:15.16,(8.05,-.99,;6.71,-.22,;5.38,-.99,;4.05,-.22,;2.71,-.99,;2.71,-2.53,;1.38,-.22,;.05,-.99,;.52,-2.45,;-.72,-3.36,;-1.2,-4.82,;-2.74,-4.82,;-3.22,-3.36,;-1.97,-2.45,;-1.49,-.99,;-2.83,-.22,;-4.16,-.99,;-5.49,-.22,;-5.49,1.32,;-6.96,.84,;-7.86,2.09,;-6.96,3.34,;-8.05,4.43,;-6.56,4.82,;-5.49,2.86,;-4.16,2.09,;-2.83,1.32,)|
BDBM502095 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCC(C)(C)O2)CC1 |r,wD:15.16,(8.05,-.99,;6.71,-.22,;5.38,-.99,;4.05,-.22,;2.71,-.99,;2.71,-2.53,;1.38,-.22,;.05,-.99,;.52,-2.45,;-.72,-3.36,;-1.2,-4.82,;-2.74,-4.82,;-3.22,-3.36,;-1.97,-2.45,;-1.49,-.99,;-2.83,-.22,;-2.83,1.32,;-4.16,2.09,;-5.49,1.32,;-6.96,.84,;-7.86,2.09,;-6.96,3.34,;-8.05,4.43,;-6.56,4.82,;-5.49,2.86,;-5.49,-.22,;-4.16,-.99,)|
BDBM502096 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCCCO2)CC1 |r,wU:15.16,(8.11,-.39,;6.77,.38,;5.44,-.39,;4.1,.38,;2.77,-.39,;2.77,-1.93,;1.44,.38,;.1,-.39,;.58,-1.86,;-.67,-2.76,;-1.14,-4.23,;-2.68,-4.23,;-3.16,-2.76,;-1.91,-1.86,;-1.44,-.39,;-2.77,.38,;-4.1,-.39,;-5.44,.38,;-5.44,1.92,;-6.77,1.15,;-8.11,1.92,;-8.11,3.46,;-6.77,4.23,;-5.44,3.46,;-4.1,2.69,;-2.77,1.92,)|
BDBM502123 CCOCC1(COCC)CCC(CC1)c1c(CNCCN)nn2CC(F)(F)Cc12
BDBM502124 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@]2(CCCOC2)CC1 |r,wU:19.26,16.17,(4.1,-4.57,;5.44,-3.8,;5.44,-2.26,;4.1,-1.49,;4.1,.05,;5.44,.82,;2.77,.82,;1.44,.05,;1.99,-1.39,;.79,-2.35,;.71,-3.89,;-.66,-4.59,;-1.95,-3.75,;-1.87,-2.21,;-.5,-1.52,;-.1,-.03,;-1.44,.74,;-2.77,-.03,;-4.1,.74,;-4.1,2.28,;-4.1,3.82,;-5.44,4.59,;-6.77,3.82,;-6.77,2.28,;-5.44,1.51,;-2.77,3.05,;-1.44,2.28,)|
BDBM502125 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@@]2(CCCOC2)CC1 |r,wU:19.26,wD:16.17,(4.1,-4.57,;5.44,-3.8,;5.44,-2.26,;4.1,-1.49,;4.1,.05,;5.44,.82,;2.77,.82,;1.44,.05,;1.99,-1.39,;.79,-2.35,;.71,-3.89,;-.66,-4.59,;-1.95,-3.75,;-1.87,-2.21,;-.5,-1.52,;-.1,-.03,;-1.44,.74,;-1.44,2.28,;-2.77,3.05,;-4.1,2.28,;-4.1,3.82,;-5.44,4.59,;-6.77,3.82,;-6.77,2.28,;-5.44,1.51,;-4.1,.74,;-2.77,-.03,)|
BDBM502126 CCOC[C@@]1(CC)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCCc12 |r,wU:4.4,9.12,wD:4.3,(-2.1,4.26,;-3.44,3.49,;-4.77,4.26,;-6.1,3.49,;-6.1,1.95,;-7.44,1.18,;-7.44,-.36,;-6.1,.41,;-4.77,-.36,;-3.44,.41,;-3.44,1.95,;-4.77,2.72,;-2.1,-.36,;-.56,-.28,;.77,.49,;2.1,-.28,;2.1,-1.82,;3.44,.49,;4.77,-.28,;6.1,.49,;7.44,-.28,;-.01,-1.72,;-1.21,-2.69,;-1.61,-4.18,;-3.15,-4.26,;-3.7,-2.82,;-2.5,-1.85,)|
BDBM502127 CCOC[C@]1(CC)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCCc12 |r,wU:4.4,wD:4.3,9.12,(-2.1,4.26,;-3.44,3.49,;-4.77,4.26,;-6.1,3.49,;-6.1,1.95,;-7.44,1.18,;-7.44,-.36,;-4.77,2.72,;-3.44,1.95,;-3.44,.41,;-4.77,-.36,;-6.1,.41,;-2.1,-.36,;-.56,-.28,;.77,.49,;2.1,-.28,;2.1,-1.82,;3.44,.49,;4.77,-.28,;6.1,.49,;7.44,-.28,;-.01,-1.72,;-1.21,-2.69,;-1.61,-4.18,;-3.15,-4.26,;-3.7,-2.82,;-2.5,-1.85,)|
BDBM502128 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CC[C@]2(CCCOC2)CC1 |r,wU:18.25,15.16,(4.1,-4.58,;5.44,-3.81,;5.44,-2.27,;4.1,-1.5,;4.1,.04,;5.44,.81,;2.77,.81,;1.44,.04,;1.99,-1.4,;.79,-2.37,;.39,-3.85,;-1.15,-3.93,;-1.7,-2.5,;-.5,-1.53,;-.1,-.04,;-1.44,.73,;-2.77,-.04,;-4.1,.73,;-4.1,2.27,;-4.1,3.81,;-5.44,4.58,;-6.77,3.81,;-6.77,2.27,;-5.44,1.5,;-2.77,3.04,;-1.44,2.27,)|
BDBM502025 CCOC(=O)C1(C)CCC(=CC1)c1c(CN(C)CCNC)nn2CCCc12 |c:9|
BDBM502026 CCOCC1CCC(CC1)c1c(CN(C)CCNC)nn2CCCc12 |(-10.77,.76,;-9.44,1.53,;-8.11,.76,;-6.77,1.53,;-5.44,.76,;-4.1,1.53,;-2.77,.76,;-2.77,-.78,;-4.1,-1.55,;-5.44,-.78,;-1.44,-1.55,;.1,-1.55,;1.44,-.78,;2.77,-1.55,;2.77,-3.09,;4.1,-.78,;5.44,-1.55,;6.77,-.78,;8.11,-1.55,;.58,-3.01,;-.67,-3.92,;-1.14,-5.38,;-2.68,-5.38,;-3.16,-3.92,;-1.91,-3.01,)|
BDBM502027 CNCCN(C)Cc1nn2CCCCc2c1C1CCCCC1
BDBM502028 CNCCN(C)Cc1nn2CCOCc2c1C1CCCCC1
BDBM502029 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nn2CCOCc12
BDBM502030 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nn2CCCCc12
BDBM502031 CNCCN(C)Cc1nn2CCCc2c1C1CCC2(CCNC2=O)CC1 |(7.96,-.98,;6.62,-.21,;5.29,-.98,;3.96,-.21,;2.62,-.98,;2.62,-2.52,;1.29,-.21,;-.05,-.98,;.43,-2.44,;-.82,-3.35,;-1.29,-4.81,;-2.83,-4.81,;-3.31,-3.35,;-2.06,-2.44,;-1.59,-.98,;-2.92,-.21,;-4.25,-.98,;-5.59,-.21,;-5.59,1.33,;-7.05,.86,;-7.96,2.1,;-7.05,3.35,;-5.59,2.87,;-4.34,3.78,;-4.25,2.1,;-2.92,1.33,)|
BDBM502062 CCOCC1(CCC(CC1)c1c(CN(C)CCNC)nn2CCCc12)OCC |(-7.96,4.41,;-6.44,4.68,;-5.45,3.5,;-3.93,3.76,;-2.94,2.58,;-4.09,1.55,;-3.77,.05,;-2.3,-.43,;-1.16,.6,;-1.48,2.11,;-1.98,-1.94,;-.58,-2.56,;.76,-1.79,;2.09,-2.56,;2.09,-4.1,;3.42,-1.79,;4.76,-2.56,;6.09,-1.79,;7.42,-2.56,;-.74,-4.09,;-2.24,-4.41,;-3.28,-5.56,;-4.68,-4.93,;-4.52,-3.4,;-3.01,-3.08,;-2.52,4.06,;-3.59,5.17,;-5.08,4.8,)|
BDBM502063 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nn2CC(O)CCc12
BDBM502064 CCOCC1(COCC)C2CC(CC12)c1c(CN(C)CCNC)nn2CCCc12
BDBM502065 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nn2C(CO)CCc12
BDBM502066 CCOCC1(COCC)CCC(CC1)c1c(CN(C)CCNC)nn2CCN(Cc12)C(=O)CC
BDBM502067 CNCCN(C)Cc1nn2CC(O)Cc2c1C1CCC(COC)(COC)CC1
BDBM502068 CCS(=O)(=O)C1CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCCc12 |r,wU:8.11,(-8.5,-3.52,;-8.03,-2.06,;-6.52,-1.74,;-6.84,-.23,;-6.2,-3.24,;-5.01,-1.42,;-3.98,-2.56,;-2.48,-2.24,;-2,-.78,;-3.03,.37,;-4.54,.05,;-.49,-.46,;.13,.95,;-.64,2.28,;.13,3.62,;-.64,4.95,;1.67,3.62,;2.44,2.28,;3.98,2.28,;4.75,.95,;1.66,.79,;1.98,-.72,;3.13,-1.75,;2.5,-3.15,;.97,-2.99,;.65,-1.49,)|
BDBM502097 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCCCO2)CC1 |r,wD:15.16,(8.11,-.39,;6.77,.38,;5.44,-.39,;4.1,.38,;2.77,-.39,;2.77,-1.93,;1.44,.38,;.1,-.39,;.58,-1.86,;-.67,-2.76,;-1.14,-4.23,;-2.68,-4.23,;-3.16,-2.76,;-1.91,-1.86,;-1.44,-.39,;-2.77,.38,;-2.77,1.92,;-4.1,2.69,;-5.44,1.92,;-6.77,1.15,;-8.11,1.92,;-8.11,3.46,;-6.77,4.23,;-5.44,3.46,;-5.44,.38,;-4.1,-.39,)|
BDBM502098 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC(C)(CC1)C(=O)N(C)C |r,wU:15.16,(7.44,-1.16,;6.1,-.39,;4.77,-1.16,;3.44,-.39,;2.1,-1.16,;2.1,-2.7,;.77,-.39,;-.56,-1.16,;-.09,-2.63,;-1.33,-3.53,;-1.81,-5,;-3.35,-5,;-3.83,-3.53,;-2.58,-2.63,;-2.1,-1.16,;-3.44,-.39,;-4.77,-1.16,;-6.1,-.39,;-6.1,1.15,;-7.44,.38,;-4.77,1.92,;-3.44,1.15,;-6.1,2.69,;-7.44,3.46,;-4.77,3.46,;-3.44,2.69,;-4.77,5,)|
BDBM502099 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC(C)(CC1)C(=O)N(C)C |r,wD:15.16,(7.44,-1.16,;6.1,-.39,;4.77,-1.16,;3.44,-.39,;2.1,-1.16,;2.1,-2.7,;.77,-.39,;-.56,-1.16,;-.09,-2.63,;-1.33,-3.53,;-1.81,-5,;-3.35,-5,;-3.83,-3.53,;-2.58,-2.63,;-2.1,-1.16,;-3.44,-.39,;-3.44,1.15,;-4.77,1.92,;-6.1,1.15,;-7.44,.38,;-6.1,-.39,;-4.77,-1.16,;-6.1,2.69,;-7.44,3.46,;-4.77,3.46,;-3.44,2.69,;-4.77,5,)|
BDBM502100 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@]2(CC(C)(C)CO2)CC1 |r,wU:17.18,20.28,(8.05,7.38,;6.71,8.15,;5.38,7.38,;4.05,8.15,;2.71,7.38,;2.71,5.84,;1.38,8.15,;.05,7.38,;.6,5.95,;-.6,4.98,;-1,3.49,;-2.54,3.41,;-2.54,1.87,;-3.87,2.64,;-3.09,4.85,;-1.89,5.81,;-1.49,7.3,;-2.83,8.07,;-4.16,7.3,;-5.49,8.07,;-5.49,9.61,;-5.49,11.15,;-6.96,11.63,;-8.05,12.72,;-6.56,13.12,;-7.86,10.38,;-6.96,9.14,;-4.16,10.38,;-2.83,9.61,)|
BDBM502101 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@@]2(CC(C)(C)CO2)CC1 |r,wU:20.28,wD:17.18,(8.05,7.38,;6.71,8.15,;5.38,7.38,;4.05,8.15,;2.71,7.38,;2.71,5.84,;1.38,8.15,;.05,7.38,;.6,5.95,;-.6,4.98,;-1,3.49,;-2.54,3.41,;-2.54,1.87,;-3.87,2.64,;-3.09,4.85,;-1.89,5.81,;-1.49,7.3,;-2.83,8.07,;-2.83,9.61,;-4.16,10.38,;-5.49,9.61,;-5.49,11.15,;-6.96,11.63,;-8.05,12.72,;-6.56,13.12,;-7.86,10.38,;-6.96,9.14,;-5.49,8.07,;-4.16,7.3,)|
BDBM502129 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CC[C@@]2(CCCOC2)CC1 |r,wU:18.25,wD:15.16,(4.1,-4.58,;5.44,-3.81,;5.44,-2.27,;4.1,-1.5,;4.1,.04,;5.44,.81,;2.77,.81,;1.44,.04,;1.99,-1.4,;.79,-2.37,;.39,-3.85,;-1.15,-3.93,;-1.7,-2.5,;-.5,-1.53,;-.1,-.04,;-1.44,.73,;-1.44,2.27,;-2.77,3.04,;-4.1,2.27,;-4.1,3.81,;-5.44,4.58,;-6.77,3.81,;-6.77,2.27,;-5.44,1.5,;-4.1,.73,;-2.77,-.04,)|
BDBM502130 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CC[C@]2(CC(C)(C)CO2)CC1 |r,wU:15.16,18.26,(4.05,-5.18,;5.38,-4.41,;5.38,-2.87,;4.05,-2.1,;4.05,-.56,;5.38,.21,;2.71,.21,;1.38,-.56,;1.93,-1.99,;.73,-2.96,;.34,-4.45,;-1.2,-4.53,;-1.75,-3.09,;-.56,-2.12,;-.16,-.64,;-1.49,.13,;-2.83,-.64,;-4.16,.13,;-4.16,1.67,;-4.16,3.21,;-5.62,3.69,;-5.23,5.18,;-6.71,4.78,;-6.53,2.44,;-5.62,1.2,;-2.83,2.44,;-1.49,1.67,)|
BDBM502131 CNCCN(C)Cc1nn2CCCc2c1[C@H]1CC[C@@]2(CC(C)(C)CO2)CC1 |r,wU:18.26,wD:15.16,(4.05,-5.18,;5.38,-4.41,;5.38,-2.87,;4.05,-2.1,;4.05,-.56,;5.38,.21,;2.71,.21,;1.38,-.56,;1.93,-1.99,;.73,-2.96,;.34,-4.45,;-1.2,-4.53,;-1.75,-3.09,;-.56,-2.12,;-.16,-.64,;-1.49,.13,;-1.49,1.67,;-2.83,2.44,;-4.16,1.67,;-4.16,3.21,;-5.62,3.69,;-5.23,5.18,;-6.71,4.78,;-6.53,2.44,;-5.62,1.2,;-4.16,.13,;-2.83,-.64,)|
BDBM502132 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@]2(CC(C)(C)CO2)CC1 |r,wU:16.17,19.27,(4.05,-5.16,;5.38,-4.39,;5.38,-2.85,;4.05,-2.08,;4.05,-.54,;5.38,.23,;2.71,.23,;1.38,-.54,;1.93,-1.98,;.73,-2.95,;.65,-4.49,;-.72,-5.19,;-2.01,-4.35,;-1.93,-2.81,;-.56,-2.11,;-.16,-.63,;-1.49,.14,;-2.83,-.63,;-4.16,.14,;-4.16,1.68,;-4.16,3.22,;-5.62,3.7,;-5.23,5.19,;-6.71,4.79,;-6.53,2.45,;-5.62,1.21,;-2.83,2.45,;-1.49,1.68,)|
BDBM502133 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@@]2(CC(C)(C)CO2)CC1 |r,wU:19.27,wD:16.17,(4.05,-5.16,;5.38,-4.39,;5.38,-2.85,;4.05,-2.08,;4.05,-.54,;5.38,.23,;2.71,.23,;1.38,-.54,;1.93,-1.98,;.73,-2.95,;.65,-4.49,;-.72,-5.19,;-2.01,-4.35,;-1.93,-2.81,;-.56,-2.11,;-.16,-.63,;-1.49,.14,;-1.49,1.68,;-2.83,2.45,;-4.16,1.68,;-4.16,3.22,;-5.62,3.7,;-5.23,5.19,;-6.71,4.79,;-6.53,2.45,;-5.62,1.21,;-4.16,.14,;-2.83,-.63,)|
BDBM502134 CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@]2(CCCCO2)CC1 |r,wU:16.17,19.26,(4.1,-4.57,;5.44,-3.8,;5.44,-2.26,;4.1,-1.49,;4.1,.05,;5.44,.82,;2.77,.82,;1.44,.05,;1.99,-1.39,;.79,-2.35,;.71,-3.89,;-.66,-4.59,;-1.95,-3.75,;-1.87,-2.21,;-.5,-1.52,;-.1,-.03,;-1.44,.74,;-2.77,-.03,;-4.1,.74,;-4.1,2.28,;-4.1,3.82,;-5.44,4.59,;-6.77,3.82,;-6.77,2.28,;-5.44,1.51,;-2.77,3.05,;-1.44,2.28,)|
BDBM502103 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@@]2(CCCOC2)CC1 |r,wD:20.28,17.18,(8.1,8.22,;6.77,8.99,;5.44,8.22,;4.1,8.99,;2.77,8.22,;2.77,6.68,;1.44,8.99,;.1,8.22,;.65,6.78,;-.54,5.82,;-.94,4.33,;-2.48,4.25,;-2.48,2.71,;-3.81,3.48,;-3.03,5.69,;-1.83,6.65,;-1.44,8.14,;-2.77,8.91,;-2.77,10.45,;-4.1,11.22,;-5.44,10.45,;-5.44,11.99,;-6.77,12.76,;-8.1,11.99,;-8.1,10.45,;-6.77,9.68,;-5.44,8.91,;-4.1,8.14,)|
BDBM502102 CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@]2(CCCOC2)CC1 |r,wU:17.18,wD:20.21,(8.1,8.22,;6.77,8.99,;5.44,8.22,;4.1,8.99,;2.77,8.22,;2.77,6.68,;1.44,8.99,;.1,8.22,;.65,6.78,;-.54,5.82,;-.94,4.33,;-2.48,4.25,;-2.48,2.71,;-3.81,3.48,;-3.03,5.69,;-1.83,6.65,;-1.44,8.14,;-2.77,8.91,;-4.1,8.14,;-5.44,8.91,;-5.44,10.45,;-5.44,11.99,;-6.77,12.76,;-8.1,11.99,;-8.1,10.45,;-6.77,9.68,;-4.1,11.22,;-2.77,10.45,)|
BDBM502107 CC[C@]1(COCC(F)(F)F)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCOCc12 |r,wU:12.15,2.1,wD:2.2,(-7.44,10.02,;-7.44,11.56,;-6.1,12.33,;-6.1,13.87,;-4.77,14.64,;-3.44,13.87,;-2.1,14.64,;-.77,15.41,;-1.33,13.3,;-2.87,15.97,;-6.1,10.79,;-4.77,10.02,;-3.44,10.79,;-3.44,12.33,;-4.77,13.1,;-2.1,10.02,;-.56,10.1,;.77,10.87,;2.1,10.1,;2.1,8.56,;3.44,10.87,;4.77,10.1,;6.1,10.87,;7.44,10.1,;-.01,8.66,;-1.21,7.69,;-1.29,6.15,;-2.66,5.45,;-3.95,6.29,;-3.87,7.83,;-2.5,8.53,)|
BDBM50550109 C1CN=C(N1)c1ccc(\C=C\c2cc3cc(ccc3s2)C2=NCCN2)cc1 |c:2,t:23|
BDBM50550110 C1CN=C(N1)c1ccc(\C=C\c2cc3cc(ccc3o2)C2=NCCN2)cc1 |c:2,t:23|
BDBM50550111 O=C(Nc1ccc(cc1)C1=NCCN1)c1cc2ccc(cc2[nH]1)C1=NCCN1 |t:10,27|
BDBM50550112 O=C(Nc1ccc(cc1)C1=NCCN1)c1cc2ccc(cc2o1)C1=NCCN1 |t:10,27|
BDBM50550113 O=C(Nc1ccc(cc1)C1=NCCN1)c1cc2cc(ccc2o1)C1=NCCN1 |t:10,27|
BDBM50550114 C1CN=C(N1)c1ccc2cc(\C=C/c3cc4ccc(cc4o3)C3=NCCN3)[nH]c2c1 |c:2,t:25|
BDBM50550115 C1CN=C(N1)c1ccc2[nH]c(\C=C/c3cc4ccc(cc4o3)C3=NCCN3)cc2c1 |c:2,t:25|
BDBM50550116 NC(=N)c1ccc2cc(CCc3cc4ccc(cc4o3)C(N)=N)[nH]c2c1
BDBM50550117 NC(=N)c1ccc2[nH]c(CCc3cc4ccc(cc4o3)C(N)=N)cc2c1
BDBM50550118 NC(=N)c1ccc2oc(\C=C\C=C\c3cc4ccc(cc4o3)C(N)=N)cc2c1
BDBM50550119 NC(=N)c1ccc(\C=C\C=C\c2cc3cc(ccc3o2)C(N)=N)cc1
BDBM50550120 C1CN=C(N1)c1ccc(Oc2ccc(\C=C\c3cc4ccc(cc4[nH]3)C3=NCCN3)cc2)cc1 |c:2,t:28|
BDBM50550091 NC(=N)c1ccc(Nc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=N)cc1
BDBM50550092 CNC(=N)N\N=C(\C)c1ccc2oc3ccc(cc3c2c1)C(\C)=N\NC(=N)NC
BDBM50550093 C1CN=C(N1)c1cc2cc(ccc2o1)-c1cc2ccc(cc2[nH]1)C1=NCCN1 |c:2,t:28|
BDBM50550094 CNCC(=O)NC1=CC2C(C=C1)C(=O)c1cc(NC(=O)CNC)ccc1C2=O |c:10,t:6|
BDBM50550095 Nc1nc(N)c2nc3c(ccc4ccccc34)nc2n1
BDBM50550096 NC(=N)c1ccc2cc(\C=C\c3cc4ccc(cc4o3)C(N)=N)[nH]c2c1
BDBM50550097 NC(=N)c1ccc2[nH]c(\C=C\c3cc4ccc(cc4o3)C(N)=N)cc2c1
BDBM50550098 NC(=N)c1ccc2[nH]c(\C=C\c3cc4cc(ccc4o3)C(N)=N)cc2c1
BDBM50550099 NC(=N)c1ccc2cc(\C=C\c3cc4ccc(cc4o3)C(N)=N)oc2c1
BDBM50550100 NC(=N)c1ccc2sc(\C=C\c3cc4ccc(cc4o3)C(N)=N)cc2c1
BDBM50550101 NC(=N)c1ccc2oc(\C=C\c3cc4ccc(cc4o3)C(N)=N)cc2c1
BDBM50550102 C\C(=C/c1cc2ccc(cc2o1)C(N)=N)c1cc2cc(ccc2o1)C(N)=N
BDBM50550103 C1CN=C(N1)c1ccc2cc(\C=C\c3cc4ccc(cc4o3)C3=NCCN3)oc2c1 |c:2,t:25|
BDBM50550104 NC(=N)c1ccc(\C=C\c2cc3cc(ccc3o2)C(N)=N)cc1
BDBM50550105 NC(=N)c1ccc(NC(=O)c2cc3ccc(cc3o2)C(N)=N)cc1
BDBM50550106 NC(=N)c1ccc(NC(=O)c2cc3cc(ccc3o2)C(N)=N)cc1
BDBM50550107 C1CN=C(N1)c1cc2ccc(\C=C\C3=Cc4ccc(cc4C3)C3=NCCN3)cc2[nH]1 |c:2,t:14,25|
BDBM50550108 C1CN=C(N1)c1ccc(\C=C\c2cc3ccc(cc3[nH]2)C2=NCCN2)cc1 |c:2,t:23|
BDBM50553049 NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50594083 COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CCCc4ccccc4)CC3)c2cc1OC
BDBM50594106 COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCCN(C)C)nc2cc1OCc1ccccc1
BDBM50597852 N[C@@H](CCCN(CCI)C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
BDBM50597857 CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(N)c1
BDBM50598016 COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
BDBM50598017 COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCNC(=N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
BDBM50598018 COC(=O)c1cc(O)c2ccc(NC(=O)NCCCCCCNC(=N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)cc2c1 |r|
BDBM50598019 COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCCCNC(=N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
BDBM50598020 COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
BDBM50598021 COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCCC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
BDBM50598022 COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC\C=C\[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
BDBM50597853 NCCCN(CCCNC(N)=N)C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50598002 COC(=O)c1cc(O)c2cc(NC(=O)CCCCCNC(N)=N)ccc2c1
BDBM50598003 COC(=O)c1cc(O)c2cc(NC(=O)CCCCCCNC(N)=N)ccc2c1
BDBM50598004 CNC(=N)NCCCCC(=O)Nc1ccc2cc(cc(O)c2c1)C(=O)OC
BDBM50597854 NCCCN(CCCCNC(N)=N)C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50597856 NCCCN(CCCNc1ccccn1)C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50598005 CNC(=N)NCCCCCC(=O)Nc1ccc2cc(cc(O)c2c1)C(=O)OC
BDBM50598006 COC(=O)c1cc(O)c2cc(NC(=O)CCCCNC(=N)N(C)C)ccc2c1
BDBM50598007 CNC(=N)NCCCCC(=O)Nc1ccc2cc(cc(O)c2c1)C(O)=O
BDBM50598008 COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(N)=N)ccc2c1
BDBM50598009 COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(N)=N)ccc2c1
BDBM50598010 COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCNC(N)=N)ccc2c1
BDBM50598011 CNC(=N)NCCCNC(=O)Nc1ccc2cc(cc(O)c2c1)C(=O)OC
BDBM50598012 CNC(=N)NCCCCNC(=O)Nc1ccc2cc(cc(O)c2c1)C(=O)OC
BDBM50598013 COC(=O)c1cc(O)c2cc(NC(=O)[C@H](CCCNC(N)=N)NC(=O)Nc3ccc(OC)cc3)ccc2c1 |r|
BDBM50598014 OC(=O)c1cc(O)c2cc(NC(=O)Nc3ccc4cc(cc(O)c4c3)C(O)=O)ccc2c1
BDBM50598015 COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(=N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
BDBM50597855 NCCCN(CCCCCNC(N)=N)C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50606100 C[C@H](Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |r,t:21|
BDBM50609300 CNCCNCc1cccc(c1)-c1nc(Nc2ccccc2)c(C)c(n1)-c1c(C)noc1C |(3.97,-25.93,;5.31,-25.16,;6.64,-25.93,;7.97,-25.16,;9.31,-25.93,;10.64,-25.16,;11.98,-25.93,;11.97,-27.48,;13.31,-28.25,;14.64,-27.48,;14.64,-25.92,;13.3,-25.16,;15.97,-25.15,;15.96,-23.62,;17.28,-22.84,;17.27,-21.3,;18.6,-20.52,;19.93,-21.29,;21.26,-20.51,;21.25,-18.97,;19.9,-18.21,;18.58,-18.99,;18.63,-23.61,;19.96,-22.83,;18.63,-25.15,;17.3,-25.92,;19.96,-25.91,;21.36,-25.27,;21.67,-23.76,;22.39,-26.41,;21.63,-27.74,;20.13,-27.43,;18.99,-28.46,)|
BDBM50612685 N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CCNC(=N)NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O |r|
BDBM50612686 C[C@@H]1[C@H](O)[C@@H](CSCCCNC(=N)NCCCC[C@@H](N)C(N)=O)O[C@H]1n1cnc2c(N)ncnc12 |r|
BDBM50612687 N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CCNC(=N)NCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O |r|
BDBM50612682 Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(O)c(O)c1 |t:8|