6947 SMILES Strings for Sigma non-opioid intracellular receptor 1

Compound Name
SMILES String
Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
C1CN(CCN1)c1cccc2OCCOc12
CCCN1CCC[C@H](C1)c1cccc(O)c1
CCCN1CCC[C@@H](C1)c1cccc(O)c1
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C |@@:20|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
CNCCCN1c2ccccc2CCc3c1cccc3
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
CN(C)CCCN1c2ccccc2CCc3c1cccc3
[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
c1ccc(cc1)C2(CCCCC2)N3CCCCC3
[#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10|
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3|
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C |TLB:6:5:20:19.13.12|
Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:16:15:7:20.4.5,21:20:7:15.13.14|
C1OC(OC1C1CCCCN1)(c1ccccc1)c1ccccc1
CCC1(OCC(O1)[C@H]1CCCCN1)c1ccccc1
CN[C@]1(CCCCC1=O)c2ccccc2Cl
CC1(COC(O1)(c1ccccc1)c1ccccc1)C1(C)CCCCN1
C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O
Cc1cccc(c1)C1(CCCCC1)N1CCCCC1
C1CNCC2=C1C(=O)NO2
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
C[C@@H](Cc1ccccc1)N
Nc1cc(c[nH]c1=O)-c1ccncc1
CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(C)=O |(1.13,.52,;1.58,1.99,;.53,3.12,;-.97,2.77,;.98,4.59,;2.48,4.94,;3.54,3.81,;3.08,2.34,;5.04,4.16,;5.49,5.63,;4.44,6.76,;2.93,6.41,;1.88,7.54,;2.33,9.01,;1.28,10.14,;3.84,9.36,;4.89,8.23,;6.09,3.03,;7.59,3.38,;8.04,4.85,;8.64,2.25,;10.14,2.6,;11.19,1.47,;10.74,-0,;12.69,1.82,;13.74,.69,;13.29,-.78,;14.34,-1.91,;13.89,-3.38,;12.39,-3.73,;11.94,-5.2,;11.34,-2.6,;13.14,3.29,;14.64,3.64,;15.69,2.51,;15.09,5.11,;14.04,6.24,;16.59,5.46,;17.04,6.93,;15.99,8.06,;18.54,7.28,;8.19,.78,;9.24,-.35,;6.69,.43,;-.07,5.72,;.38,7.19,;-1.57,5.37,;-2.62,6.5,;-2.17,7.97,;-3.22,9.1,;-2.92,10.61,;-4.27,11.35,;-5.4,10.3,;-4.75,8.91,;-4.12,6.15,;-4.57,4.68,;-5.17,7.28,;-6.67,6.93,;-6.64,5.39,;-7.96,4.6,;-9.38,5.2,;-10.39,4.04,;-9.6,2.72,;-8.1,3.06,;-7.72,8.06,;-7.27,9.53,;-9.22,7.71,;-10.38,8.72,;-11.7,7.93,;-11.36,6.43,;-9.82,6.29,;-10.42,4.87,;-10.87,3.4,;-11.95,4.69,;-12.55,3.27,;-14.08,3.08,;-14.68,1.66,;-13.76,.43,;-14.36,-.98,;-15.89,-1.17,;-16.81,.06,;-16.21,1.48,;-11.63,2.04,;-10.1,2.23,;-12.23,.62,)|
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3
[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#8])=O
CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
CCC(C)C(NC(=O)C(CCCNC(N)=N)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(N)CCCCN)C(C)CC)C(C)C)C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(O)=O)C(=O)NC(C(=O)NC(CCSC)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O)c1ccc(OS(O)(=O)=O)cc1
CCCCOC(=O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(N)Cc1c[nH]c2ccccc12
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC=C)c2c1 |TLB:8:7:19.4.5:15.13.14|
COc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:19:18:8:16.14.15,17:16:8:18.5.6|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2|
c1cc(c(cc1CCN)O)O
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
C(CC(=O)O)CN
C[N+](C)(C)CCCCCC[N+](C)(C)C
CN(C)CCCn1c2CCCCCCc2c2ccccc12
CN1CCC23CCCCC2C1Cc1ccc(O)cc31 |TLB:0:1:9:18.12.11,THB:17:18:9:1.3.2|
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
CN1CC(C=C2C1Cc1c[nH]c3cccc2c13)C(O)=O |c:4|
CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(N)CCCCN)C(=O)NC(CC(C)C)C(O)=O
Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
CC(C)(O)C1C2OC(=O)C1C1(O)CC3OC33C(=O)OC2C13C |THB:8:7:4:20.19.10|
c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:8:9:1:3.5.4,8:7:1:3.5.4,0:1:9.7:3.5.4,THB:10:4:9.7:1|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |r,TLB:16:15:1:10.4.3|
NC1=N[C@]23[C@H](O)[C@H]4O[C@@](O)(O[C@@H]([C@@H]2[C@@H](O)N1)[C@@]4(O)CO)[C@H]3O |r,t:1,TLB:9:8:4:12.11.16,21:20:4:12.11.16,16:11:20:4.6.7,16:6:20:12.11.10,THB:13:12:20:4.6.7,5:4:20:12.11.10,21:20:12.11.10:4.6.7,10:8:4:12.11.16|
CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |t:11|
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
Fc1ccc(F)c(CN2CCN(Cc3c[nH]c4ccccc34)CC2)c1
Clc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1Cl
Fc1ccc(cc1)N1CCN(Cc2cn(CN3CCN(CC3)c3ccc(F)cc3)c3ccccc23)CC1
Cc1cn(CN2CCN(CC2)c2ccc(F)cc2)c2ccccc12
Cc1cn(CN2CCN(CCc3ccccc3)CC2)c2ccccc12
Fc1ccc(cc1)N1CCN(CCCn2ccc3ccccc23)CC1
Fc1ccccc1N1CCN(CCCn2ccc3ccccc23)CC1
C(CN1CCN(CC1)c1ccccc1)Cn1ccc2ccccc12
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|
CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r|
CCCN1CCCC(C1)c1cccc(O)c1
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5
CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C
CC(Cc1ccccc1)NCCCc1ccccc1
OC1CC(OC1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c1n1ccnc1[nH]c2=O
CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1 |r|
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
CNCCC(Oc1ccccc1C)c1ccccc1
COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
CCC(=C)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1
CCC(=O)c1ccc2n(CCCN3CCCCC3)c(=O)sc2c1
CCC(=O)c1ccc2n(CCCN3CCCCC3)c(=O)oc2c1
CCCC(=C)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1
CCC(=C)c1ccc2n(CCCN3CCCCC3)c(=O)sc2c1
CCC(=C)c1ccc2n(CCCCN3CCCCC3)c(=O)sc2c1
CCCc1ccc2n(CCN3C[C@@]4(C)CCC[C@@]4(C)C3)c(=O)sc2c1 |r|
CCCc1ccc2n(CCN3CCCCC3)c(=O)oc2c1
O=C(C1CC1)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1
O=C1NC2(CCN(CCc3ccccc3)CC2)Cc2ccccc12
O=C1NC2(CCN(Cc3ccccc3)CC2)Cc2ccccc12
C(Cc1ccccc1)N1CCC2(CC1)Cc1ccccc1CN2
C(N1CCC2(CC1)Cc1ccccc1CN2)c1ccccc1
CC(=O)N1Cc2ccccc2CC11CCN(CCc2ccccc2)CC1
CN1Cc2ccccc2CC11CCN(Cc2ccccc2)CC1
CN1Cc2ccccc2CC11CCN(CCN2CCOCC2)CC1
CC(C)(C)C(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
O=C(Nc1ncnc2n(CCN3CCCCC3)ncc12)C12CC3CC(CC(C3)C1)C2 |TLB:27:26:21.22.23:29,THB:25:26:21:23.24.29|
CC(C)(C)C(=O)Nc1ncnc2n(CCN3CCCCC3)ncc12
O=C(Nc1ncnc2n(CCN3CCCCC3)ncc12)C1CCCCC1
Clc1ccc(C(=O)Nc2ncnc3n(CCN4CCCCC4)ncc23)c(Cl)c1
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Nc1ncnc2n(CCN3CCCCC3)ncc12
O=C(Nc1ncnc2n(CCN3CCCCC3)ncc12)C12CC3CC1CC(C2)C3 |TLB:21:20:22.28.23:25,27:26:23:20.21,1:20:23:28.26.25,THB:21:22:20.27:25,27:20:23:28.26.25,1:20:22.28.23:25|
CC(C)N(CCn1ncc2c(NC(=O)C(C)(C)C)ncnc12)C(C)C
O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C1CCCCC1
CC(C)N(CCn1ncc2c(NC(=O)C3CCCCC3)ncnc12)C(C)C
CC(C)N1CCN(CCn2ncc3c(NC(=O)C4CCCC4)ncnc23)CC1
CC(C)N(CCn1ncc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)ncnc12)C(C)C |TLB:21:20:23:17.16.15,THB:19:20:23.18.17:15|
O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C12CC3CC(CC(C3)C1)C2 |TLB:28:27:30:24.23.22,THB:26:27:30.25.24:22|
CC(C)N(CCn1ncc2c(NC(=O)C34C5CC33CC4CC3C5)ncnc12)C(C)C |TLB:20:21:14:16,16:15:19.20:17,18:19:22.15:17,12:14:21.22:16,12:14:21.20:18,THB:22:21:14:18,15:14:21.20:18,19:14:21.22:16,(2.42,-7.6,;2.02,-6.11,;.54,-5.71,;3.11,-5.02,;2.71,-3.53,;1.23,-3.13,;.83,-1.65,;1.73,-.4,;.83,.85,;-.64,.37,;-1.97,1.14,;-1.97,2.68,;-3.3,3.45,;-4.64,2.68,;-3.3,4.99,;-5.69,6.35,;-4.78,5.1,;-3.32,5.58,;-1.85,5.1,;-.95,6.35,;-1.85,7.6,;-3.32,7.12,;-4.78,7.6,;-3.3,.37,;-3.3,-1.17,;-1.97,-1.94,;-.64,-1.17,;4.6,-5.42,;5.69,-4.33,;5,-6.91,)|
O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C12C3CC11CC2CC1C3 |TLB:23:22:26.27:24,25:26:29.22:24,1:21:28.29:23,1:21:28.27:25,THB:22:21:28.27:25,26:21:28.29:23,27:28:21:23,29:28:21:25,(-4.43,3.12,;-3.1,3.89,;-1.77,3.12,;-1.77,1.58,;-3.1,.81,;-3.1,-.73,;-1.77,-1.5,;-.43,-.73,;1.03,-1.2,;1.43,-2.69,;2.92,-3.09,;3.32,-4.58,;2.11,-5.54,;2.11,-7.08,;3.32,-8.04,;4.82,-7.69,;5.49,-6.31,;4.82,-4.92,;1.94,.04,;1.03,1.29,;-.43,.81,;-3.1,5.43,;-5.49,6.79,;-4.58,5.55,;-3.12,6.02,;-1.65,5.55,;-.75,6.79,;-1.65,8.04,;-3.12,7.56,;-4.58,8.04,)|
Clc1ccc(C(=O)Nc2ncnc3n(CCN4CCCCCC4)ncc23)c(Cl)c1
O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C1CCOCC1
CC(C)N(CCn1ncc2c(NC(=O)C3CCCC3)ncnc12)C(C)C
O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C1CCCC1
CC(C)N1CCN(CCn2ncc3c(NC(=O)C45CC6CC(CC(C6)C4)C5)ncnc23)CC1 |TLB:24:23:18.19.20:26,THB:22:23:18:20.21.26|
Fc1ccc(cc1)C(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
CC1(C)C(C(=O)Nc2ncnc3n(CCN4CCCCCC4)ncc23)C1(C)C
FC1(F)CCC(CC1)C(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
O=C(Nc1ncnc2n(CCN3CCCC3)ncc12)C1CCCCC1
O=C(Nc1ncnc2n(CCN3CCCC3)ncc12)C1CCCC1
CC(C)(C)C(=O)Nc1ncnc2n(CCCCN3CCCCCC3)ncc12
CC(C)(C)C(=O)Nc1ncnc2n(CCCN3CCCCCC3)ncc12
CCCNC(=O)Nc1ncnc2n(CCN3CCCOCC3)ncc12
CCNC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
O=C(NC1CCCC1)Nc1ncnc2n(CCN3CCCCCC3)ncc12
O=C(NC1CCCCC1)Nc1ncnc2n(CCN3CCCCCC3)ncc12
O=C(NC1CCCC1)Nc1ncnc2n(CCN3CCCCC3)ncc12
CCNC(=O)Nc1ncnc2n(CCN3CCCCC3)ncc12
O=C(Nc1ncnc2n(CCN3CCCCC3)ncc12)NC12CC3CC(CC(C3)C1)C2 |TLB:28:27:22.23.24:30,THB:26:27:22:24.25.30|
Clc1ccc(NC(=O)Nc2ncnc3n(CCN4CCCCC4)ncc23)c(Cl)c1
CC(C)N(CCn1ncc2c(NC(=O)NC(C)(C)C)ncnc12)C(C)C
CC(C)(C)NC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Clc1ccc(NC(=O)Nc2ncnc3n(CCN4CCCCCC4)ncc23)c(Cl)c1
CC(C)(C)CC(C)(C)NC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
CCCNC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
CCCCNC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
O=C(NC1CC1)Nc1ncnc2n(CCN3CCCCCC3)ncc12
CC(C)NC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
CCCNC(=O)Nc1ncnc2n(CCCN3CCCCCC3)ncc12
CCCNC(=O)Nc1ncnc2n(CCN3CCC(CC3)C(C)(C)C)ncc12
CCCCNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12
CNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12
CCCNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12
CCNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12
S=C(NC1CC1)Nc1ncnc2n(CCN3CCCCCC3)ncc12
CC(C)(C)C1CCN(CCn2ncc3c(NC(=O)C(C)(C)C)ncnc23)CC1
CC(C)(C)C(=O)Nc1ncnc2n(CCN3CCCOCC3)ncc12
CN1CCCN(CCn2ncc3c(NC(=O)C(C)(C)C)ncnc23)CC1
CC(C)(C)C(=O)Nc1ncnc2n(CCCN3CCCCC3)ncc12
CN1CCN(CCCn2ncc3c(NC(=O)C(C)(C)C)ncnc23)CC1
CC(C)(C)C1CCN(CCCCn2ncc3c(NC(=O)C(C)(C)C)ncnc23)CC1
CCCNC(=O)Nc1ncnc2n(CCCCN3CCC(CC3)C(C)(C)C)ncc12
CCCNC(=O)Nc1ncnc2n(CCN3CCCCC3)ncc12
Clc1ncnc2n(CCN3CCCCCC3)ncc12
Cc1ccc(C)n1-c1ncnc2n(CCN3CCCCC3)ncc12 |(.38,4.29,;-.95,5.06,;-1.42,6.52,;-2.96,6.52,;-3.44,5.06,;-4.77,4.29,;-2.19,4.15,;-2.19,2.61,;-3.53,1.84,;-3.53,.3,;-2.19,-.47,;-.86,.3,;.6,-.17,;1,-1.66,;2.49,-2.06,;2.89,-3.55,;1.8,-4.64,;2.2,-6.12,;3.69,-6.52,;4.77,-5.43,;4.38,-3.95,;1.51,1.07,;.6,2.32,;-.86,1.84,)|
O=c1oc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
O=c1oc2ccccc2n1CCCN1CCN(CC1)C1CCCCC1
O=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
O=c1oc2ccccc2n1CCCCCN1CCN(CC1)C1CCCCC1
O=c1oc2ccccc2n1CCCCCCN1CCN(CC1)C1CCCCC1
O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
O=c1sc2ccccc2n1CCCN1CCN(CC1)C1CCCCC1
O=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
O=c1sc2ccccc2n1CCCCCCN1CCN(CC1)C1CCCCC1
CCCCCCCc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
CCCCCCC(=O)c1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
O=c1oc2ccccc2n1CCCCN1CCCCC1
O=c1oc2ccccc2n1CCCCCCN1CCN(Cc2ccccc2)CC1
CCC(=O)c1ccc2oc(=O)n(CCN3CCCCCC3)c2c1
CCCc1ccc2oc(=O)n(CCN3CCCCCC3)c2c1
O=C(c1ccccc1)c1ccc2n(CCN3CCCCCC3)c(=O)oc2c1
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
O=c1sc2cc(Cc3ccccc3)ccc2n1CCN1CCCCCC1
C(CCN1CCN(CC1)C1CCCCC1)CSc1nc2ccccc2o1
Brc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
CC(=O)c1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
CCc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
O=C1CCN(CCCCn2c3ccccc3oc2=O)CC1
S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
O=c1oc2ccccc2n1CCCCN1CCN(Cc2ccccc2)CC1
CN1CCN(CCCCn2c3ccccc3oc2=O)CC1
O=c1oc2ccccc2n1CCCCN1CCN(CC2CC2)CC1
Clc1ccc(cc1)C1=CCN(CCCCn2c3ccccc3oc2=O)CC1 |t:8|
O=c1oc2ccccc2n1CCCCN1CCN(CCc2ccccc2)CC1
[O-][N+](=O)c1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1
O=c1oc2ccccc2n1CCCCN1CCN(CC1)c1ccccn1
Clc1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1
Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1
O=c1oc2ccccc2n1CCCCN1CCN(CC2CCCCC2)CC1
O=c1oc2ccccc2n1CCCCN1CCC(CC1)c1ccccc1
CCc1ccc2oc(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1
Clc1ccc(cc1)C1=CCN(CCn2c3ccccc3oc2=O)CC1 |t:8|
O=c1oc2ccccc2n1CCN1CCN(CCc2ccccc2)CC1
O=c1oc2ccccc2n1CCN1CCN(CC1)c1ccccn1
Clc1ccc(cc1)N1CCN(CCn2c3ccccc3oc2=O)CC1
O=c1oc2ccccc2n1CCN1CCN(CC2CCCCC2)CC1
O=c1oc2ccccc2n1CCN1CCC(CC1)c1ccccc1
CC(=O)c1ccc2oc(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1
[O-][N+](=O)c1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
CC(=O)Nc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
COc1cc2CCN(CCCCn3c4ccccc4oc3=O)Cc2cc1OC
Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3sc2=S)CC1
COc1cc2CCN(CCCCn3c4ccccc4sc3=S)Cc2cc1OC
Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3n(-c3ccc(F)cc3)c2=O)CC1
Fc1ccc(cc1)-n1c2ccccc2n(CCCCN2CCN(CC2)C2CCCCC2)c1=O
Fc1ccc(cc1)N1CCN(CCCCn2ccc3ccccc23)CC1
C(CCn1ccc2ccccc12)CN1CCN(CC1)C1CCCCC1
Fc1ccc(cc1)-c1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
Fc1ccc(cc1)-c1cn(CCCCN2CCN(CC2)C2CCCCC2)c2ccccc12
Fc1ccc(cc1)N1CCN(CCCCn2cc(-c3ccc(F)cc3)c3ccccc23)CC1
CC(=O)c1ccc2[nH]c(=O)n(CCCCN3CCN(CC3)c3ccc(F)cc3)c2c1
COc1cc2CCN(CCCCn3ccc4ccccc34)Cc2cc1OC
COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC
Fc1ccccc1N1CCN(CCCCn2c3ccccc3oc2=O)CC1
Brc1ccc2oc(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1
Fc1ccc(cc1)-c1ccc2[nH]c(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1
S=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Cn1c2ccccc2n(CCCCN2CCN(CC2)C2CCCCC2)c1=O
Cn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
CC(=O)c1ccc2n(CCCCN3CCC(=CC3)c3ccc(F)cc3)c(=O)oc2c1 |c:15|
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3[N+]([O-])=O)c(=O)oc2c1
Cn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2N)c1=O
CC(CCCn1c2ccc(cc2oc1=O)C(C)=O)N1CCN(CC1)c1ccc(F)cc1
Cn1c2ccc(cc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O)[N+]([O-])=O
Cn1c2ccc(N)cc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
Cn1c2ccc(cc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O)N=C=S
Cn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2N=C=S)c1=O
CC(=O)c1ccc(NCCCCN2CCN(CC2)c2ccc(F)cc2)c(O)c1
Fc1ccc(N2CCN(CCCCn3c4ccccc4oc3=O)CC2)c(F)c1
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=S)oc2c1
CC(=O)c1ccc2N(CCCCN3CCN(CC3)c3ccc(F)cc3)C(=O)COc2c1
CC(=O)c1ccc2n(CC3CCCC(C3)N3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
C[C@H]1CN(C[C@@H](C)N1CCCCn1c2ccc(cc2oc1=O)C(C)=O)c1ccc(F)cc1 |r|
CC(=O)c1ccc2n(CCCCN3CCCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3[nH]c2=O)CC1
Nc1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
CC(=O)Nc1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
CC(O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
FC(F)(F)c1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1
O=c1oc2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
Cc1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1
CC(F)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
CCC(=O)c1ccc2n(CCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
CCCc1ccc2n(CCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
CCC(=O)c1ccc2n(CCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
CCCc1ccc2n(CCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
CC(CCCn1c2ccccc2sc1=O)N1CCN(CC1)C1CCCCC1
CC(CCCn1c2ccccc2sc1=S)N1CCN(CC1)C1CCCCC1
CC(CCCN1C(=O)CSc2ccccc12)N1CCN(CC1)C1CCCCC1
CC(CCCn1c2ccc(F)cc2sc1=O)N1CCN(CC1)C1CCCCC1
Fc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
Fc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=S)sc2c1
Fc1ccc2nc(SCCCCN3CCN(CC3)C3CCCCC3)sc2c1
Fc1ccc2N(CCCCN3CCN(CC3)C3CCCCC3)C(=O)CSc2c1
Clc1ccc(cc1Cl)-n1cc(NCCN2CCCCC2)nn1
Clc1ccc(c(Cl)c1)-n1cc(NCCN2CCCCC2)nn1
C(CN1CCCCC1)Nc1cn(Cc2ccccc2)nn1
Clc1ccc(cc1Cl)-n1cc(NCCN2CCOCC2)nn1
C(CN1CCOCC1)Nc1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,THB:19:18:15:21.20.22,19:20:17.18.23:15,23:18:21:14.15.22,11:14:21:17.18.19|
Clc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1Cl
Clc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1Cl
Clc1ccc(Cn2cc(NCCCN3CCCCC3)nn2)cc1Cl
Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl
Fc1cccc(c1)-n1cc(NCCN2CCCCCC2)nn1
C(CN1CCCCCC1)Nc1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:22:21:16.17.18:24,THB:20:21:16:18.19.24|
C(CN1CCCCCC1)Nc1cn(Cc2ccccc2)nn1
Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1
Fc1cccc(Cn2cc(NCCN3CCCCC3)nn2)c1
C(CN1CCCC1)Nc1cn(Cc2ccccc2)nn1
Fc1cccc(c1)-n1cc(NCCN2CCCC2)nn1
Clc1ccc(cc1Cl)-n1cc(NCCCN2CCOCC2)nn1
C(CN1CCCCC1)Nc1cn(nn1)C1CCCCC1
C(CN1CCN(CC1)C1CCCCC1)Nc1cn(nn1)C1CCCCC1
Fc1cccc(c1)-n1cc(NCCN2CCN(CC2)C2CCCCC2)nn1
Fc1cccc(c1)-n1cc(NCCN2CCCOCC2)nn1
Clc1ccc(Cn2cc(NCCN3CCCOCC3)nn2)cc1Cl
Fc1ccc(Cn2cc(NCCN3CCN(CC3)C3CCCCC3)nn2)cc1
Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1F
Clc1ccc(cc1)-n1cc(NCCN2CCCCC2)nn1
Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F
Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1
Fc1ccc(cc1F)-n1cc(NCCN2CCC(F)(F)CC2)nn1
Fc1cccc(c1)-n1cc(NCCN2CCCCC2)nn1
Fc1ccc(cc1F)-n1cc(NCCN2CCCCC2)nn1
Fc1ccc(cc1)-n1cc(NCCN2CCCCC2)nn1
C[C@H]1CCC[C@@H](C)N1CCNc1cn(Cc2ccc(F)cc2)nn1 |r|
Fc1ccc(c(F)c1)-n1cc(NCCN2CCCCC2)nn1
CC(=O)N1CCN(CCNc2cn(nn2)-c2ccc(Cl)c(Cl)c2)CC1
CC(=O)N(CCN1CCOCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:24:23:18.19.20:26,THB:22:23:18:20.21.26|
CCCN(CCCN1CCCCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1
CCN(CCN1CCOCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:25:16:23:19.20.21,THB:21:20:17:23.22.24,21:22:19.20.25:17,25:20:23:16.17.24,13:16:23:19.20.21|
CCN(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1
CCCNC(=S)N(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1
C(CN1CCCCCC1)OCc1cn2nc(sc2n1)-c1ccccc1
C(N1CCCCCC1)c1cn2cc(sc2n1)-c1ccccc1
CN1CCN(Cc2cn3cc(sc3n2)-c2ccccc2)CC1
C(CN1CCCCCC1)OCc1cn2cc(sc2n1)-c1ccccc1
C(CN1CCCC1)OCc1cn2cc(sc2n1)-c1ccccc1
CN1CCN(Cc2cn3nc(sc3n2)-c2ccccc2)CC1
C(N1CCCCCC1)c1cn2cc(nc2s1)-c1ccccc1
CN1CCN(Cc2cn3cc(sc3n2)-c2ccc(F)cc2)CC1
CCCc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1
CCCCc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1
CN(CCCNC(=O)c1ccc(cc1)C(C)(C)C)Cc1ccccc1
CN(CCCNC(=O)c1ccc(cc1)C(F)(F)F)Cc1ccccc1
CN(CCCNC(=O)c1ccc(F)cc1)Cc1ccccc1
CN(CCCNC(=O)c1ccccc1Cl)Cc1ccccc1
CN(CCCNC(=O)c1cccc(Cl)c1)Cc1ccccc1
CNc1ccccc1CNCCCNC(=O)c1ccc(Cl)cc1
CN(CCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1
CN(CCCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1
CN(CCCNC(=O)c1ccc(Cl)cc1)CCc1ccccc1
Clc1ccc(cc1)C(=O)NCCCNCN1Cc2ccccc2C1
CN(CCCNC(=O)c1ccccc1Br)Cc1ccccc1
CN(CCCNC(=O)c1cccc(Br)c1)Cc1ccccc1
CN(CCCNC(=O)c1ccc(Br)cc1)Cc1ccccc1
CN(CCCNC(=O)c1cccc(Cl)c1Cl)Cc1ccccc1
CN(CCCNC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1
CN(CCCNC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
CN(CCCNC(=O)c1cc(Cl)cc(Cl)c1)Cc1ccccc1
CN(CCCNC(=O)c1ccc(Br)cc1F)Cc1ccccc1
COc1cccc(c1)C(=O)NCCCN(C)Cc1ccccc1
COc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1
CN(CCCNC(=O)c1cccc(c1)N(C)C)Cc1ccccc1
CN(CCCNC(=O)c1ccc(cc1)C#N)Cc1ccccc1
CN(CCCNC(=O)c1ccc(cc1)[N+]([O-])=O)Cc1ccccc1
CN(CCNC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1
CN(CCNC(=O)c1ccc(cc1)C#N)Cc1ccccc1
CN(CCNC(=O)c1ccc(cc1)[N+]([O-])=O)Cc1ccccc1
O=c1sc2ccccc2n1CCCCCN1CCN(CC1)C1CCCCC1
CC(=O)c1ccc2oc(=O)n(CCCCN3CCN(CC3)c3ccc(F)cc3)c2c1
Fc1ccc(cc1)-c1ccc2oc(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1
O=C(c1ccccc1)c1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
COc1cc(CC[C@@H](C)N2Cc3ccc(Cl)cc3C2)ccc1O |r|
COc1cc(CC[C@@H](C)N2Cc3cc(Cl)c(Cl)cc3C2)ccc1O |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(cc2C1)C(F)(F)F |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cc(Cl)c(Cl)cc2C1 |r|
COc1cc(CC[C@@H](C)N2Cc3cc(OC)c(OC)cc3C2)ccc1O |r|
COc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cccc(F)c2C1 |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cc3OCOc3cc2C1 |r|
COc1cc2CN(Cc2cc1OC)[C@H](C)CCc1ccc(Cl)c(Cl)c1 |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cc3ccccc3cc2C1 |r|
CC(CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc3ccccc3c2C1
COc1cc2CN(Cc2cc1OC)[C@@H](C)CCc1ccc(Cl)c(Cl)c1 |r|
C[C@H](CCc1ccc(F)cc1)N1Cc2cccc(F)c2C1 |r|
C[C@H](CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1 |r|
C[C@H](CCc1ccc(F)cc1)N1Cc2cc3OCOc3cc2C1 |r|
C[C@H](CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cc3OCOc3cc2C1 |r|
CC(C)Oc1cc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)ccc1O |r|
CC(C)Oc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O |r|
CC(C)Oc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1O
CC(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
CC(C)Oc1cc(CCC(C)(C)N2Cc3cc4OCOc4cc3C2)ccc1O
COc1cc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)ccc1OCCO |r|
C[C@H](CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2ccc(F)cc2C1 |r|
CC(C)(CCc1ccc(F)cc1)N1Cc2cccc(F)c2C1
COc1cc2CN(Cc2cc1OC)C(C)(C)CCc1ccc(F)cc1
CC(C)(CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1
CC(C)(CCc1ccc(F)cc1)N1Cc2cc3OCOc3cc2C1
CC(C)Oc1cc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)ccc1O |r|
CC(C)Oc1ccc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)cc1OC(C)C |r|
CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cccc(F)c3C2)cc1OC(C)C |r|
CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)cc1OC(C)C |r|
C[C@H](CCc1ccc(OC(=O)N(C)C)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1 |r|
CC(C)Oc1ccc(CCC(C)(C)N2Cc3ccc(F)cc3C2)cc1OC(C)C
C[C@H](CCc1ccc(OC(=O)N(C)C)c(OC(F)(F)F)c1)N1Cc2ccc(F)cc2C1 |r|
COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1OCCO
COc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1OCCO
COC[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(F)cc2C1 |r|
COc1cc(CCC(C)(C)N2Cc3cc4OCOc4cc3C2)ccc1OCCO
COc1cc2CN(Cc2cc1OC)C(C)(C)CCc1ccc(OCCO)c(OC)c1
COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1OC(=O)N(C)C
COc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1OC(=O)N(C)C
COc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1OCCO |r|
COc1cc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)ccc1OCCO |r|
COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2c(C1)c(F)ccc2F
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(C(O)=O)c2C1
CN(C)C(=O)c1cccc2CN(Cc12)C(C)(C)CCc1ccc(O)c(OC(F)(F)F)c1
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
CN(C)C(=O)c1cccc2CN(Cc12)C(C)(C)CCc1ccc(O)c(OC(C)(C)C)c1
C[C@H](CCc1ccc(O)c(OC(C)(C)C)c1)N1Cc2c(C1)c(F)ccc2F |r|
C[C@H](CCc1ccc(O)c(OC(C)(C)C)c1)N1Cc2cccc(F)c2C1 |r|
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2ccc(cc2C1)S(C)(=O)=O
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O
C[C@H](CCc1ccc(O)c(OC(C)(C)C)c1)N1Cc2ccc(cc2C1)S(C)(=O)=O |r|
COc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O
COc1cc(CC[C@@H](C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O |r|
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(c2C1)S(C)(=O)=O
COc1cc(CC[C@@H](C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O |r|
CC(C)Oc1cc(CC[C@@H](C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O |r|
CC(C)Oc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O
C[C@H](CCc1ccc(OCCO)c(OC(F)(F)F)c1)N1Cc2ccc(F)cc2C1 |r|
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3c(C2)c(F)ccc3F)ccc1O
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3cccc(C(O)=O)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCNCC4)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)NCCN(C)C)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)NCCO)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCOCC4)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N(C)CCN(C)C)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCN(C)CC4)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCN(CC4)C(C)=O)c3C2)ccc1O
COCCNC(=O)c1cccc2CN(Cc12)C(C)(C)CCc1ccc(O)c(OC)c1
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N(C)CCO)c3C2)ccc1O
COCCN(C)C(=O)c1cccc2CN(Cc12)C(C)(C)CCc1ccc(O)c(OC)c1
CC(C)COc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O
CC(C)COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc3ccccc3c2C1 |r|
C(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCN1CCN(CCCc2ccccc2)CC1
OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1
CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1
OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
OC(CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
CC(N1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
CN1CCN(CC1)C(C)(C)C(=O)N1CCn2c(C1)cc1ccccc21
CC(CC(=O)N1CCn2c(C1)cc1ccccc21)N1CCN(C)CC1
O=C(CN1CCCCCC1)N1CCn2c(C1)cc1ccccc21
O=C(CN1CCCCC1)N1CCn2c(C1)cc1ccccc21
O=C(CN1CCC(Cc2ccccc2)CC1)N1CCn2c(C1)cc1ccccc21
CC(N1CCCCCC1)C(=O)N1CCn2c(C1)cc1ccccc21
CC(N1CCCCC1)C(=O)N1CCn2c(C1)cc1ccccc21
CC(N1CCC(Cc2ccccc2)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
CN(C)CCCC(=O)N1CCn2c(C1)cc1ccccc21
Fc1ccc2n3CCN(Cc3cc2c1)C(=O)CN1CCCCCC1
CC(N1CCCCCC1)C(=O)N1CCn2c(C1)cc1cc(C)ccc21
Cc1c2CN(CCn2c2ccccc12)C(=O)CN1CCCCC1
Cc1c2CN(CCn2c2ccccc12)C(=O)CN1CCC(Cc2ccccc2)CC1
Fc1ccc2n3CCN(Cc3cc2c1)C(=O)CCCN1CCCCC1
O=C(CCN1CCCCCC1)N1CCn2c(C1)cc1ccccc21
C[C@H](N1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21 |r|
O=C(CCCN1CCCCC1)N1CCn2c(C1)cc1ccccc21
Fc1ccc2n3CCN(Cc3cc2c1)C(=O)CCCN1CCCCCC1
CN1CCN(CCCC(=O)N2CCn3c(C2)cc2ccccc32)CC1
CC(N1CCN(CC1)C1CCCCC1)C(=O)N1CCn2c(C1)cc1ccccc21
CC(N1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1cc(F)ccc21
CC(N1CCN(CC1)C1CCCCC1)C(=O)N1CCn2c(C1)cc1cc(F)ccc21
CCN1CCN(CC1)C(C)C(=O)N1CCn2c(C1)cc1cc(F)ccc21
CCN(CC)CCNC(C)C(=O)N1CCn2c(C1)cc1ccccc21
C[C@@H](N1CCN(C)CC1)C(=O)N1CCN2[C@@H](Cc3ccccc23)C1 |r|
C[C@H](N1CCN(C)CC1)C(=O)N1CCN2[C@H](Cc3ccccc23)C1 |r|
C[C@H](N1CCN(C)CC1)C(=O)N1CCN2[C@@H](Cc3ccccc23)C1 |r|
CC(N1CCC(CC1)N1CCCCC1)C(=O)N1CCn2c(C1)cc1ccccc21
CCC(N1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
CCC(N(C)CCN(C)C)C(=O)N1CCn2c(C1)cc1ccccc21
CC(CN1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
CN(C)CCCC(=O)N1CCN2C(Cc3ccccc23)C1
CN1CCN(CC1)C(C)(C)C(=O)N1CCN2C(Cc3ccccc23)C1
CC[C@H](N1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21 |r|
C[C@H](CN1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21 |r|
C[C@@H](CN1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21 |r|
C[C@@H](CC(=O)N1CCn2c(C1)cc1ccccc21)N1CCN(C)CC1 |r|
C[C@H](CC(=O)N1CCn2c(C1)cc1ccccc21)N1CCN(C)CC1 |r|
C[C@@H](N1CCN(CC1)C1CCCCC1)C(=O)N1CCN2[C@@H](Cc3ccccc23)C1 |r|
C[C@H](N1CCN(CC1)C1CCCCC1)C(=O)N1CCN2[C@H](Cc3ccccc23)C1 |r|
C[C@H](N1CCN(CC1)C1CCCCC1)C(=O)N1CCN2[C@@H](Cc3ccccc23)C1 |r|
C[C@@H](N1CCN(CC1)C1CCCCC1)C(=O)N1CCN2[C@H](Cc3ccccc23)C1 |r|
COc1ccc(CN2CC(OC3(CC3)C2=O)C2CCN(CCc3ccccc3)CC2)cc1
O=C(N1CC(OC2(CC2)C1)C1CCN(CCc2ccccc2)CC1)c1ccccc1
COc1ccc(CN2CC(OC3(CC3)C2=O)C2CCN(Cc3ccccc3)CC2)cc1
O=C(N1CC(OC2(CC2)C1)C1CCN(Cc2ccccc2)CC1)c1ccccc1
CCN1CC(OC2(CC2)C1=O)C1CCN(Cc2ccccc2)CC1
CCN1CCC(CC1)C1CN(Cc2ccc(OC)cc2)C(=O)C2(CC2)O1
CCN1CC(OC2(CC2)C1=O)C1CCN(CCc2ccccc2)CC1
CC(C)N1CC(OC2(CC2)C1=O)C1CCN(CCc2ccccc2)CC1
O=C1N(CC(OC11CC1)C1CCN(CCc2ccccc2)CC1)c1ccccc1
O=C1N(CC(OC11CC1)C1CCN(Cc2ccccc2)CC1)c1ccccc1
CCN1CC(OC2(CC2)C1)C1CCN(CCc2ccccc2)CC1
COc1ccc(CN2CC(OC3(CC3)C2)C2CCN(Cc3ccccc3)CC2)cc1
COc1ccc(CN2CC(OC3(CC3)C2)C2CCN(CCc3ccccc3)CC2)cc1
CCN1CC(OC2(CC2)C1)C1CCN(Cc2ccccc2)CC1
COc1ccc(CN2CC(OC3(CC3)C2=O)C2CCN(CC(C)C)CC2)cc1
COc1ccc(CN2CC(OC3(CC3)C2=O)C2CCN(CCC(C)C)CC2)cc1
COc1ccc(CN2CC(OCC2=O)C2CCN(Cc3ccccc3)CC2)cc1
CCN1CC(OC2(CC2)C1=O)C1CN(CCC(C)C)C1
CCN1C[C@H](O[C@@H](C)C1=O)C1CCN(Cc2ccccc2)CC1 |r|
CCN1C[C@@H](O[C@@H](C)C1=O)C1CCN(Cc2ccccc2)CC1 |r|
CCN1C[C@H](O[C@H](C)C1=O)C1CCN(Cc2ccccc2)CC1 |r|
CCN1C[C@@H](O[C@H](C)C1=O)C1CCN(Cc2ccccc2)CC1 |r|
CCN1C[C@H](O[C@@H](C)C1=O)C1CCN(Cc2ccc(F)cc2)CC1 |r|
CCN1C[C@@H](O[C@@H](C)C1=O)C1CCN(Cc2ccc(F)cc2)CC1 |r|
CCN1C[C@H](O[C@H](C)C1=O)C1CCN(Cc2ccc(F)cc2)CC1 |r|
CCN1C[C@@H](O[C@H](C)C1=O)C1CCN(Cc2ccc(F)cc2)CC1 |r|
CCN1C[C@H](O[C@@H](C)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1 |r|
CCN1C[C@@H](O[C@@H](C)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1 |r|
CCN1C[C@H](O[C@H](C)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1 |r|
CCN1C[C@@H](O[C@H](C)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1 |r|
CCN1CC(OC2(CC2)C1=O)C1CCN(Cc2ccc(F)cc2)CC1
CCN1CC(OC2(CC2)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1
CC(C)N1CC(OC2(CC2)C1=O)C1CCN(Cc2ccccc2)CC1
CC(C)N1CC(OC2(CC2)C1=O)C1CCN(Cc2ccc(F)cc2)CC1
CC(C)N1CC(OC2(CC2)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1
CCN1CC(OC2(CC2)C1=O)C1CCN(CCC(C)C)CC1
CCN1CC(OCC1=O)C1CCN(Cc2ccccc2)CC1
CCN1CC(OC2(CC2)C1=O)C1CN(Cc2ccccc2)C1
CCN1CC(OC2(CC2)C1=O)C1CN(CCc2ccccc2)C1
CC(C)CCN1CCC(CC1)C1CN(C(=O)C2(CC2)O1)c1ccccc1
O=C1N(CC(OC11CC1)C1CN(Cc2ccccc2)C1)c1ccccc1
COc1ccc(CN2CC(OC3(CC3)C2)C2CCN(CC(C)C)CC2)cc1
COc1ccc(CN2CC(OC3(CC3)C2)C2CCN(CCC(C)C)CC2)cc1
CCN1CC(OC2(CC2)C1)C1CCN(CCC(C)C)CC1
COc1ccc(CN2CCOC(C2)C2CCN(Cc3ccccc3)CC2)cc1
CCN1CCOC(C1)C1CCN(Cc2ccccc2)CC1
CC(C)CCN1CCC(CC1)C1CN(CC2(CC2)O1)C(=O)c1ccccc1
CCN1CC2(CCCN(CCC(C)C)C2)OC2(CC2)C1=O
CCN1CC2(CCCN(CCc3ccccc3)C2)OC2(CC2)C1=O
CCN1CC2(CCCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
CCN1CC2(CCCN(CCC(C)C)CC2)OC2(CC2)C1=O
CCN1CC2(CN(CCc3ccccc3)C2)OC2(CC2)C1=O
CCN1CC2(CN(CCC(C)C)C2)OC2(CC2)C1=O
O=C1N(CC2(CCCN(CCc3ccccc3)C2)OC11CC1)c1ccccc1
CC(C)CCN1CCCC2(C1)CN(C(=O)C1(CC1)O2)c1ccccc1
O=C1N(CC2(CCCN(CCc3ccccc3)CC2)OC11CC1)c1ccccc1
CC(C)CCN1CCCC2(CN(C(=O)C3(CC3)O2)c2ccccc2)CC1
CCN1CC2(CCCN(Cc3ccccc3)C2)OC2(CC2)C1=O
CCN1CC2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
CCN1CC2(CN(Cc3ccccc3)C2)OC2(CC2)C1=O
O=C1N(CC2(CCCN(Cc3ccccc3)CC2)OC11CC1)c1ccccc1
O=C1N(CC2(CCCN(Cc3ccccc3)C2)OC11CC1)c1ccccc1
CCN1CC2(CC2)OC2(C1)CCCN(CCc1ccccc1)CC2
CCN1CC2(CC2)OC2(CCCN(Cc3ccccc3)C2)C1
CCN1CC2(CC2)OC2(CCCN(CCc3ccccc3)C2)C1
C(Cc1ccccc1)N1CCCC2(C1)CN(CC1(CC1)O2)c1ccccc1
CC(C)CCN1CCCC2(C1)CN(CC1(CC1)O2)c1ccccc1
C(N1CCCC2(CN(CC3(CC3)O2)c2ccccc2)CC1)c1ccccc1
C(Cc1ccccc1)N1CCCC2(CN(CC3(CC3)O2)c2ccccc2)CC1
C(N1CCCC2(C1)CN(CC1(CC1)O2)c1ccccc1)c1ccccc1
O=C(N1CC2(CC2)OC2(CCCN(CCc3ccccc3)C2)C1)c1ccccc1
CC(C)CCN1CCCC2(C1)CN(CC1(CC1)O2)C(=O)c1ccccc1
CC(C)CN1CCCC2(C1)CN(CC1(CC1)O2)C(=O)c1ccccc1
O=C(N1CC2(CC2)OC2(C1)CCCN(CCc1ccccc1)CC2)c1ccccc1
CC(C)CCN1CCCC2(CN(CC3(CC3)O2)C(=O)c2ccccc2)CC1
CC(C)CN1CCCC2(CN(CC3(CC3)O2)C(=O)c2ccccc2)CC1
CCN1CC2(CCCN(CCc3ccccc3)CC2)OC(C)(C)C1=O
CCN1CC2(CCCN(CCC(C)C)CC2)OC(C)(C)C1=O
CCN1CC2(CCCN(CC(C)C)CC2)OC(C)(C)C1=O
O=C1N(Cc2ccccc2)CC2(CN(CCc3ccccc3)C2)OC11CC1
CC1(C)CN(CC2(CCCN(CCc3ccccc3)CC2)O1)C(=O)c1ccccc1
CCN1CC2(CN(CCOC(C)C)C2)OC2(CC2)C1=O
CCN1CC2(CN(CCC(C)C)C2)O[C@H](C)C1=O |r|
CCN1CC2(CN(CCC(C)C)C2)O[C@@H](C)C1=O |r|
CCN1CC2(CN(CC(C)C)C2)O[C@H](C)C1=O |r|
CCN1CC2(CN(CC(C)C)C2)O[C@@H](C)C1=O |r|
CC(C)CCN1CC2(C1)CN(C(C)C)C(=O)[C@@H](C)O2 |r|
CC(C)CCN1CC2(C1)CN(C(C)C)C(=O)[C@H](C)O2 |r|
CC(C)CN1CC2(C1)CN(C(C)C)C(=O)[C@@H](C)O2 |r|
CC(C)CN1CC2(C1)CN(C(C)C)C(=O)[C@H](C)O2 |r|
CC(C)N1CC2(CN(CCC(C)(C)C)C2)O[C@@H](C)C1=O |r|
CC(C)N1CC2(CN(CCC(C)(C)C)C2)O[C@H](C)C1=O |r|
CCN1C[C@@]2(CCCN(CCC(C)C)CC2)O[C@H](C)C1=O |r|
CCN1C[C@]2(CCCN(CCC(C)C)CC2)O[C@H](C)C1=O |r|
CCN1C[C@@]2(CCCN(CCC(C)C)CC2)O[C@@H](C)C1=O |r|
CCN1C[C@]2(CCCN(CCC(C)C)CC2)O[C@@H](C)C1=O |r|
CC(C)OCCN1CCCC2(CN(CC(C)(C)O2)C(=O)c2ccccc2)CC1
O=C(N1CC2(CC2)OC2(CCCN(Cc3ccccc3)C2)C1)c1ccccc1
O=C(N1CC2(CC2)OC2(C1)CCCN(Cc1ccccc1)CC2)c1ccccc1
CCN1CC2(CCCN(Cc3ccccc3)CC2)OC(C)(C)C1=O
CCN1CC2(CCCN(Cc3ccc(cc3)C#N)CC2)OC(C)(C)C1=O
CCN1C[C@@]2(CCCN(Cc3ccccc3)CC2)O[C@H](C)C1=O |r|
CCN1C[C@]2(CCCN(Cc3ccccc3)CC2)O[C@H](C)C1=O |r|
CCN1C[C@@]2(CCCN(Cc3ccccc3)CC2)O[C@@H](C)C1=O |r|
CCN1C[C@]2(CCCN(Cc3ccccc3)CC2)O[C@@H](C)C1=O |r|
CCN1C[C@@]2(CCCN(Cc3ccc(F)cc3)CC2)O[C@H](C)C1=O |r|
CCN1C[C@]2(CCCN(Cc3ccc(C)cc3)CC2)O[C@H](C)C1=O |r|
CCN1C[C@@]2(CCCN(Cc3ccc(C)cc3)CC2)O[C@@H](C)C1=O |r|
CCN1C[C@]2(CCCN(Cc3ccc(C)cc3)CC2)O[C@@H](C)C1=O |r|
CCN1C[C@@]2(CCCN(Cc3ccc(cc3)C#N)CC2)O[C@H](C)C1=O |r|
CCN1C[C@]2(CCCN(Cc3ccc(cc3)C#N)CC2)O[C@H](C)C1=O |r|
CCN1C[C@@]2(CCCN(Cc3ccc(cc3)C#N)CC2)O[C@@H](C)C1=O |r|
CCN1C[C@]2(CCCN(Cc3ccc(cc3)C#N)CC2)O[C@@H](C)C1=O |r|
CN1CC2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
CN1CC2(CCCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O
CN1CC2(CCCN(Cc3ccc(cc3)C#N)CC2)OC2(CC2)C1=O
CCN1CC2(CN(CC(C)(C)C)C2)O[C@@H](C)C1=O |r|
CCN1CC2(CN(CC(C)(C)C)C2)O[C@H](C)C1=O |r|
CC(C)N1CC2(CN(CC(C)(C)C)C2)O[C@@H](C)C1=O |r|
CC(C)N1CC2(CN(CC(C)(C)C)C2)O[C@H](C)C1=O |r|
C(N1CCCC2(C1)CN(Cc1ccccc1)CC1(CC1)O2)c1ccccc1
C(Cc1ccccc1)N1CCCC2(C1)CN(Cc1ccccc1)CC1(CC1)O2
CC(C)CCN1CCCC2(C1)CN(Cc1ccccc1)CC1(CC1)O2
CC(C)CN1CCCC2(C1)CN(Cc1ccccc1)CC1(CC1)O2
C(N1CC2(CC2)OC2(C1)CCCN(Cc1ccccc1)CC2)c1ccccc1
C(Cc1ccccc1)N1CCCC2(CN(Cc3ccccc3)CC3(CC3)O2)CC1
CC(C)CCN1CCCC2(CN(Cc3ccccc3)CC3(CC3)O2)CC1
CC(C)CN1CCCC2(CN(Cc3ccccc3)CC3(CC3)O2)CC1
CCN1CC(C)(C)OC2(C1)CCCN(Cc1ccccc1)CC2
CCN1CC(C)(C)OC2(C1)CCCN(CCc1ccccc1)CC2
CCN1CC2(CC2)OC2(C1)CCCN(CCC(C)C)CC2
CCN1CC(C)(C)OC2(C1)CCCN(CC(C)C)CC2
C(Cc1ccccc1)N1CC2(C1)CN(Cc1ccccc1)CC1(CC1)O2
O=C(N1CC2(CC2)OC2(CN(CCc3ccccc3)C2)C1)c1ccccc1
CCN1C[C@]2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O |r|
CC1(C)CN(C[C@]2(CCCN(CCc3ccccc3)CC2)O1)C(=O)c1ccccc1 |r|
O=C(CS(=O)C(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
C(N1Cc2ccc(cc2C1)N1CCOCC1)c1ccccc1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1
Clc1cc(Cl)cc(CN2Cc3ccc(cc3C2)N2CCOCC2)c1
CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
CC(=C)CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CCOC(=O)CCN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CN1CCN(CC1)c1ccc2CN(Cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Clc1cc(Cl)cc(c1)S(=O)(=O)N1Cc2ccc(cc2C1)N1CCN(CC=C)CC1
C(N1CCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCC1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
CN1CCN(CC1)c1ccc2CN(CCc2c1)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCCC1
CC(=C)CN1CCN(CC1)c1ccc2CN(CCc2c1)C(=O)OCc1ccccc1
CC(=C)CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
C=CCN1CCN(CC1)c1ccc2CN(CCc2c1)C(=O)OCc1ccccc1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
CN1CCN(CC1)c1ccc2CCN(Cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)N1CCN(CC=C)CC1
CCCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Clc1cc(Cl)cc(CN2CCc3ccc(cc3C2)N2CCOCC2)c1
CN1CCN(CC1)c1cccc2CCN(Cc12)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1CCc2cccc(N3CCN(CC3)C3CCCC3)c2C1
CCOC(=O)CCN1CCN(CC1)c1cccc2CCN(Cc12)C(=O)OCc1ccccc1
C(N1CCCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
Clc1cc(Cl)cc(CN2CCCc3ccc(cc3C2)N2CCOCC2)c1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCCc2c1
CN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
CN1CCN(CC1)c1ccc2CN(CCCc2c1)C(=O)OCc1ccccc1
CCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
CC(=C)CN1CCN(CC1)c1ccc2CN(CCCc2c1)C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
C=CCN1CCN(CC1)c1ccc2CN(CCCc2c1)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1CCCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
CN1CCN(CC1)c1ccc2CCCN(Cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
CC(=C)CN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCCc2ccc(cc2C1)N1CCN(CC=C)CC1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
CN[C@@]1(CCCC[C@@H]1NCCCN1CCCC1)c1ccccc1Cl
CN[C@]1(CCCC[C@@H]1NCCCN1CCCC1)c1ccccc1Cl
CN[C@@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl
CN[C@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl
CN[C@@]1(CCCC[C@@H]1NCCCc1ccccc1)c1ccccc1Cl
CN[C@]1(CCCC[C@@H]1NCCCc1ccccc1)c1ccccc1Cl
CN[C@@]1(CCCC[C@@H]1NCCCN1CCN(C)CC1)c1ccccc1Cl
CN[C@]1(CCCC[C@@H]1NCCCN1CCN(C)CC1)c1ccccc1Cl
Clc1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1 |r,TLB:22:21:10.8.9:6,11:8:4.21:6,THB:3:4:10.8.9:6|
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCOCC1 |r,TLB:20:21:12.10.11:14,1:10:21.16:14,THB:17:16:12.10.11:14|
[H][C@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1cc(ccc21)N1CCOCC1 |r,TLB:16:15:2:5.13.14,6:5:2:20.15,THB:19:20:2:5.13.14|
Clc1cc(Cl)cc(CN2CC[C@@H]3C[C@@H]2c2cc(ccc32)N2CCOCC2)c1 |r,TLB:18:19:10.8.9:12,7:8:19.14:12,THB:15:14:10.8.9:12|
Fc1ccccc1CN1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCOCC1 |r,TLB:18:19:10.8.9:12,7:8:19.14:12,THB:15:14:10.8.9:12|
C(N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCCCC1)c1ccccc1 |r,TLB:11:12:3.1.2:5,0:1:12.7:5,THB:8:7:3.1.2:5|
Clc1cccc(CN2CC[C@@H]3C[C@@H]2c2cc(ccc32)N2CCCCC2)c1 |r,TLB:17:18:9.7.8:11,6:7:18.13:11,THB:14:13:9.7.8:11|
C(N1CC[C@@H]2C[C@@H]1c1cc(ccc21)-c1ccc2OCOc2c1)c1ccccc1 |r,TLB:11:12:3.1.2:5,0:1:12.7:5,THB:8:7:3.1.2:5|
CN1CC[C@@H]2C[C@@H]1c1cc(ccc21)-c1ccc(cc1)C(F)(F)F |r,TLB:11:12:3.1.2:5,0:1:12.7:5,THB:8:7:3.1.2:5|
FC(F)(F)c1ccc(cc1)-c1ccc2[C@H]3C[C@@H](N(CCc4ccccc4)CC3)c2c1 |r,TLB:29:28:27.17.26:15,18:17:13.28:15,THB:12:13:27.17.26:15|
CN1CC[C@@H]2C[C@@H]1c1cc(ccc21)-c1cccc(C)c1 |r,TLB:11:12:3.1.2:5,0:1:12.7:5,THB:8:7:3.1.2:5|
Cc1cccc(c1)-c1ccc2[C@H]3C[C@@H](N(Cc4ccc5OCOc5c4)CC3)c2c1 |r,TLB:28:27:26.14.25:12,15:14:10.27:12,THB:9:10:26.14.25:12|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](NCC3)c2c1 |r,TLB:18:17:16.14.15:12,THB:9:10:16.14.15:12|
[H][C@]12C[C@@]([H])(N(CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cc(ccc21)N1CCN(C)CC1 |r,TLB:8:5:2:24.19,20:19:2:5.6.7,THB:23:24:2:5.6.7|
CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)S(=O)(=O)c3ccccc3)c2c1 |r,TLB:17:14:10.26:12,27:26:16.14.15:12,THB:9:10:16.14.15:12|
CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)CCc3ccccc3)c2c1 |r,TLB:17:14:10.27:12,28:27:16.14.15:12,THB:9:10:16.14.15:12|
CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCC=C)c2c1 |r,TLB:17:14:10.23:12,24:23:16.14.15:12,THB:9:10:16.14.15:12|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC=C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
C=CCCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1 |r,TLB:20:17:13.30:15,31:30:19.17.18:15,THB:12:13:19.17.18:15|
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc2-[#6@H]-3-[#6]-[#6@@H](-[#7](-[#6]-[#6]-3)-[#6](=O)-[#8]-[#6]-c3ccccc3)-c2c1 |r,TLB:21:18:14.31:16,32:31:20.18.19:16,THB:13:14:20.18.19:16|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC(=O)OCC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC(C)=C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
CC(C)(CCN1CCC(CC1)C1CCOCC1)c1ccc(cc1)C(F)(F)F
CC(CC(C)(C)c1ccc(cc1)C(F)(F)F)N1CCC(CCO)CC1
COCCCC1CCN(CCC(C)(C)c2ccc(cc2)C(F)(F)F)CC1
COC1CCN(CC1)C(C)CC(C)(C)c1ccc(cc1)C(F)(F)F
CC(CC(C)(C)c1ccc(cc1)C(F)(F)F)N1CCC(CO)CC1
CC(C)(CCN1CCC(O)CC1)c1ccc(Cl)cc1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
COC1CCN(CCC(C)(C)c2ccc(Cl)cc2)CC1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
CCC(C)(O)CCNC(C)CC(C)(C)c1ccc(cc1)C(F)(F)F
CC(CC(C)(C)c1ccc(cc1)C(F)(F)F)N1CCC(O)CC1
CC(C)(CCN1CCC(C)(O)CC1)c1ccc(cc1)C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(CO)CC1
CC(C)(CCN1CCC(O)CC1)c1ccc(cc1)C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]-[#8]-c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-1
CC(CC(C)(C)c1ccc(F)cc1)N1CCC(CO)CC1
CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(O)CC1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]-[#6]-c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(C)(O)CC1
[#6]-[#8]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)\[#6]=[#6](/[#6])-[#6]
CC(CC(C)(C)c1ccc(F)cc1)N1CCC(O)CC1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#8])-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]C([#6])([#6])[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]C([#6])([#6])[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]C2([#6]-[#6]-[#8]-[#6]-[#6]2)[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#8])-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]C2([#6]-[#6]-[#8]-[#6]-[#6]2)[#6]-[#6]-1
[#6]-[#6]-1-[#6]-[#6](-[#6]-[#6](-[#6])-[#8]-1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-1
[#6]-[#8]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)\[#6]=[#6](\[#6])-[#6]
[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]C2([#6]-[#6]-[#8]-[#6]-[#6]2)[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#8])-[#6]-[#6]-1
[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)\[#6]=[#6](\[#6])-[#6]
[#6]-[#6](-[#6])-[#8]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#7])-[#6]C([#6])([#6])c1ccc(F)cc1
[#6]-[#6](-[#6])-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)\[#6]=[#6](/[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#8])-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](F)-[#6]-[#6]-1
[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#8])-[#6]-[#6]-1
[#6]-[#6]-[#8]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]C([#6])([#8])[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]-[#6]-c1ccc(-[#6])cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-[#6]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6])=O
[#6]\[#6](-[#6])=[#6]\[#6](-[#7])-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]C([#6])([#8])[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#7])-[#6]C([#6])([#6])c1ccc(Cl)cc1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6])=O
[#6]\[#6](-[#6])=[#6]/[#6](-[#6]C([#6])([#6])c1ccc(cc1)S([#6])(=O)=O)-[#7]-1-[#6]-[#6]C2([#6]-[#6]-[#8]-[#6]-[#6]2)[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6@@H](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r|
COC[C@H]1CCCN1C(C)CC(C)(C)c1ccc(Cl)cc1 |r|
COC[C@H]1CCCN1[C@H](C)CC(C)(C)c1ccc(cc1)C(F)(F)F |r|
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#8]-[#6]-2-[#6]-[#6]-[#8]-[#6]-2)-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#8]-[#6]-2-[#6]-[#6]-[#8]-[#6]-2)-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]-[#8]-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]-[#8]-c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6]-c1ccccc21
CN[C@]1(CCCCC1NCCCN1CCCC1)c1ccccc1Cl
COc1ccc2C[C@@H]3[C@H]4CCCC[C@]4(CCN3C)c2c1 |THB:17:16:8:18.6.5|
[H][C@]12Cc3ccc(O)cc3[C@@]3(CCCC[C@]13[H])CCN2C |r,THB:20:19:15:2.9.3|
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(C)cc31 |THB:8:9:18.12.11:3.2.1|
CN1C[C@@]23CCCCC2[C@@H]1Cc1ccc(O)c(Br)c31 |TLB:0:1:8:18.11.10|
CN1CC[C@@]23CCCCC2C1Cc1ccc(OCC(F)F)c(Br)c31 |r,THB:21:23:9:1.2.3,13:12:9:1.2.3|
COc1ccc2C[C@H]3C4CCCC[C@@]4(CN3C)c2c1Br |TLB:16:15:8:17.5.6|
COc1cc2c(C[C@H]3C4CCCC[C@@]24CN3C)cc1Br |THB:16:15:8:4.5.6|
COc1ccc2C=CC3CCCCC3(CN(C)CC=C)c2c1 |c:6|
CN(CC=C)CC12CCCCC1C=Cc1ccc(OC(F)F)cc21 |c:13|
COCCN(C)CC12CCCCC1(C)C=Cc1ccc(C)cc21 |c:15|
COCCNCCC12CCCCC1(C)C=Cc1ccc(C)cc21 |c:15|
CN1CCC23CCCCC2C1Cc1ccc(OCC(F)F)cc31 |THB:0:1:9:22.12.11,21:22:9:1.3.2|
Oc1ccc2CC3NCCC4(CCCCC34)c2c1 |THB:17:16:15:7.9.8|
CN1CCC23CCCCC2C1Cc1ccc(OCC(F)(F)F)cc31 |TLB:0:1:9:23.12.11,THB:22:23:9:1.3.2|
COCCCN1CCC23CCCCC2C1Cc1ccc(OCC(F)(F)F)cc31 |TLB:4:5:13:27.16.15,THB:26:27:13:5.7.6|
FC(F)COc1ccc2CC3NCCC4(CCCCC34)c2c1 |THB:21:20:19:11.13.12|
CCN1CC2(CCN(CCC(C)C)CC2)OC2(CC2)C1=O
CCN1CC2(CCN(CCC(C)C)CC2)OCC1=O
CC(C)CCN1CCC2(CC1)CN(C)C(=O)C1(CC1)O2
CCN1CC2(CCN(CCC(C)C)CC2)O[C@H](C)C1=O |r|
CC(C)CCN1CCC2(CC1)CN(C(C)C)C(=O)C1(CC1)O2
CCN1CC2(CCN(CC(C)C)CC2)OC2(CC2)C1=O
CCN1CC2(CCN(CCC(C)C)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(CCOC(C)C)CC2)OC2(CC2)C1=O
CCCN1CC2(CCN(CCC(C)C)CC2)OC2(CC2)C1=O
CC(C)CCN1CCC2(CC1)CN(CC(C)C)C(=O)C1(CC1)O2
CCN1CC2(CCN(CCOC3=CCCC=C3)CC2)OC2(CC2)C1=O |c:15,t:11|
CCCCN1CCC2(CC1)CN(CC)C(=O)C1(CC1)O2
CCOCCN1CCC2(CC1)CN(CC)C(=O)C1(CC1)O2
CCN1CC2(CCN(CC2)C2CCCC2)OC2(CC2)C1=O
CCN1CC2(CCN(CCC(C)C)CC2)OC(C)(C)C1=O
CCN1CC2(CCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O
CCN1CC2(CCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
CN1CC2(CCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
CCN1CC2(CCN(Cc3ccccc3)CC2)O[C@H](C)C1=O |r|
CC(C)N1CC2(CCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
CCN1CCC2(CC1)CN(CC)C(=O)C1(CC1)O2
CCN1CC2(CCN(Cc3ccccc3)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(Cc3cccc(F)c3)CC2)OC2(CC2)C1=O
CCN1CC2(CCN(CC3=CC(F)C(F)C=C3)CC2)OC2(CC2)C1=O |c:15,t:9|
CCN1CC2(CCN(Cc3cccnc3)CC2)OC2(CC2)C1=O
CCCN1CC2(CCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
CC(C)CN1CC2(CCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
CCN1CC2(CCN(Cc3ccncc3)CC2)OC2(CC2)C1=O
CCN1CC2(CCN(Cc3ccccn3)CC2)OC2(CC2)C1=O
CCCN1CCC2(CC1)CN(CC)C(=O)C1(CC1)O2
CCN1CC2(CCN(Cc3ccccc3F)CC2)OC2(CC2)C1=O
CCN1CC2(CCN(Cc3ccccc3)CC2)OC(C)(C)C1=O
CCN1CC2(CCN(CC2)C2CCC2)OC2(CC2)C1=O
CCN1CC2(CCN(CC2)C2CCCCC2)OC2(CC2)C1=O
CCN1CC2(CCN(CC2)C2CCOCC2)OC2(CC2)C1=O
CC(C)N1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1=O
CC(C)N1CCOC2(CCN(CCc3ncccc3F)CC2)C1
CC(C)N1CC2(CCN(CCc3ncccc3F)CC2)O[C@@H](C)C1=O |r|
CC(C)N1C[C@@H](C)OC2(CCN(CCc3ncccc3F)CC2)C1 |r|
CCCN1CC2(CC2)OC2(CCN(CCc3ncccc3F)CC2)C1
CCN1CC2(CC2)OC2(CCN(CCc3ncccc3F)CC2)C1
CC(C)CN1CC2(CC2)OC2(CCN(CCc3ncccc3F)CC2)C1
CN1CC2(CC2)OC2(CCN(CCc3ncccc3F)CC2)C1
CC(C)CCN1CCC2(CC1)CN(C(C)C)C(=O)[C@H](C)O2 |r|
CC(C)CCN1CCC2(CC1)CN(C(C)C)C(=O)C(C)(C)O2
CC(C)CN1CC2(CC2)OC2(CCN(CCc3cc(F)ccc3F)CC2)C1
COc1cccc(CCN2CCC3(CC2)CN(CC(C)C)CC2(CC2)O3)n1
CCCN1CC2(CCN(CCC(C)(C)C)CC2)OCC1=O
CCCN1CC2(CCN(CCC(C)C)CC2)OCC1=O
CC(C)N1CC2(CCN(CCC(C)(C)C)CC2)OCC1=O
CCN1CC2(CCN(CCC(C)(C)C)CC2)OCC1=O
CCN1CC2(CCN(CCC(C)(C)C)CC2)O[C@@H](C)C1=O |r|
CC(C)CCN1CCC2(CC1)CN(C(C)C)C(=O)CO2
CCCN1CC2(CCN(CCC(C)C)CC2)OC(C)(C)C1=O
CCCN1CC2(CCN(CCC(C)C)CC2)O[C@@H](C)C1=O |r|
CC(C)CCN1CCC2(CC1)CN(C1CC1)C(=O)CO2
CC(C)OCCN1CCC2(CC1)CN(C(C)C)C(=O)[C@H](C)O2 |r|
CC(C)CCN1CCC2(CC1)CN(C1CC1)C(=O)[C@H](C)O2 |r|
CCOCCN1CCC2(CC1)CN(C1CC1)C(=O)CO2
CCN1CC2(CCN(CCOC(C)C)CC2)O[C@@H](C)C1=O |r|
CC(C)OCCN1CCC2(CC1)CN(C(C)C)C(=O)C(C)O2
CC(C)OCCN1CCC2(CC1)CN(C1CC1)C(=O)[C@H](C)O2 |r|
CCN1CC2(CCN(CCC3CC3)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(CCC3CC3)CC2)OCC1=O
CC(C)N1CC2(CCN(CCC3CC3)CC2)O[C@@H](C)C1=O |r|
CCCN1CC2(CCN(CCOC(C)C)CC2)O[C@@H](C)C1=O |r|
CN1CC2(CCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O
CCN1CC2(CCN(Cc3ccc(F)cc3)CC2)OC(C)(C)C1=O
CC(C)N1CC2(CCN(Cc3ccc(F)cc3)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(Cc3ccc(F)cc3)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(Cc3ccc(F)cc3)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(Cc3ccc(Cl)cc3)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(Cc3ccc(Cl)cc3)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(Cc3ccc(cc3)C#N)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(Cc3ccc(OC)cc3)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(Cc3ccc(Cl)cc3)CC2)OC(C)(C)C1=O
CCN1CC2(CCN(Cc3ccc(cc3)C#N)CC2)OC(C)(C)C1=O
CCN1CC2(CCN(Cc3ccc(OC)cc3)CC2)OC(C)(C)C1=O
CCN1CC2(CCN(CC(C)(C)C)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(Cc3ccc(OC)cc3)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(Cc3ccc(cc3)C#N)CC2)O[C@@H](C)C1=O |r|
C[C@H]1OC2(CCN(Cc3ccc(cc3)C#N)CC2)CN(C)C1=O |r|
CC(C)N1CC2(CCN(Cc3ccc(cc3)C#N)CC2)O[C@@H](C)C1=O |r|
C[C@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)CN(C)C1=O |r|
C[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)CN(C2CC2)C1=O |r|
C[C@@H]1OC2(CCN(Cc3ccccc3)CC2)CN(C2CC2)C1=O |r|
C[C@@H]1OC2(CCN(Cc3ccc(cc3)C#N)CC2)CN(C2CC2)C1=O |r|
C[C@@H]1OC2(CCN(Cc3ccc(cc3)C#N)CC2)CN(C)C1=O |r|
C[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)CN(C)C1=O |r|
C[C@@H]1OC2(CCN(Cc3ccccc3)CC2)CN(C)C1=O |r|
C[C@@H]1OC2(CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CN(C)C1=O |r|
CCN1CC2(CCN(Cc3cccc(c3)C#N)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(Cc3ccc(C#N)c(F)c3)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(Cc3ccc(F)c(c3)C#N)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(Cc3ccc(F)cc3F)CC2)O[C@@H](C)C1=O |r|
CC(C)N1CC2(CCN(Cc3cccc(c3)C#N)CC2)O[C@@H](C)C1=O |r|
CC(C)N1CC2(CCN(Cc3ccccc3)CC2)O[C@@H](C)C1=O |r|
CC(C)N1CC2(CCN(Cc3ccccc3)CC2)O[C@H](C)C1=O |r|
CC(C)N1CC2(CCN(Cc3ccc(F)cc3)CC2)O[C@H](C)C1=O |r|
CC(C)N1CC2(CCN(Cc3ccc(cc3)C#N)CC2)O[C@H](C)C1=O |r|
CC(C)CN1CC2(CC2)OC2(CCN(CCc3ncccc3Cl)CC2)C1
CC(C)CN1CC2(CC2)OC2(CCN(CCc3ncccc3C#N)CC2)C1
CC(C)CCN1CC2(CC2)OC2(CCN(CCc3ncccc3F)CC2)C1
CC(C)(C)CN1CC2(CC2)OC2(CCN(CCc3ncccc3F)CC2)C1
CCC(C)N1CC2(CC2)OC2(CCN(CCc3ncccc3F)CC2)C1
CCN1CC(C)(C)OC2(CCN(CCc3ncccc3F)CC2)C1
CCN1C[C@H](C)OC2(CCN(CCc3ncccc3F)CC2)C1 |r|
CCCN1C[C@H](C)OC2(CCN(CCc3ncccc3F)CC2)C1 |r|
CC(C)N1CC(C)OC2(CCN(CCc3ccccc3)CC2)C1
CC1CN(CCC2CC2)CC2(CCN(CCc3ccccc3)CC2)O1
C(Cc1ccccc1)N1CCC2(CC1)CN(CC1CC1)CCO2
CCN1CC(C)OC2(CCN(CCc3ccccc3)CC2)C1
CC(C)N1CC(C)(C)OC2(CCN(CCc3ccccc3)CC2)C1
CCCN1CCC(CC1)c1cccc(c1)S(C)(=O)=O
CCCN1CCC(O)(CC1)c1cccc(c1)S(C)(=O)=O
CCCN1CC[C@H]([C@@H](O)C1)c1cccc(c1)S(C)(=O)=O |r|
CCCN1CCC([C@H](O)C1)c1cccc(c1)S(C)(=O)=O |r|
Fc1ccc(cc1F)-c1cc(COCCN2CCOCC2)on1
Fc1ccc(cc1F)-c1cc(CN2CCOCC2)on1
Fc1ccc(cc1F)-c1cc(CN2CC[Se]CC2)on1
OC1CCN(Cc2cc(no2)-c2ccc(F)c(F)c2)CC1
O[C@H]1CCN(Cc2cc(no2)-c2ccc(F)c(F)c2)C1 |r|
OC[C@H]1CCCN1Cc1cc(no1)-c1ccc(F)c(F)c1 |r|
OC[C@@H]1CCCN1Cc1cc(no1)-c1ccc(F)c(F)c1 |r|
O[C@@H]1CCN(Cc2cc(no2)-c2ccc(Cl)c(Cl)c2)C1 |r|
OC[C@H]1CCCN1Cc1cc(no1)-c1ccc(Cl)c(Cl)c1 |r|
OCCC1CCN(Cc2cc(no2)-c2ccc(Cl)c(Cl)c2)CC1
OC1CCN(CCOCc2cc(no2)-c2ccc(Cl)c(Cl)c2)CC1
Clc1ccc(cc1Cl)-c1noc(COCCN2CCOCC2)c1Br
CC1COCC(C)N1CCOCc1onc(c1Br)-c1ccc(Cl)c(Cl)c1
Fc1ccc(cc1F)-c1cc(CN2CCC(=O)CC2)on1
CC(=O)N1CCN(CCOCc2ccn(n2)-c2ccc(F)c(F)c2)CC1
C(N1CCOCC1)c1cccc2n(ccc12)-c1ccncc1
CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC
COc1cc(CC(C)N)c(OC)cc1Br
COc1cc(cc(c1OC)OC)CCN
COc1cc(CCN)c(OC)cc1Br
CN(C)CCc1c[nH]c2c1cccc2
CN(C)CCc1c[nH]c2c1c(ccc2)O
CN(C)CCc1c[nH]c2c1cc(cc2)OC
CCSc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CC(C)N)cc1OC
CCOc1cc(OC)c(CC(C)N)cc1OC
COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1
CC(C)N(CCc1c[nH]c2ccccc12)C(C)C
COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1
CCCN(CCC)CCc1c[nH]c2ccccc12
CCSc1cc(OC)c(CC(N)CC)cc1OC
CN(C)CCc1c[nH]c2cc(F)ccc12
NCCc1c2CCOc2c(Br)c2CCOc12
COc1cc(CC(C)N)c(OC)cc1C
COc1cc(CC(C)N)cc(OC)c1OC
CCc1cc(OC)c(CC(C)N)cc1OC
CCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
C[C@@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1
CN(CCN1CCCCC1)CCc1ccc(Cl)c(Cl)c1
CCN(CC)CCN(C)CCc1ccc(Cl)c(Cl)c1
CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1
CN(CCN1CCCC1)CCc1ccccc1
Clc1ccc(CCN(CCN2CCCC2)CC=C)cc1Cl
CN(C)CCNCCc1ccc(Cl)c(Cl)c1
CN(CCN1CCCC1)CCc1cccc(Cl)c1
CCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
CN(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1
CCCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
CN(CCN1CCCC1)CCc1ccc(Cl)cc1
CN(CCCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
CN(CCN1CCCCCC1)CCc1ccc(Cl)c(Cl)c1
CC(CN(C)CCc1ccc(Cl)c(Cl)c1)N(C)C
C[C@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1
Clc1ccc(CCNCCN2CCCC2)cc1Cl
CN(CCN1CCCC1)CCc1ccc2ccccc2c1
NCCNCCc1ccc(Cl)c(Cl)c1
CN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
CNCCN(C)CCc1ccc(Cl)c(Cl)c1
COc1cccc(c1)-c1cc(=O)c2cc(OCCCCCN3CCC(O)CC3)ccc2o1
OC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1
O=c1cc(oc2ccc(OCCCCCCN3CCNCC3c3ccccn3)cc12)-c1ccccc1
CCN(CC)CCCCCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
OC1CCN(CCCCCCOc2cccc3c2oc(cc3=O)-c2ccccc2)CC1
COc1ccc(cc1)-c1cc(=O)c2cc(OCCCCCCN3CCC(O)CC3)ccc2o1
OC1CCN(CCCCCCCOc2cccc3oc(cc(=O)c23)-c2ccccc2)CC1
O=c1cc(oc2ccc(OCCCCCCN3CCCC3)cc12)-c1ccccc1
O=c1cc(oc2ccc(OCCCCCCN3CCOCC3)cc12)-c1ccccc1
OC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2cccc(F)c2)CC1
OC1CCN(CCCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1
OC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)C2CCC2)CC1
CN(CCCCCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1)Cc1ccccc1
O=c1cc(oc2ccc(OCCCCCCN3CCCCC3)cc12)-c1cccnc1
OC1CCN(CCCCCCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)CC1
CCOC(=O)C1CCCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)C1
OC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)C2CCCC2)CC1
CN(CCO)CCCCCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
Cc1c(oc2ccc(OCCCCCCN3CCC(O)CC3)cc2c1=O)C1CCCCC1
OC1CCN(CCCCCOc2ccc3oc(cc(=O)c3c2)C2CCCCC2)CC1
CC(C)Cc1cc(=O)c2cc(OCCCCCN3CCC(O)CC3)ccc2o1
OC1CCCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)C1
OC1CCN(CCCCCOc2cccc3oc(cc(=O)c23)-c2ccccc2)CC1
CN(C)CCCCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
CN(C)CCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
OC1CCN(CCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1
O=c1cc(oc2ccc(OCCCCCCN3CCCCCC3)cc12)-c1ccccc1
O=c1cc(oc2ccc(OCCCCCCN3CCCCC3)cc12)C1CCCCC1
OC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccc(F)cc2)CC1
CN(C)CCCCCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
O=c1cc(oc2ccc(OCCCCCCN3CCCCC3)cc12)-c1cccs1
CC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1
OC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccncc2)CC1
OC1CCN(CCCCOc2cccc3oc(cc(=O)c23)-c2ccccc2)CC1
CN(C)CCCCCCCCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
OCCC1CC(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CCN1
Clc1ccc(cc1)C1=CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1 |t:8|
Clc1ccc(cc1)N1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1
CCOC(=O)C1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1
OC1(CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1)c1ccc(Cl)cc1
Clc1ccccc1-c1cc(=O)c2cc(OCCCCCCN3CCCCC3)ccc2o1
COc1ccc(cc1)-c1cc(=O)c2cc(OCCCCCN3CCC(O)CC3)ccc2o1
O=c1cc(oc2ccc(OCCCCCCN3CCCCC3)cc12)-c1ccncc1
OC1CCN(CCCOc2cccc3oc(cc(=O)c23)-c2ccccc2)CC1
COc1cccc(c1)-c1cc(=O)c2cc(OCCCCCCN3CCC(O)CC3)ccc2o1
O=c1cc(oc2ccc(OCCCCCCN3CCCCC3)cc12)C1CCCC1
Cc1c(oc2ccc(OCCC\C=C\CN3CCC(O)CC3)cc2c1=O)-c1ccccc1
COc1c(oc2ccc(OCCCCCCN3CCC(O)CC3)cc2c1=O)-c1ccccc1
O=c1[nH]c2ccccc2n1C1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1
NCCCCCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
CN(C)CCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
OC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2cccs2)CC1
OC1CCN(CCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1
OC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccc(Cl)cc2)CC1
O=C1NCN(c2ccccc2)C11CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1
O=c1cc(oc2ccc(OCCCCCCN3CCCCC3)cc12)C1CCC1
Cc1c(oc2ccc(OCCCCCCN3CCC(O)CC3)cc2c1=O)-c1ccccc1
CN(C)CCCCCCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
OC1CCN(CCCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)CC1
OC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2Cl)CC1
CN(C)CCOc1ccc2c(c1)oc(cc2=O)-c1ccccc1
OCCC1CN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CCN1
CN(C)CCCCCCCCCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
OC1CCN(CCCCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)CC1
OC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2cccc(Cl)c2)CC1
OC1CCN(CCCCCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)CC1
OC1CCN(CCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1
CN(C)CCCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
O=c1cc(oc2ccc(OCCCCCCN3CCOCC3)cc12)C1CCCCC1
OC1CCN(CCCCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CC1
OC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)C2CCCCC2)CC1
OC1CCN(CCCCCCCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)CC1
O=c1cc(oc2ccc(OCCCCCCN3CCNCC3c3ncccn3)cc12)-c1ccccc1
OC1CCN(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2cccnc2)CC1
CN(C)CCCCCCCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
O=c1cc(oc2ccc(OCCCCCCN3CCCCC3)cc12)-c1ccccc1
OC1CCN(CCCCCCOc2cccc3oc(cc(=O)c23)-c2ccccc2)CC1
O=C1CC2(CCC(CC2)OCc2ccccc2)OC=C1c1ccccc1 |c:20,(-6.71,4.39,;-5.63,3.29,;-4.16,3.67,;-3.07,2.57,;-1.9,2.99,;-.18,2.37,;.58,3.71,;-.69,3.29,;-2.32,3.92,;2.05,3.32,;3.14,4.41,;4.63,4.02,;5.7,5.09,;7.17,4.71,;7.59,3.22,;6.5,2.13,;5.01,2.53,;-3.48,1.11,;-4.97,.71,;-6.04,1.81,;-7.53,1.42,;-8.6,2.51,;-10.09,2.13,;-10.48,.64,;-9.4,-.45,;-7.92,-.05,)|
OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
O=C1NC(C(=O)N1CCCCN1CCC(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
O=C1NC(C(=O)N1CCN1CCN(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
O=C1NC(C(=O)N1CCCCCCN1CCN(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
O=C1NC(C(=O)N1CCCCCCN1CCC(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
O=C1NC(C(=O)N1CCN1CCC(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
CN(CCc1ccc(Cl)c(Cl)c1)CC1CCCCN1C
Clc1ccc(CCN2CCCC(C2)N2CCCC2)cc1Cl
CCN1CCCC1CNCCc1ccc(Cl)c(Cl)c1
CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1
CCN1CCCC1CN(C)CCc1ccc(Cl)c(Cl)c1
CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1N1CCCC1
CN(CCc1ccc(Cl)c(Cl)c1)C1CCCN(C)C1
Clc1ccc(CCN2CCC[C@H]2CN2CCCC2)cc1Cl
CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1
Clc1cc2CCN(CCN3CCCC3)Cc2cc1Cl
Clc1ccc(CCN2CCCCC(C2)N2CCCC2)cc1Cl
Clc1ccc(CCN2CCC[C@@H]2CN2CCCC2)cc1Cl
C1[C@@H]2CC[C@@]([C@H]12)(N1CCCCC1)c1ccccc1
C1[C@H]2CC[C@@]([C@@H]12)(N1CCCCC1)c1ccccc1
C1[C@H]2C[C@](C[C@@H]12)(N1CCCCC1)c1ccccc1
C1[C@@H]2CC[C@]([C@H]12)(N1CCCCC1)c1ccccc1
C1[C@H]2C[C@@](C[C@@H]12)(N1CCCCC1)c1ccccc1
CCC[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCN)n(Cc2ccccc2)c1=O
COc1ccc(N=C(N)NC23CC4CC(CC(C4)C2)C3)c(C)c1 |w:6.5,TLB:17:16:19:12.11.13,17:12:19:16.18.15,13:14:18:12.11.17,THB:13:12:18:14.19.15|
NC(Nc1cccc(F)c1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
COc1ccccc1N=C(N)NC12CC3CC(CC(C3)C1)C2 |w:8.8,TLB:15:16:20:14.13.19,THB:15:14:20:16.21.17,17:18:13:16.21.15,17:16:13:18.20.19|
Cc1cc(F)ccc1N=C(N)NC12CC3CC(CC(C3)C1)C2 |w:8.8,TLB:19:18:21:14.13.15,19:14:21:18.20.17,15:16:20:14.13.19,THB:15:14:20:16.21.17|
NC(Nc1cccc(I)c1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
COc1cccc(NC(N)=NC23CC4CC(CC(C4)C2)C3)c1 |w:10.10,TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
NC(Nc1ccc(F)cc1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:18:17:20:13.12.14,18:13:20:17.19.16,THB:16:17:12:15.20.14,16:15:12:17.19.18|
NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1I |w:13.16,TLB:6:7:11:5.4.10,THB:6:5:11:7.12.8,8:9:4:7.12.6,8:7:4:9.11.10|
NC(Nc1ccc(I)cc1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:18:17:20:13.12.14,18:13:20:17.19.16,THB:16:17:12:15.20.14,16:15:12:17.19.18|
NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1F |w:13.16,TLB:6:7:11:5.4.10,THB:6:5:11:7.12.8,8:9:4:7.12.6,8:7:4:9.11.10|
COc1ccc(NC(N)=NC23CC4CC(CC(C4)C2)C3)cc1 |w:9.9,TLB:17:16:19:12.11.13,17:12:19:16.18.15,THB:15:16:11:14.19.13,15:14:11:16.18.17|
Clc1ccc(CCN[C@H]2CCCC[C@H]2N2CCCC2)cc1Cl
CCN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1
CCN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
CN(Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
Clc1ccc(CCN[C@@H]2CCCC[C@@H]2N2CCCC2)cc1Cl
CCCN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
Clc1ccc(CCN(CC2CC2)[C@@H]2CCCC[C@@H]2N2CCCC2)cc1Cl
Clc1ccc(CC(=O)N[C@H]2CCCC[C@H]2N2CCCC2)cc1Cl
Clc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2N2CCCC2)cc1Cl
Clc1ccc(CCN(CC2CC2)[C@H]2CCCC[C@H]2N2CCCC2)cc1Cl
CCCN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1
O=C(N1CCNCC1)c1ccccc1
C(CN1CCN(CC1)c1ccccc1)Cc1ccccc1
Clc1ccc(cc1)C1=CCN(CCCCc2ccccc2)CC1 |t:8|
COc1ccccc1C1(O)CCNCC1
Clc1cccc(c1)N1CCNCC1
c1ccc(cc1)N2CCNCC2
FC(F)(F)c1cccc(c1)N1CCN(CCCCc2ccccc2)CC1
C(CCc1ccccc1)CN1CCC(CC1)c1ccccc1
C(N1CCNCC1)c1ccccc1
C(CCN1CCC(CC1)c1ccccc1)CCc1ccccc1
C(CCc1ccccc1)CN1CCN(CC1)c1ccccc1
CCCN1CCN(CC1)c1ccccc1
C1CN(CCN1)c1ncccn1
C(CN1CCN(CC1)c1ccccc1)Cc1ccc2ccccc2c1
OC1(CCN(CCCc2ccccc2)CC1)c1ccccc1
Clc1cccc(c1)N1CCN(CCc2ccccc2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCc2ccccc2)CC1
Clc1ccc(cc1)N1CCNCC1
C(CN1CCC(CC1)c1ccccc1)Cc1ccccc1
FC(F)(F)c1cccc(c1)N1CCNCC1
C1CN(CCN1)c1cccc2ccccc12
COc1ccc(cc1)N1CCNCC1
C(CN1CCN(CC1)c1ccc2ccccc2c1)Cc1ccccc1
COc1ccccc1N1CCNCC1
C1CC(CCN1)c1ccccc1
Clc1ccc(cc1)N1CCN(CCCc2ccccc2)CC1
C1CN(CCN1)c1ccc2ccccc2c1
Clc1cccc(c1)N1CCN(CCCc2ccccc2)CC1
O=C(N1CCN(CCCCc2ccccc2)CC1)c1ccccc1
CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17|
CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21 |c:7|
Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O
Cn1c2ccc(CCCCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
CN(CCc1ccc2OCOc2c1)C1CCCC[C@H]1N1CCCC1
CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)Cc3ccc(c(c3)Cl)Cl
CN([C@@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
CN([C@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
COc1ccc2C=C[C@H]3CCCC[C@@]3(CCN(C)CC(=O)OC(C)(C)C)c2c1 |c:6|
Oc1cccc(c1)[C@@H]1CCCNC1
CCCN1CCC[C@@H]2[C@@H]1CCc1c(O)cccc21 |r|
CCCCN1CCCC2C1CCc1ccc(O)cc21
[H][C@]12CCc3c(O)cccc3[C@@]1([H])CCCN2CCC |r|
[H][C@@]12CCc3c(O)cccc3[C@@]1([H])CCCN2 |r|
CCCN1CCCC2C1CCc1ccc(O)cc21
[H][C@@]12CCc3c(O)cccc3[C@]1([H])CCCN2CCC
CCCN1CCCC2C1CCc1cc(O)ccc21
Oc1ccc2CCC3NCCCC3c2c1
[H][C@]12CCc3c(O)cccc3[C@]1([H])CCCN2
CCC[n+]1cccc2C3CCCC(O)C3CCc12
[H][C@]12CN(CCC)CC[C@@]1(CC)c1cc(OC)ccc1O2
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2OCOc2c1
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cc(Cl)c(Cl)cc1N
Cc1ccccc1N=C(N)Nc1cccc(O)c1 |w:7.7|
Cc1ccccc1N=C(N)Nc1ccccc1N |w:7.7|
CNC(=N)NC
NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1I |w:13.16,TLB:6:7:11:5.4.10,10:9:12:5.4.6,10:5:12:9.11.8,THB:6:5:11:7.12.8|
NC(NC1CCCCC1)=NC12CC3CC(CC(C3)C1)C2 |w:9.10,TLB:13:14:18:12.11.17,17:16:19:12.11.13,17:12:19:16.18.15,THB:13:12:18:14.19.15|
Cc1ccccc1NC(N)=Nc1ccc(N)cc1C |w:10.11|
Cc1cc(N)ccc1NC(N)=Nc1ccc(N)cc1C |w:11.12|
NC(Nc1ccccc1)=Nc1ccccc1 |w:9.10|
Cc1cc(ccc1N\C([NH-])=[NH+]/c1ccc(cc1C)[N+]([O-])=O)[N+]([O-])=O
CCCCNC(=N)NCCCC
Cc1cccc(C)c1NC(N)=Nc1c(C)cccc1C |w:11.12|
Cc1ccccc1NC(N)=Nc1c(C)cccc1C |w:10.11|
COc1ccccc1NC(N)=Nc1ccccc1OC |w:11.12|
Cc1cc(ccc1[N-]C(N)=[NH+]c1cccc(O)c1)[N+]([O-])=O
Cc1cc(Br)ccc1NC(N)=Nc1ccc(Br)cc1C |w:11.12|
N\C([N-]C12CC3CC(CC(C3)C1)C2)=[NH+]/c1ccccc1[N+]([O-])=O |TLB:10:5:12:9.11.8,10:9:12:5.4.6,6:7:11:5.4.10,THB:6:5:11:7.12.8|
NC(Nc1ccccc1I)=Nc1ccccc1I |w:10.11|
NC(Nc1ccccc1C(F)(F)F)=Nc1ccccc1C(F)(F)F |w:13.14|
Cc1ccccc1N=C(N)NC1CCCCC1 |w:7.7|
Cc1cccc(NC(N)=Nc2cccc(C)c2)c1 |w:9.9|
CCc1ccccc1NC(N)=Nc1ccccc1CC |w:11.12|
NC(Nc1ccc(Br)cc1)=Nc1ccc(Br)cc1 |w:10.11|
ONC(NC1CCCCC1)=NC1CCCCC1 |w:10.11|
NC(Nc1ccccc1I)=NC1CC2CCC1C2 |w:10.11,TEB:10:11:17:15.14|
Cc1ccccc1N=C(N)NC12CC3CC(CC(C3)C1)C2 |w:7.7,TLB:14:15:19:13.12.18,18:17:20:13.12.14,18:13:20:17.19.16,THB:14:13:19:15.20.16|
NC(NC12CC3CC(CC(C3)C1)C2)=NC12CC3CC(CC(C3)C1)C2 |w:13.16,TLB:6:7:11:5.4.10,17:18:22:16.15.21,21:16:23:20.22.19,21:20:23:16.15.17,THB:6:5:11:7.12.8,17:16:22:18.23.19,8:9:4:7.12.6,8:7:4:9.11.10|
[#6]-1-[#6]-[#6]-1\[#7]=[#6](/[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
NC(NC1CCCCC1)=NC1CCCCC1 |w:9.10|
C[C@@H](Cc1ccccc1)N(C)CCc1ccccc1
C[C@H](Cc1ccccc1)NCCCc1ccccc1
FCCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
CN(CCN1CCCC1)CCc1cc(Cl)c(Cl)cc1I
Clc1ccc(CCN2CCN(CCCI)CC2)cc1Cl
[H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1CCCCCF)[C@H]2C |r,THB:8:9:21:14.12.13,15:14:21:9.3.2|
FCCCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
CN1CCC[C@@H](C1)c1cccc(O)c1
CCc1ccc(cc1)N1CCC[C@H](C1)c1cccc(O)c1
CCCCN1CCC[C@H](C1)c1cccc(O)c1
CCc1ccc(cc1)N1CCC[C@@H](C1)c1cccc(O)c1
CC(C)N1CCC[C@@H](C1)c1cccc(O)c1
CCCCN1CCC[C@@H](C1)c1cccc(O)c1
CCN1CCC[C@@H](C1)c1cccc(O)c1
Oc1cccc(c1)[C@H]1CCCNC1
CN1CCC[C@H](C1)c1cccc(O)c1
CCN1CCC[C@H](C1)c1cccc(O)c1
CC(C)N1CCC[C@H](C1)c1cccc(O)c1
[O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
CN1CCC2(CC1CC(=O)C2)c1cccc(O)c1
CN1CC[C@@]2(C[C@H]1C(=Cc1ccccc1)C(=O)C2)c1cccc(O)c1 |r,w:8.9|
CC1C2Cc3ccc(O)cc3C1CCN2CC=C |TLB:0:1:10.4.3:14.12.13,15:14:1:10.4.3,THB:9:10:1:14.12.13|
CN(C)C1CC(c2ccccc2)c2cc(O)c(O)cc2C1
CN(C)C1CCc2ccccc2C(C1)c1ccccc1
CN(C)C1CC(c2ccccc2)c2cc(O)c(Cl)cc2C1
CN(C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@H]1CCc2ccccc2[C@H]1c1ccccc1
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
[#6]-[#6@@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:1:10.4.3|
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2c3cccc2C(F)(F)F)c2ccccc12
CCCN1CCC2(CC1)OCc1ccccc21
CC(C)N1CCC2(CC1)OCc1ccccc21
CN1CCC2(CC1)OCc1ccccc21
Cc1ccc2c(COC22CCN(CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)CC2)c1
CC(C)c1ccc2COC3(CCN(CCCCc4cn(-c5ccc(F)cc5)c5ccccc45)CC3)c2c1
Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
c1ccc2c(c1)COC23CCNCC3
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccc(cc32)C(F)(F)F)c2ccccc12
C(COC1CCCCC1)CN1CCC2(CC1)OCc1ccccc21
C(N1CCC2(CCCc3ccccc23)CC1)c1ccccc1
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccc(F)cc32)c2ccccc12
C(CCN1CCC2(CC1)OCc1ccccc21)CC1CCCCC1
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
CCCCN1CCC2(CC1)OCc1ccccc21
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(Cc4ccccc4O3)CC2)c2ccccc12
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)Cc2ccccc2CO3)c2ccccc12
C(CSC1CCCCC1)CN1CCC2(CC1)OCc1ccccc21
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(COc4ccccc34)CC2)c2ccccc12
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCCc2ccccc32)c2ccccc12
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)COc2ccccc2C3)c2ccccc12
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2c3cccc2F)c2ccccc12
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)COCc2ccccc32)c2ccccc12
C(CCc1ccccc1)CN1CCC2(CC1)OCc1ccccc21
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2cccc(F)c32)c2ccccc12
C(CN1CCC2(CC1)OCc1ccccc21)Cc1ccccc1
CS(=O)(=O)CCCN1CCC2(CC1)OCc1ccccc21
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)CCc2ccccc2O3)c2ccccc12
CCN1CCC2(CC1)OCc1ccccc21
C(CCN1CCC2(CC1)OCc1ccccc21)CCc1ccccc1
C(CCCc1ccccc1)CCN1CCC2(CC1)OCc1ccccc21
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)SCc2ccccc32)c2ccccc12
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)Oc2ccccc2O3)c2ccccc12
C(Cc1ccccc1)N1CCC2(CC1)OCc1ccccc21
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CCOc4ccccc34)CC2)c2ccccc12
CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
[#6]-[#6]1-[#6]-2-[#6]-c3ccc(F)cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccccc3C1(C)CCN2Cc1ccccc1 |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
CC1C2Cc3ccc(Cl)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
[#6]-[#6]1-[#6]-2-[#6]-c3ccccc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
CC1C2Cc3ccc(F)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
[#6]-[#6]1-[#6]-2-[#6]-c3cc(Br)c(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:10:11:1:16.14.15,17:16:1:11.4.3|
[#6]-[#6]1-[#6]-2-[#6]-c3cc(I)c(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:10:11:1:16.14.15,17:16:1:11.4.3|
CN1CCC2(CC1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CN1CCC2(CC1C(=Cc1ccccc1)C(=O)C2)c1cccc(O)c1 |w:8.9|
COc1cccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)c1 |w:7.6|
COc1ccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)cc1 |w:6.5|
CN1CCC2(CC1C(=Cc1cccc(Cl)c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
COc1cccc(c1)C12CCN(C)C(C1)C(=Cc1ccccc1)C(=O)C2 |w:16.18|
CN1CCC2(CC1C(=Cc1ccc(Cl)cc1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CN1CCC2(CC1C(=Cc1ccc(I)cc1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CN1CCC2(CC1C(=Cc1ccc3ccccc3c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CN1CCC2(CC1C(=CC1CC1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CN1CCC2(CC1C(=Cc1cccc(I)c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
O=c1ccoc2ccc(OCCCCCN3CCOCC3)cc12
O=c1ccoc2ccc(OCCCN3CCCCCC3)cc12
CC1C2Cc3cc(Br)c(O)c(Br)c3C1(C)CCN2Cc1ccccc1 |TLB:10:12:1:17.15.16,18:17:1:12.4.3|
CC1C2Cc3cc(Br)c(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:10:11:1:16.14.15,17:16:1:11.4.3|
CC1C2Cc3cc(Cl)c(O)c(Cl)c3C1(C)CCN2Cc1ccccc1 |TLB:10:12:1:17.15.16,18:17:1:12.4.3|
CC1C2Cc3ccc(O)c(Cl)c3C1(C)CCN2Cc1ccccc1 |TLB:9:11:1:16.14.15,17:16:1:11.4.3|
[#6]-[#6]1-[#6]-2-[#6]-c3ccc(-[#8])c(Cl)c3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:9:11:1:16.14.15,17:16:1:11.4.3|
[#6]-[#6]1-[#6]-2-[#6]-c3ccc(-[#8])c(Br)c3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:9:11:1:16.14.15,17:16:1:11.4.3|
CC1C2Cc3cc(I)c(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:10:11:1:16.14.15,17:16:1:11.4.3|
CC1C2Cc3ccc(O)c(Br)c3C1(C)CCN2Cc1ccccc1 |TLB:9:11:1:16.14.15,17:16:1:11.4.3|
[#6]-[#6]1-[#6]-2-[#6]-c3cc(Br)c(-[#8])c(Br)c3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:10:12:1:17.15.16,18:17:1:12.4.3|
Clc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
COc1ccc2CCC=C(CCCCN3CCN(CC3)c3ccccc3OC)c2c1 |t:8|
COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)=CCCc12 |c:26|
COc1ccc2CCC=C(CCCN3CCN(CC3)c3ccccc3OC)c2c1 |t:8|
COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1
COc1ccc2CCCC(SCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)=CCCc12 |c:24|
COc1ccccc1N1CCN(CC\C=C2/CCCc3ccccc23)CC1
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
COc1cccc2C(CCCc12)NCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCC2CCCc3ccsc23)CC1
COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccc1OC
COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)=CCCc12 |c:24|
COc1ccc2CCCC(CCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1ccc2CCC=C(CCCN3CCN(CC3)c3ccccn3)c2c1 |t:8|
COc1ccc2CCC=C(CCCN3CCN(CC3)c3ccccc3)c2c1 |t:8|
COc1ccc2CCCC(CCCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1ccc2CCCC(CCCN3CCN(CC3)c3ccccn3)c2c1
COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12
COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12
COc1ccc2CCCC(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c2c1
Ic1ccc(cc1)S(=O)(=O)NCCN1CCCC1
COc1cccc2C(CCCN3CCCC(C)(C)C3)CCCc12
CCCSc1nsnc1C1=CCN(C)CC1 |t:10|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(I)c(c1)[N+]([O-])=O |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1C |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1I |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(I)cc1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(F)cc1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(Cl)cc1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(cc1)C(C)(C)C |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1cccc(I)c1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(cc1)[N+]([O-])=O |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1F |TLB:16:15:1:10.4.3|
COc1ccc(CN2CC[C@@]3(C)[C@H](C)[C@@H]2Cc2ccc(O)cc32)cc1 |TLB:6:7:12:22.16.15|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(N)cc1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(cc1)N(C)C |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(NC(C)=O)cc1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(cc1)C#N |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(Br)cc1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(cc1)C(F)(F)F |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(C)cc1 |TLB:16:15:1:10.4.3|
Fc1ccccc1C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1 |c:15|
c1cc(ccc1C2=CCNCC2)Cl
Fc1ccc(cc1)C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1 |c:15|
C1CC(=CCN1)c1ccccc1 |c:2|
Fc1ccc(cc1)C(=O)CCN1CCC(=CC1)c1ccc(F)cc1 |c:15|
Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccc(Cl)c(Cl)c2)CC1 |t:8|
Fc1ccc(cc1)C1=CCN(CCC(=O)c2ccccc2)CC1 |t:8|
Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccc(Br)cc2)CC1 |t:8|
CCN(CC)CCC(=O)c1ccccc1
Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccccc2Cl)CC1 |t:8|
CCCN(CCC)CCC(=O)c1ccccc1
COc1ccc(cc1OC)C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1 |c:18|
Fc1ccc(cc1)C1=CCN(CCC(=O)c2ccc(Cl)cc2)CC1 |t:8|
Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccc3OCOc3c2)CC1 |t:8|
CN(C)CCC(=O)c1ccccc1
O=C(CCN1CCC(CC1)c1ccccc1)c1ccccc1
Fc1ccc(cc1)C1=CCN(CCC(=O)c2ccc(Br)cc2)CC1 |t:8|
Fc1ccc(cc1F)C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1 |c:16|
O=C(CCN1CCC(=CC1)c1ccccc1)c1ccccc1 |c:7|
O=C(CC1CCN(CC2CC2)CC1)c1ccc(cc1)C#N
Clc1ccc(cc1)C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1 |c:15|
Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccccc2)CC1 |t:8|
O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
O[C@@H](CCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
O[C@H](CCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
FCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
O[C@@H]1CC[C@@H]2CN(CC3CC3)CC[C@]22[C@H]1Oc1c2cccc1O
Oc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@]213
Oc1cccc2c1O[C@H]1C(=O)CC[C@@H]3CN(CC4CC4)CC[C@]213
COc1cccc2c1O[C@H]1[C@@H](O)CC[C@H]3CN(CC4CC4)CC[C@]213
O[C@H]1CC[C@H]2CN(CC3CC3)CC[C@]22[C@H]1Oc1c2cccc1O
Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8
CN1CC[C@@]23[C@@H](Oc4c2cccc4O)C(=O)CC[C@H]3C1
COc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@]213
COc1cccc(c1)C12CCN(C)C(CC(=O)C1)C2
C[N+]1(C)CCC2(CC1C(=Cc1ccccc1)C(=O)C2)c1cccc(O)c1 |w:9.10|
O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17|
C1CCN(CC1)C1(CCCCC1)c1cccs1
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4
CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
CCCN(C\C=C\I)C1COc2c(O)cccc2C1
Oc1ccc2CCC(Cc2c1)NC\C=C\I
CCCN(C\C=C\I)C1CCc2cc(O)ccc2C1
CCCN(C\C=C\I)C1CCc2c(O)cccc2C1
CCCN(CCC)C1CCc2ccc(O)cc2C1
CCCN(C\C=C\I)C1COc2ccc(O)cc2C1
CCCN(C\C=C\I)C1CCc2ccc(O)cc2C1
c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I
Ic1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1
Ic1cccc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1
CN(C)[C@]1(C)C[C@@H](c2ccccc2)c2ccccc2C1
NC1CC(c2ccccc2)c2ccccc2C1
CNC1CC(c2ccccc2)c2cc(O)c(Cl)cc2C1
C=CCNC1CC(c2ccccc2)c2ccccc2C1
CN(C)[C@@]1(C)C[C@H](c2ccccc2)c2ccccc2C1 |r|
CN(CC=C)C1CC(c2ccccc2)c2ccccc2C1
C=CCN(CC=C)C1CC(c2ccccc2)c2ccccc2C1
CCCN1CCCC(C1)c1cccc(c1)C#N
C(CCc1ccccc1)CN1C2CCC1c1c(C2)n(Cc2ccccc2)c2ccccc12 |THB:9:10:15.16.17:13.12|
OCCCN1C2CCC1c1c(C2)[nH]c2ccc(F)cc12 |THB:3:4:9.10.11:7.6|
C(CCc1ccco1)CN1C2CCC1c1c(C2)[nH]c2ccccc12 |THB:8:9:14.15.16:12.11|
Fc1ccc2[nH]c3CC4CCC(N4CCCCc4ccccc4)c3c2c1 |TLB:24:23:12:10.9,5:6:12:10.9,13:12:23.6.7:10.9|
O=C1CC2(CCCC2)CC(=O)N1CCCCN1C2CCC1c1c(C2)[nH]c2ccccc12 |TLB:15:16:21.22.23:19.18,THB:24:22:16:19.18,30:21:16:19.18|
Fc1ccc2[nH]c3CC4CCC(N4CCCc4cccnc4)c3c2c1 |THB:13:12:22.6.7:10.9|
Fc1ccc(cc1)C(=O)CCCN1C2CCC1c1c(C2)[nH]c2ccccc12 |TLB:11:12:17.18.19:15.14,THB:20:18:12:15.14,26:17:12:15.14|
CN(CCN1C2CCC1c1c(C2)[nH]c2ccccc12)CCc1ccc(Cl)c(Cl)c1 |THB:3:4:9.10.11:7.6|
C(COc1ccccc1)CN1C2CCC1c1c(C2)[nH]c2ccccc12 |THB:9:10:15.16.17:13.12|
Fc1ccc2[nH]c3CC4CCC(N4CCCN4Cc5ccccc5C4)c3c2c1 |THB:13:12:25.6.7:10.9|
C(CCN1C2CCC1c1c(C2)[nH]c2ccccc12)COc1ccccc1 |THB:2:3:8.9.10:6.5|
Fc1ccc2[nH]c3CC4CCC(N4CCCN4C(=O)c5ccccc5C4=O)c3c2c1 |THB:13:12:27.6.7:10.9|
Fc1ccc(OCCCN2C3CCC2c2c(C3)[nH]c3ccccc23)cc1 |THB:8:9:14.15.16:12.11|
C(CN1C2CCC1c1c(C2)[nH]c2ccccc12)N1Cc2ccccc2C1 |THB:1:2:7.8.9:5.4|
Fc1ccc2[nH]c3CC4CCC(N4Cc4ccccc4I)c3c2c1 |THB:13:12:21.6.7:10.9|
C(CCc1ccccc1)CN1C2CCC1c1c(C2)n(-c2ccccc2)c2ccccc12 |THB:9:10:15.16.17:13.12|
Cn1c2CC3CCC(N3CCCCc3ccccc3)c2c2ccccc12 |THB:9:8:19.2.3:6.5|
CC(C)n1c2CC3CCC(N3CCCCc3ccccc3)c2c2ccccc12 |THB:11:10:21.4.5:8.7|
Fc1ccc2[nH]c3CCN(CCCc4ccncc4)Cc3c2c1
C(CCc1nccs1)CN1C2CCC1c1c(C2)[nH]c2ccccc12 |THB:8:9:14.15.16:12.11|
C(CCc1cccs1)CN1C2CCC1c1c(C2)[nH]c2ccccc12 |THB:8:9:14.15.16:12.11|
C(\C=C\c1ccccc1)N1C2CCC1c1c(C2)[nH]c2ccccc12 |THB:0:9:14.15.16:12.11|
O=C1N(CCN2C3CCC2c2c(C3)[nH]c3ccccc23)C(=O)c2ccccc12 |THB:4:5:10.11.12:8.7|
C(CN1C2CCC1c1c(C2)[nH]c2ccccc12)Oc1ccccc1 |THB:1:2:7.8.9:5.4|
C1CC2NC1Cc1c2c2ccccc2n1-c1ccccc1
C1CC2NC1Cc1[nH]c3ccccc3c21 |TLB:7:6:3:1.0,13:14:3:1.0|
C(CN1C2CCC1c1c(C2)[nH]c2ccccc12)C(c1ccccc1)c1ccccc1 |THB:1:2:7.8.9:5.4|
CN1C2CCC1c1c(C2)[nH]c2ccccc12 |TLB:0:1:6.7.8:4.3|
Fc1ccc2[nH]c3CC4CCC(N4Cc4ccccc4)c3c2c1 |THB:13:12:20.6.7:10.9|
C(Cc1ccccc1)N1C2CCC1c1c(C2)[nH]c2ccccc12 |THB:0:8:13.14.15:11.10|
Clc1ccc(OCCN2C3CCC2c2c(C3)[nH]c3ccccc23)cc1Cl |THB:7:8:13.14.15:11.10|
Clc1ccc(OCCN2C3CCC2c2c(C3)[nH]c3ccccc23)cc1 |THB:7:8:13.14.15:11.10|
C(CCN1C2CCC1c1c(C2)[nH]c2ccccc12)CCc1ccccc1 |THB:2:3:8.9.10:6.5|
Fc1ccc2[nH]c3CC4CCC(N4)c3c2c1
CN(CCN1C2CCC1c1c(C2)[nH]c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1 |THB:3:4:9.10.11:7.6|
C(CN1C2CCC1c1c(C2)[nH]c2ccccc12)Cc1ccccc1 |THB:1:2:7.8.9:5.4|
CCN1C2CCC1c1c(C2)[nH]c2ccccc12 |TLB:1:2:7.8.9:5.4|
Clc1ccc(CCN2C3CCC2c2c(C3)[nH]c3ccccc23)cc1Cl |THB:6:7:12.13.14:10.9|
C(N1C2CCC1c1c(C2)[nH]c2ccccc12)c1ccccc1 |THB:0:1:6.7.8:4.3|
Fc1ccc(CCCCN2C3CCC2c2c(C3)[nH]c3ccccc23)cc1 |TLB:8:9:14.15.16:12.11,THB:17:15:9:12.11,23:14:9:12.11|
C(CCc1ccccc1)CN1C2CCC1c1c(C2)[nH]c2ccccc12 |TLB:9:10:15.16.17:13.12,THB:18:16:10:13.12,24:15:10:13.12|
CCCN1C2CCC1c1c(C2)[nH]c2ccccc12 |TLB:2:3:8.9.10:6.5|
CC\C=C\N1C2CCC1c1c(C2)[nH]c2ccccc12 |THB:3:4:9.10.11:7.6|
C(Cc1ccccc1)N1C2CCC1c1c(C2)n(Cc2ccccc2)c2ccccc12 |THB:0:8:13.14.15:11.10|
Cc1ccc(NC(N)=Nc2ccc(C)cc2)cc1 |w:8.8|
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1CCCc1ccccc1 |r|
C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r|
C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 |r|
C[C@H]1CN(CCCn2c3ccccc3c3cc(ccc23)[N+]([O-])=O)C[C@H](C)N1 |r|
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1C |r|
C[C@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc23)C[C@H](C)N1 |r|
C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc23)C[C@H](C)N1 |r|
C[C@H](Cc1ccccc1)NCCCCCc1ccccc1
C[C@H](Cc1ccccc1)NCCCc1ccc2ccccc2c1
CCCCCNCCc1ccccc1
CC(Cc1cccc2ccccc12)NCCCc1ccccc1
CCOc1ccc(CC(C)NCCCc2ccccc2)cc1
CCCC(Cc1ccccc1)NCCCCc1ccccc1
C(CNCCCc1ccccc1)Cc1ccccc1
C(CCNCc1ccccc1)CCc1ccccc1
C[C@H](Cc1ccccc1)N(CCCc1ccccc1)Cc1ccccc1
C[C@@H](Cc1ccccc1)NCCc1ccccc1
CN(CCCCCc1ccccc1)CCc1ccccc1
C(CCNCCCCc1ccccc1)CCc1ccccc1
C(CCc1ccccc1)CNCCc1ccccc1
CNCCCCCc1ccccc1
C(CCc1ccccc1)CNCc1ccccc1
C[C@H](Cc1ccccc1)NCCCCc1ccccc1
C(CCN1CCCCC1)CCc1ccccc1
C(CNCCc1ccccc1)Cc1ccccc1
C(CCCNCc1ccccc1)CCCc1ccccc1
C[C@H](Cc1ccccc1)NCCc1ccccc1
CN(CCCc1ccc2ccccc2c1)CCCc1ccc2ccccc2c1
CN(CCCCCc1ccccc1)CCCc1ccccc1
C(CCNCCCc1ccccc1)CCc1ccccc1
C(CCNCCc1ccccc1)CCc1ccccc1
NCCCCCC1CCCCC1
CC(Cc1ccc(O)cc1)NCCCc1ccccc1
C[C@@H](Cc1ccc(I)cc1)NCCCc1ccccc1
CC(Cc1ccc(Br)cc1)NCCCc1ccccc1
C[C@@H](Cc1ccccc1)NCCCc1ccccc1
C(CCNCc1ccccc1)CCC1CCCCC1
C(CN1CCCC1)NCCc1ccccc1
C[C@H](Cc1ccccc1)N(C)CCc1ccccc1
C[C@@H](Cc1ccccc1)NCCCCCc1ccccc1
C(CCN1CCCC1)CCc1ccccc1
CNCCCCCC1CCCCC1
CC(Cc1ccc2ccccc2c1)NCCCc1ccccc1
CN(CCCCCc1ccccc1)Cc1ccccc1
C(CCCNCCc1ccccc1)CCCc1ccccc1
CCCC(Cc1ccccc1)[N+](C)(C)CCCc1ccccc1
C[C@@H](Cc1ccccc1)NCCCCc1ccccc1
C[C@H](Cc1ccccc1)NCCCc1cccc2ccccc12
CN(C)CCCCCc1ccccc1
C[C@H](Cc1ccccc1)N(C)CCCc1ccccc1
CN(C)CCCCCC1CCCCC1
CC(Cc1cccc(c1)C(F)(F)F)NCCCc1ccccc1
CC(Cc1cccc(Br)c1)NCCCc1ccccc1
C[C@@H](CC1CC=CC=C1)[N+](C)(C)CCCc1ccccc1 |c:5,7|
CCCN(C)CCCCCc1ccccc1
CCCN1CCC[C@@H](C1)c1cccc(OS(=O)(=O)C(F)(F)F)c1
CCCN1CCC[C@H](C1)c1cccc(OS(=O)(=O)C(F)(F)F)c1
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
CCc1cccc(c1)N=C(N)N1CCc2ccccc12 |w:8.8|
CCc1ccc(NC(N)=Nc2ccc(CC)cc2)cc1 |w:9.9|
NC(Nc1ccccc1I)=Nc1cccc2ccccc12 |w:10.11|
NC(NCc1ccccc1)=Nc1cccc2ccccc12 |w:10.11|
COc1cccc(NC(N)=Nc2cccc(OC)c2)c1 |w:10.10|
CC(C)c1ccc(NC(N)=Nc2ccc(cc2)C(C)C)cc1 |w:10.10|
NC(Nc1cccc2CCCCc12)=Nc1cccc2CCCCc12 |w:13.15|
NC(NC1Cc2ccccc2C1)=Nc1cccc2ccccc12 |w:12.14|
CCN(C(N)=Nc1cccc2ccccc12)c1cccc2ccccc12 |w:5.5|
NC(=Nc1cccc2ccccc12)N1CCCCC1 |w:2.2|
CN(\C([NH-])=[NH+]\c1cccc2ccccc12)c1cccc(c1)[N+]([O-])=O
CN(C(N)=Nc1cccc2ccccc12)c1cccc2ccccc12 |w:4.4|
CCc1cccc(c1)N(C)C(N)=Nc1cccc2ccccc12 |w:12.13|
CN(C(N)=Nc1cccc2cc3ccccc3cc12)c1cccc2ccccc12 |w:4.4|
CCc1cccc(c1)N=C(N)N(C)c1cccc2ccccc12 |w:8.8|
CC(C)c1ccccc1N=C(N)N(C)c1cccc2ccccc12 |w:9.9|
CCc1cccc(c1)N=C(N)N1CCC(CC1)c1ccccc1 |w:8.8|
CN(C(N)=Nc1cccc(C)c1)c1cccc(C)c1 |w:4.4|
Cc1cccc(NC(N)=Nc2cccc3ccccc23)c1 |w:9.9|
CN(C(N)=Nc1cccc2ccccc12)c1cccc(C)c1 |w:4.4|
NC(=Nc1cccc2ccccc12)N(c1ccccc1)c1cccc2ccccc12 |w:2.2|
CCc1cccc(NC(N)=Nc2cccc3ccccc23)c1 |w:10.10|
NC(Nc1ccc2ccccc2c1)=Nc1ccc2ccccc2c1 |w:13.15|
CN(C(N)=Nc1cccc(c1)N=[N+]=[N-])c1cccc2ccccc12 |w:4.4|
CCN(C(=N)N(C)c1cccc(CC)c1)c1cccc2ccccc12
NC(Nc1cccc2ccccc12)=Nc1cccc2ccccc12 |w:13.15|
CN(C(N)=Nc1cccc2ccccc12)c1cccc(N)c1 |w:4.4|
CC(C)c1cccc(NC(N)=Nc2cccc(c2)C(C)C)c1 |w:11.11|
CC(C)(C)c1ccccc1NC(N)=Nc1ccccc1C(C)(C)C |w:13.14|
CCc1cccc(c1)N=C(N)N(C)c1cccc(CC)c1 |w:8.8|
CCN(C(N)=Nc1cccc2ccccc12)c1cccc(CC)c1 |w:5.5|
N=C(N1CCc2ccccc12)N1CCc2ccccc12
NC(Nc1cccc2CCCc12)=Nc1cccc2CCCc12 |w:12.14|
NC(Nc1ccccc1-c1ccccc1)=Nc1ccccc1-c1ccccc1 |w:15.17|
CCCc1cccc(NC(N)=Nc2cccc(CCC)c2)c1 |w:11.11|
CC(C)c1ccccc1N=C(N)Nc1cccc2ccccc12 |w:9.9|
NC(=Nc1cccc2ccccc12)N1CCC(CC1)c1ccccc1 |w:2.2|
CCc1cccc(NC(N)=Nc2cccc(CC)c2)c1 |w:10.10|
CC(C)c1ccccc1NC(N)=Nc1ccccc1C(C)C |w:12.13|
CN(C(N)=Nc1cccc2ccccc12)c1cccc(c1)N=[N+]=[N-] |w:4.4|
CN(C(N)=Nc1cccc(N)c1)c1cccc2ccccc12 |w:4.4|
CCc1cccc(c1)N(C)C(=N)N(C)c1cccc2ccccc12
CN(C(=N)N(C)c1cccc2ccccc12)c1cccc2ccccc12
NC(=Nc1cccc2ccccc12)N1CCCCCC1 |w:2.2|
CN(C(N)=Nc1cccc2ccccc12)c1ccccc1 |w:4.4|
CN(C(N)=Nc1ccccc1C)c1ccccc1C |w:4.4|
CCN(C(=N)N(C)c1cccc2ccccc12)c1cccc2ccccc12
C\[N+](=C(\[NH-])Nc1cccc(c1)[N+]([O-])=O)c1cccc2ccccc12
NC(Nc1cccc(I)c1)=Nc1cccc(I)c1 |w:10.11|
N=C(N1CCCc2ccccc12)N1CCCc2ccccc12
CN(C(=N)N(c1ccccc1)c1cccc2ccccc12)c1cccc2ccccc12
C[C@]12NC(Cc3ccccc13)c1ccccc21
C[C@]12N[C@H](Cc3ccc(cc13)N=C=S)c1ccccc21
C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
COc1ccc(CN2C[C@@H]3CC[C@H](COc4ccccc4)[C@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:12.11.10:23.22,13:12:7.8:23.22,THB:24:23:7.8:12.11.10|
COc1ccc(CN2C[C@H]3CC[C@@H](COc4ccccc4)[C@@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:12.11.10:23.22,13:12:7.8:23.22,THB:24:23:7.8:12.11.10|
COc1ccc(CN2C[C@@H]3CC[C@@H](COc4ccccc4)[C@H]2CN3CC=C)cc1 |r,TLB:6:7:12.11.10:23.22,13:12:7.8:23.22,THB:24:23:7.8:12.11.10|
COc1ccc(CN2C[C@H]3CC[C@@H](COc4ccccc4)[C@@H]2CN3CC=C)cc1 |r,TLB:6:7:12.11.10:23.22,13:12:7.8:23.22,THB:24:23:7.8:12.11.10|
COc1ccc(CN2C[C@@H]3CC[C@H](COc4ccccc4)[C@H]2CN3CC=C)cc1 |r,TLB:6:7:12.11.10:23.22,13:12:7.8:23.22,THB:24:23:7.8:12.11.10|
COc1cccc2[C@@H](CCCc12)NCCN1CCN(CC1)C1CCCCC1 |r|
COc1cccc2[C@@H](CCCc12)OCCN1CCN(CC1)C1CCCCC1 |r|
CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
COc1cccc2N(CCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)CCc12
O=C1CCc2ccc(OCCN3CCOCC3)cc2N1Cc1ccccc1
O=C1CCc2ccc(OCCCN3CCOCC3)cc2N1Cc1ccccc1
O=C1CCc2ccc(OCCCCN3CCOCC3)cc2N1Cc1ccccc1
O=C1CCc2ccc(OCCCCCN3CCOCC3)cc2N1Cc1ccccc1
O=C1CCc2ccc(OCCCCCCN3CCOCC3)cc2N1Cc1ccccc1
O=C1CCc2ccc(OCCCN3CCOCC3)cc2N1CCc1ccccc1
O=C1CCc2ccc(OCCCCN3CCOCC3)cc2N1CCc1ccccc1
O=C1CCc2cc(OCCN3CCOCC3)ccc2N1Cc1ccccc1
O=C1CCc2cc(OCCCN3CCOCC3)ccc2N1Cc1ccccc1
O=C1CCc2cc(OCCCCN3CCOCC3)ccc2N1Cc1ccccc1
O=C1CCc2cc(OCCCCCN3CCOCC3)ccc2N1Cc1ccccc1
O=C1CCc2cc(OCCCCCCN3CCOCC3)ccc2N1Cc1ccccc1
O=C1CCc2cc(OCCCN3CCOCC3)ccc2N1CCc1ccccc1
O=C1CCc2cc(OCCCCN3CCOCC3)ccc2N1CCc1ccccc1
Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
O=C1CCc2ccc(OCCCN3CCCCC3)cc2N1Cc1ccccc1
CC1CCN(CCCOc2ccc3CCC(=O)N(Cc4ccccc4)c3c2)CC1
O=C1CCN(CCCOc2ccc3CCC(=O)N(Cc4ccccc4)c3c2)CC1
CN1CCN(CCCOc2ccc3CCC(=O)N(Cc4ccccc4)c3c2)CC1
O=C1CCc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2N1Cc1ccccc1
O=C1CCc2ccc(OCCCN3CCCC3)cc2N1Cc1ccccc1
CN(C)CCCOc1ccc2CCC(=O)N(Cc3ccccc3)c2c1
CCN(CC)CCCOc1ccc2CCC(=O)N(Cc3ccccc3)c2c1
Cc1ccc(CN2C(=O)CCc3ccc(OCCCN4CCCCC4)cc23)cc1
Fc1ccc(CN2C(=O)CCc3ccc(OCCCN4CCCCC4)cc23)cc1
O=C1CCc2ccc(OCCCN3CCCCC3)cc2N1
CN1C(=O)CCc2ccc(OCCCN3CCCCC3)cc12
CC1CCN(CCCOc2ccc3CCC(=O)N(Cc4ccc(C)cc4)c3c2)CC1
CC1CCN(CCCOc2ccc3CCC(=O)N(Cc4ccc(F)cc4)c3c2)CC1
CC1CCN(CCCOc2ccc3CCC(=O)Nc3c2)CC1
CC1CCN(CCCOc2ccc3CCC(=O)N(C)c3c2)CC1
COc1ccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c(OC)c1OC
CS(=O)(=O)n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
O=S(=O)(c1ccccc1)n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc(F)cc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9|
COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
Fc1ccc(cc1)C1=CC2CCC(C1)N2CCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |t:8|
COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC
COc1cc2CCN(CCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC
COc1cc2CCN(CCNC(=O)c3cc(Br)ccc3OC)Cc2cc1OC
COc1cc2CCN(CCNC(=O)c3cc(C)ccc3OC)Cc2cc1OC
[H][C@]12C[C@](CCN1C)(CC(=O)\C2=C\c1cccc(O)c1)c1cccc(O)c1 |r|
[H][C@@]12C[C@@](CCN1C)(CC(=O)\C2=C\c1cccc(O)c1)c1cccc(O)c1 |r|
[H][C@]12C[C@](CCN1C)(CC(=O)\C2=C\c1ccc(Cl)c(Cl)c1)c1cccc(O)c1 |r|
CN1CC[C@@]2(C[C@H]1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |r,w:8.9|
CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |r,TLB:22:12:7:5.4.9,14:13:7:5.4.9,THB:10:8:5.6:2.3,1:2:5.6:8.9,13:6:2.3:8.9|
CCC(Oc1ccc(Cl)cc1)C(=O)OC1CC2CCC(C1)N2C |TLB:13:14:21:17.18|
COc1ccc(CN2C3CCC2CC3)cc1OC
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(cc1)N(C)C |TLB:12:13:21:16.17.18|
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:10|
COc1cccc2[C@H](CCCc12)NC(=O)CN1CCN(CC1)C1CCCCC1 |r|
COc1cccc2C(CCCN3CCC(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCCC3CCN(CC3)C3CCCCC3)CCCc12
COc1cccc2[C@@H](CCCc12)NC(=O)CN1CCN(CC1)C1CCCCC1 |r|
COc1cccc(CCN(C)CCN2CCCC2)c1
CN(CCN1CCCC1)CCc1cccc(c1)[N+]([O-])=O
CN(CCN1CCCC1)CCc1ccccc1[N+]([O-])=O
CN(CCN1CCCC1)CCc1cccc(N)c1
COc1cccc(CC(=O)N(C)CCN2CCCC2)c1
COc1ccc(CCN(C)CCN2CCCC2)cc1
COc1ccccc1CCN(C)CCN1CCCC1
CN(CCN1CCCC1)C(=O)Cc1ccccc1[N+]([O-])=O
CN(CCN1CCCC1)C(=O)Cc1ccc(cc1)[N+]([O-])=O
CN(CCN1CCCC1)CCc1ccc(N)cc1
CN(CCN1CCCC1)CCc1ccc(cc1)[N+]([O-])=O
CN(CCN1CCCC1)CCc1ccccc1N
COc1ccccc1CC(=O)N(C)CCN1CCCC1
CN(CCN1CCCC1)C(=O)Cc1cccc(c1)[N+]([O-])=O
COc1ccc(CC(=O)N(C)CCN2CCCC2)cc1
OCC[C@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1 |r|
OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1 |r|
OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1 |r|
OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r|
OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r|
OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 |r|
OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 |r|
OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc2ccccc2c1 |r|
COc1ccc2cc(CN3CCN(CC4CCCCC4)C[C@@H]3CCO)ccc2c1 |r|
Cc1ccccc1NC(=N)Nc1ccccc1C
CCCCN1CCN(Cc2ccccc2)[C@@H](CCO)C1 |r|
CC(C)CCN1CCN(Cc2ccccc2)[C@@H](CCO)C1 |r|
CN1CCN(Cc2ccc(cc2)-c2ccccc2)[C@@H](CCO)C1 |r|
CCCCN1CCN(Cc2ccc(cc2)-c2ccccc2)[C@@H](CCO)C1 |r|
CCCCN1CCN(Cc2ccc(OC)cc2)[C@@H](CCO)C1 |r|
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
[O-][N+](=O)c1ccc(NCCCCCCCCCCOc2cccc3C(CCCN4CCN(CC4)C4CCCCC4)CCCc23)c2nonc12
Nc1ccc2C(=O)N(CCCCCCOc3cccc4C(CCCN5CCN(CC5)C5CCCCC5)CCCc34)C(=O)c3cccc1c23
CN(C)c1ccc2C(=O)N(CCCCCCOc3cccc4C(CCCN5CCN(CC5)C5CCCCC5)CCCc34)C(=O)c2c1
[Br-].CCN(CC)c1ccc2cc(\C=C\C3=[N+](CCCCCC(=O)NCCCCCCOc4cccc5C(CCCN6CCN(CC6)C6CCCCC6)CCCc45)c4ccccc4C3(C)C)c(=O)oc2c1 |c:13|
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccco2)CC1)c1ccc(F)cc1
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2cccnc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2cccs2)CC1)c1ccc(F)cc1
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2cccnc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2cccs2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccco2)CC1)c1ccc(F)cc1
Brc1ccccc1CN1CCC(COc2ccc(cc2)C#N)CC1
Fc1ccc(CN2CCC(COc3ccc(cc3)C#N)CC2)cc1
Ic1ccc(OCC2CCN(CC3CC3)CC2)cc1
Fc1ccc(CN2CCC(COc3c(F)c(F)c(F)c(F)c3F)CC2)cc1
[O-][N+](=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1
Ic1ccc(OCC2CCN(Cc3cccc(c3)C#N)CC2)cc1
I\C=C\CN1CCC(COc2ccc(cc2)C#N)CC1
FCCN1CCC(COc2ccc(I)cc2)CC1
N#Cc1ccc(OCC2CCN(CC3CC3)CC2)cc1
OCCN1CCC(COc2ccc(I)cc2)CC1
Ic1ccc(OCC2CCN(Cc3ccccc3C#N)CC2)cc1
Brc1ccc(OCC2CCN(CC3CC3)CC2)cc1
Ic1ccccc1CN1CCC(COc2ccc(cc2)C#N)CC1
FCCCN1CCC(COc2ccc(cc2)C#N)CC1
Fc1c(F)c(F)c(CN2CCC(COc3c(F)c(F)c(F)c(F)c3F)CC2)c(F)c1F
Brc1cccc(OCC2CCN(CC3CC3)CC2)c1
FCCN1CCC(COc2ccc(cc2)C#N)CC1
[O-][N+](=O)c1ccc(OCC2CCN(Cc3ccc(F)cc3)CC2)cc1
FCCCN1CCC(COc2c(F)c(F)c(F)c(F)c2F)CC1
Fc1cccc(CN2CCC(COc3c(F)c(F)c(F)c(F)c3F)CC2)c1
FCCCN1CCC(COc2ccc(Br)cc2)CC1
[H][C@@]12C[C@](CCN1C)(CC\C2=C\c1ccc(Cl)c(Cl)c1)c1cccc(O)c1 |r|
[H][C@@]12C[C@](CCN1C)(CC\C2=C\c1ccccc1)c1cccc(O)c1 |r|
COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
COc1cc2CCN(CCCCNC(=O)c3cc(C)ccc3OCCF)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cc(I)ccc3OCCF)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cn(nn3)-c3ccccc3OCCF)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cn(nn3)-c3cccc(OCCF)c3)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cn(nn3)-c3ccc(OCCF)cc3)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cn(nn3)-c3ccccc3OC)Cc2cc1OC
COc1cccc(c1)-n1cc(nn1)C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
COc1ccc(cc1)-n1cc(nn1)C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
COc1cc2CCN(CCCCNC(=O)c3c[nH]nn3)Cc2cc1OC
COc1ccccc1Cn1cc(nn1)C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
COc1cccc(Cn2cc(nn2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)c1
COc1ccc(Cn2cc(nn2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)cc1
COc1cc2CCN(CCCCNC(=O)c3cn(Cc4ccccc4)nn3)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cn(Cc4cccc(O)c4)nn3)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cn(Cc4ccc(O)cc4)nn3)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cn(Cc4cccc(OCCF)c4)nn3)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cn(Cc4ccc(OCCF)cc4)nn3)Cc2cc1OC
COc1ccccc1-n1cc(nn1)C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1
COc1cccc(c1)-n1cc(nn1)C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1
COc1ccc(cc1)-n1cc(nn1)C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1
COc1ccccc1Cn1cc(nn1)C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1
COc1cccc(Cn2cc(nn2)C(=O)NCCN2CCc3cc(OC)c(OC)cc3C2)c1
COc1ccc(Cn2cc(nn2)C(=O)NCCN2CCc3cc(OC)c(OC)cc3C2)cc1
COc1cc2CCN(CCCCNC(=O)c3ccc(cc3)-c3cn(CCF)nn3)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3ccc(cc3)-c3cn(CCOCCF)nn3)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3ccc(cc3)-c3cn(CCOCCOCCF)nn3)Cc2cc1OC
COc1ccccc1Cn1cc(nn1)-c1ccc(cc1)C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
COc1cccc(Cn2cc(nn2)-c2ccc(cc2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)c1
COc1ccc(Cn2cc(nn2)-c2ccc(cc2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)cc1
COc1cccc(Cn2cc(nn2)-c2cccc(c2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)c1
COc1cc2CCN(CCCCNC(=O)c3cc(ccc3OCC#C)C#N)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cc(ccc3OCc3cn(CCF)nn3)C#N)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cc(ccc3OC)-n3cc(CN(C)C)nn3)Cc2cc1OC
COc1ccc(cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1)-n1cc(nn1)-c1cncn1C
COc1cc2CCN(CCCCNC(=O)c3cc(ccc3OC)-n3cc(COCCOCCF)nn3)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cc(ccc3OCCF)-n3cc(CN(C)C)nn3)Cc2cc1OC
C(CN1CCN(CC1)c1ncccn1)Cc1nc2ccccc2s1
OC(CN1C2CCC1CC(C2)c1ccccc1)c1c(Cl)cccc1Cl |TLB:11:9:3:5.6|
O[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:14:15:21.22.20:17.18,23:21:15:17.18|
O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 |r|
O[C@@H]1CCCC[C@H]1N1CCC2(CCc3ccccc23)CC1
O[C@H]1CCCC[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:6:7:13.14.12:9.10,15:13:7:9.10|
O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CCc3ccccc23)CC1
OC(CN1C2CCC1CC(C2)c1ccccc1)Cc1ccc(Br)cc1 |TLB:11:9:3:5.6,THB:2:3:9.8.10:5.6|
O[C@@H](CN1CCC2(CCc3ccccc23)CC1)c1cccc(Br)c1
CN1CC2(CCN(CC2)[C@@H]2CCCC[C@H]2O)c2ccccc12
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15|
CN1CC2(CCN(CC2)[C@@H]2CN(Cc3cccc(I)c3)CC[C@H]2O)c2ccccc12
OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Br)cc1 |TLB:11:9:3:5.6|
O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCc3ccccc23)CC1
CN1CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc12
Fc1ccc(cc1)C(=O)CN1C2CCC1CC(C2)c1ccccc1 |TLB:18:16:10:12.13,THB:9:10:16.15.17:12.13|
OC(CN1C2CCC1CC(C2)c1ccccc1)c1cccc(Br)c1 |TLB:11:9:3:5.6|
OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccccc1Br |TLB:11:9:3:5.6|
O[C@@H](CN1CCC2(CCc3ccccc23)CC1)Cc1ccc(Br)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC2(CCc3ccccc23)CC1
O[C@H]1Cc2ccccc2C[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:10:11:17.18.16:13.14,19:17:11:13.14|
O[C@H]1CCN(Cc2cccc(I)c2)C[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:14:15:21.22.20:17.18,23:21:15:17.18|
OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Cl)c(Cl)c1 |TLB:11:9:3:5.6|
CN1CC2(CCN(C[C@H](O)Cc3ccc(Br)cc3)CC2)c2ccccc12
OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccccc1 |TLB:11:9:3:5.6|
CN1CC2(CCN(C[C@H](O)c3cccc(Br)c3)CC2)c2ccccc12
CCCc1ccc2n(CCN3CCCCC3)c(=O)sc2c1
CCC(=O)c1ccc2n(C(=O)CC)c(=O)sc2c1
CCCCC(=O)c1ccc2n(CCN(C)C)c(=O)sc2c1
CCC(=O)c1ccc2n(CCN3CCCCC3)c(=O)oc2c1
CCC(=O)c1ccc2n(CCN3CCCC3)c(=O)sc2c1
O=C(c1ccccc1)c1ccc2n(CCN3CCCC3)c(=O)sc2c1
CCC(=O)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1
O=c1oc2cc(Cc3ccccc3)ccc2n1CCN1CCOCC1
CN(C)CCn1c2ccc(cc2oc1=O)C(=O)c1ccccc1
O=S1(=O)c2ccccc2CCC11CCN(Cc2ccccc2)CC1
C(N1CCC2(CC1)CCc1ccccc1O2)c1ccccc1
O=C1c2ccccc2CCC11CCN(Cc2ccccc2)CC1
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1
O=S1c2ccccc2CCC11CCN(Cc2ccccc2)CC1
[H][C@@]12CCC[C@H](NCc3ccc(OC)cc3)[C@@]1([H])NC(=O)C(=O)N2Cc1ccc(OC)cc1 |r|
[H][C@@]12CCC[C@H](NCc3ccc(Cl)cc3)[C@@]1([H])NC(=O)C(=O)N2Cc1ccc(Cl)cc1 |r|
Clc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
CSc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
COc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
Fc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(F)c1
Oc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1O
Fc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1F
COc1cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
Fc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
COc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1OC
FC(F)(F)c1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
COc1cccc(C(O)CNC2CCN(Cc3ccccc3)CC2)c1OC
O=C(Cc1ccc2OCOc2c1)NC1CCN(Cc2ccccc2)CC1
Brc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
Clc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1
Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl
Clc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
[O-][N+](=O)c1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
COc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Clc1cccc(Cl)c1CC(=O)NC1CCN(Cc2ccccc2)CC1
Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Fc1cccc(F)c1CC(=O)NC1CCN(Cc2ccccc2)CC1
O=C(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1
Brc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
FC(F)(F)c1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
Nc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Oc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
[O-][N+](=O)c1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(c1)[N+]([O-])=O
Fc1cc(F)cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
COc1ccc(OC)c(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
CSc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
COc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
COc1cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1
Brc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Clc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
[O-][N+](=O)c1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
Fc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Fc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
[O-][N+](=O)c1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
COc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1
Fc1ccc(F)c(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Clc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl
CN(CCN1CCCCCC1)S(=O)(=O)c1ccc(Br)cc1
CCN(CC)CCNS(=O)(=O)c1ccc(I)cc1
Ic1ccc(cc1)S(=O)(=O)NCCN1CCCCC1
Brc1ccc(cc1)S(=O)(=O)NCCN1CCCC1
Brc1ccc(cc1)S(=O)(=O)NCCN1CCCCC1
Ic1ccc(cc1)S(=O)(=O)NCCN1CCCCCC1
N=C(NCc1ccccc1)NCc1ccccc1
CCN(CC)CCNS(=O)(=O)c1ccc(Br)cc1
Brc1ccc(cc1)S(=O)(=O)NCCN1CCCCCC1
COc1ccc(cc1I)S(=O)(=O)NCCN1CCCCC1
CN(CCN1CCCCCC1)S(=O)(=O)c1ccc(I)cc1
COc1ccc(cc1I)S(=O)(=O)N(C)CCN1CCCCCC1
COc1cc2OC(C)(C)C=Cc2cc1C(C)NCc1ccccc1 |c:9|
COc1cc2OC(C)(C)C=Cc2cc1[C@@H](C)NCc1ccccc1 |r,c:9|
COc1cc2OC(C)(C)C=Cc2cc1[C@H](C)NCc1ccccc1 |r,c:9|
COc1cc2OC(C)(C)C=Cc2cc1C(C)NCCc1ccccc1 |c:9|
COc1cc2OC(C)(C)C=Cc2cc1C(C)NCCCc1ccccc1 |c:9|
COc1cc2OC(C)(C)C=Cc2cc1C(C)NCCCCc1ccccc1 |c:9|
COc1ccc(CNC(C)c2cc3C=CC(C)(C)Oc3cc2OC)cc1 |c:13|
COc1cc2OC(C)(C)C=Cc2cc1C(C)NC\C=C\c1ccccc1 |c:9|
COc1cc2OC(C)(C)C=Cc2cc1C(C)N[C@H](C)c1ccccc1 |r,c:9|
COc1cc2OC(C)(C)C=Cc2cc1C(C)N[C@@H](C)c1ccccc1 |r,c:9|
CCNC(C)c1cc2C=CC(C)(C)Oc2cc1OC |c:8|
CCCCNC(C)c1cc2C=CC(C)(C)Oc2cc1OC |c:10|
CCN(CC)CCCC(C)NC(C)c1cc2C=CC(C)(C)Oc2cc1OC |c:16|
COc1cc2OC(C)(C)C=Cc2cc1C(C)NCC1CCCCC1 |c:9|
COc1cc2OC(C)(C)C=Cc2cc1C(C)N1CCCC1 |c:9|
COc1cc2OC(C)(C)C=Cc2cc1C(C)N(C)CCCc1ccccc1 |c:9|
COc1cc2OC(C)(C)C=Cc2cc1[C@@H](C)N(C)Cc1ccccc1 |r,c:9|
COc1cc2OC(C)(C)C=Cc2cc1[C@H](C)N(C)Cc1ccccc1 |r,c:9|
COc1cc2OC(C)(C)CCc2cc1C(C)NCc1ccccc1
COc1cc2OC(C)(C)CCc2cc1C(C)NCCc1ccccc1
COc1cc2OC(C)(C)CCc2cc1C(C)NCCCc1ccccc1
COc1cc2OC(C)(C)CCc2cc1C(C)NCCCCc1ccccc1
CCCCNC(C)c1cc2CCC(C)(C)Oc2cc1OC
COc1ccc2CCCC(CCCN3CCCC(C)(C)C3)c2c1
CC1(C)CCCN(CCCCC2CCCc3ccccc23)C1
CC1(C)CCCN(CCC2CCCc3ccccc23)C1
COc1cccc2C(CCCCN3CCCC(C)(C)C3)CCc12
COc1ccc2CCCC(CCCCN3CCCC(C)(C)C3)c2c1
CC1(C)CCCN(CCCC2CCc3ccccc23)C1
COc1ccc2C(CCCCCN3CCCC(C)(C)C3)CCCc2c1
COc1ccc2C(CCCCN3CCCC(C)(C)C3)CCCc2c1
CC1(C)CCCN(CCCCC2=CCCc3ccccc23)C1 |t:11|
COc1ccc2C(CCCN3CCCC(C)(C)C3)CCc2c1
COc1cccc2C(CCCCN3CCCC(C)(C)C3)CCCc12
CC1(C)CCCN(CCCC2=CCc3ccccc23)C1 |t:10|
CC1(C)CCCN(CCCC2CCCc3c(O)cccc23)C1
COc1ccc2C(CCCN3CCCC(C)(C)C3)CCCc2c1
CC1(C)CCCN(CCCCCC2CCCc3ccccc23)C1
CC1(C)CCCN(CCCC2CCCc3ccccc23)C1
CC1(C)CCCN(CCCCCc2ccccc2)C1
O[C@@H]1C[C@H]2CCCN([C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1)C(=O)c1ccccc1
O[C@@H]1C[C@H]2CCCN[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1
COc1ccc(CCN2CCN(CC2)C(=O)Cc2ccc(OC)cc2)cc1
[O-][N+](=O)c1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1
COc1cccc(CCN2CCN(CCc3cccc(OC)c3)CC2)c1
Clc1ccc(CC(=O)N2CCN(CCCc3ccccc3)CC2)cc1Cl
[O-][N+](=O)c1ccc(CC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
[O-][N+](=O)c1ccccc1CC(=O)N1CCN(CCCc2ccccc2)CC1
NCC(=O)N1CCN(CCCc2ccccc2)CC1
COc1ccccc1CCN1CCN(CCc2ccccc2OC)CC1
CC(C)(C)OC(=O)NCCC(=O)N1CCN(CCCc2ccccc2)CC1
COc1ccc(CC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
COc1cccc(CCN2CCN(CC2)C(=O)Cc2cccc(OC)c2)c1
COc1cccc(CC(=O)N2CCN(CCCc3ccccc3)CC2)c1
[O-][N+](=O)c1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1
NCCN1CCN(CCCc2ccccc2)CC1
Nc1ccccc1CCN1CCN(CCCc2ccccc2)CC1
CC(C)(C)OC(=O)NCC(=O)N1CCN(CCCc2ccccc2)CC1
[O-][N+](=O)c1ccccc1CCN1CCN(CCCc2ccccc2)CC1
COc1ccccc1CCN1CCN(CCCc2ccccc2)CC1
COc1ccccc1CC(=O)N1CCN(CCCc2ccccc2)CC1
COc1ccc(CCN2CCN(CCc3ccc(OC)cc3)CC2)cc1
Nc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1
COc1ccccc1CCN1CCN(CC1)C(=O)Cc1ccccc1OC
[O-][N+](=O)c1cccc(CC(=O)N2CCN(CCCc3ccccc3)CC2)c1
Clc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1Cl
CC(C)(C)OC(=O)NCCCC(=O)N1CCN(CCCc2ccccc2)CC1
NCCC(=O)N1CCN(CCCc2ccccc2)CC1
COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1
NCCCC(=O)N1CCN(CCCc2ccccc2)CC1
Nc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1
NCCCN1CCN(CCCc2ccccc2)CC1
NCCCCN1CCN(CCCc2ccccc2)CC1
COc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1
CCC[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCCN)n(Cc2ccccc2)c1=O
CC[C@H](C)[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCN)n(Cc2ccccc2)c1=O
NCCCCCc1c(O)n([C@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1
NCCCCc1c(O)n([C@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1
CC[C@H](C)[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCCN)n(Cc2ccccc2)c1=O
CC[C@@H](C)[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCN)n(Cc2ccccc2)c1=O
CC[C@H](C)[C@@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCN)n(Cc2ccccc2)c1=O
CCC[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCN)n(Cc2ccccc2)c1=O
NCCCCc1c(O)n([C@@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1
NCCCc1c(O)n([C@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1
OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(CC1)c1ccccc1
O[C@@H]1C[C@H]2CCCN(Cc3ccc(F)cc3)[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1
O[C@@H]1C[C@H]2CCCN(C\C=C\I)[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1
C[C@@H]1[C@@H]2Cc3ccccc3[C@H]1CCN2Cc1ccccc1 |TLB:14:13:1:9.3.4|
CC(C)[C@H]1C=Cc2ccccc2[C@@H]1CCNCc1ccccc1 |c:4|
C[C@H]1C=Cc2ccccc2[C@@H]1CCNCc1ccccc1 |c:2|
CC(C)[C@@H]1[C@@H]2Cc3ccccc3[C@H]1CCN2Cc1ccccc1 |TLB:16:15:3:11.5.6|
CC[C@@H]1C=Cc2ccccc2[C@H]1CCNCc1ccccc1 |c:3|
CC(C)[C@H]1[C@H]2Cc3ccccc3[C@@H]1CCN2Cc1ccccc1 |TLB:16:15:3:11.5.6|
C[C@@H]1C=Cc2ccccc2[C@H]1CCNCc1ccccc1 |c:2|
CC[C@H]1C=Cc2ccccc2[C@@H]1CCNCc1ccccc1 |c:3|
CC[C@@H]1[C@@H]2Cc3ccccc3[C@H]1CCN2Cc1ccccc1 |TLB:15:14:2:10.4.5|
C[C@H]1[C@H]2Cc3ccccc3[C@]1(C)CCN2Cc1ccccc1 |TLB:15:14:1:9.3.4|
CC(C)[C@@H]1C=Cc2ccccc2[C@H]1CCNCc1ccccc1 |c:4|
CC[C@H]1[C@H]2Cc3ccccc3[C@@H]1CCN2Cc1ccccc1 |TLB:15:14:2:10.4.5|
C[C@H]1[C@H]2Cc3ccccc3[C@@H]1CCN2Cc1ccccc1 |TLB:14:13:1:9.3.4|
C[C@@H]1[C@@H]2Cc3ccccc3[C@@]1(C)CCN2Cc1ccccc1 |TLB:15:14:1:9.3.4|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3|
Clc1ccc(CC(=O)OCCN2CCCC2)cc1Cl
CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
[H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6] |r,TLB:21:20:9.3.2:12.13.14|
Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r|
COc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 |r|
COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r|
CCN(CC)CCNC(=O)c1cc(I)c(N)cc1OC
CCN(CC)CCNC(=O)c1cc(OC)ccc1I
CCN(CC)CCNC(=O)c1cc(I)c(NC(C)=O)cc1OC
CCN(CC)CCNC(=O)c1cc(Br)c(N)c(I)c1OC
CCN(CC)CCNC(=O)c1cc(I)ccc1OC
CCN(CC)CCNC(=O)c1ccc(OC)c(I)c1
CCN(CC)CCNC(=O)c1ccc(NC(C)=O)c(I)c1
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC#N |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC#CCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC#N |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC#CCN1CC[C@@]2(C)C(C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCC1
COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCCCC1
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCCC1
COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(Cc2ccccc2)CC1
COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:27.35,25.27,29.31,wD:23.36,TLB:19:22:28:25.30.26,THB:24:23:28:25.30.26,24:25:23.22.31:28,(6.45,-6.28,;7.81,-7.06,;7.81,-8.6,;9.16,-9.38,;9.16,-10.93,;7.81,-11.71,;7.81,-13.25,;6.49,-10.93,;5.15,-11.71,;3.81,-10.93,;3.81,-9.38,;5.15,-8.61,;6.49,-9.39,;10.48,-8.6,;10.48,-7.06,;11.82,-9.38,;13.16,-8.58,;13.14,-7.06,;14.48,-6.28,;15.82,-7.06,;15.8,-8.6,;14.48,-9.35,;17.15,-6.29,;18.66,-5.87,;20.08,-6.44,;21.08,-5.17,;21.11,-3.64,;19.7,-3.06,;18.34,-3.52,;18.36,-5.03,;19.7,-5.51,;18.66,-4.28,)|
COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1
COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1C2CCCC1CCC2
COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCCCC1
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCC1
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCC1
COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2C1CCCCC1 |THB:15:16:24:19.21.20,25:24:16.23.17:19.21.20|
COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCCC1
COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1 |THB:15:16:24:19.21.20,25:24:16.17.23:19.21.20|
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCCCC1
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1Cc1ccccc1
COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1CCCCC1
COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2 |TLB:19:21:24.23.25:28.29.27|
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.31,17.18,wD:27.30,25.34,23.36,TLB:30:25:31:22.29.28,21:22:24:27.31.26,THB:28:29:24:27.31.26,28:27:24:22.29.30,(7.12,-5.88,;8.45,-6.65,;8.47,-8.19,;9.8,-8.96,;9.8,-10.5,;8.47,-11.27,;8.45,-12.81,;7.13,-10.5,;5.79,-11.27,;4.47,-10.5,;4.47,-8.96,;5.79,-8.19,;7.13,-8.96,;11.13,-8.19,;11.11,-6.65,;12.45,-8.96,;13.77,-8.16,;15.11,-8.93,;15.49,-10.44,;17.33,-10.44,;17.74,-8.96,;16.43,-8.19,;16.39,-6.65,;17.9,-6.23,;19.31,-6.78,;20.31,-5.53,;20.34,-3.99,;18.93,-3.41,;17.58,-3.89,;17.59,-5.37,;18.93,-5.85,;17.9,-4.63,)|
COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC |TLB:10:11:19:14.16.15|
COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCCC1
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCC1
COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCC1
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCC1
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.31,wD:27.30,25.34,23.36,17.18,TLB:30:25:31:22.29.28,21:22:24:27.31.26,THB:28:29:24:27.31.26,28:27:24:22.29.30,(7.12,-5.88,;8.45,-6.65,;8.47,-8.19,;9.8,-8.96,;9.8,-10.5,;8.47,-11.27,;8.45,-12.81,;7.13,-10.5,;5.79,-11.27,;4.47,-10.5,;4.47,-8.96,;5.79,-8.19,;7.13,-8.96,;11.13,-8.19,;11.11,-6.65,;12.45,-8.96,;13.77,-8.16,;15.11,-8.93,;15.49,-10.44,;17.33,-10.44,;17.74,-8.96,;16.43,-8.19,;16.39,-6.65,;17.9,-6.23,;19.31,-6.78,;20.31,-5.53,;20.34,-3.99,;18.93,-3.41,;17.58,-3.89,;17.59,-5.37,;18.93,-5.85,;17.9,-4.63,)|
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCCC1
COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCC1
COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:26.29,24.33,22.25,16.17,wD:28.32,TLB:19:21:23:26.30.25,THB:27:28:23:26.30.25,27:26:23:21.28.29,(6.46,-4.73,;7.77,-5.5,;7.81,-7.04,;9.12,-7.81,;9.12,-9.35,;7.81,-10.12,;7.77,-11.66,;6.46,-9.35,;5.14,-10.12,;3.8,-9.35,;3.8,-7.81,;5.14,-7.04,;6.46,-7.81,;10.47,-7.04,;10.44,-5.5,;11.79,-7.81,;13.1,-7,;13.1,-5.5,;15.76,-5.5,;15.76,-7.04,;14.45,-7.77,;17.08,-7.81,;18.27,-6.52,;18.27,-5.05,;19.61,-4.57,;20.99,-5.14,;20.99,-6.68,;19.97,-7.94,;18.55,-7.39,;18.55,-5.79,;19.58,-7,)|
COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1CCCC1
COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:26.29,24.33,22.25,wD:28.32,16.17,TLB:19:21:23:26.30.25,THB:27:28:23:26.30.25,27:26:23:21.28.29,(6.46,-4.72,;7.8,-5.49,;7.81,-7.03,;9.14,-7.8,;9.14,-9.35,;7.81,-10.12,;7.8,-11.66,;6.48,-9.35,;5.14,-10.12,;3.82,-9.35,;3.82,-7.8,;5.14,-7.04,;6.48,-7.81,;10.47,-7.03,;10.46,-5.49,;11.79,-7.8,;13.12,-7,;13.1,-5.49,;15.76,-5.49,;15.76,-7.03,;14.45,-7.77,;17.08,-7.8,;18.27,-6.51,;18.27,-5.04,;19.61,-4.56,;21.01,-5.13,;20.99,-6.67,;19.99,-7.94,;18.58,-7.38,;18.58,-5.79,;19.6,-7,)|
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1Cc1ccccc1
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1C2CCCC1CCC2 |TLB:21:22:29.28.30:25.24.26|
COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1CCCCCC1
COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2C1CCCCCC1 |THB:15:16:24:19.21.20,25:24:16.23.17:19.21.20|
COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1C2CCCC1CCC2 |TLB:19:21:24.23.25:28.29.27|
O=C(CSc1ncccn1)NC1CCN(Cc2ccccc2)CC1
O=C(Cc1cnc[nH]1)NC1CCN(Cc2ccccc2)CC1
Fc1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1
O=C(Cc1ccccc1)NC1CCN(CCc2ccccc2)CC1
Fc1cccc(CC(=O)NC2CCN(Cc3ccc(I)cc3)CC2)c1
O=C(Cc1ccccc1)NC1CCN(Cc2ccc3OCOc3c2)CC1
O=C(Cc1ccccn1)NC1CCN(Cc2ccccc2)CC1
O=C(Cc1ccncc1)NC1CCN(Cc2ccccc2)CC1
Ic1ccccc1CN1CCC(CC1)NC(=O)Cc1ccccc1
Fc1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2F)cc1
Fc1ccc(CN2CCC(CC2)NC(=O)Cc2cccc(Br)c2)cc1
O=C(Cc1ccccc1)NC1CCN(Cc2ccc3ccccc3c2)CC1
O=C(Cc1ccsc1)NC1CCN(Cc2ccccc2)CC1
O=C(Cc1ccc2ccccc2c1)NC1CCN(Cc2ccccc2)CC1
Clc1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)cc1Cl
COc1ccc2C(=O)CC(CC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1
Ic1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1
Fc1ccc(CN2CCC(CC2)NC(=O)Cc2cccc(F)c2)cc1
Ic1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)cc1
Brc1ccc2[nH]cc(CC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1
Fc1ccccc1CC(=O)NC1CCN(Cc2ccc(I)cc2)CC1
FC(F)(F)c1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1
Brc1cccc(CC(=O)NC2CCN(Cc3ccc(I)cc3)CC2)c1
Fc1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)cc1
O=C(CC1=CC(=O)OC2CC(=O)C=CC12)NC1CCN(Cc2ccccc2)CC1 |c:12,t:3|
[O-][N+](=O)c1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)cc1
O=C(NC1CCN(Cc2ccccc2)CC1)Nc1cccc2ccccc12
O=C(Cc1cccs1)NC1CCN(Cc2ccccc2)CC1
O=C(Cc1c[nH]c2ccccc12)NC1CCN(Cc2ccccc2)CC1
COc1ccc2[nH]cc(CC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1
Fc1ccccc1CC(=O)NC1CCN(Cc2cccc(I)c2)CC1
Fc1ccccc1CN1CCC(CC1)NC(=O)Cc1ccccc1
FC(F)(F)c1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)cc1
O=C(Cc1cccc2ccccc12)NC1CCN(Cc2ccccc2)CC1
O=C(Cc1cccnc1)NC1CCN(Cc2ccccc2)CC1
Fc1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)cc1F
Fc1ccc(CN2CCC(CC2)NC(=O)Cc2cccc(Cl)c2)cc1
Ic1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Clc1cccc(CC(=O)NC2CCN(Cc3cccc(I)c3)CC2)c1
Fc1cccc(CC(=O)NC2CCN(Cc3cccc(I)c3)CC2)c1
Brc1cccc(CC(=O)NC2CCN(Cc3cccc(I)c3)CC2)c1
FC(F)(F)c1ccccc1CN1CCC(CC1)NC(=O)Cc1ccccc1
Clc1cccc(CC(=O)NC2CCN(Cc3ccc(I)cc3)CC2)c1
COC1Cc2ccccc2C2(CCN(CCCCc3ccccc3)CC2)O1
C(N1CCC2(CC1)OC=Cc1ccccc21)c1ccccc1 |c:9|
O=C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
O=C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
COC1Cc2ccccc2C2(CCNCC2)O1
OC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
C(OC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1
OC1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1
COC1Cc2ccccc2C2(CCN(C\C=C\c3ccccc3)CC2)O1
C(N1CCC2(CC1)OCCc1ccccc21)c1ccccc1
COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
OC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
COC1Cc2ccccc2C2(CCN(C)CC2)O1
COC1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1
COC1Cc2ccccc2C2(CCN(CC2)c2ccccc2)O1
CCOC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
OC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
CC1CCCN(CCc2ccccc2)C1
C(CN1CCN(CC1)c1ccccn1)Cc1ccccc1
CC1CCN(CCc2ccccc2)CC1
CC1CCN(CCCc2ccccc2)CC1
C(Cc1ccccc1)N1CCc2ccccc2C1
CC1CCCN(CCCc2ccccc2)C1
C(Cc1ccccc1)N1CCCCC1
C(Cc1ccccc1)N1CCN(CC1)c1ccccn1
C(CN1CCc2ccccc2C1)Cc1ccccc1
C(CN1CCCCC1)Cc1ccccc1
Cn1c2ccc(CCCCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Cn1c2ccc(CCCCN3CCC(CC3)c3ccccc3)cc2sc1=O
Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
C[C@H]1CN(CCc2ccc3n(C)c(=O)sc3c2)C[C@@H](C)N1
Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Cn1c2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
C[C@H]1CN(CCCCc2ccc3n(C)c(=O)sc3c2)C[C@@H](C)N1
Cn1c2ccc(CCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
COc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
COc1cccc(CN2CCN(Cc3ccccc3)CC2)c1
Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl
Clc1ccccc1CN1CCN(Cc2ccccc2)CC1
Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Clc1ccc(CN2CCN(Cc3ccccc3)CC2)c(Cl)c1
C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
Clc1cccc(CN2CCN(Cc3ccccc3)CC2)c1
COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Cc1cc(OCCCN2CCC(=O)CC2)nc(n1)-c1ccccc1
Cc1cc(OCCCN2CCC(O)CC2)nc(n1)-c1ccccc1
Cc1cc(OCCCN2C(C)(C)CCCC2(C)C)nc(n1)-c1ccccc1
CC1CC(C)CN(CCCOc2cc(C)nc(n2)-c2ccccc2)C1
CC1CCN(CCCOc2cc(C)nc(n2)-c2ccccc2)CC1
Cc1cc(OCCN2CCOCC2)nc(n1)-c1ccccc1
Cc1cc(OCCCN2CCOCC2)nc(n1)-c1ccccc1
Cc1cc(OCCCCN2CCOCC2)nc(n1)-c1ccccc1
Cc1cc(OCCCCCN2CCOCC2)nc(n1)-c1ccccc1
Cc1cc(OCCCCCCN2CCOCC2)nc(n1)-c1ccccc1
Cc1cc(OC\C=C\CN2CCOCC2)nc(n1)-c1ccccc1
Cc1cc(OCCOCCN2CCOCC2)nc(n1)-c1ccccc1
Cc1cc(OCC(O)CN2CCOCC2)nc(n1)-c1ccccc1
Cc1cc(OCCCN2CCCCC2)nc(n1)-c1ccccc1
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)C1CC1
Cc1nc(C)c(Cl)c(OCCCN2CCCCC2)n1
Cc1ncnc(OCCCN2CCCCC2)c1Cl
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc2ccccc2c1
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)c(Cl)c1
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)c(F)c1
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)cc1
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(cc1)C(F)(F)F
COc1ccc(cc1)-c1nc(C)c(Cl)c(OCCCN2CCCCC2)n1
Cc1ccc(cc1)-c1nc(C)c(Cl)c(OCCCN2CCCCC2)n1
C(COc1nc(nc2CCCCc12)-c1ccccc1)CN1CCCC1
C(COc1nc(nc2CCCCc12)-c1ccccc1)CN1CCCCC1
C(COc1nc(nc2CCCc12)-c1ccccc1)CN1CCCC1
C(COc1nc(nc2CCCc12)-c1ccccc1)CN1CCCCC1
Cc1nc(nc(OCCCN2CCCC2)c1Cl)-c1ccccc1
Cc1nc(nc(OCCCN2CCCC2)c1F)-c1ccccc1
Cc1nc(nc(OCCCN2CCCC2)c1C)-c1ccccc1
C(COc1cc(nc(n1)-c1ccccc1)-c1ccccc1)CN1CCCC1
C(COc1cc(nc(n1)-c1ccccc1)C1CC1)CN1CCCC1
FC(F)(F)c1cc(OCCCN2CCCC2)nc(n1)-c1ccccc1
COc1cc(OCCCN2CCCC2)nc(n1)-c1ccccc1
CC(C)c1cc(OCCCN2CCCC2)nc(n1)-c1ccccc1
CCCc1cc(OCCCN2CCCC2)nc(n1)-c1ccccc1
CCc1cc(OCCCN2CCCC2)nc(n1)-c1ccccc1
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccccc1
Cc1nc(nc(OCCCN2CCCCC2)c1F)-c1ccccc1
Cc1nc(nc(OCCCN2CCCCC2)c1C)-c1ccccc1
C(COc1cc(nc(n1)-c1ccccc1)-c1ccccc1)CN1CCCCC1
C(COc1cc(nc(n1)-c1ccccc1)C1CC1)CN1CCCCC1
FC(F)(F)c1cc(OCCCN2CCCCC2)nc(n1)-c1ccccc1
COc1cc(OCCCN2CCCCC2)nc(n1)-c1ccccc1
CC(C)c1cc(OCCCN2CCCCC2)nc(n1)-c1ccccc1
CCCc1cc(OCCCN2CCCCC2)nc(n1)-c1ccccc1
CCc1cc(OCCCN2CCCCC2)nc(n1)-c1ccccc1
CCCN(CCC)CCCOc1cc(C)nc(n1)-c1ccccc1
CCN(CC)CCCOc1cc(C)nc(n1)-c1ccccc1
CN(C)CCCOc1cc(C)nc(n1)-c1ccccc1
Cc1cc(OCCCN2CCCC2)nc(n1)-c1ccccc1
Cc1cc(OCCCN2CCN(CC2)c2ccccc2)nc(n1)-c1ccccc1
Cc1cc(OCCCN2CCN(CC2)C(=O)OC(C)(C)C)nc(n1)-c1ccccc1
CN1CCCN(CCCOc2cc(C)nc(n2)-c2ccccc2)CC1
CCN1CCN(CCCOc2cc(C)nc(n2)-c2ccccc2)CC1
CN1CCN(CCCOc2cc(C)nc(n2)-c2ccccc2)CC1
Cc1cc(OCCCN2CCNCC2)nc(n1)-c1ccccc1
COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCc2ccccc2C1
COc1ccc(Br)cc1C(=O)NCCN1CCc2ccccc2C1
COc1c(cc(Br)c2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1cc2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)Cc2cc1OC
COc1cc(Br)cc(C(=O)NCCN2CCc3ccccc3C2)c1OC
COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(C1)C1C2CC3CC(C2)CC1C3 |TLB:30:29:27:24.23.25,THB:19:21:27:24.23.25,30:24:27:21.29.28,25:26:21:24.23.30,25:24:21:26.27.28,(.47,2.25,;1.82,1.5,;1.82,-.03,;3.16,-.8,;3.17,-2.33,;1.83,-3.11,;1.83,-4.64,;.5,-2.34,;-.85,-3.12,;-2.18,-2.35,;-2.18,-.81,;-.85,-.05,;.5,-.81,;4.49,-.02,;4.49,1.51,;5.83,-.77,;7.16,-.01,;7.31,1.52,;8.81,1.85,;9.6,.53,;8.57,-.63,;11.12,.37,;11.75,-1.04,;12.58,.32,;14.74,1.09,;15.98,.44,;14.17,.06,;13.28,-1.19,;13.54,1.45,;12.01,1.62,;13.47,2.41,)|
COc1cc2CCN(CCCCNC(=O)c3cc(Br)c4ccccc4c3OC)Cc2cc1OC
COc1ccc2CCC(CCc2c1)NCCCc1ccccc1
C(NC1CCc2ccccc2CC1)c1ccccc1
COc1ccc2C(O)CC(CCc2c1)NCCCc1ccccc1
C(CNC1CCc2ccccc2CC1)Cc1ccccc1
C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
C1C[C@H](CC[C@H]1NC1CCc2ccccc2CC1)c1ccccc1 |r,wU:5.6,2.20,(12.23,-10.22,;13,-11.55,;12.25,-12.88,;10.71,-12.89,;9.94,-11.57,;10.7,-10.23,;9.92,-8.91,;8.37,-8.93,;7.72,-10.34,;6.2,-10.7,;4.96,-9.73,;3.62,-10.52,;2.28,-9.74,;2.28,-8.19,;3.62,-7.42,;4.95,-8.18,;6.17,-7.2,;7.69,-7.53,;13.01,-14.21,;12.25,-15.54,;13.02,-16.86,;14.55,-16.85,;15.32,-15.51,;14.54,-14.2,)|
C1C[C@@H](CC[C@H]1NC1CCc2ccccc2CC1)c1ccccc1 |r,wU:5.6,wD:2.20,(12.23,-10.22,;13,-11.55,;12.25,-12.88,;10.71,-12.89,;9.94,-11.57,;10.7,-10.23,;9.92,-8.91,;8.37,-8.93,;7.72,-10.34,;6.2,-10.7,;4.96,-9.73,;3.62,-10.52,;2.28,-9.74,;2.28,-8.19,;3.62,-7.42,;4.95,-8.18,;6.17,-7.2,;7.69,-7.53,;13.01,-14.21,;12.25,-15.54,;13.02,-16.86,;14.55,-16.85,;15.32,-15.51,;14.54,-14.2,)|
C1CN(CCN1C1CCc2ccccc2CC1)c1ccccc1
COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
C(C1CCN(CC1)C1CCc2ccccc2CC1)c1ccccc1
C1CN(CCC1c1ccccc1)C1CCc2ccccc2CC1
C(Cc1ccccc1)NC1CCc2ccccc2CC1
C(CCc1ccccc1)CNC1CCc2ccccc2CC1
C(CN1Cc2ccccc2C1)CN1c2ccccc2Sc2ccccc12
C(CN1Cc2ccccc2C1)CN1c2ccccc2Oc2ccccc12
C(CN1Cc2ccccc2C1)CN1CCc2oc3ccccc3c2C1
C(CN1Cc2ccccc2C1)CN1CCc2[nH]c3ccccc3c2C1
C(CN1Cc2ccccc2C1)CN1CCc2c([nH]c3ccccc23)C1c1ccccc1
C(CN1Cc2ccccc2C1)CN1CCc2c(C1)[nH]c1ccccc21
C(CN1CCCC1)CN1CCc2c([nH]c3ccccc23)C1c1ccccc1
C(CN1CCCC1)CN1CCc2c(C1)[nH]c1ccccc21
CN(CCCN1c2ccccc2Sc2ccccc12)CCc1ccccc1
CN(CCCN1c2ccccc2Oc2ccccc12)CCc1ccccc1
CN(CCCN1CCc2oc3ccccc3c2C1)CCc1ccccc1
CN(CCCN1CCc2[nH]c3ccccc3c2C1)CCc1ccccc1
CN(CCCN1CCc2c([nH]c3ccccc23)C1c1ccccc1)CCc1ccccc1
CN(CCCN1CCc2c(C1)[nH]c1ccccc21)CCc1ccccc1
CN(CCCn1c2cc3C(CC(=O)c3cc2oc1=O)c1ccc(Cl)cc1)Cc1ccccc1
CN(CCCn1c2cc3C(CC(=O)c3cc2oc1=O)c1ccccc1)Cc1ccccc1
CN(CCCN1c2ccccc2Sc2ccccc12)Cc1ccccc1
CN(CCCN1c2ccccc2Oc2ccccc12)Cc1ccccc1
CN(CCCN1CCc2oc3ccccc3c2C1)Cc1ccccc1
CN(CCCN1CCc2[nH]c3ccccc3c2C1)Cc1ccccc1
CN(CCCN1CCc2c([nH]c3ccccc23)C1c1ccccc1)Cc1ccccc1
CN(CCCN1CCc2c(C1)[nH]c1ccccc21)Cc1ccccc1
O=C1C2Cc3ccccc3CN2C(=O)N1CCCN1Cc2ccccc2C1
[H][C@]12Cc3ccccc3CN1C(=O)N(CCCN(C)Cc1ccccc1)C2=O |r|
CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
COc1cccc2C(CCC(=O)N3CCC4(CC3)OCc3ccccc43)CCCc12
COc1cccc2C(CCC(=O)N3CCC(CC3)c3ccc(F)cc3)CCCc12
COc1cccc2C(CCC(=O)N3CCC(CC3)C3CCCCC3)CCCc12
COc1cc2CCN(CCCC3CCCc4c(OC)cccc34)Cc2cc1OC
COc1cc2CCN(Cc2cc1OC)C(=O)CCC1CCCc2c(OC)cccc12
COc1cc2CCN(CC(=O)NC3CCCc4c(OC)cccc34)Cc2cc1OC
COc1cc2CCN(CC(=O)N[C@@H]3CCCc4c(OC)cccc34)Cc2cc1OC |r|
COc1cc2CCN(CC(=O)N[C@H]3CCCc4c(OC)cccc34)Cc2cc1OC |r|
COc1cc2CCN(CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC
COc1cc2CCN(Cc2cc1OC)C(=O)CCCc1cn(-c2ccc(F)cc2)c2ccccc12
COc1cc2CCN(CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)C(=O)c2cc1OC
COc1cc2CCN(CC(=O)NCc3cn(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC
COc1cc2CCN(CCCCn3c4ccccc4c4ccccc34)Cc2cc1OC
COc1cc2CCN(CCCC(=O)n3c4ccccc4c4ccccc34)Cc2cc1OC
COc1cc2CCN(CCCCn3c4ccccc4c4ccccc34)C(=O)c2cc1OC
CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)[C@H]1CCc2c1ccc(OC)c2OC |r|
CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)[C@@H]1CCc2c1ccc(OC)c2OC |r|
CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)C1CCc2c1ccc(OC)c2OC
COc1ccc2[C@H](CCc2c1OC)NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |r|
COc1ccc2[C@@H](CCc2c1OC)NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |r|
COc1ccc2C(CCc2c1OC)NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12
CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(OC)c(OC)c1
CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(OC)c1
COc1ccc(CNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1OC
COc1ccc(CNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1
COc1cccc(CNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1
COc1ccc(CCN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1OC
COc1ccc(CCN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1
COc1cccc(CCN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1
COc1ccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1OC
COc1ccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1
COc1cccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1
C(CN1CCN(CCc2ccc3OCCCOc3c2)CC1)Cc1ccccc1
C(CN1CCN(CCc2ccc3OCCOc3c2)CC1)Cc1ccccc1
C(CN1CCN(CCc2ccc3OCOc3c2)CC1)Cc1ccccc1
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCCc1ccccc1
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCc1ccccc1
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCC=C
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCBr
CCCOc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC\C=C/I
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC\C=C\I
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCF
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCF
COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1O
CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
CCN(CC)CCCCC(O)(c1ccccc1)c1ccccc1
[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6]-[#6]-c1ccccc1
[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-2/c3ccccc3-[#16]-c3ccccc-23)-[#6]-[#6]-1
CC1CCN(CCCCCc2ccccc2)CC1
CCN(CC)CCCCC(c1ccccc1)c1ccccc1
[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-[#6]-1
CN1CCN(CCCCc2ccccc2)CC1
CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1
CN(CCCCC(c1ccccc1)c1ccccc1)CCc1ccccc1
[#6](-[#6]-[#7]-[#6]-[#6]-c1ccccc1)-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1
CC1CCN(CCCC(c2ccccc2)c2ccccc2)CC1
CN1CCN(CC\C=C/c2ccccc2)CC1
CN1CCN(CC\C=C\c2ccccc2)CC1
CC1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1
C(CCC(c1ccccc1)c1ccccc1)CNCCc1ccccc1
[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-[#6]-1
CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Oc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
C(CCN1CCN(CC1)C1CCCCC1)CCc1cccc2ccccc12
COc1cccc2c1CCC[C@@H]2CCCN3CCN(CC3)C4CCCCC4
C(CCN1CCN(CC1)C1CCCCC1)CC1CCCc2ccccc12
COc1cccc2[C@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12
COc1ccc2CCCC(CCCN3CCN(CC3)C3CCCCC3)c2c1
Oc1ccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc2c1
COc1ccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc2c1
C(CCc1cccc2ccccc12)CN1CCN(CC1)C1CCCCC1
COc1cccc2C(CCCCCN3CCN(CC3)C3CCCCC3)CCCc12
C(CC1CCCc2ccccc12)CN1CCN(CC1)C1CCCCC1
COc1cccc2C(CN3CCN(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCCCN3CCN(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCN3CCN(CC3)C3CCCCC3)CCCc12
C(CCC1CCCc2ccccc12)CCN1CCN(CC1)C1CCCCC1
COc1cccc2C(CCCc12)N1CCN(CC1)C1CCCCC1
C(CN1CCN(CC1)C1CCCCC1)Cc1cccc2ccccc12
COc1cccc2C(CCCCCCN3CCN(CC3)C3CCCCC3)CCCc12
COc1cccc2c(CCCN3CCN(CC3)C3CCCCC3)cccc12
C(N1CCC2(CC1)OCCc1ccncc21)c1ccccc1
CCCCN1CCC2(CC1)OC(Cc1ccccc21)OC
N#CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
CCCCN1CCC2(CC1)OC(Cc1sccc21)OC
N#CCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
C(N1CCC2(CC1)OCCc1sccc21)c1ccccc1
COC1Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2ccncc2C2(CCN(CC3CCCCC3)CC2)O1
CCCCN1CCC2(CC1)OC(Cc1ccncc21)OC
COC1Cc2ccncc2C2(CCN(CCC(C)C)CC2)O1
COC1Cc2ccncc2C2(CCN(CCCc3ccccc3)CC2)O1
OC1Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1
N#CCC1Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1
C(N1CCC2(CC1)OC=Cc1ccncc21)c1ccccc1 |c:9|
CN1CCN(C2C(CCCC12)N1CCC(O)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
[H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
OC1CCN(C1)C1CCCC2C1N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
CCCCN1CCN(C2C(CCCC12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
OC1(CCN(CCC[C@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r|
OC1(CCN(CCC[C@@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r|
[H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|
Clc1ccc(CN2CCC(CC2)C(=O)NCc2ccccc2)cc1
Clc1ccc(CN2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(Cl)c1
Clc1ccc(CN2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
O=C(C1CCN(Cc2ccccc2)CC1)N1CCc2ccccc2C1
Clc1ccc(CN2CCC(CC2)C(=O)N2CCCc3ccccc23)c(Cl)c1
Clc1ccc(CN2CCC(CC2)C(=O)N2CCCc3ccccc23)cc1
O=C(C1CCN(Cc2ccccc2)CC1)N1CCCc2ccccc12
CC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
CC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
CC(C)NC(=O)C1CCN(Cc2ccccc2)CC1
CCCCCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
CCCCCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
CCCCCC(C)NC(=O)C1CCN(Cc2ccccc2)CC1
Clc1ccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c(Cl)c1
Clc1ccc(CN2CCC(CC2)C(=O)NC2CCCCC2)cc1
O=C(NC1CCCCC1)C1CCN(Cc2ccccc2)CC1
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NC2CC3CCCC(C2)C3NCc2ccccc2)c1 |THB:21:22:25.26.27:30,(4.98,-7.08,;5.64,-6.04,;5.06,-4.61,;6.23,-3.66,;7.53,-4.44,;9.01,-4,;10.13,-5.08,;11,-5.96,;10.4,-3.88,;9.76,-6.57,;8.27,-7.02,;7.97,-8.21,;7.17,-5.93,;6.11,-2.12,;7.39,-1.26,;7.27,.28,;5.89,.95,;5.77,2.49,;4.67,3.02,;6.79,3.18,;4.61,.08,;3.22,.75,;1.97,-.11,;.74,-.23,;-.68,.38,;-1.99,-.31,;-2.31,-1.77,;-1.29,-1.03,;.09,-.99,;1.31,-1.6,;-.46,1.79,;-.47,3.3,;.86,4.08,;.85,5.62,;2.18,6.4,;2.16,7.94,;.82,8.7,;-.5,7.92,;-.49,6.38,;4.73,-1.45,)|
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NC2CC3CCCC(C2)C3N)c1 |THB:21:22:25.26.27:30,(4.99,-7.1,;5.65,-6.05,;5.07,-4.62,;6.24,-3.67,;7.54,-4.45,;9.03,-4,;10.15,-5.09,;11.02,-5.97,;10.42,-3.89,;9.78,-6.58,;8.28,-7.03,;7.98,-8.22,;7.18,-5.94,;6.12,-2.13,;7.4,-1.26,;7.28,.28,;5.9,.95,;5.78,2.49,;4.67,3.03,;6.8,3.18,;4.62,.08,;3.23,.75,;1.97,-.11,;.74,-.23,;-.68,.38,;-2,-.31,;-2.31,-1.78,;-1.3,-1.04,;.09,-.99,;1.31,-1.6,;-.46,1.79,;-.49,3.03,;4.73,-1.46,)|
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NC2CC3CCCC(C2)C3NCCO)c1 |THB:21:22:25.26.27:30,(4.98,-7.08,;5.64,-6.04,;5.06,-4.61,;6.23,-3.66,;7.53,-4.44,;9.01,-4,;10.13,-5.08,;11,-5.96,;10.4,-3.88,;9.76,-6.57,;8.27,-7.02,;7.97,-8.21,;7.17,-5.93,;6.11,-2.12,;7.39,-1.26,;7.27,.28,;5.89,.95,;5.77,2.49,;4.67,3.02,;6.79,3.18,;4.61,.08,;3.22,.75,;1.97,-.11,;.74,-.23,;-.68,.38,;-1.99,-.31,;-2.31,-1.77,;-1.29,-1.03,;.09,-.99,;1.31,-1.6,;-.46,1.79,;-.47,3.3,;.86,4.08,;.85,5.62,;1.91,6.24,;4.73,-1.45,)|
COc1cc2CCN(CCNc3cc(ccc3C(N)=O)-n3nc(C)c4c3CC(C)(C)CC4=O)Cc2cc1OC
COc1cc2CCN(CCCNc3cc(ccc3C(N)=O)-n3nc(C)c4c3CC(C)(C)CC4=O)Cc2cc1OC
COc1cc2CCN(CCCCNc3cc(ccc3C(N)=O)-n3nc(C)c4c3CC(C)(C)CC4=O)Cc2cc1OC
COc1cc2CCN(CCCCCNc3cc(ccc3C(N)=O)-n3nc(C)c4c3CC(C)(C)CC4=O)Cc2cc1OC
COc1cc2CCN(CCCCCCNc3cc(ccc3C(N)=O)-n3nc(C)c4c3CC(C)(C)CC4=O)Cc2cc1OC
COc1cc2CCN(Cc2cc1OC)c1cc(ccc1C(N)=O)-n1nc(C)c2c1CC(C)(C)CC2=O
COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
[H][C@@]12Cc3ccccc3CN1C(=O)N(CCCN1Cc3ccccc3C1)C2=O |r|
CN(CCCn1c2ccccc2oc1=O)Cc1ccccc1
CN(CCCn1c2cc(Br)ccc2oc1=O)Cc1ccccc1
CN(CCCn1c2ccc(Br)cc2oc1=O)Cc1ccccc1
CN(CCCn1c2cc(Cl)ccc2oc1=O)Cc1ccccc1
CN(CCCn1c2ccccc2sc1=O)Cc1ccccc1
CN(CCCn1c2cc(Br)ccc2sc1=O)Cc1ccccc1
CN(CCCn1c2ccc(Br)cc2sc1=O)Cc1ccccc1
CN(CCCn1c2cc(Cl)ccc2sc1=O)Cc1ccccc1
CN(CCCN1C(=O)COc2ccc(Br)cc12)Cc1ccccc1
CN(CCCN1C(=O)CSc2ccc(Br)cc12)Cc1ccccc1
CN(CCCn1c2ccccc2n(C)c1=O)Cc1ccccc1
CN(CCCn1c(C)nc2ccccc12)Cc1ccccc1
O=c1oc2ccccc2n1CCCN1Cc2ccccc2C1
Brc1ccc2n(CCCN3Cc4ccccc4C3)c(=O)oc2c1
O=c1sc2ccccc2n1CCCN1Cc2ccccc2C1
Brc1ccc2n(CCCN3Cc4ccccc4C3)c(=O)sc2c1
Brc1ccc2OCC(=O)N(CCCN3Cc4ccccc4C3)c2c1
Cn1c2ccccc2n(CCCN2Cc3ccccc3C2)c1=O
CN(CCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O
OCCN1CCN(CCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
Oc1c2Cc3ccccc3Cn2c(=O)n1CCCNCc1ccccc1
Oc1c2Cc3ccccc3Cn2c(=O)n1CCCNCCCCc1ccccc1
Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCN(Cc2ccccc2)CC1
CN(CCCCCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O
CN(CCCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
Oc1c2Cc3ccccc3Cn2c(=O)n1CCN1CCCCC1
CN(C)CCCN1CCN(CCCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCCCC1
CN(CCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
CN(CCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
CN(CCCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN(Cc1ccccc1)c1nccn1C=O
OCCN1CCN(CCCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
Oc1c2Cc3ccccc3Cn2c(=O)n1C1CCN(Cc2ccccc2)CC1
CN(CCCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
CN(CCCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O
CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
CN(CCCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
CN(CCCCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O
Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCN(Cc2ccc3OCOc3c2)CC1
CN(C)CCCN1CCN(CCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
Oc1c2Cc3ccccc3Cn2c(=O)n1CCCNC1CCN(Cc2ccccc2)CC1
CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)c1ccccc1
CN(CCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
CN1CCN(CCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
CN1CCN(CCCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
CC(C)NC(=O)CN1CCN(CCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
C(CN1CCCCC1)N1C[C@@H]2Cc3ccccc3CN2C1
Oc1c2CCCCn2c(=O)n1CCN1CCCCC1
Oc1c2Cc3ccccc3Cn2c(=S)n1CCN1CCCCC1
Oc1c2Cc3ccc(O)cc3Cn2c(=O)n1CCN1CCCCC1
O=C1N(CCN2CCCCC2)C[C@@H]2Cc3ccccc3CN12
Oc1c2Cc3ccccc3-n2c(=O)n1CCCN1CCCCC1
CCN(CC)CCNc1cn(Cc2ccccc2)nn1
CN1CCN(CCNc2cn(Cc3ccccc3)nn2)CC1
CC(=O)N1CCN(CCNc2cn(Cc3ccc(Cl)c(Cl)c3)nn2)CC1
Clc1ccc(Cn2cc(NCCCN3CCOCC3)nn2)cc1Cl
C(CN1CCOCC1)Nc1cn(nn1)C1CCCCC1
CCCN(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1
CC(=O)N(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1
CC(=O)N(CCN1CCOCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1
CS(=O)(=O)N(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)-n1ccc(NCCN2CCCCC2)n1
Clc1ccc(cc1Cl)-n1ccc(NCCN2CCOCC2)n1
Fc1cccc(c1)-n1cc(NCCN2CCOCC2)nn1
Fc1ccc(cc1F)-n1cc(NCCN2CCOCC2)nn1
C(CN1CCOCC1)Nc1cn(Cc2ccccc2)nn1
Fc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1
Fc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1F
O=C(CN1CCCCC1)N1CCN(CC1)C1(C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:12:15:17:19.20.21,THB:22:20:17:23.24.15,22:23:17:19.20.21,15:16:19:22.23.24,15:23:19:17.21.16,(5.49,-4.45,;5.55,-3.22,;6.91,-2.51,;8.21,-3.33,;9.58,-2.63,;10.88,-3.46,;10.81,-4.99,;9.44,-5.7,;8.14,-4.87,;4.25,-2.39,;2.88,-3.1,;1.58,-2.27,;1.65,-.73,;3.02,-.02,;4.32,-.85,;.34,.1,;.34,-1.34,;-.86,-2.29,;-1.93,-1.46,;-3.75,-1.45,;-2.25,-.81,;-1.08,-1.65,;-2.32,.71,;-.84,1.05,;-2.1,.21,;.46,1.65,;1.84,2.32,;1.96,3.86,;.68,4.73,;-.7,4.06,;-.82,2.52,)|
COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
O[C@@H]1Cc2cccc(NC(=O)c3ccc(F)cc3)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
O[C@@H]1Cc2cccc(NC(=O)c3ccc(F)cc3)c2C[C@H]1N1CCC(Cc2ccccc2)CC1 |r|
O[C@@H]1Cc2c(C[C@H]1N1CCC(CC1)c1ccccc1)cccc2NC(=O)c1ccc(F)cc1 |r|
O[C@@H]1Cc2c(C[C@H]1N1CCC(Cc3ccccc3)CC1)cccc2NC(=O)c1ccc(F)cc1 |r|
O[C@@H]1CCCC[C@H]1N1CCN(CC1)c1ccccc1 |r|
O[C@@H]1CCCC[C@H]1N1CCC(=CC1)c1ccccc1 |r,c:11|
CCN(CCCc1ccccc1)[C@@H]1CCCC[C@H]1O |r|
O[C@@H]1CCCC[C@H]1N1CCC(O)(CC1)c1ccccc1 |r|
CC(=O)C1(CCN(CC1)[C@@H]1CCCC[C@H]1O)c1ccccc1 |r|
O[C@@H]1CCCC[C@H]1N1CCC(CC1)(c1ccccc1)c1ccccc1 |r|
O[C@@H]1CCCC[C@H]1N1CCC(Cc2ccccc2)CC1 |r|
O[C@@H]1CCCC[C@H]1N1CCc2ccccc2C1 |r|
O[C@@H]1CCCC[C@H]1N1CCC(CC1)N1CCCCC1 |r|
O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccncc1 |r|
O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)c1ccccc1)OCc1ccc(F)cc1 |r|
O[C@@H]1CC[C@H](C[C@H]1N1CCN(CC1)c1ccccc1)OCc1ccc(F)cc1 |r|
O[C@@H]1CC[C@H](C[C@H]1N1CCC(=CC1)c1ccccc1)OCc1ccc(F)cc1 |r,c:11|
CCN(CCCc1ccccc1)[C@@H]1C[C@@H](CC[C@H]1O)OCc1ccc(F)cc1 |r|
O[C@@H]1CC[C@H](C[C@H]1N1CCC(O)(CC1)c1ccccc1)OCc1ccc(F)cc1 |r|
CC(=O)C1(CCN(CC1)[C@@H]1C[C@@H](CC[C@H]1O)OCc1ccc(F)cc1)c1ccccc1 |r|
O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)(c1ccccc1)c1ccccc1)OCc1ccc(F)cc1 |r|
O[C@@H]1CC[C@H](C[C@H]1N1CCC(Cc2ccccc2)CC1)OCc1ccc(F)cc1 |r|
O[C@@H]1CC[C@H](C[C@H]1N1CCc2ccccc2C1)OCc1ccc(F)cc1 |r|
O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)N1CCCCC1)OCc1ccc(F)cc1 |r|
O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)OCc1ccc(F)cc1 |r|
O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)c1ccncc1)OCc1ccc(F)cc1 |r|
O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)c1ccccc1)OCc1ccc(F)cc1 |r|
O[C@@H]1C[C@H](CC[C@H]1N1CCN(CC1)c1ccccc1)OCc1ccc(F)cc1 |r|
O[C@@H]1C[C@H](CC[C@H]1N1CCC(=CC1)c1ccccc1)OCc1ccc(F)cc1 |r,c:11|
CCN(CCCc1ccccc1)[C@@H]1CC[C@@H](C[C@H]1O)OCc1ccc(F)cc1 |r|
O[C@@H]1C[C@H](CC[C@H]1N1CCC(O)(CC1)c1ccccc1)OCc1ccc(F)cc1 |r|
CC(=O)C1(CCN(CC1)[C@@H]1CC[C@@H](C[C@H]1O)OCc1ccc(F)cc1)c1ccccc1 |r|
O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)(c1ccccc1)c1ccccc1)OCc1ccc(F)cc1 |r|
O[C@@H]1C[C@H](CC[C@H]1N1CCC(Cc2ccccc2)CC1)OCc1ccc(F)cc1 |r|
O[C@@H]1C[C@H](CC[C@H]1N1CCc2ccccc2C1)OCc1ccc(F)cc1 |r|
O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)N1CCCCC1)OCc1ccc(F)cc1 |r|
O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)OCc1ccc(F)cc1 |r|
O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)c1ccncc1)OCc1ccc(F)cc1 |r|
Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)c1ccccc1
O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)c1ccccc1)OCCCF |r|
O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)c1ccccc1)OCCCF |r|
Nc1cccc2C[C@H]([C@H](O)Cc12)N1CCC(CC1)c1ccccc1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCN(CC1)c1ccccc1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(=CC1)c1ccccc1 |r,c:16|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(O)(CC1)c1ccccc1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(Cc2ccccc2)CC1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)N1CCCCC1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccncc1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
O[C@@H]1CC=CC[C@H]1N1CCC(CC1)c1ccccc1 |c:3|
O[C@@H]1Cc2cccc(OCCF)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
CC(CCN(C)C)c1ccc(cc1)-c1ccccc1
CC(CCN(C)C)c1cccc2ccccc12
CN(C)CCCC(C)(O)c1ccc2ccccc2c1
CN(C\C=C(/C)c1ccc2ccccc2c1)Cc1ccccc1
CN(C)C\C=C(/C)c1ccc2cc(O)ccc2c1
CN(C)C\C=C(/C)c1cccc2ccccc12
CN(C)C\C=C(/C)c1ccc(cc1)-c1ccccc1
COc1ccc2cc(ccc2c1)C(C)CCN(C)C
CC(CCN(C)Cc1ccccc1)c1ccc(cc1)-c1ccccc1
CC(CCN(C)C)c1ccc2ccccc2c1
CC(CCN(C)Cc1ccccc1)c1ccc2ccccc2c1
COc1ccc2cc(ccc2c1)C(\C)=C\CN(C)C
CC(CCN(C)C)c1ccc2cc(O)ccc2c1
CN(C)C\C=C(/C)c1ccc2ccccc2c1
CN(C\C=C(/C)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
COc1ccc(CCNCCCCNC(=O)c2cc(Br)cc(OC)c2OC)cc1OC
COc1cc(Br)cc(C(=O)NCCCCN2CCc3cc4OCOc4cc3C2)c1OC
COc1cc(Br)cc(C(=O)NCCCCN2CCc3cc4OCCOc4cc3C2)c1OC
COc1cc(Br)cc(C(=O)NCCCCN2CCc3cc4OCCCOc4cc3C2)c1OC
COC(=O)C1(CC1CN1CCN(CC1)c1ccccn1)c1ccc(cc1)[N+]([O-])=O
COC(=O)C1(CC1CN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1
COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1
COC(=O)C1(CC1CN1CCN(CC1)c1ncccn1)c1ccc(C)cc1
COC(=O)C1(CC1CN1CCN(CC1)c1ccccn1)c1ccccc1
COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(OC)cc1
COC(=O)C1(CC1CN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)[N+]([O-])=O
COC(=O)C1(CC1CN1CCN(CC1)c1ncccn1)c1ccccc1
COC(=O)C1(CC1CN1CCN(CC1)c1ccccn1)c1ccc(OC)cc1
COC(=O)C1(CC1CN1CCN(CC1)c1ncccn1)c1ccc(N)cc1
COC(=O)C1(CC1CN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1
COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(cc1)[N+]([O-])=O
COC(=O)C1(CC1CN1CCN(CC1)c1ncccn1)c1ccc(OC)cc1
COC(=O)C1(CC1CN1CCC(Cc2ccccc2)CC1)c1ccccc1
COC(=O)C1(CC1CN1CCN(CC1)c1ncccn1)c1ccc(cc1)[N+]([O-])=O
COC(=O)C1(CC1CN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
COC(=O)C1(CC1CN1CCN(CC1)c1ccccn1)c1ccc(C)cc1
COC(=O)C1(CC1CN1CCC(Cc2ccccc2)CC1)c1ccc(C)cc1
COC(=O)C1(CC1CN1CCN(CC1)c1ccccn1)c1ccc(N)cc1
COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccccc1
COC(=O)C1(CC1CN1CCN(CC1)c1ncccn1)c1ccc(Cl)cc1
COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)cc1
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCF)cc1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCOCCF)cc1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCOCCOCCF)cc1 |r|
O[C@@H]1Cc2cccc(O)c2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
O[C@@H]1Cc2c(O)cccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
O[C@@H]1Cc2cccc(OCCF)c2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
OC1Cc2cccc(OCCF)c2CC1N1CCC(CC1)C(=O)c1ccc(F)cc1
O[C@@H]1Cc2c(C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)cccc2OCCF |r|
O[C@@H]1Cc2cccc(C(=O)c3ccc(F)cc3)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
COc1cc2CCN(CCCCNC(=O)c3cc(I)cc(OC)c3OCCF)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cc(Br)ccc3OCCF)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OCCF)Cc2cc1OC
COc1cc2CCN(CCNC(=O)c3cc(C)ccc3OCCF)Cc2cc1OC
CCCCNCCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC
Ic1ccc(cc1)C(=O)NCCCCNN1CC2CCC1C2 |w:17.23,20.22|
FCCN1CCN(CCNC(=O)c2ccc(I)cc2)CC1
CCN(CC)CCNC(=O)c1cc(I)c(NS(=O)(=O)c2ccc(C)cc2)cc1OC
CCN(CC)CCNC(=O)c1cc(I)c(NS(C)(=O)=O)cc1OC
OCCN1CCN(CCNC(=O)c2ccc(I)cc2)CC1
COc1cc(NC(C)=O)c(I)cc1C(=O)NCCCCN(C)C(C)C
CCCN(CCC)CCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC
CCCCN(C)CCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC
CCCN(CCC)CCCCNC(=O)c1ccc(I)cc1
COc1cc(NC(C)=O)c(I)cc1C(=O)NCCCCNN1CC2CCC1C2 |w:26.26,23.23,TLB:20:21:25.24:27|
CN1CCC(CC1)(C#N)c1ccccc1
N#CC1(CCN(CCCCc2ccccc2)CC1)c1ccccc1
N#CC1(CCN(CCCc2ccccc2)CC1)c1ccccc1
N#CC1(CCN(CCc2ccccc2)CC1)c1ccccc1
N#CC1(CCN(Cc2ccccc2)CC1)c1ccccc1
CC(C)CN1CCC(CC1)(C#N)c1ccccc1
CC(=C)CN1CCC(CC1)(C#N)c1ccccc1
CCCN1CCC(CC1)(C#N)c1ccccc1
C=CCN1CCC(CC1)(C#N)c1ccccc1
CN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccccc1
CN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(C)c(C)c1
CN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(Cl)c1
CN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccccc1
CN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(C)c(C)c1
CN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(Cl)c1
O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1
Clc1ccccc1CN1CCC(Cn2c3ccccc3oc2=O)CC1
Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)c(Cl)c1
Fc1ccccc1CN1CCC(Cn2c3ccccc3oc2=O)CC1
Fc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Cc1ccccc1CN1CCC(Cn2c3ccccc3oc2=O)CC1
Cc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Cc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)c(C)c1
Cc1cc(C)c(CN2CCC(Cn3c4ccccc4oc3=O)CC2)c(C)c1
O=c1oc2ccccc2n1CC1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
O=c1oc2ccccc2n1CC1CCN(Cc2cccc3ccccc23)CC1
COc1ccc(CCN(C)CCN2CCCCC2)cc1
CCN(CCN1CCCCC1)CCc1cccc(OC(F)(F)F)c1
CN(CCN1CCCCC1)CCc1cccc(OC(F)(F)F)c1
CCN(CCN1CCCC1)CCc1cccc(OC(F)(F)F)c1
CN(CCN1CCCC1)CCc1cccc(OC(F)(F)F)c1
CCN(CCN1CCCCC1)CCc1ccccc1OC(F)(F)F
CN(CCN1CCCCC1)CCc1ccccc1OC(F)(F)F
CCN(CCN1CCCC1)CCc1ccccc1OC(F)(F)F
CN(CCN1CCCC1)CCc1ccccc1OC(F)(F)F
CCN(CCN1CCCCC1)CCc1ccc(OC(F)(F)F)cc1
CN(CCN1CCCCC1)CCc1ccc(OC(F)(F)F)cc1
CCN(CCN1CCCC1)CCc1ccc(OC(F)(F)F)cc1
CN(CCN1CCCC1)CCc1ccc(OC(F)(F)F)cc1
COC(CN1CCN(Cc2ccccc2)[C@@H](CO)C1)OC |r|
OC[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1 |r|
COC(CN1CCCN(Cc2ccccc2)[C@@H](CO)C1)OC |r|
OC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 |r|
CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
CCCCCCCCN1CCC2(CC1)OC(Cc1sccc21)OC
CCCCCN1CCC2(CC1)OC(Cc1sccc21)OC
[#6]-[#8]-[#6]-1-[#6]-c2sccc2C2([#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]2)[#8]-1
COC1Cc2sccc2C2(CCN(Cc3cccs3)CC2)O1
COC1Cc2sccc2C2(CCN(Cc3ccc(F)cc3)CC2)O1
COC1Cc2sccc2C2(CCN(Cc3ccc(OC)cc3)CC2)O1
COC1Cc2sccc2C2(CCN(CCCCc3ccccc3)CC2)O1
COC1Cc2sccc2C2(CCN(CCCc3ccccc3)CC2)O1
COC1Cc2sccc2C2(CCN(CCC(C)C)CC2)O1
COC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
COC1Cc2sccc2C2(CCN(CCc3ccccc3)CC2)O1
COC1Cc2sccc2C2(CCNCC2)O1
NC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
NC[C@H]1COC[C@@H](O1)c1ccccc1 |r|
CC[C@@]1(COC[C@@H](CN)O1)c1ccccc1 |r|
CC[C@@]1(COC[C@H](CN)O1)c1ccccc1 |r|
NC[C@@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1 |r|
NC[C@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1 |r|
NCC1COCC(O1)(c1ccccc1)c1ccccc1
NCCC1COCC(O1)(c1ccccc1)c1ccccc1
NC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
NC[C@H]1CO[C@@H](CO1)c1ccccc1 |r|
NCC1COC(CO1)(c1ccccc1)c1ccccc1
NCCC1COC(CO1)(c1ccccc1)c1ccccc1
C(NCc1ccccc1)[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
C(NCc1ccccc1)[C@H]1COC[C@@H](O1)c1ccccc1 |r|
CC[C@@]1(COC[C@@H](CNCc2ccccc2)O1)c1ccccc1 |r|
CC[C@@]1(COC[C@H](CNCc2ccccc2)O1)c1ccccc1 |r|
C(NCc1ccccc1)[C@@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1 |r|
C(NCc1ccccc1)[C@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1 |r|
C(NCc1ccccc1)C1COCC(O1)(c1ccccc1)c1ccccc1
C(CC1COCC(O1)(c1ccccc1)c1ccccc1)NCc1ccccc1
C(NCc1ccccc1)[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
C(NCc1ccccc1)[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
C(NCc1ccccc1)C1COC(CO1)(c1ccccc1)c1ccccc1
C(CC1COC(CO1)(c1ccccc1)c1ccccc1)NCc1ccccc1
C(NCc1ccccc1)[C@@H]1CCO[C@@H](O1)c1ccccc1 |r|
C(NCc1ccccc1)C1CCOC(O1)(c1ccccc1)c1ccccc1
COc1ccc(CN2C[C@H]3CCC(OC)(OC)[C@@H]2CN3CC=C)cc1 |r,TLB:6:7:19.18:10.11.12,THB:20:19:8.7:10.11.12|
COc1ccc(CN2C[C@@H]3CCC(=O)[C@H]2CN3CC=C)cc1 |r,TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12|
COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2CN3CC=C)cc1 |r,TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12|
COc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]2CN3CC=C)cc1 |r,TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12|
COc1ccc(CN2C[C@H]3CC[C@H](O)[C@@H]2CN3CC=C)cc1 |r,TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12|
COc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]2CN3CC=C)c(OC)c1 |r,TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12|
COc1ccc(CN2C[C@H]3CC[C@H](O)[C@@H]2CN3CC=C)c(OC)c1 |r,TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12|
CO[C@@H]1CC[C@H]2CN(Cc3ccc(OC)cc3)[C@@H]1CN2CC=C |r,TLB:1:2:19.18:6.7,20:19:6.7:4.3.2,8:7:19.18:4.3.2|
CO[C@H]1CC[C@@H]2CN(Cc3ccc(OC)cc3)[C@H]1CN2CC=C |r,TLB:1:2:19.18:6.7,20:19:6.7:4.3.2,8:7:19.18:4.3.2|
COc1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]2CN3CC=C)cc1 |r,TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12|
COc1ccc(CN2C[C@H]3CC[C@@H](O)[C@@H]2CN3CC=C)cc1 |r,TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12|
CO[C@H]1CC[C@H]2CN(Cc3ccc(OC)cc3)[C@@H]1CN2CC=C |r,TLB:1:2:19.18:6.7,20:19:6.7:4.3.2,8:7:19.18:4.3.2|
CO[C@@H]1CC[C@@H]2CN(Cc3ccc(OC)cc3)[C@H]1CN2CC=C |r,TLB:1:2:19.18:6.7,20:19:6.7:4.3.2,8:7:19.18:4.3.2|
CO[C@H]1CC[C@H]2CN(Cc3ccc(OC)cc3OC)[C@@H]1CN2CC=C |r,TLB:1:2:21.20:6.7,22:21:6.7:4.3.2,8:7:21.20:4.3.2|
CO[C@@H]1CC[C@@H]2CN(Cc3ccc(OC)cc3OC)[C@H]1CN2CC=C |r,TLB:1:2:21.20:6.7,22:21:6.7:4.3.2,8:7:21.20:4.3.2|
COc1ccc(CN2C[C@@H]3CCC[C@H]2CN3CC=C)cc1 |r,TLB:6:7:15.14:10.11.12,THB:16:15:8.7:10.11.12|
COc1ccc(CN2C[C@H]3CCC[C@@H]2CN3CC=C)cc1 |r,TLB:6:7:15.14:10.11.12,THB:16:15:8.7:10.11.12|
COc1ccc(CN2C[C@@H]3CCC[C@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:15.14:10.11.12,THB:16:15:8.7:10.11.12|
COc1ccc(CN2C[C@H]3CCC[C@@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:15.14:10.11.12,THB:16:15:8.7:10.11.12|
COc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]2CN3Cc2ccccc2)cc1 |r,TLB:6:7:16.15:10.11.12,13:12:16.15:8.7,THB:17:16:8.7:10.11.12|
CO[C@@H]1CC[C@H]2CN(Cc3ccc(OC)cc3)[C@@H]1CN2Cc1ccccc1 |r,TLB:8:7:19.18:4.3.2,1:2:19.18:6.7,20:19:6.7:4.3.2|
COc1ccc(CN2C[C@@H]3CCC(OC)(OC)[C@H]2CN3CC=C)cc1 |r,TLB:6:7:19.18:10.11.12,THB:20:19:8.7:10.11.12|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCF |TLB:12:13:21:16.17.18|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CC=C |TLB:12:13:21:16.17.18|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccncc1 |TLB:12:13:21:16.17.18|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1cccnc1 |TLB:12:13:21:16.17.18|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(F)nc1 |TLB:12:13:21:16.17.18|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(SC)cc1 |TLB:12:13:21:16.17.18|
COc1ccc(CN2C3CCCC2CC(C3)OC(=O)Nc2cc(C)ccc2OC)cc1 |THB:16:14:7:9.10.11|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(CCF)cc1 |TLB:12:13:21:16.17.18|
COc1ccc(CCN2C3CCCC2CC(C3)OC(=O)Nc2cc(C)ccc2OC)cc1 |THB:17:15:8:10.11.12|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCc1ccc(CCF)cc1 |TLB:12:13:21:16.17.18|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCc1ccc(cc1)N(C)C |TLB:12:13:21:16.17.18|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccccc1 |TLB:12:13:21:16.17.18|
COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OO)c(OO)cc2C1
COc1ccc(CN2CC3CCC(=O)C2CN3CC=C)cc1 |TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12|
COc1ccc(CN2CC3CCC(=O)C2CN3Cc2ccccc2)cc1 |TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12|
COc1ccc(CN2CC3CC[C@H](O)C2CN3CC=C)cc1 |r,TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12|
COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1 |r|
COc1ccc(CN2C[C@@H]3CC[C@@H](OCc4ccccc4)[C@H]2CN3CC=C)cc1 |r,TLB:13:12:23.22:8.7,6:7:23.22:10.11.12,THB:24:23:8.7:10.11.12|
COc1ccc(CN2C[C@H]3CC[C@H](OCc4ccccc4)[C@@H]2CN3CC=C)cc1 |r,TLB:13:12:23.22:8.7,6:7:23.22:10.11.12,THB:24:23:8.7:10.11.12|
COc1ccc(CN2C[C@@H]3CC[C@H](OCc4ccccc4)[C@H]2CN3CC=C)cc1 |r,TLB:13:12:23.22:8.7,6:7:23.22:10.11.12,THB:24:23:8.7:10.11.12|
COc1ccc(CN2C[C@H]3CC[C@@H](OCc4ccccc4)[C@@H]2CN3CC=C)cc1 |r,TLB:13:12:23.22:8.7,6:7:23.22:10.11.12,THB:24:23:8.7:10.11.12|
COc1ccc(CN2C[C@@H]3CC[C@@H](Oc4ccccc4)[C@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:22.21:10.11.12,13:12:22.21:8.7,THB:23:22:8.7:10.11.12|
COc1ccc(CN2C[C@@H]3CC[C@H](Oc4ccccc4)[C@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:22.21:10.11.12,13:12:22.21:8.7,THB:23:22:8.7:10.11.12|
COc1ccc(CN2C[C@H]3CC[C@@H](Oc4ccccc4)[C@@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:22.21:10.11.12,13:12:22.21:8.7,THB:23:22:8.7:10.11.12|
COc1ccc(CN2C[C@@H]3CC\C(=C\c4ccccc4)[C@H]2CN3CC=C)cc1 |r,TLB:13:12:22.21:8.7,6:7:22.21:12.10.11,THB:23:22:12.10.11:8.7|
COc1ccc(CN2C[C@H]3CC\C(=C\c4ccccc4)[C@@H]2CN3CC=C)cc1 |r,TLB:13:12:22.21:8.7,6:7:22.21:12.10.11,THB:23:22:12.10.11:8.7|
COc1ccc(CN2C[C@@H]3CC\C(=C\c4ccccc4)[C@H]2CN3CC=C)c(OC)c1 |r,TLB:13:12:22.21:8.7,6:7:22.21:12.10.11,THB:23:22:12.10.11:8.7|
COc1ccc(CN2C[C@H]3CC\C(=C\c4ccccc4)[C@@H]2CN3CC=C)c(OC)c1 |r,TLB:13:12:22.21:8.7,6:7:22.21:12.10.11,THB:23:22:12.10.11:8.7|
COc1ccc(CN2C[C@@H]3Cc4c([nH]c5ccc(OC)cc45)[C@H]2CN3CC=C)cc1 |r,TLB:13:12:24.23:8.7,21:11:24.23:8.7,6:7:24.23:10.11.12,THB:25:24:8.7:10.11.12|
COc1ccc(CN2C[C@@H]3Cc4c([nH]c5ccc(OC)cc45)[C@H]2CN3CC=C)c(OC)c1 |r,TLB:13:12:24.23:8.7,21:11:24.23:8.7,6:7:24.23:10.11.12,THB:25:24:8.7:10.11.12|
COc1ccc(CN2C[C@@H]3Cc4c(C)c5ccccc5nc4[C@H]2CN3CC=C)cc1 |r,TLB:20:21:24.23:8.7,12:11:24.23:8.7,6:7:24.23:10.11.21,THB:25:24:8.7:10.11.21|
COc1ccc(CN2C[C@@H]3Cc4c(C)c5ccccc5nc4[C@H]2CN3CC=C)c(OC)c1 |r,TLB:20:21:24.23:8.7,12:11:24.23:8.7,6:7:24.23:10.11.21,THB:25:24:8.7:10.11.21|
COc1ccc(CN2C[C@H]3Cc4c(C)c5ccccc5nc4[C@@H]2CN3CC=C)c(OC)c1 |r,TLB:20:21:24.23:8.7,12:11:24.23:8.7,6:7:24.23:10.11.21,THB:25:24:8.7:10.11.21|
C=CCN(CCc1c[nH]c2ccccc12)CC=C
Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
OC1CN(CCCCc2ccccc2)CCc2ccccc12
OC1CN(CCCc2ccccc2)CCc2ccccc12
OC1CN(Cc2ccccc2)CCc2ccccc12
OC1CN(CCCCc2ccccc2)CCc2cc(O)ccc12
COC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12
OC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12
Fc1ccc(CN2CCC3(CC2)OC(=O)c2ccccc32)cc1
Fc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
Fc1ccc(CN2CCC3(CC2)OC(C#N)c2ccccc32)cc1
Fc1ccc(CN2CCC3(CC2)OC(CC=C)c2ccccc32)cc1
CC(Nc1ccc(Br)cc1C)=Nc1ccc(Br)cc1C |w:11.12|
CC(NC12CC3CC(CC(C3)C1)C2)=NC12CC3CC(CC(C3)C1)C2 |w:13.16,TLB:17:18:22:16.15.21,10:9:12:5.4.6,10:5:12:9.11.8,23:14:21:18.17.19,THB:17:16:22:18.23.19,8:9:4:7.12.6,8:7:4:9.11.10,23:18:14.22.15:21,TEB:13:14:21:18.17.19,13:14:16.17.21:19|
CC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1C |w:13.16,TLB:2:3:10:7.6.8,2:3:5.6.10:8,12:3:10:7.6.8,THB:4:3:5.6.10:8,4:5:3.12.11:8,12:7:3.4.11:10|
CC(NC1CCCCC1)=NC12CC3CC(CC(C3)C1)C2 |w:9.10,TLB:13:14:18:12.11.17,THB:11:10:12.13.17:15,11:12:10.19.18:15,13:12:18:14.19.15,TEB:9:10:17:14.13.15,9:10:12.13.17:15|
CC(NC1CCCCC1)=Nc1ccccc1C |w:9.10|
CC(Nc1ccccc1C)=Nc1ccccc1C |w:10.11|
CC(NC1CC2CCC1C2)=Nc1ccccc1C |w:10.12,THB:2:3:9:7.6|
CN(C)CCC1(OC=CC1=O)c1ccccc1 |c:7|
O=C1C=C(OC11CN2CCC1CC2)c1ccccc1 |c:2,(1.96,-1.76,;1.53,-.61,;2.38,.69,;1.43,1.89,;,1.38,;.02,-.18,;.02,-1.76,;-1.35,-2.55,;-2.74,-1.76,;-2.73,-.18,;-1.35,.59,;-2.15,-.49,;-.72,-1.43,;1.85,3.37,;.7,4.4,;1.02,5.9,;2.49,6.38,;3.63,5.35,;3.31,3.84,)|
COc1ccc(cc1)C1=COC2(CCN(CCc3ccccc3)CC2)C1=O |t:9|
CCN(CC)CCC1(C)OC=C(C1=O)c1ccccc1 |c:10|
O=C1C=C(OC11CCN(Cc2ccccc2)CC1)c1ccccc1 |c:2|
O=C1C=C(OC11CCCN(Cc2ccccc2)C1)c1ccccc1 |c:2|
Fc1ccc(cc1)C1COC2(CCN(Cc3ccccc3)CC2)C1=O
Fc1ccc(cc1)C1=COC2(CCN(Cc3ccccc3)CC2)C1=O |t:8|
C=CCN1CCC2(CC1)OC=C(C2=O)c1ccccc1 |c:11|
O=C1C(=COC11CCN(CC#C)CC1)c1ccccc1 |c:2|
O=C1C(=COC11CCN(CCc2ccccc2)CC1)c1ccccc1 |c:2|
CN1CCC2(CC1)OC(C)(CC2=O)c1ccccc1
O=C1C=C(OC11CCNCC1)c1ccccc1 |c:2|
Fc1ccc(cc1)C1=CC(=O)C2(CCN(CCc3ccccc3)CC2)O1 |t:8|
O=C1C(=COC11CCCN(Cc2ccccc2)C1)c1ccccc1 |c:2|
CN1C2CCC1CC1(C2)OC=C(C1=O)c1ccccc1 |c:12|
Cc1cc(CN2CCC3(CC2)OC=C(C3=O)c2ccccc2)on1 |c:13|
O=C1C=C(OC11CCN(CCc2ccccc2)CC1)c1ccccc1 |c:2|
CN1CCC2(CC1)OC=C(C2=O)c1ccccc1 |c:9|
O=C1C(=COC11CCN(Cc2ccccc2)CC1)c1ccccc1 |c:2|
CN1CCC2(CC1)OC=C(C2=O)c1ccc(F)cc1 |c:9|
O=C1C(=COC11CCN(Cc2ccccc2)C1)c1ccccc1 |c:2|
Fc1ccc(cc1)C1=COC2(CCN(CCc3ccccc3)CC2)C1=O |t:8|
CCN(CC)CCCC1(C)OC=C(C1=O)c1ccccc1 |c:11|
Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)OC=C(C2=O)c1ccccc1 |c:21|
O=C1C(=COC11CCN(CC2CCCCC2)CC1)c1ccccc1 |c:2|
O=C1C(=COC11CCCNC1)c1ccccc1 |c:2|
Fc1ccc(cc1)C1=COC2(CCN(CC3CCCCC3)CC2)C1=O |t:8|
Fc1ccc(CN2CCC3(CC2)OC=C(C3=O)c2ccccc2)cc1 |c:14|
O=C1C(=COC11CCN(CCc2ccsc2)CC1)c1ccccc1 |c:2|
O=C1C(=COC11CCN(CCc2ccccc2)CC1)c1ccc2ccccc2c1 |c:2|
COc1ccc(cc1)C1=CC(=O)C2(CCN(CCc3ccccc3)CC2)O1 |t:9|
Clc1cccc(CN2CCC3(CC2)OC=C(C3=O)c2ccccc2)c1 |c:15|
O=C1C(=COC11CCNCC1)c1ccccc1 |c:2|
CN(C)CCC1(OC=C(C1=O)c1ccccc1)c1ccccc1 |c:7|
CN1CCC2(CC1)OC(=CC2=O)c1ccccc1 |c:9|
O=C1C=C(OC11CCCNC1)c1ccccc1 |c:2|
CN(C)CC1(C)OC=C(C1=O)c1ccccc1 |c:7|
CCN(CC)CCC1(C)OC(=CC1=O)c1ccccc1 |c:10|
Fc1ccc(CN2CCC3(CC2)OC=C(C3=O)c2ccc(F)cc2)cc1 |c:14|
O=C1C(=COC11CCN(Cc2ccco2)CC1)c1ccccc1 |c:2|
Fc1ccc(cc1)C(=O)CCCN1CCCC2(C1)OC(=CC2=O)c1ccccc1 |c:21|
O=C1CC2(CCN(CCc3ccccc3)CC2)OC(=C1)c1ccco1 |c:20|
CN1CCC2(CC1)CC(=O)C(=CO2)c1ccccc1 |c:11|
Fc1ccc(cc1)C1COC2(CCN(CCc3ccccc3)CC2)CC1=O
CN1C2CCC1CC1(C2)CC(=O)C(=CO1)c1ccccc1 |c:14|
Fc1ccc(cc1)C1=COC2(CCN(CCc3ccccc3)CC2)CC1=O |t:8|
O=C1CC2(CCCN(Cc3ccccc3)C2)OC=C1c1ccccc1 |c:19|
O=C1CC2(CCN(CCc3ccccc3)CC2)OC(=C1)c1ccccc1 |c:20|
CN(C)CC1(C)CC(=O)C(=CO1)c1ccccc1 |c:9|
CCN(CC)CCCC1(C)CC(=O)C(=CO1)c1ccccc1 |c:13|
COc1ccc(cc1)C1=COC2(CCN(CCc3ccccc3)CC2)CC1=O |t:9|
Fc1ccccc1C1=COC2(CCN(CCc3ccccc3)CC2)CC1=O |t:8|
Fc1ccc(cc1)C1=COC2(CCCN(Cc3ccccc3)C2)CC1=O |t:8|
CN1CCC2(CC1)CC(=O)C(=CO2)c1ccc(F)cc1 |c:11|
O=C1CC2(CN3CCC2CC3)OC=C1c1ccccc1 |c:14,THB:11:3:7.6:9.10,(3.91,-.94,;2.84,-.32,;1.47,-1.11,;.09,-.32,;.09,-1.83,;-1.2,-1.07,;-2.51,-1.83,;-2.51,-.32,;-1.2,.42,;-1.57,1.89,;-2.33,.57,;.09,1.26,;1.47,2.05,;2.84,1.26,;4.18,2.03,;5.51,1.26,;6.84,2.03,;6.85,3.57,;5.51,4.34,;4.18,3.57,)|
O=C1CC2(CCN(Cc3ccccc3)CC2)OC=C1c1ccccc1 |c:19|
O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1ccccc1 |c:20|
O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1cccs1 |c:20|
Fc1ccc(cc1)C1=CCN(CCCCc2ccncc2)CC1 |t:8|
C(CCc1ccncc1)CN1CCC(=CC1)c1ccccc1 |c:14|
C(CCc1ccncc1)CN1CCC(=CC1)c1ccc2ccccc2c1 |c:14|
Clc1ccc(cc1)C1=CCN(CCCCc2ccncc2)CC1 |t:8|
C(CCc1ccncc1)CN1CCC(=CC1)c1ccccn1 |c:14|
COc1ccc(cc1)C1=CCN(CCCCc2ccncc2)CC1 |t:9|
C(CCc1ccncc1)CN1CCC(=CC1)c1cccs1 |c:14|
C(CCc1ccncc1)CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:14|
Cc1ccc(cc1)C1=CCN(CCCCc2ccncc2)CC1 |t:8|
COc1ccc2C(CCCCN3CCC(C)CC3)CCCc2c1
COc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1
COc1cccc2C(CCC(=O)N3CCN(CC3)C3CCCCC3)CCCc12
CC1CCN(CCCCC2CCCc3cc(OCCCCCCN4C(=O)c5ccc(cc5C4=O)N(C)C)ccc23)CC1
CC1CCN(CCCCc2cccc3cc(OCCCCCCN4C(=O)c5ccc(cc5C4=O)N(C)C)ccc23)CC1
CN(C)c1ccc2C(=O)N(CCCCCCOc3ccc4C(CCC(=O)N5CCN(CC5)C5CCCCC5)CCCc4c3)C(=O)c2c1
COc1cccc2C(=O)N(CCCN3CCc4cc(OC)c(OC)cc4C3)CCc12
NC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1
Fc1cnc(nc1)N1CCN(CCCCc2ccc(F)c3ccccc23)CC1
OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)c2ccccc12
Fc1ccc(CCCCN2CCN(CC2)c2ncc(F)cn2)cc1
CC(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
NC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)c2ccccc12
Fc1ccc(cc1)S(=O)(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1
OC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1
Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)NC(=O)c1ccc(F)cc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)NS(=O)(=O)c1ccc(F)cc1
Fc1ccc(cc1)S(=O)(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)c2ccccc12
Fc1ccc(cc1)C(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1
CC(=O)OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ncc(F)cn2)cc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)OC(=O)c1ccccc1
Fc1ccc(SCCCN2CCN(CC2)c2ncc(F)cn2)cc1
Fc1ccc(cc1)S(=O)(=O)CCCN1CCN(CC1)c1ncc(F)cn1
O=C1NC(C(=O)N1CCCN1CCC(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
O=C1NC(C(=O)N1CCCCN1CCN(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
O=C1NC(C(=O)N1CCCCCN1CCN(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
C(Cc1ccccc1)N1CCC(CC1)OCC#Cc1ccccc1
FC(F)(F)c1ccc(\C=C\COCC2CCN(Cc3ccccc3)CC2)cc1
[#6](-[#8]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6]-1)\[#6]=[#6](/c1ccccc1)-c1ccccc1
C\C=C\CN1CCC(COC\C=C\c2ccccc2)CC1
Fc1ccc(\C=C\COCC2CCN(Cc3ccccc3)CC2)cc1
C(OCC1CCN(CCc2ccccc2)CC1)\C=C\c1ccccc1
C(CN1CCC(COC\C=C\c2ccccc2)CC1)Cc1ccccc1
C(OCC1CCN(Cc2ccccc2)CC1)\C=C\c1ccccc1
C(CC1CCN(CC2CC2)CC1)OCC#Cc1ccccc1
C(CC1CCN(CCc2ccccc2)CC1)OCC#Cc1ccccc1
C(O\C=C\C=C\c1ccccc1)C1CCN(Cc2ccccc2)CC1
Fc1ccc(CCN2CCC(CCOCC#Cc3ccccc3)CC2)cc1
C(OCC1CCN(Cc2ccccc2)CC1)C#Cc1ccccc1
C(OCC1CCN(CC2CC2)CC1)\C=C\c1ccccc1
C(COCC1CCN(Cc2ccccc2)CC1)Cc1ccccc1
C(OCC1CCN(Cc2cccc3ccccc23)CC1)\C=C\c1ccccc1
C(OCC1CCN(Cc2ccccc2)CC1)\C=C/c1ccccc1
Fc1ccc(cc1)C#CCOCCC1CCN(CCc2ccccc2)CC1
O=C(NC1CCN(Cc2ccccc2)CC1)\C=C\c1ccccc1
O=C(\C=C\c1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
C(\C=C\c1ccccc1)N(C\C=C\c1ccccc1)C1CCN(Cc2ccccc2)CC1
CN(C1CCN(Cc2ccccc2)CC1)C(=O)C#Cc1ccccc1
O=C(C#Cc1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
C(NC1CCN(Cc2ccccc2)CC1)\C=C\c1ccccc1
C(C#Cc1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
CN(CC#Cc1ccccc1)C1CCN(Cc2ccccc2)CC1
CN(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
CN(C\C=C\c1ccccc1)C1CCN(Cc2ccccc2)CC1
C(\C=C\c1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
O=C(NC1CCN(Cc2ccccc2)CC1)C#Cc1ccccc1
C(NC1CCN(Cc2ccccc2)CC1)C#Cc1ccccc1
C(C1CCC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
C(C1CSC(S1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
C(C1CSC(S1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
C(C1COC(S1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
C(C1COC(S1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
C(C1COC(O1)(C1CCCCC1)C1CCCCC1)N1CCN(Cc2ccccc2)CC1
C(C1COC(O1)(C1CCCCC1)C1CCCCC1)N1CCC(Cc2ccccc2)CC1
C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 |r|
C([C@@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
C([C@@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 |r|
C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
C(C1COc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
C(C1CCC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
O=C1C(CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
O=C1C(CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
O[C@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
O[C@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
O[C@@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
O[C@@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
OCC(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
OCC(CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
C(C1COC2(CCCCC2)O1)N1CCC(Cc2ccccc2)CC1
C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC
COc1cc2CCN3Cc4c(CC3c2cc1O)ccc(O)c4OC
COc1cc2CCN3Cc4c(CC3c2cc1O)ccc(OCC1CC1)c4OC
COc1cc2CCN3Cc4c(CC3c2cc1O)ccc(OCCCO)c4OC
CCCCCCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC
CCCCCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC
CCCCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC
CCCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC
CCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC
COc1cc2CCN(Cc3cccc(O)c3OC)C(C)c2cc1O
COc1cc(CCN(C)Cc2cccc(O)c2OC)ccc1O
CCN(CCc1ccc(O)c(OC)c1)Cc1cccc(O)c1OC
C(N1CCCC(C1)\C=C\c1ccccc1)c1ccccc1
C(CN1CCCC(C1)\C=C/c1ccccc1)Cc1ccccc1
C1CCC(CC1)N1CCCC(C1)\C=C/c1ccccc1
C(COc1ccccc1)CN1CCCC(C1)\C=C/c1ccccc1
C(CSc1nc2ccccc2s1)CN1CCCC(C1)\C=C/c1ccccc1
O=C(CCCN1CCCC(C1)\C=C/c1ccccc1)c1ccccc1
C(Cc1ccccc1)N1CCCC(C1)\C=C\c1ccccc1
C(COc1ccccc1)CN1CCCC(C1)\C=C\c1ccccc1
C1CNCC(C1)\C=C\c1ccccc1
C1CCC(CC1)N1CCCC(C1)\C=C\c1ccccc1
[#6]\[#6](-[#6])=[#6]/[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#6]-1)\[#6]=[#6]/c1ccccc1
C1CNCC(C1)\C=C/c1ccccc1
C(Cc1ccccc1)N1CCCC(C1)\C=C/c1ccccc1
C(CCc1ccccc1)CN1CCCC(C1)\C=C/c1ccccc1
C(CN1CCCC(C1)\C=C/c1ccccc1)C1CCCCC1
C=CCN1CCCC(C1)\C=C\c1ccccc1
C=CCCCN1CCCC(C1)\C=C\c1ccccc1
C(CN1CCCC(C1)\C=C\c1ccccc1)Cc1ccccc1
O=C(CN1CCCC(C1)\C=C/c1ccccc1)Nc1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#6]-1)\[#6]=[#6]\c1ccccc1
O=C1N(CCCCN2CCCC(C2)\C=C\c2ccccc2)S(=O)(=O)c2ccccc12
O=C(NCCCCN1CCCC(C1)\C=C/c1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
CC1(C)C2CC[C@]1(C)CN(CCC1C3CC4CC(C3)CC1C4)C2 |wD:6.7,TLB:11:12:14:17.18.16,THB:16:15:12:17.18.19,16:17:12:15.14.21,10:9:1:5.4,11:12:15.14.21:17.18.19,19:20:14:17.18.16,19:17:14:20.12.21,(-7.25,2.8,;-5.75,2.79,;-6.14,4.25,;-4.39,2.21,;-4,.76,;-4.93,-.34,;-4.93,1.16,;-6.43,1.16,;-2.69,2.13,;-1.35,1.44,;-.27,.4,;1.17,.82,;2.25,-.23,;2.88,-1.98,;2.25,-3.46,;3.36,-4.49,;5,-4.47,;5.66,-2.93,;4.41,-2.03,;5.18,-1.24,;3.56,-1.24,;2.87,-2.78,;-2.32,3.17,)|
CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCC1)C2 |THB:10:9:1:5.4|
CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCCC1)C2 |THB:10:9:1:5.4|
CC1(C)C2CC[C@]1(C)CN(CCC1CCCCC1)C2 |THB:10:9:1:5.4|
CC1(C)C2CC[C@@]1(C)CN(CCC1CCCCC1)C2 |THB:10:9:1:5.4|
CC1(C)C2CC[C@]1(C)CN(CCC1CCCC1)C2 |THB:10:9:1:5.4|
CC1(C)C2CC[C@]1(C)CN(C2)C1CCCCC1 |THB:11:9:1:5.4|
CC1(C)C2CC[C@@]1(C)CN(CC1CCCCC1)C2 |THB:10:9:1:5.4|
CC1(C)C2CC[C@]1(C)CN(CCCCC1CCCCC1)C2 |THB:10:9:1:5.4|
CC1(C)C2CC[C@]1(C)CN(CC1CCCCC1)C2 |THB:10:9:1:5.4|
CC1(C)C2CC[C@]1(C)CN(CCCC1CCCCC1)C2 |THB:10:9:1:5.4|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3|
C(COc1nc(nc2CCCCc12)-c1ccccc1)CN1CCOCC1
O=C1CCN(CCCOc2nc(nc3CCCCc23)-c2ccccc2)CC1
CN(C)CCCOc1nc(nc2CCCCc12)-c1ccccc1
CCN(CC)CCCOc1nc(nc2CCCCc12)-c1ccccc1
CC1CCN(CCCCOc2nc(nc3CCCCc23)-c2ccccc2)CC1
CC1CCN(CCCCCOc2nc(nc3CCCCc23)-c2ccccc2)CC1
CC1CCN(CCCCCCOc2nc(nc3CCCCc23)-c2ccccc2)CC1
CC1CCN(CCCOc2nc(nc3CCCCc23)-c2ccc(C)cc2)CC1
CC1CCN(CCCOc2nc(nc3CCCCc23)-c2ccc(cc2)C(F)(F)F)CC1
CC1CCN(CCCOc2nc(nc3CCCCc23)-c2ccc(Cl)cc2)CC1
CC1CCN(CCCOc2nc(nc3CCCc23)-c2ccc(Cl)cc2)CC1
CC1CCN(CCCOc2nc(nc3CCCc23)-c2ccccc2)CC1
CN1CCN(CCCOc2nc(nc3CCCc23)-c2ccccc2)CC1
C(COc1nc(nc2CCCc12)-c1ccccc1)CN1CCN(CC1)c1ccccc1
C(COc1nc(nc2CCCc12)-c1ccccc1)CN1CCOCC1
O=C1CCN(CCCOc2nc(nc3CCCc23)-c2ccccc2)CC1
CN(C)CCCOc1nc(nc2CCCc12)-c1ccccc1
CCN(CC)CCCOc1nc(nc2CCCc12)-c1ccccc1
CC1CCN(CCCOc2nc(nc3CCCCc23)-c2ccccc2)CC1
CN1CCN(CCCOc2nc(nc3CCCCc23)-c2ccccc2)CC1
C(COc1nc(nc2CCCCc12)-c1ccccc1)CN1CCN(CC1)c1ccccc1
Cn1c2cc3CCCC(Cc3cc2n(C)c1=O)NCCCc1ccccc1
O=c1ccc(OCCCN2CCOCC2)nn1-c1ccccc1
O=c1ccc(OCCCN2CCCCC2)nn1-c1ccccc1
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCCCC2)c2ccccc2c1=O
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCCCC2)c2CCCCc2c1=O
Cc1c(C)c(=O)n(nc1OCCCN1CCCCC1)-c1ccc(Cl)c(Cl)c1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(F)c(F)c2)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(F)c(Cl)c2)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2cc(Cl)ccc2Cl)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)cc2Cl)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2cc(Cl)cc(Cl)c2)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2cccc(Cl)c2Cl)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)cc2)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(F)cc2)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc3ccccc3c2)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(C)cc2)CC1
O=c1ccc(OCCCN2CCCCC2)nn1C1CCCC1
Fc1ccc(cc1F)-n1nc(OCCCN2CCCCC2)ccc1=O
Fc1ccc(cc1Cl)-n1nc(OCCCN2CCCCC2)ccc1=O
Clc1ccc(Cl)c(c1)-n1nc(OCCCN2CCCCC2)ccc1=O
Clc1ccc(c(Cl)c1)-n1nc(OCCCN2CCCCC2)ccc1=O
Clc1cc(Cl)cc(c1)-n1nc(OCCCN2CCCCC2)ccc1=O
Clc1cccc(c1Cl)-n1nc(OCCCN2CCCCC2)ccc1=O
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCCCC2)ccc1=O
Clc1ccc(cc1)-n1nc(OCCCN2CCCCC2)ccc1=O
Fc1ccc(cc1)-n1nc(OCCCN2CCCCC2)ccc1=O
O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc2ccccc2c1
Cc1ccc(cc1)-n1nc(OCCCN2CCCCC2)ccc1=O
CC1CC(C)CN(CCCCOc2ccc(=O)n(n2)-c2ccccc2)C1
CC1CCN(CCCCOc2ccc(=O)n(n2)-c2ccccc2)CC1
O=c1ccc(OCCCCN2CCCCC2)nn1-c1ccccc1
O=c1ccc(OCCN2CCCCC2)nn1-c1ccccc1
CC(C)N(CCCOc1ccc(=O)n(n1)-c1ccccc1)C(C)C
CCN(CC)CCCOc1ccc(=O)n(n1)-c1ccccc1
CN(C)CCCOc1ccc(=O)n(n1)-c1ccccc1
O=c1ccc(OCCCN2CCCC2)nn1-c1ccccc1
CN1CCCN(CCCOc2ccc(=O)n(n2)-c2ccccc2)CC1
CCN1CCN(CCCOc2ccc(=O)n(n2)-c2ccccc2)CC1
CN1CCN(CCCOc2ccc(=O)n(n2)-c2ccccc2)CC1
O=C1CCN(CCCOc2ccc(=O)n(n2)-c2ccccc2)CC1
CC1CC(C)CN(CCCOc2ccc(=O)n(n2)-c2ccccc2)C1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccccc2)CC1
C(N1CCC2(CC1)Nc1ccccc1N=N2)c1ccccc1 |c:16|
COc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCC(CC1)C(C)(C)C |(8.02,4.22,;8.01,2.98,;6.67,2.23,;6.65,.69,;5.31,-.07,;3.98,.72,;4,2.26,;5.34,3.01,;2.64,-.04,;2.62,-1.27,;1.31,.75,;1.31,2.33,;,3.08,;0,4.32,;-1.33,2.33,;-2.66,3.11,;-4.01,2.36,;-5.33,3.14,;-5.31,4.68,;-3.97,5.44,;-2.65,4.65,;-1.33,.75,;-2.4,.13,;;-1.33,-.77,;-1.33,-2.31,;,-3.1,;1.31,-2.31,;1.31,-.77,;.01,-4.64,;-1.05,-5.27,;1.08,-5.25,;.02,-5.88,)|
CC(C)(C)C1CCC2(CC1)N(CC(=O)N(C1CCCCC1)C2=O)C(=O)c1ccccc1 |(-1.05,-5.27,;.01,-4.64,;1.08,-5.25,;.02,-5.88,;,-3.1,;-1.33,-2.31,;-1.33,-.77,;;1.31,-.77,;1.31,-2.31,;1.31,.75,;1.31,2.33,;,3.08,;0,4.32,;-1.33,2.33,;-2.66,3.11,;-4.01,2.36,;-5.33,3.14,;-5.31,4.68,;-3.97,5.44,;-2.65,4.65,;-1.33,.75,;-2.4,.13,;2.64,-.04,;2.62,-1.27,;3.98,.72,;5.31,-.07,;6.65,.69,;6.67,2.23,;5.34,3.01,;4,2.26,)|
COc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C22CCCCC2)c(OC)c1
COc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCCCC1
Cc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCCCC1
O=C(N1CC(=O)N(C2CCCCC2)C(=O)C11CCCCC1)c1ccccc1
COc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCCC1
Cc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCCC1
O=C(N1CC(=O)N(C2CCCCC2)C(=O)C11CCCC1)c1ccccc1
COc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCN(Cc2ccccc2)CC1
Cc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCN(Cc2ccccc2)CC1
O=C(N1CC(=O)N(C2CCCCC2)C(=O)C11CCN(Cc2ccccc2)CC1)c1ccccc1
[H][C@]12CN(CC3CCCCC3)[C@]([H])(CN1Cc1ccccc1)[C@H](O)CC2 |r,TLB:15:14:3.2:22.25.24,23:22:3.2:13.14,4:3:13.14:22.25.24|
[H][C@]12CN(CC3CCCCC3)[C@]([H])(CN1Cc1ccccc1)[C@@H](O)CC2 |r,TLB:15:14:3.2:22.25.24,23:22:3.2:13.14,4:3:13.14:22.25.24|
[H][C@]12C[C@H](O)[C@]([H])(CN1Cc1ccc(cc1)-c1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:22.30:7.8|
[H][C@]12C[C@@H](O)[C@]([H])(CN1Cc1ccc(cc1)-c1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:22.30:7.8|
[H][C@@]12C[C@@H](O)[C@@]([H])(CN1Cc1ccc(cc1)-c1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:22.30:7.8|
[H][C@@]12C[C@H](O)[C@@]([H])(CN1Cc1ccc(cc1)-c1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:22.30:7.8|
[H][C@]12C[C@H](O)[C@]([H])(CN1Cc1cccc3ccccc13)N(CC1CCCCC1)C2 |r,THB:4:3:20.28:7.8|
[H][C@]12C[C@@H](O)[C@]([H])(CN1Cc1cccc3ccccc13)N(CC1CCCCC1)C2 |r,THB:4:3:20.28:7.8|
[H][C@@]12C[C@@H](O)[C@@]([H])(CN1Cc1cccc3ccccc13)N(CC1CCCCC1)C2 |r,THB:4:3:20.28:7.8|
[H][C@@]12C[C@H](O)[C@@]([H])(CN1Cc1cccc3ccccc13)N(CC1CCCCC1)C2 |r,THB:4:3:20.28:7.8|
[H][C@]12C[C@H](O)[C@]([H])(CN1Cc1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:16.24:7.8|
[H][C@]12C[C@@H](O)[C@]([H])(CN1Cc1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:16.24:7.8|
[H][C@@]12C[C@@H](O)[C@@]([H])(CN1Cc1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:16.24:7.8|
[H][C@@]12C[C@H](O)[C@@]([H])(CN1Cc1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:16.24:7.8|
O[C@@H]1CC[C@@H](C[C@H]1N1CCC(CC1)c1ccccc1)OCc1ccc(F)cc1 |r|
O[C@@H]1C[C@@H](CC[C@H]1N1CCC(CC1)c1ccccc1)OCc1ccc(F)cc1 |r|
O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(CC1)c1ccccc1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(Br)cc1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccccc1 |r|
COC(=O)CC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
CCCCN1CCC2(CC1)OC(CCO)Cc1ccccc21
CCCCCCCCN1CCC2(CC1)OC(CCO)Cc1ccccc21
OCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
OCCC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
COC(=O)C[C@@H]1Cc2ccccc2[C@H](CN2CCCCC2)O1 |r|
COC(=O)C[C@@H]1Cc2ccccc2[C@H](CN2CCC(CC2)c2ccccc2)O1 |r|
COC(=O)C[C@@H]1Cc2ccccc2[C@H](CCN2CCCC2)O1 |r|
COC(=O)C[C@@H]1Cc2ccccc2[C@H](CCN2CCCCC2)O1 |r|
COC(=O)C[C@@H]1Cc2ccccc2[C@H](CCN2CCC(CC2)c2ccccc2)O1 |r|
OCC[C@@H]1Cc2ccccc2[C@H](CCN2CCC(CC2)c2ccccc2)O1 |r|
CN(CCCCN1CCCCC1=O)Cc1ccc(Cl)cc1
CN(CCCCN1C(=O)CSc2ccccc12)Cc1ccc(Cl)cc1
CN(CCCCN1[C@H](COC1=O)c1ccccc1)Cc1ccc(Cl)cc1 |r|
CN(CCCCn1nc(oc1=O)-c1ccccc1)Cc1ccccc1
CN(CCCCn1ccc2ccccc12)Cc1ccccc1
CN(CCCCN1C(=O)C(=O)c2ccccc12)Cc1ccc(Cl)cc1
CN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)cc1
CN(CCCCN1C(=O)CSc2ccccc12)Cc1ccccc1
CN(CCCCN1C(=O)CCc2ccccc12)Cc1ccccc1
CN(CCCCN1[C@@H](COC1=O)c1ccccc1)Cc1ccc(Cl)cc1 |r|
CN(CCCCN1[C@@H](COC1=O)c1ccccc1)Cc1ccccc1 |r|
CN(CCCCN1C(COC1=O)c1ccccc1)Cc1ccccc1
CN(CCCCn1nc(oc1=O)-c1ccccc1)Cc1ccc(Cl)cc1
CN(CCCCN1C(=O)COc2ccccc12)Cc1ccc(Cl)cc1
CN(CCCCN1C(=O)CCc2ccccc12)Cc1ccc(Cl)cc1
CN(CCCCN1C(=O)C(=O)c2ccccc12)Cc1ccccc1
CN(CCCCN1c2ccccc2CCCC1=O)Cc1ccccc1
CN(CCCCn1ccc2ccccc12)Cc1ccc(Cl)cc1
CN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CN(CCCCN1C(=O)COc2ccccc12)Cc1ccccc1
CN(CCCCN1[C@H](COC1=O)c1ccccc1)Cc1ccccc1 |r|
CN(CCCCN1C(COC1=O)c1ccccc1)Cc1ccc(Cl)cc1
CN(CCCCN1CCCCC1=O)Cc1ccccc1
CN(CCCCN1c2ccccc2CCCC1=O)Cc1ccc(Cl)cc1
CNCCN1CCC(CC1)OCc1ccccc1
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r|
CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7|
Fc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(F)cc1
CC(O)CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
COc1ccc(cc1)C(C)CCN1CCC(Cc2ccccc2)CC1
COc1ccc(cc1)C(C)CCN1CCOCC1
COc1cccc(c1)C(C)CCN1CCOCC1
CC(CCN1CCCCC1)c1ccc2ccccc2c1
COc1ccc(cc1)C(C)CCN(C)C
COc1cccc(c1)C(C)CCN(C)C
CC(CCN1CCCCC1)c1ccccc1
CC(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1
COc1ccc(cc1)C(C)CCN1CCCCC1
CC(CCN(C)C)c1ccccc1
COc1cccc(c1)C(C)CCN1CCC(Cc2ccccc2)CC1
COc1cccc(c1)C(C)CCN1CCCCC1
CC(CCN1CCOCC1)c1ccc2ccccc2c1
CC(CCN1CCOCC1)c1ccccc1
CC(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Cc1ccc(cc1)S(=O)(=O)OCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
CCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
OCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
C=CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
FCCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc12
CCCCCCCCN1CCC2(CC1)OC(CCCF)c1ccccc21
CCCCN1CCC2(CC1)OC(CCCF)c1ccccc21
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6](-[#6]-[#6]-[#6]F)-c1ccccc21
CC(N1CCC2(CC1)OC(CCCF)c1ccccc21)c1ccccc1
FCCCC1OC2(CCN(CC2)C(c2ccccc2)c2ccccc2)c2ccccc12
FCCCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12
FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(CC(=O)C1)[C@]23[H] |r|
[H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r|
[H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)[C@H](O)C1)[C@@]23[H] |r|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
[H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cc(Cl)ccc5nc4[C@@H]1CC)[C@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(C)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r|
[H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCCCCCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cccc(OC)c5nc4[C@@H]1CC)[C@]23[H] |r|
[H][C@]12CCN([C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H])S(=O)(=O)c1ccc(C)cc1 |r|
[H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(C(=O)NCc3ccc(Cl)cc3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@]3([H])N(CCC)CC[C@]([H])(CC(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCN(CCC)[C@]3([H])CCC[C@@]([H])([C@@]13[H])[C@]1(CC)C(C2)=Nc2ccccc12 |r,c:24|
Fc1cccc(CCNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:18:19:15.12:10,13:12:19.20:10,14:15:19.20:10,16:20:15.12:10|
Fc1cccc(CNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:17:18:14.11:9,12:11:18.19:9,13:14:18.19:9,15:19:14.11:9|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11|
CC(O)(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1
C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCN |TLB:22:21:16.18.17:20.13.14,THB:12:13:21:16.18.17|
CC(O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1
O[C@@H](CN1C2CCC1CC(C2)c1ccccc1)c1cccc(Br)c1 |THB:11:9:3:5.6|
C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccccc1
CC(CCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1
CC(O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
COc1ccc2cc(ccc2c1)C(C)(O)CCN(C)C
COc1ccc2cc(ccc2c1)C(C)(O)CCN(C)Cc1ccccc1
COc1ccc2cc(ccc2c1)C(C)(O)CCN1CCCCC1
CN(CCC(C)(O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
COc1ccc2cc(ccc2c1)C(\C)=C\CN(C)Cc1ccccc1
COc1ccc2cc(ccc2c1)C(\C)=C\CN1CCCCC1
COc1ccc2cc(ccc2c1)C(C)CCN(C)Cc1ccccc1
COc1ccc2cc(ccc2c1)C(C)CCN1CCCCC1
C(Cc1ccccc1)N1CCN(CC1)c1ccncc1
C(CN1CCN(CC1)c1ccncc1)Cc1ccccc1
C(Cc1ccccc1)N1CCN(CC1)c1cccnc1
C(CN1CCN(CC1)c1cccnc1)Cc1ccccc1
OC1CCNC(C1)C1COC(O1)(c1ccccc1)c1ccccc1
FC1(F)CCNC(C1)C1COC(O1)(c1ccccc1)c1ccccc1
CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r|
CCCNCCc1ccc(cc1)[N+]([O-])=O
CCCCN(CCCC)CCCc1ccc(cc1)[N+]([O-])=O
CCCCN(CCCC)C(=O)CCc1ccc(F)cc1
CCCCCCCCN(CCCCCCCC)C(=O)CCc1ccc(F)cc1
CCCCN(CCCC)CCCc1ccc(F)cc1
CCCCCCCCN(CCCCCCCC)CCCc1ccc(F)cc1
CCCNCCCc1ccc(F)cc1
CCCN(CCCc1ccc(F)cc1)Cc1ccc(N)cc1
CCCN(CCCc1ccc(F)cc1)CCc1ccc(N)cc1
CCCN(CCCc1ccc(F)cc1)Cc1ccc(N)c(I)c1
CCCN(CCCc1ccc(F)cc1)Cc1ccc(N=[N+]=[N-])c(I)c1
CCCN(CCCc1ccc(F)cc1)CCc1ccc(N=[N+]=[N-])c(I)c1
CCCN(CCCc1ccc(cc1)[N+]([O-])=O)CCc1ccc(N)cc1
C(C1CCCCC1)N1CCC2(CC1)OCCc1sccc21
CO[C@H]1Cc2sc(CO)cc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CO[C@H]1Cc2sc(CN(C)C)cc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)C#N |r|
CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)C(=O)c1ccccc1 |r|
CO[C@H]1Cc2sc(Cc3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CCC[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 |r|
CCOC(=O)C[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 |r|
O[C@H]1OC2(CCN(CCc3ccccc3)CC2)c2ccccc12 |r|
CO[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
N#C[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
OCC[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
OCC[C@@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
OCC[C@H]1Cc2ccccc2C2(CCN(CC3CCCCC3)CC2)O1 |r|
OCC[C@@H]1Cc2ccccc2C2(CCN(CC3CCCCC3)CC2)O1 |r|
CC[C@@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
O[C@H]1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1 |r|
CCOC(=O)C[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CO[C@H]1Cc2ccccc2C2(CCN(C)CC2)O1 |r|
CO[C@H]1CCc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CO[C@@H]1Cc2ccccc2[C@@]2(CCCN(Cc3ccccc3)C2)O1 |r|
CO[C@@H]1Cc2ccccc2[C@@]2(CCCN(CCc3ccccc3)C2)O1 |r|
CCCCN1CCC[C@@]2(C1)O[C@@H](Cc1ccccc21)OC |r|
CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1 |r|
CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 |r|
CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r|
CCCN1CCC2(CC1)O[C@H](Cc1c2cnn1-c1ccccc1)OC |r|
CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC2)C(C)C)O1 |r|
C(C1CCCCC1)N1CCC2(CC1)OCCc1c2cnn1-c1ccccc1
CO[C@H]1Cc2c(cnn2C)C2(CCN(Cc3ccccc3)CC2)O1 |r|
CCCN1CCC2(CC1)O[C@H](Cc1c2cnn1C)OC |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6]-[#6]-c1c2cnn1-[#6]
COC(OC)c1cc2c(C[C@H](OC)OC22CCN(Cc3ccccc3)CC2)s1 |r|
CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)[C@H](O)c1ccccc1 |r|
CC(=O)C[C@@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CCOC(=O)C[C@@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
OC[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)C(=O)OC |r|
Cn1ncc2c1CCOC21CCN(CCCc2ccccc2)CC1
C(CN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1)Cc1ccccc1
CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccco3)CC2)O1)-c1ccccc1 |r|
O[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 |r|
OCC[C@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 |r|
OCC[C@@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 |r|
N#CC[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CC(=O)C[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CO[C@H]1Cc2ccccc2C2(CCN(CCCCc3ccccc3)CC2)O1 |r|
CO[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CO[C@H]1Cc2sccc2C2(CCN(CCc3ccccc3)CC2)O1 |r|
CO[C@H]1Cc2sccc2C2(CCN(CCCCc3ccccc3)CC2)O1 |r|
CO[C@H]1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1 |r|
[#6]-[#8]-[#6@H]-1-[#6]-c2sccc2C2([#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]2)[#8]-1 |r|
COC(=O)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CCOC(=O)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
NC[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
C(NCc1ccccc1)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
NC(=O)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CN(C)C[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
COC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1 |r|
COC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1 |r|
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
O[C@H]1Cc2cccc(OCCF)c2C[C@@H]1N1CCC(CC1)c1ccccc1 |r|
O[C@@H]1Cc2cccc(I)c2C[C@H]1N1CCC(CC1)c1ccccc1
Nc1cccc2CC(O)C(Cc12)N1CCC(CC1)c1ccccc1
OC1Cc2cccc(F)c2CC1N1CCC(CC1)c1ccccc1
O[C@H]1Cc2cccc(F)c2C[C@@H]1N1CCC(CC1)c1ccccc1 |r|
O[C@@H]1Cc2cccc(F)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r|
O=C1CCNC(C1)C1COC(O1)(c1ccccc1)c1ccccc1
FC1CCNC(C1)C1COC(O1)(c1ccccc1)c1ccccc1
OC1CN(CCCCc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
OC1CN(CCCOc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
OC1CN(CCCSc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
OC1CN(CCCS(=O)(=O)c2ccccc2)CCc2cc(OCc3ccccc3)ccc12
CC(C)(C)c1ccc(cc1)C1(CCCN2CCc3cc(OCc4ccccc4)ccc3C(O)C2)OCC(C)(C)CO1
COc1ccc(cc1)C1(CCCN2CCc3cc(OCc4ccccc4)ccc3C(O)C2)OCC(C)(C)CO1
CC1(C)COC(CCCN2CCc3cc(OCc4ccccc4)ccc3C(O)C2)(OC1)c1ccc(F)cc1
OC1CN(Cc2cccc(c2)-c2ccccc2)CCc2cc(OCc3ccccc3)ccc12
CN(Cc1ccccc1)C(=O)CN1CCc2cc(OCc3ccccc3)ccc2C(O)C1
OC1CN(CCc2cc(OCc3ccccc3)ccc12)C1CCC2(CC1)OCCO2
OC1CN(CCc2cc(OCc3ccccc3)ccc12)C1COC(OC1)c1ccccc1 |(-.41,-42.15,;-.02,-43.6,;1.5,-43.85,;2.27,-45.28,;1.61,-46.73,;.09,-47.1,;-1.21,-46.09,;-2.51,-46.84,;-3.81,-46.08,;-5.11,-46.84,;-6.41,-46.09,;-7.71,-46.85,;-9.01,-46.11,;-10.31,-46.86,;-10.31,-48.36,;-9.01,-49.11,;-7.7,-48.36,;-3.82,-44.59,;-2.53,-43.83,;-1.22,-44.58,;3.89,-45.22,;4.75,-46.6,;6.36,-46.55,;7.13,-45.12,;6.27,-43.73,;4.64,-43.78,;8.75,-45.07,;9.6,-46.45,;11.22,-46.41,;11.99,-44.98,;11.13,-43.59,;9.51,-43.65,)|
OC1CN(CCc2cc(OCc3ccccc3)ccc12)C1CCN(CC1)C(=O)c1ccccc1
OC1CN(CCc2cc(OCc3ccccc3)ccc12)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wD:20.22,23.29,(-.38,6.74,;-0,5.31,;1.51,5.06,;2.27,3.64,;1.62,2.21,;.11,1.85,;-1.16,2.84,;-2.46,2.1,;-3.74,2.84,;-5.03,2.1,;-6.31,2.84,;-7.59,2.09,;-8.88,2.83,;-10.16,2.08,;-10.16,.6,;-8.88,-.15,;-7.59,.6,;-3.75,4.32,;-2.48,5.07,;-1.18,4.34,;3.86,3.63,;4.66,2.24,;6.26,2.23,;7.08,3.61,;6.29,5.01,;4.67,5.02,;8.68,3.59,;9.46,2.19,;11.06,2.17,;11.88,3.56,;11.08,4.96,;9.48,4.96,)|
OC1CN(CCc2cc(OCc3ccccc3)ccc12)[C@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:23.29,wD:20.22,(25.44,6.92,;25.82,5.49,;27.33,5.24,;28.09,3.82,;27.44,2.39,;25.93,2.03,;24.66,3.02,;23.36,2.28,;22.08,3.02,;20.8,2.28,;19.51,3.02,;18.23,2.27,;16.94,3.01,;15.66,2.26,;15.66,.78,;16.94,.03,;18.24,.78,;22.07,4.5,;23.34,5.25,;24.65,4.52,;29.69,3.83,;30.49,2.44,;32.1,2.44,;32.9,3.82,;32.1,5.22,;30.48,5.22,;34.5,3.82,;35.29,2.43,;36.9,2.43,;37.7,3.81,;36.89,5.21,;35.29,5.2,)|
OC1CN(Cc2ccc(cc2)N2CCCCC2)CCc2cc(OCc3ccccc3)ccc12
CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCc2cc(OCc3ccccc3)ccc2C(O)C1
COc1ccc(cc1)C(=O)CCCN1CCc2cc(OCc3ccccc3)ccc2C(O)C1
OC1CN(CCCC(=O)c2ccc(F)cc2)CCc2cc(OCc3ccccc3)ccc12
OC1CN(CCCOc2ccccc2)CCc2cc(O)ccc12
OC1CN(CCCS(=O)(=O)c2ccccc2)CCc2cc(O)ccc12
CN(Cc1ccccc1)C(=O)CN1CCc2cc(O)ccc2C(O)C1
OC1CN(CCc2cc(O)ccc12)C1CCC2(CC1)OCCO2
OC1CN(CCc2cc(O)ccc12)[C@H]1CO[C@@H](OC1)c1ccccc1 |r,wU:16.21,wD:13.14,(30.75,-3.37,;31.13,-4.81,;32.64,-5.06,;33.4,-6.48,;32.76,-7.92,;31.24,-8.29,;29.96,-7.28,;28.66,-8.03,;27.36,-7.28,;26.08,-8.03,;27.36,-5.8,;28.64,-5.05,;29.94,-5.78,;35.01,-6.48,;35.82,-7.87,;37.42,-7.87,;38.23,-6.49,;37.42,-5.09,;35.81,-5.09,;39.76,-6.49,;40.53,-7.83,;42.07,-7.84,;42.85,-6.5,;42.07,-5.16,;40.53,-5.16,)|
OC1CN(CCc2cc(O)ccc12)C1CCN(CC1)C(=O)c1ccccc1
OC1CN(CCc2cc(O)ccc12)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wD:13.14,16.21,(-4.14,-13.16,;-3.76,-14.6,;-2.25,-14.86,;-1.49,-16.27,;-2.13,-17.71,;-3.65,-18.07,;-4.93,-17.07,;-6.22,-17.81,;-7.52,-17.06,;-8.8,-17.82,;-7.52,-15.59,;-6.24,-14.84,;-4.94,-15.57,;.12,-16.27,;.92,-17.66,;2.52,-17.66,;3.33,-16.28,;2.52,-14.88,;.91,-14.88,;4.86,-16.28,;5.63,-17.62,;7.17,-17.63,;7.94,-16.29,;7.17,-14.95,;5.63,-14.95,)|
OC1CN(CCc2cc(O)ccc12)[C@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:16.21,wD:13.14,(16.06,-12.53,;16.44,-13.97,;17.95,-14.23,;18.71,-15.64,;18.07,-17.08,;16.55,-17.44,;15.27,-16.44,;13.98,-17.18,;12.68,-16.43,;11.4,-17.19,;12.68,-14.96,;13.96,-14.21,;15.26,-14.94,;20.32,-15.64,;21.12,-17.03,;22.72,-17.03,;23.53,-15.65,;22.72,-14.25,;21.11,-14.25,;25.06,-15.65,;25.83,-16.99,;27.37,-17,;28.14,-15.66,;27.37,-14.32,;25.83,-14.32,)|
OC1CN(CCCC(=O)c2ccc(F)cc2)CCc2cc(O)ccc12
FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
OCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Cc1ccc(cc1)S(=O)(=O)OCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
ClCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
FCCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12
OCCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12
FCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc12
OCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc12
ClCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc12
CC(N1CCC2(CC1)OC(CCF)c1ccccc21)c1ccccc1
CC(N1CCC2(CC1)OC(CCO)c1ccccc21)c1ccccc1
CCCCN1CCC2(CC1)OC(CCF)c1ccccc21
CCCCN1CCC2(CC1)OC(CCO)c1ccccc21
CCCCCCCCN1CCC2(CC1)OC(CCF)c1ccccc21
CCCCCCCCN1CCC2(CC1)OC(CCO)c1ccccc21
[#6]\[#6](-[#6])=[#6]/[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6](-[#6]-[#6]F)-c1ccccc21
CCCC1OC2(CCN(CC2)C(C)c2ccccc2)c2ccccc12
Fc1cccc(CCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:10:17:15:13.19,9:19:17.18:15,11:18:15:13.19,12:13:17.18:15|
Fc1cccc(CN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:9:16:14:12.18,8:18:16.17:14,10:17:14:12.18,11:12:16.17:14|
CN(CCc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:12:19:17:15.21,11:21:19.20:17,13:20:17:15.21,14:15:19.20:17|
CN(Cc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:11:18:16:14.20,10:20:18.19:16,12:19:16:14.20,13:14:18.19:16|
OC1(CCN(CCCC(OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
[O-]C(=O)CCCc1ccccc1
COc1cccc2[C@H](CCCc12)OCCN1CCN(CC1)C1CCCCC1 |r|
COc1cccc2C(CCCc12)N(C)CCN1CCN(CC1)C1CCCCC1
COc1cccc2c(NCCN3CCN(CC3)C3CCCCC3)cccc12
COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCOc12
COc1cccc2C(CCCc12)NC(=O)CN1CCN(CC1)C1CCCCC1
COc1cccc2[C@H](CCCc12)NCCN1CCN(CC1)C1CCCCC1 |r|
COc1cccc2c(NC(=O)CN3CCN(CC3)C3CCCCC3)cccc12
C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN(CC1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
COc1cc2CN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)CCc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)c2cc1OC
COc1cc2CCCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC
COc1cc2CCCCN(CCCCN(N)C(=O)c3cc(Br)cc(OC)c3OC)c2cc1OC
COc1cc2CCCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)c2cc1OC
COc1cc(Br)cc(C(=O)NCCCCN(C)CCc2ccccc2)c1OC
FCCOc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc(cc2)-c2ccsc2)CC1
FCCOc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc(CCF)cc2)CC1
FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
FCCOc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OCCF
CN(C)c1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OCCF
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCOCCOCCF)cc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCF)cc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1
COC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
COC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
COC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccccc1 |r|
COC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccccc1 |r|
COC(=O)[C@@]1(C[C@@H]1CN1[C@@H]2CC[C@@H]1CC(O)(C2)c1ccc(Cl)cc1)c1ccccc1 |r,TLB:7:8:14.16.13:10.11,THB:15:14:8:10.11|
COC(=O)[C@]1(C[C@H]1CN1[C@@H]2CC[C@@H]1CC(O)(C2)c1ccc(Cl)cc1)c1ccccc1 |r,TLB:7:8:14.16.13:10.11,THB:15:14:8:10.11|
COC(=O)[C@@]1(C[C@@H]1CN1C2CCC1C=C(C2)c1ccc(Cl)cc1)c1ccccc1 |r,c:15,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
COC(=O)[C@]1(C[C@H]1CN1C2CCC1C=C(C2)c1ccc(Cl)cc1)c1ccccc1 |r,c:15,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Fc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Brc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Ic1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
[O-][N+](=O)c1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Cc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Cc1ccccc1NC(N)=NC1CC2CCC1C2 |w:10.11,TEB:10:11:17:15.14|
CNC(NC1CCCCC1)=NC1CCCCC1 |w:10.11|
CCCCCCCCNC(NC1CCCCC1)=NC1CCCCC1 |w:17.18|
Cc1ccccc1[N-]C(N)=[NH+]c1ccc(cc1C)[N+]([O-])=O
Cc1ccccc1N=C(N)Nc1ccccc1I |w:7.7|
CCCCCN(Cc1ccccc1)[C@H]1CC[C@]2(CC1)OC(Cc1ccccc21)OC |r,wU:13.13,16.20,(32.61,-18.88,;32.61,-20.42,;31.28,-21.19,;31.28,-22.74,;32.62,-23.5,;33.95,-22.73,;33.95,-21.19,;35.29,-20.42,;36.61,-21.19,;37.95,-20.42,;37.95,-18.88,;36.6,-18.11,;35.27,-18.88,;35.29,-23.5,;36.05,-22.15,;37.69,-22.77,;38.95,-22.36,;38.19,-23.7,;36.48,-23.08,;38.95,-20.82,;40.29,-20.05,;41.62,-20.83,;41.61,-22.36,;42.93,-23.12,;42.93,-24.64,;41.6,-25.41,;40.28,-24.64,;40.28,-23.12,;40.29,-18.51,;41.63,-17.75,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(Cc2ccccc2)Cc2ccccc2)O1 |r,wU:13.17,10.34,(2.28,-30.3,;.94,-31.06,;.94,-32.6,;2.27,-33.38,;2.26,-34.91,;3.58,-35.67,;3.58,-37.19,;2.25,-37.96,;.93,-37.19,;.93,-35.67,;-.4,-34.9,;-1.66,-35.32,;-3.3,-34.69,;-4.06,-36.05,;-2.88,-35.63,;-1.16,-36.24,;-5.4,-35.28,;-5.4,-33.74,;-4.07,-32.96,;-2.74,-33.74,;-1.41,-32.97,;-1.41,-31.42,;-2.75,-30.66,;-4.08,-31.43,;-6.74,-36.05,;-8.07,-35.28,;-8.08,-33.74,;-9.41,-32.97,;-10.75,-33.75,;-10.74,-35.29,;-9.41,-36.05,;-.4,-33.37,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCc2ccccc2)O1 |r,wU:10.26,wD:13.17,(24.78,6.63,;23.43,5.86,;23.43,4.32,;24.77,3.54,;24.76,2,;26.08,1.24,;26.08,-.29,;24.75,-1.06,;23.42,-.29,;23.43,1.24,;22.09,2,;21.33,.65,;19.6,1.28,;18.41,.86,;19.18,2.21,;20.82,1.59,;18.41,-.69,;19.75,-1.47,;19.74,-3.01,;18.4,-3.77,;18.39,-5.31,;19.72,-6.09,;21.06,-5.32,;21.07,-3.78,;22.09,3.54,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)NCc2ccccc2)O1 |r,wU:10.26,13.17,(37.38,4.22,;36.04,3.45,;36.04,1.91,;37.37,1.13,;37.36,-.41,;38.68,-1.17,;38.68,-2.69,;37.35,-3.46,;36.04,-2.69,;36.04,-1.16,;34.7,-.4,;33.44,-.81,;31.8,-.19,;31.03,-1.54,;32.22,-1.12,;33.94,-1.74,;29.69,-.78,;29.68,.77,;28.35,1.54,;28.36,3.09,;27.02,3.86,;25.68,3.09,;25.69,1.53,;27.02,.77,;34.7,1.14,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCc2ccc(OC)cc2)O1 |r,wU:10.28,wD:13.17,(-.86,-4.83,;-2.2,-5.6,;-2.21,-7.15,;-.87,-7.92,;-.88,-9.47,;.44,-10.23,;.44,-11.75,;-.89,-12.52,;-2.21,-11.75,;-2.21,-10.22,;-3.54,-9.46,;-4.31,-10.8,;-6.04,-10.18,;-7.22,-10.61,;-6.46,-9.25,;-4.82,-9.87,;-7.23,-12.15,;-8.57,-12.92,;-8.57,-14.46,;-9.91,-15.22,;-9.91,-16.76,;-8.59,-17.54,;-8.59,-19.08,;-9.92,-19.85,;-7.24,-16.77,;-7.24,-15.23,;-3.55,-7.92,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)NCc2ccc(OC)cc2)O1 |r,wU:13.17,10.28,(14.88,-7.34,;13.54,-8.1,;13.54,-9.64,;14.87,-10.42,;14.86,-11.96,;16.17,-12.71,;16.17,-14.23,;14.85,-15.01,;13.53,-14.23,;13.54,-12.71,;12.2,-11.95,;10.93,-12.36,;9.3,-11.74,;8.53,-13.09,;9.72,-12.67,;11.43,-13.29,;7.2,-12.33,;7.2,-10.78,;5.86,-10.01,;5.86,-8.47,;4.53,-7.7,;3.19,-8.47,;1.85,-7.7,;.52,-8.48,;3.2,-10.02,;4.53,-10.79,;12.2,-10.41,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)C)O1 |r,wU:10.20,wD:13.17,(24.05,-6.81,;22.71,-7.59,;22.7,-9.14,;24.04,-9.91,;24.03,-11.45,;25.35,-12.22,;25.35,-13.75,;24.02,-14.52,;22.7,-13.75,;22.7,-12.22,;21.36,-11.45,;20.59,-12.8,;18.87,-12.18,;17.67,-12.6,;18.44,-11.24,;20.09,-11.87,;17.66,-14.15,;16.32,-14.92,;19,-14.93,;21.36,-9.9,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)C)O1 |r,wU:10.20,13.17,(39.08,-6.58,;37.74,-7.35,;37.74,-8.9,;39.07,-9.67,;39.07,-11.22,;40.38,-11.98,;40.39,-13.5,;39.05,-14.27,;37.73,-13.5,;37.73,-11.97,;36.4,-11.21,;35.13,-11.62,;33.48,-11,;32.72,-12.36,;33.91,-11.93,;35.63,-12.55,;31.38,-11.59,;31.38,-10.04,;30.04,-12.36,;36.39,-9.67,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,wD:13.17,(-1.47,-19.23,;-2.8,-20,;-2.81,-21.55,;-1.48,-22.32,;-1.48,-23.86,;-.17,-24.62,;-.17,-26.14,;-1.5,-26.91,;-2.81,-26.14,;-2.81,-24.62,;-4.14,-23.85,;-4.91,-25.2,;-6.63,-24.58,;-7.82,-25,;-7.05,-23.64,;-5.41,-24.27,;-7.83,-26.55,;-6.49,-27.32,;-9.17,-27.31,;-10.5,-26.53,;-10.49,-24.99,;-11.83,-24.21,;-13.17,-24.98,;-13.17,-26.53,;-11.84,-27.3,;-4.15,-22.31,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,13.17,(13.82,-18.64,;12.48,-19.41,;12.48,-20.95,;13.81,-21.73,;13.81,-23.27,;15.12,-24.03,;15.12,-25.55,;13.79,-26.32,;12.47,-25.55,;12.48,-24.03,;11.14,-23.26,;9.87,-23.68,;8.23,-23.05,;7.47,-24.41,;8.65,-23.99,;10.38,-24.6,;6.13,-23.64,;4.79,-24.41,;6.13,-22.09,;7.47,-21.32,;8.8,-22.1,;10.13,-21.32,;10.13,-19.77,;8.79,-19.01,;7.45,-19.78,;11.14,-21.73,)|
CCN(Cc1ccccc1)[C@H]1CC[C@]2(CC1)OC(Cc1ccccc21)OC |r,wU:10.10,13.17,(16.51,-23.15,;17.85,-23.92,;19.18,-23.15,;19.18,-21.61,;20.52,-20.83,;21.85,-21.61,;23.19,-20.83,;23.19,-19.29,;21.84,-18.52,;20.51,-19.29,;20.53,-23.92,;21.29,-22.56,;22.93,-23.19,;24.2,-22.77,;23.43,-24.12,;21.72,-23.5,;24.2,-21.24,;25.53,-20.47,;26.87,-21.24,;26.86,-22.78,;28.18,-23.54,;28.18,-25.06,;26.85,-25.84,;25.53,-25.06,;25.53,-23.54,;25.54,-18.92,;26.88,-18.16,)|
COc1ccc(C)cc1C(=O)NCCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:15:26:17.18:24,20:22:17.18:24,THB:16:17:26.22:24,25:26:16.19:14,17:16:26.22:14,19:18:26.22:24,23:22:16.19:14,18:19:26.22:14,13:14:16.19:26.22|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OCCc1ccccc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
OC12C3C4C5C3C(C3C5CC4C13)N2CCCC(=O)c1ccc(F)cc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC
NCC[C@@H]1CCOC(O1)(c1ccccc1)c1ccccc1 |r|
CNCC[C@@H]1CCOC(O1)(c1ccccc1)c1ccccc1 |r|
NCC[C@@H]1CCO[C@@H](O1)c1ccccc1 |r|
CNCC[C@@H]1CCO[C@@H](O1)c1ccccc1 |r|
CN(C)CC[C@@H]1CCO[C@@H](O1)c1ccccc1 |r|
C(C[C@@H]1CCO[C@@H](O1)c1ccccc1)NCc1ccccc1 |r|
CN(C)CC[C@@H]1CCOC(O1)(c1ccccc1)c1ccccc1 |r|
C(C[C@@H]1CCOC(O1)(c1ccccc1)c1ccccc1)NCc1ccccc1 |r|
CC[C@]1(OCC[C@@H](CCN)O1)c1ccccc1 |r|
CC[C@]1(OCC[C@@H](CCNC)O1)c1ccccc1 |r|
CC[C@]1(OCC[C@@H](CCN(C)C)O1)c1ccccc1 |r|
CC[C@]1(OCC[C@@H](CCNCc2ccccc2)O1)c1ccccc1 |r|
NCC[C@@H]1CCOC2(O1)C1CC3CC(C1)CC2C3 |r,wU:3.2,TLB:14:13:17:10.9.7,14:9:12.13.15:17,THB:7:9:12:15.16.17,7:16:12:10.14.9,6:7:12.13.15:17,(-.27,-32.01,;-1.61,-31.24,;-2.94,-32.01,;-4.28,-31.24,;-4.28,-29.7,;-5.6,-28.92,;-6.93,-29.7,;-6.92,-31.25,;-5.6,-32,;-6.91,-32.79,;-8.31,-33.14,;-9.64,-32.65,;-10.84,-33.93,;-9.34,-33.5,;-7.93,-34.07,;-9.34,-31.91,;-8.3,-30.68,;-9.65,-31.16,)|
NCCC[C@@H]1CCO[C@@H](O1)c1ccccc1 |r|
CNCCC[C@@H]1CCO[C@@H](O1)c1ccccc1 |r|
CN(C)CCC[C@@H]1CCO[C@@H](O1)c1ccccc1 |r|
C(CNCc1ccccc1)C[C@@H]1CCO[C@@H](O1)c1ccccc1 |r|
NCCC[C@@H]1CCOC(O1)(c1ccccc1)c1ccccc1 |r|
CC[C@]1(OCC[C@@H](CCCN)O1)c1ccccc1 |r|
COC(=O)N1CC2C(CCCC1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |TLB:2:4:13.12:7.8.9.10,THB:25:7:13.12:4.5|
COc1ccc(CN2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1 |TLB:24:13:7.8:16.15,THB:17:16:7.8:13.12.11.10|
Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
OC1(CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1)c1ccc(Cl)cc1
O=C1CCc2ccc(OCCCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2N1
Clc1ccc2n(C3CCN(CCCCOc4ccc5CCC(=O)Nc5c4)CC3)c(=O)[nH]c2c1
CN1CN(c2ccccc2)C2(CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)C1=O
COc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
FCCOc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
COc1ccc(cc1)N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
COc1cc(C)ccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
FCCOc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
COc1ccccc1N1CCN(CCCOc2ccc3CCC(=O)Nc3c2)CC1
COc1ccccc1N1CCN(CCCOc2ccc3ccc(=O)[nH]c3c2)CC1
COc1ccccc1N1CCN(CCCCCOc2ccc3CCC(=O)Nc3c2)CC1
COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
COc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c(OC)c1
CCCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:4:5:10:20.14.13,THB:19:20:10:5.7.6|
Cc1ccc(cc1)C1CCN(CC1)[C@@H]1CCCC[C@H]1O |r|
O[C@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
COc1ccc(CN2CC[C@@H]([C@@H](O)C2)N2CCC(CC2)C(=O)c2ccc(F)cc2)cc1 |r|
O[C@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
O[C@H]1CN(Cc2cccnc2)CC[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1O |r|
COc1ccc(CN2CC[C@@H]([C@@H](O)C2)N2CCC(CC2)C(=O)c2ccc(OC)cc2)cc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2ccccc2)C[C@@H]1O |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2cccnc2)C[C@@H]1O |r|
O[C@H]1CN(CC[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1 |r|
COc1ccc(cc1)C(=O)N1CC[C@@H]([C@@H](O)C1)N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
O[C@H]1CN(CC[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1ccccc1 |r|
O[C@H]1CN(CC[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1cccnc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(C[C@@H]1O)C(=O)c1ccc(F)cc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(C[C@@H]1O)C(=O)c1ccccc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(C[C@@H]1O)C(=O)c1cccnc1 |r|
O[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
COc1ccc(CN2CC[C@H](O)[C@H](C2)N2CCC(CC2)C(=O)c2ccc(F)cc2)cc1 |r|
O[C@H]1CCN(Cc2ccccc2)C[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
O[C@H]1CCN(Cc2cccnc2)C[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1O |r|
COc1ccc(CN2CC[C@H](O)[C@H](C2)N2CCC(CC2)C(=O)c2ccc(OC)cc2)cc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CN(Cc2ccccc2)CC[C@@H]1O |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CN(Cc2cccnc2)CC[C@@H]1O |r|
COc1cccc2C(CCCN3CCN(CC3)C3CCN(CCCCCCNc4ccc([N+]([O-])=O)c5[n-][o+]nc45)CC3)CCCc12
COc1cccc2C(CCCN3CCN(CC3)C3CCN(CCCCCCNS(=O)(=O)c4cccc5c(cccc45)N(C)C)CC3)CCCc12
[O-][N+](=O)c1ccc(NCCCCCCOc2cccc3C(CCCN4CCN(CC4)C4CCCCC4)CCCc23)c2nonc12
[O-][N+](=O)c1ccc(NCCOCCOc2cccc3C(CCCN4CCN(CC4)C4CCCCC4)CCCc23)c2nonc12
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCOc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCOCCOc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Fc1ccc(CCN2C3CC4CC(C3)CC2C4)cc1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
Fc1cccc(CCN2C3CC4CC(C3)CC2C4)c1 |TLB:17:16:14:10.11.12,THB:17:11:8.16.15:14,12:11:8:15.13.14,12:13:8:10.17.11,7:8:14:10.11.12|
COc1ccc(CN2C3CC4CC(C3)CC2C4)cc1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
COc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:17:16:14:10.11.12,THB:17:11:8.16.15:14,12:11:8:15.13.14,12:13:8:10.17.11,7:8:14:10.11.12|
Fc1ccc(CN2C3CC4CC(C3)CC2C4)cc1 |TLB:15:14:12:8.9.10,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,5:6:12:8.9.10|
Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5|
OC12CC3CC(CC(C3)N1CCc1ccc(F)cc1)C2 |TLB:8:7:19:2.3.4,8:3:9.7.6:19,4:5:9:2.8.3,THB:4:3:9:6.5.19,10:9:19:2.3.4|
OC12CC3CC(CC(C3)N1CCc1cccc(F)c1)C2 |TLB:8:7:19:2.3.4,8:3:9.7.6:19,4:5:9:2.8.3,THB:4:3:9:6.5.19,10:9:19:2.3.4|
COc1ccc(CN2C3CC4CC(C3)CC2(O)C4)cc1 |TLB:9:10:7.8.13:14,6:7:14:17.10.11,THB:9:8:14:17.10.11,11:10:7:13.12.14,11:12:7:17.9.10|
COc1cccc(CN2C3CC4CC(C3)CC2(O)C4)c1 |TLB:10:11:8.9.14:15,7:8:15:18.11.12,THB:10:9:15:18.11.12,12:11:8:14.13.15,12:13:8:18.10.11|
OC12CC3CC(CC(C3)N1Cc1ccc(F)cc1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4|
OC12CC3CC(CC(C3)N1Cc1cccc(F)c1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4|
OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4|
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)ccc2c1
COc1cc2CCN(CCCCn3ccc4cc(ccc34)C(C)=O)Cc2cc1OC
C(CCn1cc(-c2ccccc2)c2ccccc12)CN1CCN(CC1)C1CCCCC1
Fc1ccc(cc1)N1CCN(CCCCn2cc(-c3ccccc3)c3ccccc23)CC1
COc1cc2CCN(CCCCn3cc(-c4ccccc4)c4ccccc34)Cc2cc1OC
C(CCn1cc(-c2ccoc2)c2ccccc12)CN1CCN(CC1)C1CCCCC1
Fc1ccc(cc1)N1CCN(CCCCn2cc(-c3ccoc3)c3ccccc23)CC1
COc1cc2CCN(CCCCn3cc(-c4ccoc4)c4ccccc34)Cc2cc1OC
CC(=O)c1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)ccc2c1
COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1
COc1cccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)c1
COc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
C(CN1CCN(Cc2cc3ccccc3o2)CC1)Cc1ccccc1
COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1
COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1
COc1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
C(CCc1ccccc1)CN1CCN(Cc2cc3ccccc3o2)CC1
COc1ccccc1CCCCN1CCN(Cc2cc3ccccc3o2)CC1
COc1cccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)c1
COc1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
C(Cc1ccccc1)N1CCN(Cc2cc3ccccc3o2)CC1
NC1CC(c2ccccc2)c2cc(O)c(O)cc2C1
CCN(CC)C1CC(c2ccccc2)c2ccccc2C1
CN(C)[C@@H]1C[C@@H](c2ccccc2)c2cc(O)c(Cl)cc2C1
CN(C)C1CC(c2ccccc2)c2ccccc2C1
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC(C)=C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C1CCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1cc(ccc21)-c1cccc(OC)c1 |r,TLB:16:15:2:5.13.14,6:5:2:20.15,THB:19:20:2:5.13.14|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C1CCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(Cc2ccccc2)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC(=O)OC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1ccc(cc21)N1CCOCC1 |r,TLB:16:15:2:5.13.14,6:5:2:20.15,THB:19:20:2:5.13.14|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC2CCCC2)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(Cc2ccccc2)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C(C)C |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC=C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(cc21)N1CCN(C)CC1 |r,TLB:8:5:2:24.19,20:19:2:5.6.7,THB:23:24:2:5.6.7|
[H][C@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1ccc(cc21)-c1cccc(OC)c1 |r,TLB:16:15:2:5.13.14,6:5:2:20.15,THB:19:20:2:5.13.14|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CCC(=O)OC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CCC(=O)OCC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C(C)C |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC2CCCC2)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C1CCCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CCC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1 |TLB:16:15:1:10.4.3|
c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1 |TLB:16:15:1:10.4.3|
C[N+]1(CC=C)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Fc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1
CN(C)C\C=C(/C)c1ccccc1
COc1ccc(cc1)C(\C)=C\CN(C)C
COc1cccc(c1)C(\C)=C\CN(C)C
CN(C\C=C(/C)c1ccccc1)Cc1ccccc1
COc1ccc(cc1)C(\C)=C\CN(C)Cc1ccccc1
COc1cccc(c1)C(\C)=C\CN(C)Cc1ccccc1
C\C(=C/CN1CCCCC1)c1ccc2ccccc2c1
C\C(=C/CN1CCCCC1)c1ccc(cc1)-c1ccccc1
C\C(=C/CN1CCCCC1)c1ccccc1
COc1ccc(cc1)C(\C)=C\CN1CCCCC1
COc1cccc(c1)C(\C)=C\CN1CCCCC1
C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
COc1ccc(cc1)C(\C)=C\CN1CCC(Cc2ccccc2)CC1
COc1cccc(c1)C(\C)=C\CN1CCC(Cc2ccccc2)CC1
C\C(=C/CN1CCOCC1)c1ccc2ccccc2c1
C\C(=C/CN1CCOCC1)c1ccc(cc1)-c1ccccc1
C\C(=C/CN1CCOCC1)c1ccccc1
COc1ccc(cc1)C(\C)=C\CN1CCOCC1
COc1cccc(c1)C(\C)=C\CN1CCOCC1
CC(CCN1CCCCC1)c1ccc(cc1)-c1ccccc1
COc1cccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c1OC
COc1c(O)c(ccc1I)C(=O)NCCCCN1CCc2ccc(cc2C1)[N+]([O-])=O
COc1cccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c1O
COc1cccc(C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)c1O
COc1cc2CCN(CCCCNC(=O)c3ccccc3)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3ccc(cc3)[N+]([O-])=O)Cc2cc1OC
COc1cc2CCN(CCCCNC(=O)c3cccc(c3)[N+]([O-])=O)Cc2cc1OC
[O-][N+](=O)c1ccc2CCN(CCCCN3C(=O)c4ccccc4C3=O)Cc2c1
CC1(C)CCCN(CCCC2CCCc3sccc23)C1
Oc1ccc2[nH]cc(C(=O)CN3CCN(Cc4ccccc4)CC3)c2c1
Oc1ccc2[nH]cc(C(=O)C(=O)N3CCC(Cc4ccccc4)CC3)c2c1
Oc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1
Oc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
Oc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
OCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
FCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12
CC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12
CC(N1CCC2(CC1)OC(CF)c1ccccc21)c1ccccc1
CC(N1CCC2(CC1)OC(C)c1ccccc21)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)OCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
COc1ccc(cc1)N1C[C@@H](CN2CCC(O)(CC2)c2ccc(OC)cc2)OC1=O
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc(OC)c(OC)c2)OC1=O
CC(=O)Oc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OCOc3c2)OC1=O
CCOc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OCOc3c2)OC1=O
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OC(C)(C)Oc3c2)OC1=O
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccsc2)OC1=O
COc1ccc(cc1)N1C[C@@H](CN2CCC(O)(CC2)c2ccccc2)OC1=O
COc1ccc(cc1)N1C[C@H](CN2CCC(CC2)c2ccc3OCOc3c2)OC1=O
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc(F)cc2)OC1=O
COc1ccc(cc1)N1C[C@@H](CN2CCC(O)(CC2)c2ccc(Cl)cc2)OC1=O
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OCCc3c2)OC1=O
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OCCOc3c2)OC1=O
OC1(CCN(C[C@H]2CN(C(=O)O2)c2ccc(OCC3CC3)cc2)CC1)c1ccc2OCOc2c1
OC1(CCN(C[C@H]2CN(C(=O)O2)c2ccc(OC(F)(F)F)cc2)CC1)c1ccc2OCOc2c1
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2cccs2)OC1=O
OC1(CCN(C[C@H]2CN(C(=O)O2)c2ccccc2)CC1)c1ccc2OCOc2c1
COc1ccc(cc1)N1C[C@@H](CN2CCC(O)(CC2)c2ccc(F)cc2)OC1=O
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OCOc3c2)OC1=O
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc(C)cc2)OC1=O
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc(OC)cc2)OC1=O
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OC4(CCCC4)Oc3c2)OC1=O
Oc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OCOc3c2)OC1=O
COc1ccc(cc1)N1C[C@H](CN2CCC(=CC2)c2ccc3OCOc3c2)OC1=O |c:16|
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccccc2)OC1=O
OC1(CCN(C[C@H]2CN(C(=O)O2)c2ccc(Cl)cc2)CC1)c1ccc2OCOc2c1
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc(Cl)c(c2)C(F)(F)F)OC1=O
COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc(Cl)cc2)OC1=O
OC1(CCN(C[C@H]2CN(C(=O)O2)c2ccc(F)cc2)CC1)c1ccc2OCOc2c1
CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
COc1cccc2[C@@H]([C@H](CCc12)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Ic1ccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)cc1 |TLB:12:17:10.9:19,7:21:10.9:19,THB:11:10:17.21:19,8:9:17.21:19|
Ic1cccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)c1 |TLB:13:18:11.10:20,8:22:11.10:20,THB:12:11:18.22:20,9:10:18.22:20|
C1C2CC3CC1CC(C2)(C3)N
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(Br)c1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5|
Brc1cccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)c1 |TLB:13:18:11.10:20,8:22:11.10:20,THB:12:11:18.22:20,9:10:18.22:20|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5|
C(NC1C2C3C4C2C2(OCCO2)C2C4CC3C12)c1ccccc1 |TLB:7:12:5.4:14,2:16:5.4:14,THB:6:5:12.16:14,3:4:12.16:14|
C[C@H](NCc1ccc(NCc2cccc(F)c2)cc1)C(N)=O
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
COc1ccc(CN[C@@H](C)C(N)=O)cc1
C[C@H](NCc1ccc(OCCCCc2ccccc2)cc1)C(N)=O
CNC(=O)[C@@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
CNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
C[C@@H](NCc1ccc(NCc2cccc(F)c2)cc1)C(N)=O
C[C@H](NCc1ccc(OCCCCCc2ccccc2)cc1)C(N)=O
C[C@@H](NCc1ccc(OCCCc2ccccc2)cc1)C(N)=O
C[C@H](NCc1ccc(OCCCc2ccccc2)cc1)C(N)=O
C(CCN1CCCCC1Cc1ccccc1)CCc1ccccc1
C(CCN1CCCC(C1)c1ccccc1)CCc1ccccc1
CCCCCCN(C)CCc1ccccc1
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(cc12)C#Cc1ccc(Cl)s1)C(=O)OCC |r|
CNCC[C@@]12CCCC[C@@H]1C=Cc1ccc(OC)cc21 |c:11|
COc1ccc2C=C[C@H]3CCCC[C@@]3(CCN(C)CCOCc3ccccc3)c2c1 |c:6|
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4c3cc(cc4)OC
COCCN(C)CC[C@@]12CCCC[C@@H]1C=Cc1ccc(OC)cc21 |c:15|
COc1ccc2C=C[C@H]3CCCC[C@@]3(CCN(C)CCO)c2c1 |c:6|
CN(CC[C@]12CCCC[C@H]1C=Cc1ccc(OCC(=O)OC(C)(C)C)cc21)CC(=O)OC(C)(C)C |c:11|
COc1ccc2C=C[C@H]3CCCC[C@@]3(CCN(C)C)c2c1 |c:6|
COc1ccc2C=C[C@H]3CCCC[C@@]3(CCN(C)CC=C)c2c1 |c:6|
CN(CC[C@@]12CCCC[C@@H]1C=Cc1ccc(OCC(=O)OC(C)(C)C)cc21)CC(=O)OC(C)(C)C |c:11|
COc1ccc2C=C[C@H]3CCCC[C@@]3(CC[N+](C)(C)C(=O)OC(C)(C)C)c2c1 |c:6|
CCOC(=O)N(C)CC[C@@]12CCCC[C@@H]1C=Cc1ccc(OC)cc21 |c:16|
COc1ccc2CCC3C(CCCN3Cc3ccccc3)c2c1
CCCN1CCCC2C1CCc1cccc(O)c21
COc1ccc2CCC3C(CCCN3CCc3ccccc3)c2c1
CN1CCCC2C1CCc1c(O)cccc21
Oc1ccc2CCC3C(CCCN3Cc3ccccc3)c2c1
Oc1cccc2C3CCCN(CCc4ccccc4)C3CCc12
CN1CCCC(C1)c1cccc(O)c1
CCCN1CCCC(C1)c1cccc(c1)C(F)(F)F
Oc1cccc(c1)[C@@H]1CCCN(CCc2ccccc2)C1
Oc1ccc2CCC3C(CCCN3CCc3ccccc3)c2c1
CCCCN1CCCC2C1CCc1c(O)cccc21
CCN1CCCC2C1CCc1c(O)cccc21
CCCN1CCCC(C1)c1ccc(O)cc1
CCCCN1CCCC2C1CCc1ccc(OC)cc21
CCCN1CCCC(C1)c1cccc(F)c1
Oc1cccc(c1)[C@H]1CCCN(CCc2ccccc2)C1
CCN1CCCC2C1CCc1ccc(O)cc21
Oc1cccc2C3CCCNC3CCc12
CN1CCCC2C1CCc1ccc(O)cc21
CCOCCN1CCc2ccccc2C1c1ccccc1
C1NC(c2ccccc12)c1ccccc1
CC(C)C1NCCc2ccccc12
COc1ccccc1-c1cccc2CCNCc12
C[C@H]1C2Cc3ccccc3[C@@]1(C)CCN2CC=C |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
C(N1CCc2ccccc2C1)c1ccccc1
C=CCN1CCc2ccccc2C1c1ccc2ccccc2c1
CC1Cc2ccccc2CN1C
CC(C)C1N(C)CCc2ccsc12
Fc1ccc(cc1)C1NCCc2ccccc12
C(C1NCCc2ccccc12)c1ccccc1
C1Cc2ccccc2C(N1)c1ccc2ccccc2c1
C1Cc2ccsc2C(N1)c1ccccc1
C1NCc2ccccc2C1c1ccccc1
COc1ccc(cc1)C1NCCc2ccccc12
C=CCN1CCc2ccsc2C1c1ccccc1
CC(C)CC1NCCc2ccccc12
C1CCC(CC1)C1NCCc2ccccc12
C1Cc2ccccc2C(N1)c1ccccc1
CC(C)C1N(CC=C)CCc2ccsc12
CCN1CCc2ccccc2C1c1ccccc1
Clc1ccc(cc1)C1NCCc2ccccc12
C1NC(Cc2ccccc12)c1ccccc1
C=CCN1CCc2ccccc2C1c1ccccc1
CC1NCCc2ccsc12
C=CCN1CCc2ccccc2C1C1CCCCC1
Cc1ccc(cc1)C1NCCc2ccccc12
CC(C)C1NCCc2ccsc12
CN1CCc2ccccc2C1
C1Cc2ccccc2C(N1)c1cccs1
CN1CCc2ccccc2C1c1ccccc1
C1Cc2cccc(c2CN1)-c1ccccc1
CC1Cc2ccccc2CN1Cc1ccccc1
CC1Cc2ccccc2C(C)N1
CC1Cc2ccccc2C(C)N1CC=C
CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc21
CC[C@@]12CCN(CC3CCC3)C[C@@H]1Oc1ccc(O)cc21
CC[C@@]12CCN(CC3CCCO3)C[C@@H]1Oc1ccc(O)cc21
CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21
CCCN1CC[C@]2(CC)[C@H](C1)Oc1ccc(O)cc21
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
CC[C@@]12CCN(CC3CCCC3)C[C@@H]1Oc1ccc(O)cc21
CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc21
CC[C@@]12CCN(C)C[C@]1(C)Oc1ccc(O)cc21
CC[C@@]12CCN(Cc3ccco3)C[C@@H]1Oc1ccc(O)cc21
CC[C@@]12CCN(Cc3ccoc3)C[C@@H]1Oc1ccc(O)cc21
CCC1CN(CC2CC2)C2C(C)C1c1cc(O)ccc1C2=O |TLB:11:10:20.13.19:4.2.3|
Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
CN([C@H]1CCCC[C@H]1N1CCCC1)S(=O)(=O)c1ccccc1
CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccsc1
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(cc1)[N+]([O-])=O
CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2ccccc12
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)COc1ccc(Cl)c(Cl)c1
COc1cc(CCC(=O)N(C)C2CCCC[C@@H]2N2CCCC2)cc(OC)c1OC
CN(CCc1ccccc1)C1CCCC[C@H]1N1CCCC1
COc1cc(CC(=O)N(C)C2CCCC[C@@H]2N2CCCC2)cc(OC)c1OC
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)COc1ccc(Cl)cc1Cl
COc1ccccc1CC(=O)N(C)C1CCCC[C@@H]1N1CCCC1
CN(C1CCCC[C@H]1N1CCCC1)C(=O)c1cccc2ccccc12
CN([C@@H]1CCCC[C@@H]1N1CCCC1)C(=O)COc1cc(Cl)c(Cl)cc1Cl
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cc(Cl)c(Cl)cc1[N+]([O-])=O
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1Cl
CN(CCc1ccc2ccccc2c1)C1CCCC[C@H]1N1CCCC1
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)COc1ccccc1
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)CCc1ccccc1
COc1ccc(CC(=O)N(C)C2CCCC[C@@H]2N2CCCC2)cc1
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Nc1ccc(Cl)c(Cl)c1
CN(C1CCCC[C@@H]1N1CCCC1)C(=S)Nc1ccc(Cl)c(Cl)c1
CN([C@@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)cc1Cl
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cccc(c1)[N+]([O-])=O
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)CSc1ccccc1
CN(C1CCCC[C@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
CN(C1CCCC[C@H]1N1CCCC1)C(=O)CCCOc1ccc(Cl)cc1Cl
CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccs1
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)cc1
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Br)cc1
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)COc1cccc(Cl)c1Cl
CN(C1CCCC[C@H]1N1CCCC1)C(=O)C1(CC1)c1ccccc1
COc1cccc(CC(=O)N(C)C2CCCC[C@@H]2N2CCCC2)c1
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)OCc1ccccc1
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1c(Cl)cccc1Cl
Fc1ccc(OCCCNC(=N)Nc2ccc(I)cc2)cc1
Fc1ccc(OCCCNC(=N)Nc2ccc(Cl)cc2)cc1
COc1ccc(NC(=N)NCCCOc2ccc(F)cc2)cc1
Ic1ccc(NC(=N)Nc2ccc(I)cc2)cc1
Fc1ccc(OCCCNC(=N)NCCCOc2ccc(F)cc2)cc1
Fc1ccc(OCCCNC(=N)Nc2ccc(cc2)C(F)(F)F)cc1
CC1(C)C2CCC1(C)C(C2)N=C(N)Nc1ccccc1I |w:10.11,TEB:10:8:1:5.4|
Cc1ccccc1N=C(N)NC12CC3CC(C)(CC(C)(C3)C1)C2 |w:7.7,TLB:14:15:21:13.12.20,20:18:22:13.12.14,20:13:22:18.21.17,THB:19:18:22:13.12.14,16:15:21:13.12.20,14:13:21:15.22.17|
Cc1cc(N)ccc1N=C(N)Nc1cccc(O)c1 |w:8.8|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(N)=Nc1ccccc1I |w:15.18,TLB:0:1:8:3.10.4,4:5:11:3.10.2,4:3:11:5.8.7,THB:6:5:11:3.10.2,2:1:8:3.10.4,2:3:8:1.11.7|
NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1CCc1ccccc1 |w:13.16,TLB:6:7:11:5.4.10,10:9:12:5.4.6,10:5:12:9.11.8,THB:6:5:11:7.12.8|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(N)=Nc1ccccc1C=Cc1ccccc1 |w:15.18,23.27,TLB:4:5:11:3.10.2,4:3:11:5.8.7,0:1:8:3.10.4,THB:2:1:8:3.10.4,2:3:8:1.11.7,6:5:11:3.10.2|
NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1C=Cc1c(F)c(F)c(F)c(F)c1F |w:13.16,20.23,TLB:10:9:12:5.4.6,10:5:12:9.11.8,THB:8:9:4:7.12.6,8:7:4:9.11.10|
NC1=Nc2ccccc2CN1c1ccccc1 |t:1|
CC(C)(C)NC(N)=Nc1ccccc1I |w:7.7|
NC1=NCCN1c1ccccc1 |t:1|
NC(Nc1ccccc1C=Cc1ccccc1)=NC1C2CC3CC(C2)CC1C3 |w:17.19,10.11,TLB:20:21:25:18.19.24,THB:22:23:18:21.20.27,22:21:18:23.25.24,20:19:25:21.27.22,TEB:17:18:21.20.27:23.25.24,17:18:25:21.27.22,17:18:27:23.25.22,(16.15,-2.07,;16.15,-3.61,;17.48,-4.38,;18.81,-3.61,;18.81,-2.07,;20.15,-1.3,;21.48,-2.07,;21.48,-3.61,;20.15,-4.38,;20.15,-5.92,;21.48,-6.7,;21.48,-8.24,;22.82,-9,;22.83,-10.52,;21.48,-11.31,;20.15,-10.54,;20.15,-9,;14.82,-4.38,;13.48,-3.61,;12.06,-3.03,;10.57,-3.47,;11.77,-2.19,;11.76,-.71,;13.09,-.22,;12.06,-1.46,;14.51,-.8,;14.5,-2.32,;13.09,-2.68,)|
NC(NC1C2CC3CC(C2)CC1C3)=NC1C2CC3CC(C2)CC1C3 |w:13.16,TLB:12:11:9:6.5.7,16:17:14.15.20:21,THB:12:6:9:3.11.10,18:19:14:17.16.23,18:17:14:19.20.21,7:6:3:8.9.10,7:8:3:6.5.12,2:3:9:6.5.7,16:15:21:17.23.18,TEB:13:14:17.16.23:19.20.21,13:14:23:19.21.18,13:14:21:17.23.18,(15.82,-2.73,;15.82,-4.29,;17.17,-5.06,;18.51,-4.29,;18.64,-2.76,;20.16,-2.28,;21.65,-2.93,;20.81,-1.76,;19.37,-2.21,;17.78,-1.44,;19.29,-3.64,;20.03,-4.87,;21.52,-4.45,;14.48,-5.06,;13.13,-4.29,;14.16,-2.99,;14.17,-1.46,;12.74,-.87,;11.4,-1.36,;11.41,-2.85,;12.74,-3.35,;10.2,-4.15,;11.71,-3.7,;11.71,-2.12,)|
NC(=N)N(c1ccccc1)c1ccccc1
NC(Nc1cccc2ccccc12)=Nc1ccccc1-c1ccccc1 |w:13.15|
Cc1ccccc1NC(N)=NC1C2CC3CC(C2)CC1C3 |w:10.11,TLB:17:12:20:16.18.15,17:16:11.12.13:20,THB:15:14:11:16.17.18,15:16:11:14.13.20,TEB:10:11:14.13.20:16.17.18,10:11:20:16.18.15,10:11:18:14.20.15,(9.63,-6.99,;9.63,-5.45,;10.95,-4.68,;10.97,-3.14,;9.63,-2.37,;8.31,-3.16,;8.31,-4.7,;6.96,-5.47,;5.63,-4.7,;5.63,-3.16,;4.3,-5.47,;2.96,-4.68,;1.57,-4.12,;1.55,-2.53,;2.6,-1.29,;1.25,-1.78,;1.26,-3.25,;.06,-4.53,;2.58,-3.75,;3.98,-3.41,;3.99,-1.87,)|
NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1-c1ccccc1 |w:13.16,TLB:6:7:11:5.4.10,THB:8:9:4:7.12.6,8:7:4:9.11.10,6:5:11:7.12.8|
NC(NC1CC2CCC1C2)=NC1CC2CCC1C2 |w:10.12,THB:2:3:9:7.6,TEB:10:11:17:15.14|
Cc1ccccc1NC(N)=NC1CC2CCC1(C)C2(C)C |w:10.11,TEB:10:11:18:15.14|
Cc1ccccc1N=C(N)Nc1ccccc1C=Cc1ccccc1 |w:7.7,18.20|
NC1=Nc2ccccc2-c2ccccc2N1 |t:1|
NC(NC1CC2CCC1C2)=NC1CC2CCC1C2 |w:10.12,TLB:2:3:9:7.6,TEB:10:11:17:15.14|
c1cc2cccc3c2c(c1)NC(=N3)N
NC(Nc1ccccc1I)=NC1C2CC3CC(C2)CC1C3 |w:10.11,TLB:17:12:20:16.18.15,17:16:11.12.13:20,THB:15:14:11:16.17.18,15:16:11:14.13.20,TEB:10:11:14.13.20:16.17.18,10:11:20:16.18.15,10:11:18:14.20.15,(13.93,-.98,;13.93,-2.52,;15.28,-3.3,;16.62,-2.52,;16.62,-.98,;17.96,-.2,;19.3,-.98,;19.28,-2.52,;17.96,-3.3,;17.96,-4.84,;12.6,-3.3,;11.26,-2.52,;9.86,-1.94,;9.84,-.37,;10.89,.87,;9.55,.39,;9.55,-1.1,;8.36,-2.38,;10.87,-1.59,;12.29,-1.24,;12.29,.29,)|
Cc1ccccc1[N-]C(N)=[NH+]c1ccccc1[N+]([O-])=O
NC(Nc1ccccc1C=Cc1ccccc1)=Nc1ccccc1I |w:17.19,10.11|
CC(C)CCCC(C)[C@H]1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)NC(N)=Nc1ccccc1C |w:30.34,t:14|
N=C1N(CCN1c1ccccc1)c1ccccc1
NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1C=Cc1ccccc1 |w:13.16,21.25,TLB:10:9:12:5.4.6,10:5:12:9.11.8,THB:8:9:4:7.12.6,8:7:4:9.11.10|
NC(NC12CC3CC(CC(C3)C1)C2)=NC1C[C@H]1c1ccccc1 |w:13.16,TLB:10:9:12:5.4.6,10:5:12:9.11.8,THB:8:9:4:7.12.6,8:7:4:9.11.10|
CC(=O)[C@H]1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)NC(N)=Nc1ccccc1C |w:25.29,t:9|
O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(CC1)c1nsc2ccccc12
CC(Cc1ccccc1)NCCCCc1ccccc1
CCN[C@H](C)Cc1ccccc1 |r|
C[C@H](Cc1ccccc1)NCCOc1ccccc1 |r|
CCCN[C@H](C)Cc1ccccc1 |r|
C[C@H](Cc1ccccc1)NCC1CC1 |r|
C[C@@H](Cc1ccccc1)NC
C[C@H](Cc1ccccc1)NCc1ccccc1 |r|
CC(Cc1ccccc1)NC(C)c1ccccc1
C[C@@H](Cc1ccccc1)N(C)CCCCCc1ccccc1 |r|
C[C@H](Cc1ccccc1)NCCC(=O)c1ccccc1 |r|
C[C@H](Cc1ccccc1)NCC#Cc1ccccc1 |r|
CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
C[C@@H](N)Cc1ccccc1 |r|
CC(Cc1ccc(I)cc1)NCCCc1ccccc1
CC(Cc1ccc(Cl)c(Cl)c1)NCCCc1ccccc1
COc1ccc(CC(C)NCCCc2ccccc2)cc1
CCCc1ccc(CC(C)NCCCc2ccccc2)cc1
CC(Cc1ccc(OCc2ccccc2)cc1)NCCCc1ccccc1
C(CNC1Cc2ccccc2C1)Cc1ccccc1
C(CNC1CCCc2ccccc2C1)Cc1ccccc1
C(CNC1CCc2ccccc2C1)Cc1ccccc1
CCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Fc1ccc(COCC2CCN(CCc3ccccc3)CC2)cc1
Oc1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1
C(Oc1ccccc1)C1CCN(CC2CC2)CC1
CC1(CN2CCC(COc3ccc(F)cc3)CC2)CC1(Cl)Cl
C(Oc1ccncc1)C1CCN(CC2CC2)CC1
CC(C)(C)c1ccc(OCC2CCN(CC3CC3)CC2)cc1
CC1CC1CN1CCC(COc2ccc(F)cc2)CC1
Fc1ccc(cc1)C(=O)CC1CCN(CCc2c[nH]c3ccccc23)CC1
Clc1ccc(OCC2CCN(CC3CC3)CC2)cc1Cl
CN(C)c1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
OC(Cc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1
C(OCc1ccccc1)C1CCN(Cc2ccccc2)CC1
CSc1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1
C(Oc1ccc(Oc2ccccc2)cc1)C1CCN(CC2CC2)CC1
CC(C)(C)c1ccc(COCCC2CCN(Cc3ccccc3)CC2)cc1
Fc1ccc(CC(=O)C2CCN(Cc3ccncc3)CC2)cc1
CS(=O)(=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1
FC(F)(F)c1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1
Fc1ccc(OCC2CCN(Cc3ccncc3)CC2)cc1
COc1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1
Fc1ccc(cc1)C(=O)CC1CCN(CCc2ccc(Cl)cc2)CC1
C(Oc1ccc2ccccc2c1)C1CCN(Cc2ccccc2)CC1
Fc1ccc(cc1)C(=O)CC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
COC(=O)c1ccc(CN2CCC(COCc3ccc(F)cc3)CC2)cc1
Fc1ccc(COCC2CCN(Cc3ccc4ccccc4c3)CC2)cc1
OCc1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1
O=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
Fc1ccc(COCC2CCN(CC3CCCCC3)CC2)cc1
Fc1ccc(CN2CCC(COc3ccc(F)cc3)CC2)cc1
OC(CC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1
OC(Cc1ccc(F)cc1)C1CCN(CCCc2ccccc2)CC1
C(CCc1ccccc1)COCC1CCN(Cc2ccccc2)CC1
CC(=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1
Fc1ccc(CC(=O)CC2CCN(Cc3ccccc3)CC2)cc1
C(COC1CCN(Cc2ccccc2)CC1)Cc1ccccc1
OC(Cc1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1
Clc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
COc1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1
O=C(CC1CCN(CC2CC2)CC1)c1ccc(cc1)-c1ccccc1
OC(CC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
FC(F)(F)c1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
CCCCCN1CCC(COCc2ccc(F)cc2)CC1
Fc1ccc(cc1)C(=O)CC1CCCN(Cc2ccccc2)C1
COc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1
CS(=O)c1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1
Fc1ccc(CC(=O)C2CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)-c1ccc(OCC2CCN(CC3CC3)CC2)cc1
Fc1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1
Fc1ccc(OCCC2CCN(Cc3ccccc3)CC2)cc1
Fc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1
Fc1ccc(cc1)C(=O)CC1CCN(CCc2ccc(cc2)C(F)(F)F)CC1
OC(CC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
C(Oc1ccc2ccccc2c1)C1CCN(CC2CC2)CC1
Fc1ccc(CCN2CCC(CC(=O)c3ccc(F)cc3)CC2)cc1
Fc1ccc(COCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
Clc1ccc(OCC2CCN(CC3CC3)CC2)cc1
OC(CC1CCN(Cc2ccccc2)CC1)c1ccco1
C(Oc1ccc2[nH]ccc2c1)C1CCN(CC2CC2)CC1
CS(=O)(=O)c1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1
COc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
Fc1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1
Fc1ccc(cc1)S(=O)CC1CCN(CCC2CC2)CC1
OC(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1
Fc1ccc(COCC2CCN(Cc3cccc4ccccc34)CC2)cc1
C(Oc1ccc(cc1)-c1ccccc1)C1CCN(CC2CC2)CC1
Fc1c(F)c(F)c(OCC2CCN(CC3CC3)CC2)c(F)c1F
Fc1ccc(CC(=O)C2CCN(Cc3ccccc3)CC2)cc1
C(Oc1ccc2ccccc2n1)C1CCN(Cc2ccccc2)CC1
OC(CC1CCN(CCC2CC2)CC1)c1ccc(F)cc1
C(OC1CCCCC1)C1CCN(Cc2ccccc2)CC1
COc1cc(OCC2CCN(CC3CC3)CC2)cc(OC)c1OC
C(Oc1ccccn1)C1CCN(CC2CC2)CC1
Fc1ccc(CN2CCC(CC(=O)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(=O)CC1CCN(CCc2ccccc2)CC1
C(Oc1ccnc2ccccc12)C1CCN(CC2CC2)CC1
Fc1ccc(COCC2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1
Fc1ccc(cc1)C(=O)CC1CCCCN1Cc1ccccc1
Fc1ccc(COCC2CCN(CCCc3ccccc3)CC2)cc1
COc1ccc(cc1)C(O)CC1CCN(Cc2ccccc2)CC1
CCNc1ccc(OCC2CCN(CC3CC3)CC2)cc1
Fc1ccc(COCC2CCN(Cc3ccncc3)CC2)cc1
COC(=O)c1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1
OCc1ccc(OCC2CCN(CC3CC3)CC2)cc1
CN(C)S(=O)(=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1
C(Oc1cccnc1)C1CCN(Cc2ccccc2)CC1
Fc1ccc(cc1)S(=O)(=O)CC1CCN(CCC2CC2)CC1
Fc1ccc(OCC2CCN(CCc3ccc(Cl)cc3)CC2)cc1
COc1ccc(CN2CCC(COc3ccc(F)cc3)CC2)cc1
Fc1ccc(COCC2CCN(Cc3ccc(cc3)-c3ccccc3)CC2)cc1
Fc1ccc(OCC2CCN(CCC3CC3)CC2)cc1
Oc1ccc(CN2CCC(COCc3ccc(F)cc3)CC2)cc1
CN(C)c1cccc(OCC2CCN(CC3CC3)CC2)c1
C(CCOCC1CCN(Cc2ccccc2)CC1)CCc1ccccc1
CC(O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1
Clc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1
Fc1ccc(OCC2CCN(Cc3ccc4ccccc4c3)CC2)cc1
CSc1ccc(OCC2CCN(CC3CC3)CC2)cc1
Fc1ccc(cc1)C(=O)CC1CCN(CCC2CC2)CC1
Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1
[O-][N+](=O)c1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1
Fc1ccc(cc1)C(=O)CC1CCCN(CC2CC2)C1
OC(CC1CCN(Cc2ccccc2)CC1)c1cccs1
OC(CC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(F)(F)F
COc1ccc(cc1)-c1ccc(OCC2CCN(CC3CC3)CC2)cc1
Clc1ccc(OCC2CCN(CC3CC3)CC2)c(Cl)c1
CC(C)(C)c1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
FC(F)(F)c1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1
CSc1ccc(cc1)C(O)CC1CCN(Cc2ccccc2)CC1
Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1F
C(OC1CC1)C1CCN(Cc2ccccc2)CC1
Nc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
C(OCc1ccc(cc1)-c1ccccc1)C1CCN(Cc2ccccc2)CC1
C(Oc1ncccn1)C1CCN(CC2CC2)CC1
Fc1ccc(SCC2CCN(CCC3CC3)CC2)cc1
COc1ccc(OCC2CCN(CC3CC3)CC2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(Br)cn1
OC(CCCN1CCN(CC1)c1ncc(Br)cn1)c1ccc(F)cc1
CCC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
OC(CCCN1CCN(CC1)c1ncc(F)c(=O)[nH]1)c1ccc(F)cc1
OC(CCCN1CCN(CC1)c1ncc(F)cn1)(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(\C=C(/CCN2CCN(CC2)c2ncc(F)cn2)c2ccc(F)cc2)cc1
OC(CCCN1CCN(CC1)c1ncc(Cl)cn1)c1ccc(F)cc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)N=O
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(Cl)cn1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
CSc1nc(ncc1F)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
CC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
OC(CCCN1CCN(CC1)c1ncccn1)c1ccc(F)cc1
CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
Fc1ccc(\C=C(/CCN2CCN(CC2)c2ncccn2)c2ccc(F)cc2)cc1
COc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncc(F)cn1
Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)C#N
OC(CCCN1CCN(CC1)c1ncccn1)(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)CCN1CCN(CC1)c1ncc(F)cn1
CSc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1
OC(CCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
CC(C)(C)c1ccc(CCCN2CCCCC2)cc1
C(CN1CCOCC1)Cc1ccccc1
C[C@@H]1CN(CCCc2ccc(cc2)C(C)(C)C)C[C@@H](C)O1 |r|
CC1CN(CCCc2ccc(cc2)C(C)(C)C)CC(C)O1
CC1CCN(CCCc2ccc(cc2)C(C)(C)C)CC1
CC(C)(C)c1ccc(CCCN2CCOCC2)cc1
CN1CCC[C@H]1c1cccnc1 |r|
[O-][N+](=O)c1ccc(NCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F
[O-][N+](=O)c1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F
[O-][N+](=O)c1ccc(NCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F
COc1cc2CCN(CCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC
COc1cc2CCN(CCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC
COc1cc2CCN(CCCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC
[O-][N+](=O)c1ccc(NCCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F
COc1cc2CCN(CCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC
Clc1ccc(CCN2CCNCC2)cc1Cl
CN(CCN1CCCC1)C1CCc2cc(Cl)c(Cl)cc2C1
Clc1ccc(CCNCC2(CCCCC2)N2CCCCC2)cc1Cl
CN(CCc1ccc(Cl)c(Cl)c1)CC1(CCCCC1)N1CCCCC1
Clc1ccc(CCN2CCN3CCCCC3C2)cc1Cl
CCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
CN(CCc1ccc(Cl)c(Cl)c1)C1CN2CCC1CC2 |TLB:1:12:16.15:18.19,(9.5,-4.98,;9.5,-3.44,;10.82,-2.67,;12.17,-3.44,;12.17,-4.98,;13.49,-5.74,;13.51,-7.28,;12.17,-8.06,;12.16,-9.6,;10.82,-7.29,;9.5,-8.05,;10.82,-5.75,;9.19,-2.05,;9.99,-.91,;8.45,.02,;6.74,-.75,;5.95,-1.97,;7.61,-1.1,;7.61,.28,;8.44,1.11,)|
Clc1ccc(CCN2CCN3CCC[C@H]3C2)cc1Cl
Clc1ccc(CCN2CCCNCC2)cc1Cl
CN1CCCN(CCc2ccc(Cl)c(Cl)c2)CC1
Clc1ccc(CCN2CCN3CCC2CC3)cc1Cl |THB:6:7:12.11:14.15,(12.59,-10.86,;12.58,-9.31,;13.91,-8.54,;13.91,-6.98,;12.58,-6.21,;12.59,-4.67,;11.27,-3.87,;11.31,-2.33,;12.63,-1.56,;12.1,-.08,;10.59,-.36,;10.31,1.15,;9.44,-.11,;9.73,-1.62,;8.56,-2.62,;9.08,-1.19,;11.23,-6.99,;11.23,-8.54,;9.88,-9.34,)|
Clc1ccc(CCN2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)cc1Cl
CCCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
CCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Clc1cc2CCC(Cc2cc1Cl)NCCN1CCCC1
Clc1ccc(CCNC2CN3CCC2CC3)cc1Cl |TLB:7:8:12.11:14.15,(12.16,-9.6,;12.17,-8.06,;13.51,-7.28,;13.49,-5.74,;12.17,-4.98,;12.17,-3.44,;10.82,-2.67,;9.5,-3.44,;9.19,-2.05,;9.99,-.91,;8.45,.02,;6.74,-.75,;5.95,-1.97,;7.61,-1.1,;7.61,.28,;8.44,1.11,;10.82,-5.75,;10.82,-7.29,;9.5,-8.05,)|
CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Clc1ccc(CCN2CCN3CCC[C@@H]3C2)cc1Cl
CN(CCN1CCCC1)CCc1ccc(Br)cc1
CN(CCN1CCCC1)Cc1cccc(Br)c1
CN(CCN1CCCC1)CCc1ccc(F)cc1
CN(CCN1CCCC1)Cc1ccccc1I
CN(CCN1CCCC1)CCc1ccc(I)cc1
CN(CCN1CCCC1)CCc1cccc(Br)c1
CN(CCN1CCCC1)Cc1ccc(I)cc1
CN(CCN1CCCC1)Cc1cccc(I)c1
CN(CCN1CCCC1)CCc1cccc(I)c1
CN(CCN1CCCC1)CCc1cccc(F)c1
C1CCN(CC1)C1(CCCCCC1)c1cc2ccccc2s1
C1CCN(C1)C1(CCCC1)c1cc2ccccc2s1
NC1(CCCCCC1)c1cc2ccccc2s1
NC1(CCCCC1)c1cc2ccccc2s1
C1CCC(C1)(N1CCCCCC1)c1cc2ccccc2s1
C1CCC(C1)(N1CCCCC1)c1cc2ccccc2s1
C1CCC(CC1)(N1CCCCCC1)c1cc2ccccc2s1
C1CCN(C1)C1(CCCCCC1)c1cc2ccccc2s1
C1CCN(C1)C1(CCCCC1)c1cc2ccccc2s1
C1CCCN(CC1)C1(CCCCCC1)c1cc2ccccc2s1
NC1(CCCC1)c1cc2ccccc2s1
Clc1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
O=C(OCCCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
COc1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1
COc1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
O=C(OCCCCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
Ic1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1
Clc1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCN(CC1)c1ccccc1
CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
Ic1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
O=C(OCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccc(cc1)C#N
Clc1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1
O=C(OCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
O=C(OCCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
O=C(OCCN1CCN(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
O=C(OCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
[O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCN(CC1)c1ccccc1
Ic1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCN(CC1)c1ccccc1
[O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1
CCN(CC)CCOCOC(=O)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CCN(CC)CCOCCN(C)CC1(CCCC1)c1ccccc1
CCN(CC)CCOCCOCC1(CCCC1)c1ccccc1
CCN(CC)CCOCCNC(=O)C1(CCCC1)c1ccccc1
CCN(CC)CCOCCOC(=O)C(C)c1ccccc1
Clc1ccc(cc1Cl)C1(CCCCC1)C(=O)OCOCCN1CCCC1
CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccc(OC)cc1
CCN(CC)CCOCNC(=O)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CCN(CC)CCOCCOC(=O)C1(CCCCC1)c1ccccc1
CCN(CC)CCOCCNCC1(CCCC1)c1ccccc1
Clc1ccc(cc1Cl)C1(CCCCC1)C(=O)NCOCCN1CCOCC1
CCN(CC)CCOCCOC(=O)C1(CC1)c1ccccc1
Clc1ccc(cc1Cl)C1(CCCCC1)C(=O)OCOCCN1CCOCC1
CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccc(Cl)cc1
CN(CCN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1)CCN(C)CCN1CCCC1
CN(CCN(C)Cc1ccc(Cl)c(Cl)c1)CCN1CCCC1
CN(CCCN(C)CCc1ccc(Cl)c(Cl)c1)CCCN1CCCC1
CN(CCCN1CCCC1)CCN(C)Cc1ccc(Cl)c(Cl)c1
CN(CCN(C)CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1
CN(CCCCN1CCCC1)CCCN(C)CCc1ccc(Cl)c(Cl)c1
CN(CCN(C)CCN1CCCC1)CCN(C)CCc1ccc(Cl)c(Cl)c1
NCCNCCNCCc1ccc(Cl)c(Cl)c1
CN(CCCCN(C)CCc1ccc(Cl)c(Cl)c1)CCCCN1CCCC1
NCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Clc1ccc(CCN2CCCC2)cc1Cl
CN(CCCN(C)Cc1ccc(Cl)c(Cl)c1)CCN1CCCC1
Clc1ccc(CCNCCNCCN2CCCC2)cc1Cl
C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2 |TLB:9:10:1:15.13.14|
CCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:1:2:7:17.11.10,THB:16:17:7:2.4.3|
CCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
CCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15,THB:21:22:12:7.9.8|
CCCCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:5:6:11:21.15.14,THB:20:21:11:6.8.7|
CCCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:8:9:14:24.18.17,THB:23:24:14:9.11.10|
CCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2 |TLB:9:10:1:15.13.14|
CCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:5:6:11:21.15.14,THB:20:21:11:6.8.7|
CCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15,THB:21:22:12:7.9.8|
CCCCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:8:9:14:24.18.17,THB:23:24:14:9.11.10|
CCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:1:2:7:17.11.10,THB:16:17:7:2.4.3|
CCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4|
C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
CCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4|
CCCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:7:8:13:23.17.16,THB:22:23:13:8.10.9|
CCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:4:5:10:20.14.13,THB:19:20:10:5.7.6|
CCCCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:9:10:15:25.19.18,THB:24:25:15:10.12.11|
C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
CCCCCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:9:10:15:25.19.18,THB:24:25:15:10.12.11|
CCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:7:8:13:23.17.16,THB:22:23:13:8.10.9|
O=C1C(CCc2ccccc12)C1CCN(Cc2ccccc2)CC1
Clc1ccc2C(=O)C3(CCN(CCc4ccccc4)CC3)CCc2c1
Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)CCc1ccccc1C2=O
Fc1ccc(CN2CCC(CC2)C2CCc3ccccc3C2=O)cc1
CN1CCC2(CC1)CCc1ccccc1C2=O
Fc1ccc(CN2CCC3(CC2)CCc2ccccc2C3=O)cc1
FC(F)(F)c1ccc(CN2CCC3(CC2)CCc2ccccc2C3=O)cc1
OC1c2ccccc2CCC11CCN(CCc2ccccc2)CC1
Cc1ccc(CN2CCC(CC2)C2CCc3ccccc3C2=O)cc1
Fc1ccc2C(=O)C(CCc2c1)C1CCN(CCc2ccccc2)CC1
COc1ccc2C(=O)C(CCc2c1)C1CCN(Cc2ccccc2)CC1
COc1ccc2C(=O)C(CCc2c1)C1CCN(CCc2ccccc2)CC1
Fc1cc(F)c2C(=O)C3(CCN(CCc4ccccc4)CC3)CCc2c1
Clc1ccc2C(=O)C(CCc2c1)C1CCN(CCc2ccccc2)CC1
O=C1C(CCc2ccccc12)C1CCN(CC2CC2)CC1
CC(C1CC1)N1CCC(CC1)C1CCc2ccccc2C1=O
OC1CCc2ccccc2C11CCN(CCc2ccccc2)CC1
COc1ccc(CN2CCC3(CC2)CCc2ccccc2C3=O)cc1
O=C1c2ccccc2CCC11CCN(Cc2ccc3ccccc3c2)CC1
FC(F)(F)c1ccc(CN2CCC(CC2)C2CCc3ccccc3C2=O)cc1
[O-][N+](=O)c1ccc(CN2CCC3(CC2)CCc2ccccc2C3=O)cc1
O=C1c2ccccc2CCC11CCN(CC2CCCCC2)CC1
Fc1ccc2C(=O)C(CCc2c1)C1CCN(Cc2ccccc2)CC1
Fc1cccc2C(=O)C(CCc12)C1CCN(CCc2ccccc2)CC1
CC(C)(C)c1ccc(CN2CCC3(CC2)CCc2ccccc2C3=O)cc1
O=C1CCc2ccccc2C11CCN(CCc2ccccc2)CC1
O=C1C(CCc2ccccc12)C1CCN(CCc2ccccc2)CC1
CC(C)(C)c1ccc(CN2CCC(CC2)C2CCc3ccccc3C2=O)cc1
O=C1c2ccccc2CCC11CCN(CCc2ccccc2)CC1
Cn1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
COc1ccccc1N1CCN(CCCCc2c[nH]c3ccccc23)CC1
Fc1ccc(cc1)N1CCN(CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)CC1
C(CCc1cn(-c2nccs2)c2ccccc12)CN1CCC2(CC1)OCc1ccccc21
CC(=O)n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
C(CCc1cn(-c2cccs2)c2ccccc12)CN1CCC2(CC1)OCc1ccccc21
C(CCc1c[nH]c2ccccc12)CN1CCC(CC1)c1ccccc1
Fc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccccc23)CC1
Fc1ccc(cc1)C1=CCN(CCCCc2c[nH]c3ccccc23)CC1 |t:8|
COc1ccccc1C1CCN(CCCCc2c[nH]c3ccccc23)CC1
Fc1ccc(cc1)-n1cc(CCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
C(CCc1cn(-c2ccsc2)c2ccccc12)CN1CCC2(CC1)OCc1ccccc21
Fc1ccc(cc1)C1CCN(CCCCc2c[nH]c3ccccc23)CC1
Fc1ccc(cc1)-n1cc(CN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Fc1ccc(cc1)-n1cc(CCCCN2CCC(CC2)c2ccccc2)c2ccccc12
Fc1ccc(cc1)-n1cc(CCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
C(CCc1c[nH]c2ccccc12)CN1CCC2(CC1)OCc1ccccc21
C(CCc1cn(Cc2ccccc2)c2ccccc12)CN1CCC2(CC1)OCc1ccccc21
C(CCc1cn(-c2ccncc2)c2ccccc12)CN1CCC2(CC1)OCc1ccccc21
Fc1ccc(cc1)-n1cc(CCCCN2CCN(CC2)c2ccccc2)c2ccccc12
Fc1ccc(cc1)C1CCN(CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)CC1
Cc1ccc(cc1)S(=O)(=O)n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
CC1C2Cc3ccccc3C1(C)CCN2CC=C |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
CC1C2Cc3ccc(N)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccc(cc3C1(C)CCN2Cc1ccccc1)N(C)C |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
CC1C2Cc3ccc(NC(C)=O)cc3C1(C)CCN2Cc1ccccc1 |TLB:19:18:1:13.4.3,12:13:1:18.16.17|
CC(C)CCN1CCC2(C)C(C)C1Cc1ccc(F)cc21 |TLB:4:5:10:20.14.13,THB:19:20:10:5.7.6|
CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
CC1C2Cc3ccc(I)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CC1C2Cc3ccccc3C1(C)CCN2C |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
CC1C2Cc3ccc(NS(C)(=O)=O)cc3C1(C)CCN2Cc1ccccc1 |TLB:20:19:1:14.4.3,13:14:1:19.17.18|
CC1C2Cc3ccc(Br)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C |THB:16:15:1:4.10.3|
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
COc1cccc2C(CCCN3CCN(Cc4ccccc4)CC3)CCCc12
COc1ccc2CCCC(CCCN3CCNCC3)c2c1
COc1cccc2C(CCCN3CCN(Cc4ccccc4)CC3)=CCCc12 |c:25|
COc1cccc2C(CCCN3CCNCC3)CCCc12
C(CC1CCCc2ccccc12)CN1CCN(CC1)C1=NCCCC1 |t:22|
C(CN1CCN(Cc2ccccc2)CC1)CC1=CCCc2ccccc12 |t:18|
COc1cccc2C(CCCCN3CCN(CC3)C3=NCCCC3)CCCc12 |t:19|
COc1cccc2C(CCCNCCC3CCCc4ccccc34)CCCc12
COc1cccc2C(CCCNCCNc3ccccc3)CCCc12
COc1ccc2CCCC(CCCN3CCN(CC3)C3=NCCCC3)c2c1 |t:20|
COc1cccc2C(CCCNCCCc3ccccc3)CCCc12
COc1cccc2C(CCCNCCc3ccccc3)CCCc12
C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
C(CN1CCN(CCCc2ccccc2)CC1)Cc1ccccc1
CN(CCCc1ccccc1)CCN(C)CCOC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCNCC1)c1ccc(F)cc1
C(CN1CCNCC1)Cc1ccccc1
C(CN1CCNCC1)OC(c1ccccc1)c1ccccc1
C(CNC1CCCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1
CNCCN(C)CCOC(c1ccccc1)c1ccccc1
C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1
C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1
C(CN1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1CCCc1ccccc1
C[C@@H]1CN(CCCc2ccccc2)[C@@H](C)CN1
NCCCCNCCOC(c1ccccc1)c1ccccc1
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1
C[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
C(CN1CCCCC(C1)NCCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
C(CCNCCOC(c1ccccc1)c1ccccc1)CNCCCc1ccccc1
C[C@H]1CN(CCCc2ccccc2)[C@H](C)CN1CCCc1ccccc1
C(CN1CCCCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
CCc1cccc(NC(N)=Nc2cc(cc(CC)c2Cl)C(F)(F)F)c1 |w:10.10|
CCc1cccc(NC(N)=Nc2ccccc2C)c1 |w:10.10|
CCc1cccc(c1)N=C(N)Nc1ccc(Cl)cc1 |w:8.8|
CCc1cccc(c1)N(C)C(N)=Nc1cc(Br)cc(SC)c1Br |w:12.13|
CCc1cccc(NC(N)=Nc2cc(cc(CC)c2F)C(F)(F)F)c1 |w:10.10|
CCc1cccc(NC(N)=Nc2cccc(Br)c2)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1cc(CC)cc(SC)c1Cl |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1ccccc1Cl |w:12.13|
CCc1cccc(NC(N)=Nc2cc(CC)cc(CC)c2Cl)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1cc(Br)cc(OC(F)(F)F)c1Br |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(cc(CC)c1Cl)C(F)(F)F |w:12.13|
CCc1cccc(NC(N)=Nc2cc(C)cc(CC)c2Cl)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1ccc(Cl)c(Cl)c1 |w:12.13|
CCc1cccc(NC(N)=Nc2ccccc2CC)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1cc(CC)cc(c1Cl)C(F)(F)F |w:12.13|
CCc1cccc(NC(N)=Nc2ccccc2Cl)c1 |w:10.10|
CCc1cccc(NC(N)=Nc2cc(CC)cc(CC)c2Br)c1 |w:10.10|
CCc1cccc(NC(N)=Nc2cc(CC)cc(CC)c2F)c1 |w:10.10|
CCc1cccc(NC(N)=Nc2ccccc2C(C)C)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1cc(SC)cc(SC)c1Br |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1ccccc1Br |w:12.13|
CCc1cccc(NC(N)=Nc2cc(Cl)ccc2Cl)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1cc(CC)cc(CC)c1Cl |w:12.13|
CCc1cccc(c1)N=C(N)N(C)c1cc(CC)ccc1Cl |w:8.8|
CCc1cccc(NC(N)=Nc2cccc(Cl)c2)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1cc(Cl)cc(c1Cl)C(F)(F)F |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(CC)cc(CC)c1F |w:12.13|
CCc1cccc(NC(N)=Nc2cc(Cl)cc(Cl)c2)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1cc(SC)cc(SC)c1Cl |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(CC)cc(c1Br)C(F)(F)F |w:12.13|
CCc1cccc(NC(N)=Nc2cc(Br)cc(CC)c2Br)c1 |w:10.10|
CCc1cccc(c1)N(C)C(=N)N(C)c1cc(Cl)ccc1Cl
CCc1cccc(c1)N(C)C(N)=Nc1cc(SC)cc(c1Cl)C(F)(F)F |w:12.13|
CCc1cccc(c1)N=C(N)N(C)c1cc(Cl)ccc1Cl |w:8.8|
CCc1cccc(c1)N(C)C(N)=Nc1cc(cc(CC)c1Br)C(F)(F)F |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(CC)cc(OC(F)(F)F)c1Br |w:12.13|
CCc1cccc(NC(N)=Nc2ccc(Cl)cc2Cl)c1 |w:10.10|
CCc1cccc(c1)N(C)C(=N)N(C)c1cc(Br)ccc1Br
CCc1cccc(c1)N(C)C(N)=Nc1ccc(Cl)cc1 |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1ccccc1I |w:12.13|
CCc1cccc(NC(N)=Nc2ccc(Cl)c(Cl)c2)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1ccccc1 |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(Br)cc(c1Br)S(C)(=O)=O |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cccc(Cl)c1 |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(Cl)cc(SC)c1Cl |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(Br)cc(c1Br)C(F)(F)F |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cccc(SC)c1 |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1ccccc1C(C)C |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(Br)cc(c1Br)S(C)=O |w:12.13|
CCc1cccc(c1)N(C)C(=N)N(C)c1cc(CC)ccc1Cl
CCc1cccc(c1)N(C)C(N)=Nc1cc(Br)cc(CC)c1Br |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(CC)cc(SC)c1Br |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(cc(CC)c1F)C(F)(F)F |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(C)cc(CC)c1Cl |w:12.13|
CCc1cccc(NC(N)=Nc2cc(SC)cc(CC)c2Cl)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1cc(Cl)ccc1Cl |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cccc(Cl)c1Cl |w:12.13|
CCc1cccc(NC(N)=Nc2c(Cl)cccc2Cl)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1cc(SC)cc(CC)c1Cl |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(CC)cc(CC)c1Br |w:12.13|
CCc1cccc(NC(N)=Nc2cccc(Cl)c2Cl)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1cccc(Br)c1 |w:12.13|
CCc1cccc(NC(N)=Nc2cc(CC)cc(CC)c2)c1 |w:10.10|
CCc1cccc(NC(N)=Nc2cc(cc(CC)c2Br)C(F)(F)F)c1 |w:10.10|
CCc1cccc(c1)N(C)C(N)=Nc1cc(SC)cc(Br)c1Cl |w:12.13|
CCc1cccc(c1)N(C)C(N)=Nc1cc(SC)cc(c1Br)C(F)(F)F |w:12.13|
CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1CCN=C=S
CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1CCCCCCN=C=S
CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1CCCN=C=S
O=C(NCCN1CCN(CC1)C1CCCc2ccccc12)c1ccccc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12
CCCN(CCC)C1CCc2cccc(O)c2C1
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)C |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCC1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNC1CCCCC1 |TLB:16:15:1:10.4.3|
CCN(CC)CCN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 |TLB:16:15:1:10.4.3|
CCN(CCN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:4:5:10:20.14.13|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNCc1ccccc1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1ccccc1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCOCC1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCC1 |TLB:16:15:1:10.4.3|
C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1 |r,t:7|
C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@@H]1CNCCO1 |r,t:7|
COc1ccccc1N1CCN(Cc2cn3c(n2)c2ccccc2[nH]c3=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1 |r,c:16,22|
COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1 |c:17|
COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:16|
Oc1nc2ccccc2c2ncc(CN3CCN(CC3)c3ccccc3Cl)n12
COc1ccccc1N1CCN(Cc2cnc3c4ccccc4nc(O)n23)CC1
COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1
CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|
CC(C)OC(=O)[C@@]1(C[C@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
CCCOC(=O)[C@@]1(C[C@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
OC(=O)[C@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
CC(C)OC(=O)[C@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
CCOC(=O)[C@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
CC(C)OC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
CCCOC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
CC(C)OC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
CCCOC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
COC(=O)[C@@]1(C[C@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
COC(=O)[C@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
CCOC(=O)[C@@]1(C[C@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
CCCOC(=O)[C@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
CCOC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
CCOC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
C1CC2(CC1c1ccccc21)N1CCCCC1 |THB:9:10:3:1.0,6:5:3:1.0|
C1CCN(CC1)C12CCCCC1c1ccccc21
C1CCN(CC1)C12CCC(CC1)c1ccccc21
Oc1c[nH]c(=O)[nH]1
C1CCc2cnccc2C1
CCCNC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1
CCCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
CCCCCCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)N(CCC)CCC
CCCNC(CCC)Cc1ccc(OC)c(OCCc2ccccc2)c1
CCCCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
CCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
CCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)N(CCC)CCC
COc1ccc(CC(N)CCC(C)C)cc1OCCc1ccccc1
COc1ccc(CC(C)N)cc1OCCc1ccccc1
CCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
CCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
COc1ccc(CCN2CCCC2)cc1OCCc1ccccc1
CCCNC(C)Cc1ccc(OC)c(OCCc2ccccc2)c1
CCCC(N)(CCC)Cc1ccc(OC)c(OCCc2ccccc2)c1
CCCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)N(CCC)CCC
CCCN(CCC)C(CC)Cc1ccc(OC)c(OCCc2ccccc2)c1
CCCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
COc1ccc(CCN)cc1OCCc1ccccc1
CCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
CCCCCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)N(CCC)CCC
CCCCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
CCCNCCc1ccc(OC)c(OCCc2ccccc2)c1
CCCCCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
CCCCCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
CCCNC(CC)Cc1ccc(OC)c(OCCc2ccccc2)c1
CCCCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)N(CCC)CCC
CCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)N(CCC)CCC
CCCN(CCC)C(C)Cc1ccc(OC)c(OCCc2ccccc2)c1
C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)cc(Br)c23)C[C@@H](C)N1
COC(=O)C[C@H]1Cc2ccccc2[C@@H](CCN2CCCCC2)O1 |r|
COC(=O)C[C@H]1Cc2ccccc2[C@@H](CCN2CCC(CC2)c2ccccc2)O1 |r|
CCCCCCCCN1CCC2(CC1)O[C@@H](CCO)Cc1ccccc21 |r|
CCCCCCCCN1CCC2(CC1)O[C@H](CCO)Cc1ccccc21 |r|
FCC[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 |r|
FCC[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 |r|
Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
CCCN(CCC)CCc1ccc(OC)cc1OCCc1ccccc1
CCCN(CCC)CCc1ccc(OC)c2OCc3ccccc3-c12
CCCN(CCC)CCc1cccc(OC)c1OCCCc1ccccc1
CCCN(CCC)CCc1ccc(OCCc2ccccc2)c(OC)c1
COc1ccccc1N1CCN(CCc2cc(Cl)ccc2OCCc2ccccc2)CC1
Clc1ccc(OCCc2ccccc2)c(CCCN2CCN(CC2)c2ccccn2)c1
CCCN(CCC)CCc1cc(Cl)cc(Cl)c1OCCc1ccccc1
CCCN(CCC)CCc1cc(Cl)ccc1OCCCc1ccccc1
CCCN(CCC)CCc1ccc(O)c2OCc3ccccc3-c12
CCCN(CCC)CCc1cc(Br)cc(Br)c1OCCc1ccccc1
CCCN(CCC)CCc1ccc(Cl)cc1OCCc1ccccc1
CCCN(CCC)CCc1ccc(OC)c(OCCCc2ccccc2)c1
CCCN(CCC)CCc1cc(Br)ccc1OCCc1ccccc1
CCCN(CCC)CCc1cc(OC)ccc1OCCc1ccccc1
COc1ccc(CCN2CCN(CC2)c2ccccn2)cc1OCCc1ccccc1
CCCN(CCC)CCc1cc(Br)ccc1OCCCc1ccccc1
COc1cccc(CCN2CCN(CC2)c2ccccn2)c1OCCc1ccccc1
Clc1ccc(OCCc2ccccc2)c(CCN2CCCC2)c1
CCCN(CCC)CCc1cc(F)ccc1OCCc1ccccc1
CCCN(CCC)CCc1cc(Cl)ccc1OCc1ccccc1
CCCN(CCC)CCc1ccc(OC)c(OCc2ccccc2)c1
CCCN(CCC(C)C)CCc1ccc(OC)c(OCCc2ccccc2)c1
CCCN(CCC)CCc1ccc(OC)c(OCCc2cccs2)c1
CCCN(CCC)CCc1ccc(O)c(OCCc2ccccc2)c1
COc1ccccc1N1CCN(CCCc2cc(Cl)ccc2OCCc2ccccc2)CC1
Clc1ccc(OCCc2ccccc2)c(CCN2CCOCC2)c1
CCCN(CCC)CCCc1ccc(OC)c(OCCc2ccccc2)c1
COc1cccc(CCN2CCCC2)c1OCCc1ccccc1
CCCN(CCC)CCc1ccc(OC)c(OCCc2ccc(OC)c(OC)c2)c1
COc1cccc(CCN2CCOCC2)c1OCCc1ccccc1
CCCN(CCC)CCCc1cccc(OC)c1OCCc1ccccc1
CCCN(CCC)CCc1ccccc1OCCc1ccccc1
Clc1ccc(OCCc2ccccc2)c(CCCN2CCN(CC2)c2ccccc2)c1
COc1ccc(CCN2CCOCC2)cc1OCCc1ccccc1
COc1ccc(CCN2CCN(CC2)c2ccccc2)cc1OCCc1ccccc1
CCCN(CCC)CCCc1cc(Br)ccc1OCCc1ccccc1
Clc1ccc(OCCc2ccccc2)c(CCN2CCN(CC2)c2ccccn2)c1
Clc1ccc(OCCc2ccccc2)c(CCCN2CCN(CC2)c2ncccn2)c1
CCCCCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
CCCN(CCC)CCCCc1cc(Cl)ccc1OCCc1ccccc1
CCCN(CCC)CCc1cccc(F)c1OCCc1ccccc1
CCCN(CCC)CCc1cccc(OC)c1OCCc1ccccc1
COc1ccc(CCN2CCN(CC2)c2ccccc2OC)cc1OCCc1ccccc1
CCCN(CCCO)CCc1ccc(OC)c(OCCc2ccccc2)c1
CCCN(CCC)CCc1ccc(OC)c(OCCc2ccc(OC)cc2)c1
CCCN(CCC)CCc1cccc(OC)c1OCc1ccccc1
CCCN(CCC)CCc1ccc(OCCc2ccccc2)cc1OC
Clc1ccc(OCCc2ccccc2)c(CCN2CCN(CC2)c2ncccn2)c1
Cc1cccc(n1)N1CCN(CCCc2cc(Cl)ccc2OCCc2ccccc2)CC1
CCCN(CCC)CCc1cc(Cl)ccc1OCCc1ccccc1
CCCN(CCC)CCc1ccc(OC)c(OCCc2cccc(Cl)c2)c1
CCCN(CCC)CCc1ccc(OC)c(OCCc2ccc(F)cc2)c1
COc1cccc(CCN2CCN(CC2)c2ccccc2)c1OCCc1ccccc1
CCCN(CCC)CCc1ccc(OCCc2ccccc2)c(O)c1
COc1cccc2n(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c(=O)ccc12
COc1cccc2N(CCCN3CCN(CC3)c3cccc(c3)[N+]([O-])=O)C(=O)CCc12
COc1cccc2N(CCCN3CCN(CC3)c3cccc(Br)c3)C(=O)CCc12
COc1cccc2N(CCCN3CCN(CC3)c3ccccc3Cl)C(=O)CCc12
COc1cccc2n(CCCN3CCN(CC3)c3cccc(Cl)c3)c(=O)ccc12
COc1cccc2n(CCCN3CCN(CC3)c3cccc(Br)c3)c(=O)ccc12
COc1cccc2N(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)C(=O)CCc12
CC1C2N(CC=C)CCC3c4cc(O)ccc4CC123
[O-][N+](=O)c1cccc(c1)N1CCN(CCCN2C(=O)CCc3c(Cl)cccc23)CC1
COc1cccc(c1)N1CCN(CC(=O)NC2c3c(CC2(C)C)c(C)cc(C)c3O)CC1
COc1cccc2N(CCCN3CCN(CC3)c3cccc(O)c3)C(=O)CCc12
OC(CCC(N1CCNCC1)c1ccc(F)cn1)c1ccc(F)cc1
Oc1ccc2ccc(=O)n(CCCN3CCN(CC3)c3ccc(F)cc3)c2c1
Oc1cccc(c1)N1CCN(CCCN2C(=O)CCc3c(Cl)cccc23)CC1
Nc1cccc(c1)N1CCN(CCCN2C(=O)CCc3c(Cl)cccc23)CC1
COc1cccc(c1)N1CCN(CCCN2C(=O)CCc3c(Cl)cccc23)CC1
COc1cccc2CCC(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3)c12
CCOc1cccc2N(CCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)CCc12
CCCOc1cccc(c1)N1CCN(CCCN2C(=O)CCc3c(Cl)cccc23)CC1
CC(=O)Nc1cccc(c1)N1CCN(CCCN2C(=O)CCc3c(Cl)cccc23)CC1
COc1cccc2N(CCCN3CCN(CC3)c3ccc(Cl)cc3)C(=O)CCc12
Clc1cccc(c1)N1CCN(CCCn2c3ccccc3ccc2=O)CC1
COc1cccc2N(CCCN3CCN(CC3)c3cccc(N)c3)C(=O)CCc12
O=C(Oc1ccc2N(CCCN3CCN(CC3)c3ccccc3)C(=O)CCc2c1)c1ccccc1
COc1cccc2N(CCCN3CCN(CC3)c3cccc(c3)C#N)C(=O)CCc12
COc1ccc2CCC(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3)c2c1
COc1ccc2N(CCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)CCc2c1
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
O=C1NCN(c2ccccc2)C11CCN(Cc2cccc(Oc3ccccc3)c2)CC1
CCOc1ccc(CCOC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
C(CC1CC2OC(Cc3ccccc23)O1)NCc1ccccc1 |TLB:1:2:5:7.13.8,THB:12:13:14.2.3:5|
NCCC1CC2OC(Cc3ccccc23)O1 |THB:13:14:15.3.4:6,2:3:6:8.14.9|
CN(C)CCC1CC2OC(Cc3ccccc23)O1 |THB:15:16:17.5.6:8,4:5:8:10.16.11|
C(CN(Cc1ccccc1)Cc1ccccc1)C1CC2OC(Cc3ccccc23)O1 |THB:27:28:29.17.18:20,0:17:20:22.28.23|
CNCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
N#CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
CCOC(=O)CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
CCOC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
N#CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
O=CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
CCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
OCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
N#CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
CCOC(=O)C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
CNC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
C(C1Cc2ccccc2C1)N1CCN(CC1)c1ccc2OCCOc2c1
CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1
C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
C[C@H](CN1CCC(C)CC1)Oc1ccc(Cl)cc1
C[C@@H](CCOc1ccc(Cl)cc1)N1CCC(C)CC1
C[C@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
C[C@@H](CCN1CCC(C)CC1)Oc1ccc(Cl)cc1
CC1CCN(CCOc2ccc(Cl)cc2)CC1
C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1
C[C@H](COc1ccc(Cl)cc1)CN1CCC(C)CC1
CC1CCN(CCCOc2ccc(Cl)cc2)CC1
C[C@@H](CN1CCC(C)CC1)Oc1ccc(Cl)cc1
C[C@H](CCN1CCC(C)CC1)Oc1ccc(Cl)cc1
C[C@H](CCOc1ccc(Cl)cc1)N1CCC(C)CC1
C[C@@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
C[C@@H](COc1ccc(Cl)cc1)CN1CCC(C)CC1
C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1
C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
C[C@@H]1CN(CCCn2c3ccccc3c3cc(N)ccc23)C[C@@H](C)N1
COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Fc1ccc(cc1)N(CCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCNCC1)c1ccc(F)cc1
C[C@@H]1CN(CCCn2c3ccccc3c3cc(ccc23)[N+]([O-])=O)C[C@@H](C)N1
C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc23)C[C@@H](C)N1
C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1
C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1
C[C@@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1CCCc1ccccc1
OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
C[C@@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1C
Fc1ccc(cc1)N(CCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
O=C1NC(C(=O)N1CCCCCN1CCC(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
O=C1C(CN2CCC(Cc3ccccc3)CC2)CCc2ccccc12
O=C1C(CN2CCN(Cc3ccccc3)CC2)CCc2ccccc12
COc1cccc2CCC(CN3CCC(Cc4ccccc4)CC3)Cc12
C(C1COc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
O=C1CC(CN2CCN(Cc3ccccc3)CC2)Cc2ccccc12
C(C1CCCc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
C(C1CCc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
O=C1C(CN2CCC(Cc3ccccc3)CC2)CCCc2ccccc12
C(C1COc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
O=c1c(CN2CCN(Cc3ccccc3)CC2)coc2ccccc12
C(C1Cc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
COc1ccc2CCC(CN3CCC(Cc4ccccc4)CC3)Cc2c1
O=c1c(CN2CCC(Cc3ccccc3)CC2)coc2ccccc12
O=c1cc(CN2CCC(Cc3ccccc3)CC2)oc2ccccc12
C(C1CCc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
COc1ccc2CC(CN3CCC(Cc4ccccc4)CC3)CCc2c1
C(C1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
O=C1C(CN2CCC(Cc3ccccc3)CC2)COc2ccccc12
O=c1cc(CN2CCN(Cc3ccccc3)CC2)oc2ccccc12
O=C1CC(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc12
O=C1CC(CN2CCC(Cc3ccccc3)CC2)Oc2ccccc12
C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
C(CN1CCC(Cc2ccccc2)CC1)Cc1ccccc1
COc1cccc2CC(CN3CCC(Cc4ccccc4)CC3)CCc12
O=C1CC(CN2CCN(Cc3ccccc3)CC2)Oc2ccccc12
O=C1C(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc12
O=C1C(CN2CCN(Cc3ccccc3)CC2)COc2ccccc12
COc1ccc2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)c2c1
CCN(CC)CCOc1ccc(cc1)C(O)(Cc1ccc(Cl)cc1)c1ccc(C)cc1
OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc23)CC1 |c:18|
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
CCN(C\C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1
CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC
CN(C1CCN(CCCCOc2ccccc2)C1)c1nc2ccccc2s1
CC[C@H]1CC2C[C@H]3C4Nc5ccc(OC)cc5C4CCN(C2)C13 |THB:7:6:20.21:2.3,1:2:20.21:6.5,19:20:6.5:2.3,3:4:22:7.17.18.19|
N=C(NCCSC(c1ccccc1)c1ccccc1)NCCc1cnc[nH]1
CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3
C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1
CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:9|
C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Clc1ccccc1CNC[C@H]1CC[C@H](CCNc2ccccc2Cl)CC1 |wU:10.10,wD:13.14,(3.57,-2.64,;3.57,-1.1,;2.24,-.33,;2.24,1.21,;3.57,2,;4.91,1.23,;4.91,-.33,;6.24,-1.1,;7.57,-.31,;8.91,-1.08,;10.24,-.31,;10.24,1.21,;11.58,1.98,;12.91,1.21,;14.24,1.98,;15.59,1.21,;16.92,1.98,;18.25,1.21,;18.23,-.33,;19.56,-1.1,;20.91,-.33,;20.91,1.21,;19.58,1.98,;19.58,3.52,;12.91,-.33,;11.58,-1.1,)|
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:6|
OC(=O)c1ccc(CCN2CCN(C\C=C\c3ccc(Cl)cc3)CC2)cc1
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F
[H][C@@]1([#6])[#6]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:2:1:11.5.4:16.14.15,17:16:1:11.5.4,10:11:1:16.14.15|
CCCCCCCCCCCCC(CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
CCCCCCCCCCCCCN1C[C@H](C)O[C@H](C)C1
NC(NCc1ccccc1)=Nc1nc(cs1)-c1cc2ccccc2[nH]1 |w:10.11|
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CCC(C)CN1 |t:8|
CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C
CCN(CC)CCOc1ccc(cc1)C(\CC)=C(/CC)c1ccc(OCCN(CC)CC)cc1
CCCCN1CCC2(CCCc3ccccc23)CC1
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]11CCC(C)CN1
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C |r,c:33,t:18|
CC(C)[C@](CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@@]2(C)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |c:33,t:19|
COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1
CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12
C[C@@H]1C2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 |t:15|
COc1cc2CCN3Cc4c(CC3c2cc1OC)ccc(OC)c4OC
CC(C)[C@@](CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I
Fc1ccc2N(CC3(CCN(C\C=C\c4ccc(Cl)cc4)CC3)c2c1)C(=O)c1ccnc(Cl)c1
Fc1ccc2N(CC3(CCN(C\C=C\c4ccc(Cl)cc4)CC3)c2c1)C(=O)c1ccnc(F)c1
Fc1ccc2N(CC3(CCN(C\C=C\c4ccc(Cl)cc4)CC3)c2c1)C(=O)c1ccc(F)nc1
Fc1ccc(cc1)C(=O)N1CC2(CCN(C\C=C\c3ccc(Cl)cc3)CC2)c2cc(F)ccc12
FCCOC(=O)N1CC2(CCN(C\C=C\c3ccc(Cl)cc3)CC2)c2cc(F)ccc12
c1cc(ccc1/C=C/CN2CCC3(CC2)CN(c4c3cc(cc4)F)C(=O)c5ccc(nc5)Br)Cl
COc1ccc2c(CCCCN3CCC[C@@H](C)C3)cccc2c1
COc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1
COc1ccc2C(CCCCN3CCC(C)(C)CC3)CCCc2c1
COc1ccc2c(CCCCN3CCC[C@H](C)C3)cccc2c1
COc1ccc2C(CCCN3CCCCC3)CCCc2c1
COc1ccc2c(CCCCN3CCC(C)(C)CC3)cccc2c1
COc1ccc2C(CCCCN3CCCCC3(C)C)CCCc2c1
COc1ccc2c(CCCN3CCC(C)CC3)cccc2c1
COc1ccc2c(CCCCN3CCCCC3)cccc2c1
COc1ccc2c(CCCN3CCCCC3(C)C)cccc2c1
COc1ccc2c(CCCCN3CCCC[C@H]3C)cccc2c1
COc1ccc2c(CCCN3CCC[C@@H](C)C3)cccc2c1
COc1ccc2c(CCCN3CCC(C)(C)CC3)cccc2c1
COc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1
COc1ccc2c(CCCN3CCCCC3)cccc2c1
COc1ccc2C(CCCN3CCC(C)(C)CC3)CCCc2c1
COc1ccc2c(CCCCN3CCCC[C@@H]3C)cccc2c1
COc1ccc2c(CCCCN3CCCCC3(C)C)cccc2c1
COc1ccc2c(CCCN3CCC[C@H](C)C3)cccc2c1
COc1ccc2C(CCCCN3CCCCC3)CCCc2c1
COc1ccc2C(CCCN3CCCCC3(C)C)CCCc2c1
COc1ccc2c(CCCN3CCCC[C@@H]3C)cccc2c1
COc1ccc2C(CCCN3CCC(C)CC3)CCCc2c1
COc1ccc2c(CCCN3CCCC[C@H]3C)cccc2c1
C([C@H]1CNCCCN1Cc1ccccc1)c1ccccc1 |r|
C([C@@H]1CNCCCN1Cc1ccccc1)c1ccccc1 |r|
COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](Cc3ccccc3)C2)cc1 |r|
C([C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1)c1ccccc1 |r|
C([C@@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1)c1ccccc1 |r|
C(Cc1ccccc1)N1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
C(CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)Cc1ccccc1 |r|
C(CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)Cc1ccccc1 |r|
C(CCc1ccccc1)CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
OC(CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)c1ccccc1 |r|
OCC(N1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)c1ccccc1 |r|
OCC(N1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)c1ccccc1 |r|
CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(CCCCc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(CCCCc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(C)[C@@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(CCCC)[C@@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(CCCC)[C@H](Cc2ccccc2)C1 |r|
COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](C)C2)cc1 |r|
C[C@H]1CN(CCCCc2ccccc2)CCCN1Cc1ccccc1 |r|
C[C@@H]1CN(CCCCc2ccccc2)CCCN1Cc1ccccc1 |r|
CCCCN1CCCN(Cc2ccccc2)[C@H](C)C1 |r|
C[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
COc1ccc(CN2CCCN(CC3CCCCC3)C[C@@H]2C)cc1 |r|
C[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccc(Cl)cc1 |r|
CC(C)[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](C2)C(C)C)cc1 |r|
C(CCc1ccccc1)CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
OC(CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)c1ccccc1 |r|
CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6@H](-[#6]-c2ccccc2)-[#6]-1 |r|
CCCCN1CCCN(C)[C@H](Cc2ccccc2)C1 |r|
COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 |r|
CCCCN1CCCN(Cc2ccccc2)[C@@H](C)C1 |r|
C[C@@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 |r|
C(Cc1ccccc1)N1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
COc1ccc2CCN(CCCCc3ccccc3)CC(C=C)c2c1
Oc1ccc2CCN(CCCCc3ccccc3)CC(C=C)c2c1
COc1ccc2CCN(CCCCc3ccccc3)CC(CO)c2c1
CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Oc1ccc(N2CCNCC2)c2OCCOc12
CCCCN1CC2CCC(OCc3ccccc3)C1CN2Cc1ccccc1 |w:18.20,9.9,6.6,TLB:3:4:20.19:7.8.9,THB:21:20:7.8.9:5.4,TEB:10:9:20.19:5.4|
CO[C@@H]1CCC2CN(C)C1CN2Cc1ccccc1 |w:5.4,9.10,TLB:1:2:11.10:6.7,12:11:4.3.2:6.7,8:7:11.10:4.3.2|
CN1CC2CC[C@H](O)C1CN2Cc1ccccc1 |w:3.3,8.9,TLB:7:6:10.9:2.1,0:1:10.9:4.5.6,THB:11:10:4.5.6:2.1|
O[C@@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,4.3,TLB:0:1:17.16:5.6,18:17:3.2.1:5.6,7:6:17.16:3.2.1|
CN1CC2CC[C@@H](OCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,3.3,TLB:7:6:17.16:2.1,0:1:17.16:4.5.6,THB:18:17:4.5.6:2.1|
COC1(CCC2CN(C)C1CN2Cc1ccccc1)OC |w:5.4,9.10,TLB:12:11:4.3.2:6.7,8:7:11.10:4.3.2|
CCCCN1CC2CCC(OC)C1CN2Cc1ccccc1 |w:6.6,12.13,9.9,TLB:3:4:14.13:7.8.9,THB:15:14:7.8.9:5.4,TEB:10:9:14.13:5.4|
COC1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:16.18,2.1,5.4,TLB:19:18:4.3.2:6.7,8:7:18.17:4.3.2,TEB:1:2:18.17:6.7|
CCCCN1CC2CCC(O)C1CN2Cc1ccccc1 |w:6.6,11.12,9.9,TLB:3:4:13.12:7.8.9,THB:14:13:7.8.9:5.4,TEB:10:9:13.12:5.4|
O[C@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,4.3,TLB:0:1:17.16:5.6,18:17:3.2.1:5.6,7:6:17.16:3.2.1|
C(Cc1ccccc1)N1CC2CCC(OCc3ccccc3)C1CN2Cc1ccccc1 |w:22.25,13.14,10.11,TLB:0:8:24.23:11.12.13,THB:25:24:11.12.13:9.8,TEB:14:13:24.23:9.8|
CN1CC2CC[C@@H](O)C1CN2Cc1ccccc1 |w:3.3,8.9,TLB:7:6:10.9:2.1,0:1:10.9:4.5.6,THB:11:10:4.5.6:2.1|
CC1(C)CCCN(CCCCn2c3ccccc3c3ccccc23)C1
COc1cccc2c(CCCN3CCCC(C)(C)C3)cccc12
CC1(C)CCCN(CCCCCn2c3ccccc3c3ccccc23)C1
COc1ccc2cccc(CCCN3CCCC(C)(C)C3)c2c1
CC1(C)CCCN(CCCc2cccc3cc(O)ccc23)C1
COc1ccc2cccc(CCCN3CCN(CC3)C3CCCCC3)c2c1
C(CN1CCN(CC1)C1CCCCC1)Cn1c2ccccc2c2ccccc12
Oc1ccc2cccc(CCCN3CCN(CC3)C3CCCCC3)c2c1
Oc1ccc2c(CCCN3CCN(CC3)C3CCCCC3)cccc2c1
CC1(C)CCCN(CCCn2c3ccccc3c3ccccc23)C1
CC1(C)CCCN(CCCc2cccc3ccc(O)cc23)C1
COc1ccc2c(CCCN3CCN(CC3)C3CCCCC3)cccc2c1
CO[C@H]1CC[C@H]2CN(Cc3ccc(OC)cc3)[C@@H]1CN2Cc1ccccc1 |TLB:8:7:19.18:4.3.2,1:2:19.18:6.7|
COc1ccc(CN2C[C@H]3CC[C@@H](O)[C@@H]2CN3Cc2ccccc2)cc1 |TLB:6:7:16.15:10.11.12,13:12:16.15:8.7|
CO[C@H]1CC[C@@H]2CN(Cc3ccc(OC)cc3)[C@H]1CN2Cc1ccccc1 |TLB:8:7:19.18:4.3.2,1:2:19.18:6.7|
COc1ccc(CN2C[C@H]3CC[C@H](O)[C@@H]2CN3Cc2ccccc2)cc1 |TLB:6:7:16.15:10.11.12,13:12:16.15:8.7|
CO[C@@H]1CC[C@@H]2CN(Cc3ccc(OC)cc3)[C@H]1CN2Cc1ccccc1 |TLB:8:7:19.18:4.3.2,1:2:19.18:6.7|
COc1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]2CN3Cc2ccccc2)cc1 |TLB:6:7:16.15:10.11.12,13:12:16.15:8.7|
C(CN1CCN(Cc2ccccc2)CC1)Cc1ccccc1
Cc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1
[O-][N+](=O)c1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1
[O-][N+](=O)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1
COc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1
Ic1cccc(CN2CCN(CCCc3ccccc3)CC2)c1
[O-][N+](=O)c1ccccc1CN1CCN(CCCc2ccccc2)CC1
COc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1
Fc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1
Brc1ccccc1CN1CCN(CCCc2ccccc2)CC1
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
COc1cccc2[C@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12 |r,@:11,14,@@:17|
CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1 |w:11.12|
C(CN1CCCCC1)C1CCc2c1cnn2-c1ccccc1 |w:8.8|
COC1OC2(CCNCC2)c2cnn(c12)-c1ccccc1 |w:2.1|
CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O
O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
COc1ccc2CC(CN3CCN(CC3)c3ccccn3)CCc2c1
COc1cccc(c1)[C@@H]1CC[C@@H](CC1)NCCOc1ccccn1 |r,wU:8.8,11.15,(8.88,4.05,;10.22,3.28,;11.55,4.05,;11.55,5.59,;12.88,6.36,;14.22,5.6,;14.22,4.04,;12.88,3.28,;15.56,3.28,;15.56,1.74,;16.88,.97,;18.22,1.74,;18.22,3.28,;16.89,4.05,;19.55,.96,;20.88,1.73,;22.22,.96,;23.55,1.72,;24.88,.95,;26.21,1.72,;27.54,.96,;27.54,-.59,;26.2,-1.36,;24.87,-.59,)|
COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccn1 |t:9|
COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12 |r,wU:11.15,8.8,(8.56,-15.38,;9.89,-14.61,;9.89,-13.07,;8.56,-12.3,;8.56,-10.76,;9.89,-9.99,;11.22,-10.75,;11.23,-12.3,;12.56,-9.97,;13.89,-10.74,;15.22,-9.97,;15.22,-8.43,;13.88,-7.66,;12.55,-8.43,;16.55,-7.66,;17.88,-8.43,;19.21,-7.67,;19.22,-6.13,;17.89,-5.35,;16.54,-6.12,;20.56,-5.36,;20.55,-3.83,;21.88,-3.06,;23.22,-3.84,;23.22,-5.38,;24.54,-6.14,;24.54,-7.68,;23.21,-8.45,;21.88,-7.68,;21.88,-6.14,)|
COc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(-8.26,-19.66,;-9.59,-20.44,;-9.59,-21.97,;-10.92,-22.74,;-10.92,-24.29,;-9.58,-25.06,;-8.25,-24.29,;-8.25,-22.74,;-6.92,-21.96,;-5.59,-22.72,;-4.26,-21.96,;-4.26,-20.42,;-5.6,-19.65,;-6.93,-20.42,;-2.93,-19.65,;-1.6,-20.42,;-.27,-19.66,;-.26,-18.12,;-1.6,-17.34,;-2.94,-18.11,;1.07,-17.35,;1.07,-15.82,;2.4,-15.05,;3.74,-15.83,;3.73,-17.37,;2.4,-18.13,)|
COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,11.15,(.19,-28.28,;1.52,-27.51,;1.52,-25.97,;.19,-25.2,;.19,-23.65,;1.52,-22.88,;2.85,-23.65,;2.86,-25.2,;4.18,-22.87,;5.52,-23.63,;6.85,-22.87,;6.85,-21.33,;5.51,-20.56,;4.17,-21.33,;8.17,-20.56,;9.51,-21.33,;10.84,-20.57,;10.84,-19.03,;9.51,-18.25,;8.17,-19.02,;12.18,-18.26,;12.18,-16.73,;13.51,-15.96,;14.85,-16.74,;14.84,-18.28,;13.51,-19.04,)|
COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(8.9,-26.66,;10.23,-27.43,;11.56,-26.67,;11.56,-25.12,;12.89,-24.35,;14.23,-25.12,;14.23,-26.67,;12.9,-27.44,;15.56,-24.33,;16.89,-25.1,;18.22,-24.33,;18.22,-22.8,;16.88,-22.03,;15.55,-22.8,;19.55,-22.03,;20.88,-22.8,;22.21,-22.04,;22.22,-20.5,;20.88,-19.72,;19.54,-20.49,;23.55,-19.73,;23.55,-18.2,;24.88,-17.43,;26.22,-18.21,;26.21,-19.75,;24.88,-20.51,)|
COc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(-11.09,-34.13,;-12.43,-34.91,;-12.42,-36.44,;-13.75,-37.21,;-13.75,-38.76,;-12.42,-39.53,;-11.07,-38.76,;-11.08,-37.21,;-9.75,-36.43,;-9.76,-34.89,;-8.42,-34.12,;-7.09,-34.89,;-7.09,-36.43,;-8.41,-37.19,;-5.76,-34.12,;-4.43,-34.89,;-3.1,-34.13,;-3.09,-32.59,;-4.42,-31.82,;-5.76,-32.58,;-1.76,-31.83,;-1.76,-30.29,;-.43,-29.53,;.91,-30.3,;.9,-31.84,;-.43,-32.6,)|
COc1cccc(c1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(1.87,-39.15,;3.2,-38.38,;3.2,-36.84,;1.87,-36.07,;1.87,-34.53,;3.2,-33.76,;4.53,-34.52,;4.54,-36.07,;5.86,-33.74,;5.85,-32.21,;7.19,-31.43,;8.53,-32.2,;8.52,-33.74,;7.2,-34.51,;9.85,-31.43,;11.19,-32.21,;12.52,-31.44,;12.52,-29.9,;11.19,-29.13,;9.85,-29.9,;13.86,-29.14,;13.86,-27.61,;15.19,-26.84,;16.53,-27.61,;16.52,-29.15,;15.19,-29.92,)|
COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(12.89,-36.27,;14.22,-37.04,;15.56,-36.27,;15.56,-34.73,;16.89,-33.96,;18.22,-34.72,;18.23,-36.27,;16.89,-37.04,;19.55,-33.94,;19.54,-32.41,;20.88,-31.63,;22.22,-32.4,;22.21,-33.94,;20.89,-34.71,;23.54,-31.63,;24.88,-32.41,;26.2,-31.64,;26.21,-30.1,;24.88,-29.33,;23.54,-30.1,;27.55,-29.34,;27.55,-27.81,;28.88,-27.04,;30.21,-27.81,;30.21,-29.35,;28.87,-30.12,)|
C1C[C@H](CC[C@H]1N1CCN(CC1)c1ccccn1)c1ccccc1 |r,wU:2.20,5.6,(-4.24,-47.15,;-5.56,-47.92,;-6.9,-47.15,;-6.91,-45.62,;-5.57,-44.85,;-4.24,-45.61,;-2.91,-44.84,;-1.58,-45.62,;-.25,-44.86,;-.24,-43.32,;-1.57,-42.54,;-2.91,-43.31,;1.1,-42.55,;1.09,-41.02,;2.42,-40.25,;3.76,-41.03,;3.76,-42.57,;2.42,-43.33,;-8.23,-47.93,;-9.56,-47.17,;-10.89,-47.94,;-10.89,-49.48,;-9.56,-50.25,;-8.22,-49.48,)|
C1C[C@@H](CC[C@H]1N1CCN(CC1)c1ccccn1)c1ccccc1 |r,wU:2.20,wD:5.6,(4.97,-44.46,;3.64,-45.24,;3.65,-46.77,;4.98,-47.54,;6.31,-46.77,;6.31,-45.23,;7.64,-44.46,;8.97,-45.24,;10.3,-44.47,;10.31,-42.94,;8.97,-42.16,;7.63,-42.93,;11.64,-42.17,;11.64,-40.64,;12.97,-39.87,;14.31,-40.64,;14.3,-42.19,;12.97,-42.95,;2.32,-47.55,;.98,-46.79,;-.34,-47.56,;-.35,-49.1,;.99,-49.87,;2.32,-49.1,)|
Cc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,10.14,(14.09,-43.6,;14.1,-45.14,;12.77,-45.91,;12.77,-47.45,;14.1,-48.22,;15.44,-47.45,;15.43,-45.9,;16.76,-45.12,;18.09,-45.89,;19.42,-45.12,;19.42,-43.58,;18.09,-42.82,;16.75,-43.59,;20.75,-42.81,;22.08,-43.59,;23.41,-42.83,;23.42,-41.29,;22.09,-40.51,;20.75,-41.28,;24.75,-40.52,;24.75,-38.99,;26.08,-38.22,;27.42,-39,;27.41,-40.54,;26.08,-41.3,)|
Cc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,wD:10.14,(-9.03,.91,;-9.03,-.63,;-10.36,-1.4,;-10.36,-2.94,;-9.03,-3.71,;-7.69,-2.94,;-7.69,-1.39,;-6.37,-.61,;-6.37,.93,;-5.04,1.7,;-3.7,.93,;-3.7,-.61,;-5.03,-1.38,;-2.37,1.7,;-1.04,.92,;.29,1.69,;.3,3.23,;-1.04,4,;-2.38,3.23,;1.63,3.99,;1.63,5.53,;2.96,6.29,;4.3,5.52,;4.29,3.98,;2.96,3.21,)|
Clc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,10.14,(2.07,.71,;2.07,-.83,;.74,-1.6,;.74,-3.14,;2.07,-3.92,;3.41,-3.14,;3.41,-1.59,;4.74,-.81,;6.07,-1.58,;7.4,-.81,;7.4,.73,;6.06,1.5,;4.73,.72,;8.73,1.5,;10.06,.72,;11.39,1.48,;11.4,3.02,;10.06,3.8,;8.72,3.03,;12.73,3.79,;12.73,5.32,;14.06,6.09,;15.4,5.32,;15.39,3.77,;14.06,3.01,)|
Clc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,wD:10.14,(13.43,1.57,;13.44,.03,;12.11,-.74,;12.11,-2.28,;13.44,-3.05,;14.78,-2.28,;14.77,-.73,;16.1,.05,;16.09,1.59,;17.43,2.36,;18.76,1.59,;18.76,.05,;17.44,-.72,;20.09,2.36,;21.42,1.58,;22.75,2.35,;22.76,3.89,;21.43,4.66,;20.09,3.9,;24.1,4.65,;24.1,6.19,;25.43,6.95,;26.77,6.18,;26.76,4.64,;25.42,3.88,)|
Fc1cccc(F)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(-9.21,-11,;-9.21,-12.54,;-10.54,-13.31,;-10.54,-14.85,;-9.2,-15.62,;-7.87,-14.85,;-6.53,-15.62,;-7.87,-13.3,;-6.54,-12.52,;-5.21,-13.29,;-3.88,-12.52,;-3.88,-10.98,;-5.22,-10.21,;-6.55,-10.98,;-2.55,-10.21,;-1.22,-10.99,;.11,-10.22,;.12,-8.68,;-1.22,-7.91,;-2.56,-8.67,;1.45,-7.92,;1.45,-6.38,;2.78,-5.62,;4.12,-6.39,;4.11,-7.93,;2.78,-8.69,)|
Fc1cccc(F)c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(3.19,-11.41,;3.2,-12.95,;1.87,-13.72,;1.87,-15.26,;3.2,-16.03,;4.54,-15.26,;5.87,-16.03,;4.53,-13.71,;5.86,-12.93,;5.85,-11.39,;7.19,-10.62,;8.53,-11.39,;8.52,-12.93,;7.2,-13.7,;9.85,-10.62,;11.19,-11.4,;12.52,-10.63,;12.52,-9.09,;11.19,-8.32,;9.85,-9.09,;13.86,-8.33,;13.86,-6.8,;15.19,-6.03,;16.53,-6.8,;16.52,-8.34,;15.18,-9.11,)|
COc1cccc(OC)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:13.17,10.10,(18.58,-10.5,;17.25,-11.27,;17.25,-12.81,;15.92,-13.58,;15.92,-15.12,;17.26,-15.89,;18.59,-15.12,;19.93,-15.89,;19.93,-17.43,;18.59,-13.57,;19.92,-12.79,;21.25,-13.56,;22.58,-12.79,;22.58,-11.25,;21.24,-10.48,;19.91,-11.25,;23.91,-10.48,;25.24,-11.26,;26.57,-10.49,;26.58,-8.95,;25.24,-8.18,;23.9,-8.95,;27.91,-8.19,;27.91,-6.66,;29.24,-5.89,;30.58,-6.66,;30.57,-8.2,;29.24,-8.97,)|
COc1cccc(OC)c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:10.10,wD:13.17,(-7.45,-22.18,;-8.78,-22.95,;-8.77,-24.49,;-10.1,-25.26,;-10.1,-26.81,;-8.77,-27.58,;-7.43,-26.81,;-6.1,-27.57,;-6.1,-29.11,;-7.44,-25.26,;-6.11,-24.47,;-6.12,-22.94,;-4.78,-22.17,;-3.44,-22.94,;-3.45,-24.47,;-4.77,-25.24,;-2.12,-22.17,;-.78,-22.94,;.54,-22.18,;.55,-20.64,;-.78,-19.86,;-2.12,-20.63,;1.89,-19.87,;1.89,-18.34,;3.22,-17.57,;4.56,-18.35,;4.55,-19.89,;3.21,-20.65,)|
Cc1cccc(C)c1C1=CCC(CC1)N1CCN(CC1)c1ccccn1 |t:9|
Cc1cccc(C)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(4.14,-25.41,;4.15,-26.95,;2.82,-27.72,;2.82,-29.27,;4.15,-30.04,;5.49,-29.26,;6.82,-30.03,;5.48,-27.71,;6.81,-26.93,;8.15,-27.7,;9.47,-26.93,;9.48,-25.39,;8.14,-24.62,;6.8,-25.4,;10.8,-24.62,;12.14,-25.4,;13.46,-24.63,;13.47,-23.1,;12.14,-22.32,;10.8,-23.09,;14.81,-22.33,;14.81,-20.8,;16.14,-20.03,;17.48,-20.8,;17.47,-22.34,;16.13,-23.11,)|
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1cccc(F)c1
Fc1ccc(cc1)N(CCCN1CCN(C[C@H](Cc2ccccc2)OC(=O)Cc2ccccc2)CC1)c1ccc(F)cc1 |r|
Fc1ccc(cc1)N(CCCN1CCN(C[C@H](Cc2ccccc2)OC(=O)C=C)CC1)c1ccc(F)cc1 |r|
CCCC(=O)O[C@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
CCC(=O)O[C@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
CC(=O)O[C@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)CCCc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)CCc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)Cc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)C=C)c2ccccc2)CC1)c1ccc(F)cc1
CC(C)C(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CCC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
COc1ccc(CN2C[C@@H]3CCC(=O)[C@H]2CN3c2ccccc2)cc1 |r,TLB:13:12:7.8:16.15,6:7:16.15:10.11.12,THB:17:16:7.8:10.11.12|
COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2CN3Cc2ccccc2)cc1 |r,TLB:13:12:7.8:16.15,6:7:16.15:10.11.12,THB:17:16:7.8:10.11.12|
COc1ccc(CN2C[C@@H]3CCC(=O)[C@H]2CN3Cc2ccccc2)cc1 |r,TLB:13:12:7.8:16.15,6:7:16.15:10.11.12,THB:17:16:7.8:10.11.12|
[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6]-[#6@H]-3-[#6]-[#6]-[#6](=O)-[#6@@H]-2-[#6]-[#7]-3-[#6]\[#6]=[#6](\[#6])-[#6])cc1 |r,TLB:13:12:7.8:16.15,6:7:16.15:10.11.12,THB:17:16:7.8:10.11.12|
[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6]-[#6@@H]-3-[#6]-[#6]-[#6](=O)-[#6@H]-2-[#6]-[#7]-3-[#6]\[#6]=[#6](\[#6])-[#6])cc1 |r,TLB:13:12:7.8:16.15,6:7:16.15:10.11.12,THB:17:16:7.8:10.11.12|
CCCN1C[C@@H]2N(Cc3ccc(OC)cc3)C[C@H]1CCC2=O |r,THB:2:3:6.16:18.19.20,21:20:6.16:3.4,7:6:3.4:18.19.20|
CCCN1C[C@H]2N(Cc3ccc(OC)cc3)C[C@@H]1CCC2=O |r,THB:2:3:6.16:18.19.20,21:20:6.16:3.4,7:6:3.4:18.19.20|
CN(CCCn1c2ccccc2oc1=O)Cc1ccccc1Cl
CN(CCCn1c2ccccc2oc1=O)Cc1cccc(Cl)c1
CN(CCCn1c2ccccc2oc1=O)Cc1ccc(Cl)cc1
COc1ccccc1CN(C)CCCn1c2ccccc2oc1=O
COc1cccc(CN(C)CCCn2c3ccccc3oc2=O)c1
COc1ccc(CN(C)CCCn2c3ccccc3oc2=O)cc1
CN(CCCn1c2ccccc2oc1=O)Cc1ccccc1C
CN(CCCn1c2ccccc2oc1=O)Cc1cccc(C)c1
CN(CCCn1c2ccccc2oc1=O)Cc1ccc(C)cc1
CN(CCCn1c2ccccc2oc1=O)Cc1ccc(C)cc1C
CN(CCCCn1c2ccccc2oc1=O)Cc1ccccc1
CN(CCCCn1c2ccccc2oc1=O)Cc1ccccc1Cl
CN(CCCCn1c2ccccc2oc1=O)Cc1cccc(Cl)c1
CN(CCCCn1c2ccccc2oc1=O)Cc1ccc(Cl)cc1
COc1ccccc1CN(C)CCCCn1c2ccccc2oc1=O
COc1cccc(CN(C)CCCCn2c3ccccc3oc2=O)c1
COc1ccc(CN(C)C(C)CCn2c3ccccc3oc2=O)cc1
CN(CCCCn1c2ccccc2oc1=O)Cc1cccc(C)c1
CN(CCCCn1c2ccccc2oc1=O)Cc1ccc(C)cc1
CN(CCCCn1c2ccccc2oc1=O)Cc1ccc(C)cc1C
O=C(Nc1ccccc1)C1CCN(Cc2ccccc2)CC1
Clc1ccc(CN2CCC(CC2)C(=O)Nc2ccccc2)cc1
Cc1ccc(CN2CCC(CC2)C(=O)Nc2ccccc2)cc1
O=C(NCc1ccccc1)C1CCN(Cc2ccccc2)CC1
Cc1ccc(CN2CCC(CC2)C(=O)NCc2ccccc2)cc1
COc1cccc2C(CCCN3CCCCC3)CCCc12
COc1cccc2C(CCCCCN3CCC(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCCN3CCC(O)(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCCc12)OCCN1CCC(CC1)C1CCCCC1
COc1cccc2C(CCCc12)NCCN1CCC(CC1)C1CCCCC1
COc1cccc2C(CCCN3CC[N+](C)(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCC[N+]3(C)CC[N+](C)(CC3)C3CCCCC3)CCCc12 |(-8.47,-48.94,;-7.14,-48.17,;-7.14,-46.63,;-8.47,-45.86,;-8.47,-44.32,;-7.14,-43.55,;-5.81,-44.31,;-4.47,-43.53,;-4.47,-41.99,;-3.13,-41.22,;-1.8,-41.99,;-.47,-41.23,;-.48,-42.76,;.87,-42,;2.2,-41.24,;2.2,-39.7,;2.19,-38.16,;.87,-38.92,;-.47,-39.69,;3.54,-38.94,;4.87,-39.71,;6.2,-38.96,;6.22,-37.42,;4.89,-36.64,;3.54,-37.4,;-3.12,-44.32,;-3.12,-45.87,;-4.47,-46.64,;-5.81,-45.87,)|
COc1cccc2C(CCC[N+]3(C)CCN(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCCN3CCN(CC3)C(=O)C3CCCCC3)CCCc12
COc1cccc2C(CCCN3CCOCC3)CCCc12
COc1cccc2C(CCCN3CCN(CCCC4CCCc5c(OC)cccc45)CC3)CCCc12
COc1cccc2C(CCCNCC(=O)NC3CCCCC3)CCCc12
C1CCC(CC1)N1CCNCC1
CC(=O)N1CCN(CC1)C1CCCCC1
CCN1CCN(CC1)C1CCCCC1
CN1CCN(CC1)C(C)=O
C1CCC(CC1)N1CCN(CC1)C1CCCCC1
O=C(C1CCCCC1)N1CCN(CC1)C1CCCCC1
C(CC1CCCCC1)CN1CCN(CC1)C1CCCCC1
CO[C@H]1Cc2ccccc2[C@]2(CCCN(CCc3ccccc3)C2)O1 |r|
CO[C@@H]1Cc2ccccc2[C@]2(CCCN(CCc3ccccc3)C2)O1 |r|
CO[C@H]1Cc2ccccc2[C@]2(CCCN(CCCc3ccccc3)C2)O1 |r|
CO[C@@H]1Cc2ccccc2[C@]2(CCCN(CCCc3ccccc3)C2)O1 |r|
CO[C@H]1Cc2ccccc2[C@]2(CCCN(CCCCc3ccccc3)C2)O1 |r|
CO[C@@H]1Cc2ccccc2[C@]2(CCCN(CCCCc3ccccc3)C2)O1 |r|
CCCCN1CCC[C@]2(C1)O[C@H](Cc1ccccc21)OC |r|
CCCCN1CCC[C@]2(C1)O[C@@H](Cc1ccccc21)OC |r|
CCCCCCN1CCC[C@]2(C1)O[C@H](Cc1ccccc21)OC |r|
CCCCCCN1CCC[C@]2(C1)O[C@@H](Cc1ccccc21)OC |r|
CCCCCCCCN1CCC[C@]2(C1)O[C@H](Cc1ccccc21)OC |r|
CCCCCCCCN1CCC[C@]2(C1)O[C@@H](Cc1ccccc21)OC |r|
CCCCCCCCCCN1CCC[C@]2(C1)O[C@H](Cc1ccccc21)OC |r|
CCCCCCCCCCN1CCC[C@]2(C1)O[C@@H](Cc1ccccc21)OC |r|
CCCCCCCCN1CCC2(CC1)OC(Cc1ccccc21)OC
CO[C@H]1Cc2ccccc2[C@]2(CCCN(Cc3ccccc3)C2)O1 |r|
CO[C@@H]1Cc2ccccc2[C@]2(CCCN(Cc3ccccc3)C2)O1 |r|
O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccccc1 |r|
O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(Br)cc1 |r|
O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(Br)s1 |r|
O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(I)s1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(Br)s1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(I)s1 |r|
Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)C(=O)c1ccc(Br)cc1 |r|
Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)C(=O)c1cccs1 |r|
Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)C(=O)c1ccc(Br)s1 |r|
Nc1cccc2C[C@H]([C@H](O)Cc12)N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
Nc1cccc2C[C@H]([C@H](O)Cc12)N1CCC(CC1)C(=O)c1cccs1 |r|
Nc1cccc2C[C@H]([C@H](O)Cc12)N1CCC(CC1)C(=O)c1ccc(Br)s1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)N1CCCCC1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)N1CCC(CC1)c1ccccc1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)N1CCC(Cc2ccccc2)CC1 |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)N1CCN(Cc2ccccc2)CC1 |r|
CCOC(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
CCC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
CCC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
CCC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
CCC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
COC(=O)N1C[C@H]2[C@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
COC(=O)N1C[C@@H]2[C@@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
COC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
Clc1ccc(CC(=O)N2C[C@H]3CC[C@@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Clc1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Clc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
Clc1ccc(CC(=O)N2C[C@H]3CC[C@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Br)cc3)c2c1
COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Br)cc3)c12
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1
COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Cl)cc3)c2c1
COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Cl)cc3)c12
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
FCCn1cc(CN2CN(c3ccccc3)C3(CCN(Cc4coc5ccccc45)CC3)C2=O)nn1
CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O
FCCN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O
CN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O
O=c1[nH]c2ccccc2n1C1CCN(Cc2csc3ccccc23)CC1
O=c1[nH]c2ccccc2n1C1CCN(Cc2coc3ccccc23)CC1
OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(I)cc1
OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Br)cc1
OC1(CCN(Cc2cc3ccccc3s2)CC1)c1ccccc1
OC1(CCN(Cc2cc3ccccc3o2)CC1)c1ccc(I)cc1
OC1(CCN(Cc2cc3ccccc3o2)CC1)c1ccc(Br)cc1
CSc1ccc(cc1)C1(O)CCN(Cc2c[nH]c3ncccc23)CC1
OC1(CCN(Cc2c[nH]c3ncccc23)CC1)c1ccc(I)cc1
OC1(CCN(Cc2c[nH]c3ncccc23)CC1)c1ccc(Br)cc1
COc1ccc2[nH]cc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)c2c1
COc1cccc2[nH]cc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)c12
OC1(CCN(Cc2c[nH]c3ccc(OCCF)cc23)CC1)c1ccc(Br)cc1
OC1(CCN(Cc2c[nH]c3cccc(OCCF)c23)CC1)c1ccc(Br)cc1
COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccccc3)c2c1
COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c2c1
COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c12
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(I)cc1
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
COc1ccc(C)cc1C(=O)NCCCN1CCc2cc(OC)c(OC)cc2C1
COc1ccc(C)cc1C(=O)NCCCN1CCN(CC1)C1CCCCC1
COc1cc2CCN(CCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC
COc1cc(Br)cc(C(=O)NCCCN2CCN(CC2)C2CCCCC2)c1OC
COc1cc(Br)c(cc1OC)C(=O)NCCCN1CCc2cc(OC)c(OC)cc2C1
COc1cc(Br)c(cc1OC)C(=O)NCCCN1CCN(CC1)C1CCCCC1
COc1cc2CCN(CCCNC(=O)C3CCCc4c(OC)cccc34)Cc2cc1OC
COc1cccc2C(CCCc12)C(=O)NCCCN1CCN(CC1)C1CCCCC1
O=C1N(CCCN2CCN(CC2)C2CCCCC2)CCc2ccccc12
COc1cc2CCN(CCCN3CCc4ccccc4C3=O)Cc2cc1OC
Cn1ncc2c1CCOC21CCN(CC1)N1CCC(CC1)c1ccccc1
COC1Cc2c(cnn2-c2ccccc2)C2(CCNCC2)O1
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)O1
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(OC)cc3)CC2)O1
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccco3)CC2)O1
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCCc3ccccc3)CC2)O1
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCCCc3ccccc3)CC2)O1
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1
CCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC
CCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)=C)CC2)O1
CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC
COC1Cc2c(cnn2C)C2(CCN(Cc3ccc(F)cc3)CC2)O1
COC1Cc2c(cnn2C)C2(CCN(CCCc3ccccc3)CC2)O1
COC1Cc2c(cnn2C)C2(CCN(CCC(C)C)CC2)O1
Cn1ncc2c1CC(O)OC21CCN(Cc2ccccc2)CC1
C(N1CCC2(CC1)OC=Cc1c2cnn1-c1ccccc1)c1ccccc1 |c:9|
Cn1ncc2c1C=COC21CCN(Cc2ccccc2)CC1 |c:7|
C(N1CCC2(CC1)OCCc1c2cnn1-c1ccccc1)c1ccccc1
CC(C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1
CC(=C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1
Cn1ncc2c1CCOC21CCN(Cc2ccccc2)CC1
CC(C)CCN1CCC2(CC1)OCCc1c2cnn1C
CC(=C)CCN1CCC2(CC1)OCCc1c2cnn1C
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCc3ccccc3)CC2)O1
OC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1
CC(=O)N(CC1CCN(Cc2ccc(Cl)cc2)CC1)Cc1ccccc1
CN(CC1CCN(CC1)C(=O)c1ccccc1)Cc1ccc(Cl)cc1
CN(CC1CCN(CC1)C(=O)c1ccccc1)Cc1cccnc1
C1CN(CCO1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:12:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,12:19:22:26.25.24|
CN1CCN(CC1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,13:20:23:27.26.25|
C1CCC(CC1)N1CCN(CC1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:18:25:28.27.32:30,THB:26:27:30:34.25.33,26:25:28.27.32:30,33:25:28:32.31.30,33:31:28:34.26.25,18:25:28:32.31.30|
C(N1CCN(CC1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccccc1 |TLB:13:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,13:20:23:27.26.25|
C1CN(CCN1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:12:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,12:19:22:26.25.24|
CCN1CCN(CC1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:14:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,14:21:24:28.27.26|
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
Fc1cccc(CCN2C3CCC2CC3)c1
C(C1CCCCC1)N1CCCC1
Fc1cccc(CCCN2C3CCC2CC3)c1
C(C1CCCCC1)N1C2CCC1CC2
C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)|
C(Cc1ccccn1)N1C2CCC1CC2
C(Cc1ccccc1)N1C2CCC1CC2
COC1OC2(CCN(Cc3ccccc3)C2)c2ccccc12
COC1Cc2ccccc2C2(CCN(Cc3ccccc3)C2)O1
COC1Cc2ccccc2C2(CCN(CCc3ccccc3)C2)O1
COC1Cc2ccccc2C2(CCN(CCCCc3ccccc3)C2)O1
CCCCN1CCC2(C1)OC(Cc1ccccc21)OC
CCCCCCCCN1CCC2(C1)OC(Cc1ccccc21)OC
COC1OC2(CCN(CCCCc3ccccc3)C2)c2ccccc12
CCCCN1CCC2(C1)OC(OC)c1ccccc21
CCCCCCCCN1CCC2(C1)OC(OC)c1ccccc21
COC1OC2(CCN(CCCCn3ccnc3)C2)c2ccccc12
COC1OC2(CCN(CCc3ccccc3)C2)c2ccccc12
O[C@@H]1CCN(C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1 |r|
COc1ccc(cc1)C(=O)N1CC[C@@H](O)[C@@H](C1)N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
O[C@@H]1CCN(C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1ccccc1 |r|
O[C@@H]1CCN(C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1cccnc1 |r|
O[C@@H]1CCN(C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1cccs1 |r|
Cc1ccc(s1)C(=O)N1CC[C@@H](O)[C@@H](C1)N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
Cc1ccsc1C(=O)N1CC[C@@H](O)[C@@H](C1)N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CN(CC[C@H]1O)C(=O)c1ccc(F)cc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CN(CC[C@H]1O)C(=O)c1ccc(OC)cc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CN(CC[C@H]1O)C(=O)c1ccccc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CN(CC[C@H]1O)C(=O)c1cccnc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CN(CC[C@H]1O)C(=O)c1cccs1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CN(CC[C@H]1O)C(=O)c1ccc(C)s1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CN(CC[C@H]1O)C(=O)c1sccc1C |r|
O[C@@H]1CN(CC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1cccs1 |r|
Cc1ccsc1C(=O)N1CC[C@H]([C@H](O)C1)N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(C[C@H]1O)C(=O)c1cccs1 |r|
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(C[C@H]1O)C(=O)c1ccc(C)s1 |r|
N#CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F
O=C1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
COC(=O)CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
OCCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2sc(Cl)cc2C2(CCN(Cc3ccccc3)CC2)O1
OC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
N#CC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
C(N1CCC2(CC1)OC=Cc1sccc21)c1ccccc1 |c:9|
C(C1CCCCC1)N1CCC2(CC1)OC=Cc1sccc21 |c:16|
COC1Cc2sc(CN=O)cc2C2(CCN(Cc3ccccc3)CC2)O1
OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(CC1)c1ccccc1I |r|
OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(CC1)c1ccccc1Br |r|
OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(CC1)c1ccccc1 |r|
OC1CCCCC1N1CCC(CC1)c1ccccc1
FCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
COc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1
CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1
FCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1
CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1
FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1
COc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1
CCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1
FCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1
CCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1
FCCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1
COc1ccc(cc1)N1CCN(CC[C@@H](OC(N)=O)c2ccccc2)CC1 |r|
Clc1ccc(cc1Cl)-n1ccc(NC(=O)CN2CCCCC2)n1
Cc1cc(SCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
CC(=O)N1CCN(CCCCOc2cc(C)n(n2)-c2ccc3ccccc3c2)CC1
C[C@H]1CN(CCCCOc2cc(C)n(n2)-c2ccc3ccccc3c2)C[C@@H](C)O1 |r|
Cc1cc(OCCCCN2CCOCC2)nn1-c1ccc2ccccc2c1
Cc1cc(OCCN2CCOCC2=O)nn1-c1ccc2ccccc2c1
CC(=O)N1CCN(CCOc2cc(C)n(n2)-c2ccc3ccccc3c2)CC1
C[C@H]1CN(CCOc2cc(C)n(n2)-c2ccc3ccccc3c2)C[C@@H](C)O1 |r|
CCN(CC)CCOc1cc(C)n(n1)-c1ccc2ccccc2c1
Cc1cc(OCCN2CCCC2)nn1-c1ccc2ccccc2c1
Cc1cc(OCCN2CCCCC2)nn1-c1ccc2ccccc2c1
C(CN1CCOCC1)Oc1ccn(n1)C1CCCCC1
CC(C)(C)n1ccc(OCCN2CCOCC2)n1
Cc1c(OCCN2CCOCC2)nn(c1C)-c1ccc2ccccc2c1
C(CN1CCOCC1)Oc1ccn(n1)-c1ccc2ccccc2c1
Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)cc1Cl
Clc1ccc(cc1)-n1ccc(OCCN2CCOCC2)n1
Cc1cc(OCCN2CCOCC2)nn1-c1cccc(Cl)c1
COc1ccc(cc1)-n1nc(OCCN2CCOCC2)cc1C
Cc1cc(OCCN2CCOCC2)nn1-c1ccccc1
CC(=O)c1c(C)n(nc1OCCN1CCOCC1)-c1ccc(Cl)c(Cl)c1
Cc1c(C)n(nc1OCCN1CCOCC1)-c1ccc(Cl)c(Cl)c1
CN1CCN(CC(O)COc2ccn(n2)-c2ccc(Cl)c(Cl)c2)CC1
OC(COc1ccn(n1)-c1ccc(Cl)c(Cl)c1)CN1CCOCC1
Clc1ccc(cc1Cl)-n1ccc(OCCOS(=O)(=O)CCN2CCOCC2)n1
Clc1ccc(cc1Cl)-n1ccc(OCCOCCN2CCCCC2)n1
COCCN(C)CCCCOc1ccn(n1)-c1ccc(Cl)c(Cl)c1
CN(CCCCOc1ccn(n1)-c1ccc(Cl)c(Cl)c1)Cc1ccccc1
CCN(CC)CCCCOc1ccn(n1)-c1ccc(Cl)c(Cl)c1
C[C@H]1CN(CCCCOc2ccn(n2)-c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 |r|
Clc1ccc(cc1Cl)-n1ccc(OCCCCN2CCSCC2)n1
Clc1ccc(cc1Cl)-n1ccc(OCCCCN2CCOCC2)n1
Cc1cc(OCCCCn2ccnc2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(OCCCCn2ccc3c2CCCC3=O)nn1-c1ccc(Cl)c(Cl)c1
CCN(CC)CCCCOc1cc(C)n(n1)-c1ccc(Cl)c(Cl)c1
Cc1cc(OCCN2CCOCC2)n(n1)-c1ccc2ccccc2c1
CN1CCN(CCCCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Cc1cc(OCCCCN2CCC(CC2)c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(OCCCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(OCCCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(OCCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
CN1CCN(CCCOc2ccn(n2)-c2ccc(Cl)c(Cl)c2)CC1
Clc1ccc(cc1Cl)-n1ccc(OCCCN2CCCCC2)n1
Clc1ccc(cc1Cl)-n1ccc(OCCCN2CCOCC2)n1
CN1CCN(CCCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Cc1cc(OCCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(OCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)-n1nc(OCCN2CCOCC2)cc1-c1ccccc1
CC(C)c1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
CC(=O)C1CCN(CCOc2ccn(n2)-c2ccc(Cl)c(Cl)c2)CC1
CC1CCN(CCOc2ccn(n2)-c2ccc(Cl)c(Cl)c2)CC1
Clc1ccc(cc1Cl)-n1ccc(OCCN2CCCCCC2)n1
Clc1ccc(cc1Cl)-n1ccc(OCCN2CCCCC2)n1
Clc1ccc(cc1Cl)-n1ccc(OCCN2CCCC2)n1
Clc1ccc(cc1Cl)-n1ccc(OCCN2CCOCC2)n1
Cc1cc(OCCn2ccnc2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(OCCNC2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
CCN(CC)CCOc1cc(C)n(n1)-c1ccc(Cl)c(Cl)c1
Cc1cc(OCCN2CCN(CC2)c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1
CCOC(=O)N1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
CN1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Cc1cc(OCCN2CCC(CC2)n2cnc3cccnc23)nn1-c1ccc(Cl)c(Cl)c1
CC1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Cc1cc(OCCN2CCCCCC2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(OCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
COC1Cc2c(csc2-c2cccnc2)C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2c(csc2-c2ccc(cc2)C#N)C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2c(csc2-c2ccc(cc2)C(C)=O)C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2c(csc2-c2ccc(OC)cc2)C2(CCN(Cc3ccccc3)CC2)O1
C(N1CCC2(CC1)OCCc1c(scc21)-c1cccc2ccccc12)c1ccccc1
Cc1ccc(cc1)-c1scc2c1CCOC21CCN(Cc2ccccc2)CC1
COC1Cc2c(csc2-c2ccc(cc2)-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2c(csc2-c2cccc3ccccc23)C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2c(csc2-c2ccc(cc2)C(F)(F)F)C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2c(csc2-c2ccc(cc2)[N+]([O-])=O)C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2c(csc2-c2ccc(C)cc2)C2(CCN(Cc3ccccc3)CC2)O1
N#Cc1ccc(cc1)-c1scc2c1CCOC21CCN(Cc2ccccc2)CC1
[O-][N+](=O)c1ccc(cc1)-c1scc2c1CCOC21CCN(Cc2ccccc2)CC1
COc1ccc(cc1)-c1scc2c1CCOC21CCN(Cc2ccccc2)CC1
C(N1CCC2(CC1)OC=Cc1ccsc21)c1ccccc1 |c:9|
OC1Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1
C(N1CCC2(CC1)OCCc1ccsc21)c1ccccc1
COC1Cc2c(csc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(C)cc1
COC1Cc2c(csc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(OC)cc1
COC1Cc2c(csc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccccc1
C(N1CCC2(CC1)OCCc1c(csc21)-c1ccccc1)c1ccccc1
COC1Cc2cc(sc2C2(CCN(Cc3ccccc3)CC2)O1)-c1cccnc1
COC1Cc2cc(sc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(cc1)-c1ccccc1
COC1Cc2cc(sc2C2(CCN(Cc3ccccc3)CC2)O1)-c1cccc2ccccc12
COC1Cc2cc(sc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(cc1)C(F)(F)F
COC1Cc2cc(sc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(cc1)C#N
COC1Cc2cc(sc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(cc1)C(C)=O
COC1Cc2cc(sc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(cc1)[N+]([O-])=O
COC1Cc2cc(sc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(C)cc1
COC1Cc2cc(sc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(OC)cc1
COC1Cc2cc(sc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccccc1
C(N1CCC2(CC1)OCCc1cc(sc21)-c1ccccc1)c1ccccc1
COC1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(cc1)-c1ccccc1
C(N1CCC2(CC1)OCCc1cscc21)c1ccccc1
C(N1CCC2(CC1)OCCc1c(scc21)-c1ccccc1)c1ccccc1
COC1Cc2cscc2C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2c(csc2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccccc1
COC1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(OC)cc1
COC1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(cc1)C#N
CC(C)(C)[C@]1(OCC[C@@H](CCNCc2ccccc2)O1)c1ccccc1 |r|
CC(C)(C)[C@@]1(OCC[C@H](CCNCc2ccccc2)O1)c1ccccc1 |r|
CCC[C@]1(OCC[C@@H](CCNCc2ccccc2)O1)c1ccccc1 |r|
CCC[C@@]1(OCC[C@H](CCNCc2ccccc2)O1)c1ccccc1 |r|
CC[C@@]1(OCC[C@H](CCNCc2ccccc2)O1)c1ccccc1 |r|
C[C@]1(OCC[C@@H](CCNCc2ccccc2)O1)c1ccccc1 |r|
C[C@@]1(OCC[C@H](CCNCc2ccccc2)O1)c1ccccc1 |r|
C(C[C@H]1CCO[C@H](O1)c1ccccc1)NCc1ccccc1 |r|
CC(C)(C)[C@]1(OCC[C@@H](CCN)O1)c1ccccc1 |r|
CC(C)(C)[C@@]1(OCC[C@H](CCN)O1)c1ccccc1 |r|
CCC[C@]1(OCC[C@@H](CCN)O1)c1ccccc1 |r|
CCC[C@@]1(OCC[C@H](CCN)O1)c1ccccc1 |r|
CC[C@@]1(OCC[C@H](CCN)O1)c1ccccc1 |r|
C[C@]1(OCC[C@@H](CCN)O1)c1ccccc1 |r|
C[C@@]1(OCC[C@H](CCN)O1)c1ccccc1 |r|
NCC[C@H]1CCO[C@H](O1)c1ccccc1 |r|
CN(CCCNCc1ccc(Cl)cc1)Cc1ccccc1
Clc1ccc(cc1)C(=O)NCCN1CCOCC1
CN(CCCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1
CN(CCNC(=O)c1cccc(Cl)c1Cl)Cc1ccccc1
Clc1ccc(cc1)C(=O)NCCCN1CCCC1
CN(CCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1
Clc1ccc(cc1)C(=O)NCCCN1Cc2ccccc2C1
Clc1ccc(cc1)C(=O)NCCN1CCCC1
Clc1ccc(cc1)C(=O)NCCCN1CCOCC1
CN1CCN(CCNC(=O)c2ccc(Cl)cc2)CC1
CN1CCN(CCCNC(=O)c2ccc(Cl)cc2)CC1
CN(CCCNS(=O)(=O)c1ccc(Cl)cc1)Cc1ccccc1
CN(CCCNC(=O)c1ccccc1)Cc1ccccc1
C(Oc1cc(COc2ccccc2)no1)[C@@H]1CCN1 |r|
Clc1cncc(OCc2cc(OC[C@@H]3CCN3)no2)c1 |r|
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCN1 |r|
C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r|
C(Oc1cc(COc2ccccc2)no1)[C@@H]1CCCN1 |r|
COC(=O)[C@]1(C[C@H]1CN(C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 |r,TLB:8:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,8:10:13:17.16.15,18:10:13:17.16.15,18:16:13:19.11.10|
O[Si]1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC12C3C4C5C3C(C3C5CC4C13)N2CCCCc1cccc(F)c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2CCCCc1ccccc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2CCCc1cccc(F)c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2CCCc1ccccc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccncc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccc2OCOc2c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccncc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccnc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccn1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2CC1CCCCC1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
COc1cc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc(OC)c1OC |TLB:7:18:9.10:16,12:14:9.10:16,THB:8:9:18.14:16,17:18:8.11:6,9:8:18.14:6,11:10:18.14:16,15:14:8.11:6,10:11:18.14:6,5:6:8.11:18.14|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
COc1cc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc(OC)c1 |TLB:7:18:9.10:16,12:14:9.10:16,THB:8:9:18.14:16,17:18:8.11:6,9:8:18.14:6,11:10:18.14:16,15:14:8.11:6,10:11:18.14:6,5:6:8.11:18.14|
COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c(OC)c1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
COc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1ccc2c(C)c(oc2c1)C(=O)N(CCCN1CCCCC1)c1ccccc1
COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC
Cc1c(oc2ccccc12)C(=O)N(CCCN1CCCCC1)c1ccccc1
C(CN1CCCCC1)Cc1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:15:22:25.24.29:27,THB:15:22:25:29.28.27,23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
C(CN1CCNCC1)Cc1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:15:22:25.24.29:27,THB:15:22:25:29.28.27,23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
C(CN1CCN(Cc2ccccc2)CC1)Cc1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:22:29:32.31.36:34,THB:22:29:32:36.35.34,37:29:32:36.35.34,37:35:32:38.30.29,30:31:34:38.29.37,30:29:32.31.36:34|
CN1CCN(CCCc2ccc(cc2)C(c2ccccc2)C23CC4CC(CC(C4)C2)C3)CC1 |TLB:14:21:24.23.28:26,THB:14:21:24:28.27.26,29:21:24:28.27.26,29:27:24:30.22.21,22:23:26:30.21.29,22:21:24.23.28:26|
CN1CCN(CCc2ccc(cc2)C(c2ccccc2)C23CC4CC(CC(C4)C2)C3)CC1 |TLB:13:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,13:20:23:27.26.25|
CN1CCN(Cc2ccc(cc2)C(c2ccccc2)C23CC4CC(CC(C4)C2)C3)CC1 |TLB:12:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,12:19:22:26.25.24|
CC[Si](CC)(CC)C#Cc1cccc2C=C(C(Oc12)C(F)(F)F)[N+]([O-])=O |c:14|
CN(C)CC1CCOC1(c1ccccc1)c1ccccc1
OC1CN(CCCOCCc2ccc3sccc3c2)C1
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:4.10.3:1|
c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3cccn4
CC(C)([C@H](c1ccccc1)O)NCc2ccc3c(c2)CCC(=O)N3C
CCN(C\C=C/c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1
CCN1CCN(Cc2cccc3ccccc23)[C@@H](CCO)C1 |r|
CCN1CCN(Cc2cccc3ccccc23)[C@H](CCO)C1 |r|
COc1cccc(OC)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)C1CCCCC1 |r,wU:10.10,13.17,(-7.33,.38,;-6,-.39,;-6,-1.93,;-7.33,-2.7,;-7.33,-4.24,;-6,-5,;-4.67,-4.24,;-3.34,-5.01,;-2,-4.24,;-4.67,-2.69,;-3.34,-1.92,;-2,-2.69,;-.67,-1.92,;-.67,-.38,;-2,.38,;-3.34,-.38,;.66,.38,;.66,1.93,;2,2.69,;3.33,1.92,;3.33,.38,;2,-.38,;4.67,2.69,;4.67,4.24,;6,5.01,;7.33,4.24,;7.33,2.69,;6,1.92,)|
Fc1cccc(F)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)C1CCCCC1 |r,wU:8.8,11.15,(43.39,-45.21,;44.16,-43.88,;45.7,-43.88,;46.47,-42.55,;45.7,-41.21,;44.16,-41.21,;43.39,-39.88,;43.39,-42.55,;41.85,-42.55,;41.08,-41.21,;39.54,-41.21,;38.77,-42.55,;39.54,-43.88,;41.08,-43.88,;37.23,-42.55,;36.46,-41.21,;34.92,-41.21,;34.15,-42.55,;34.92,-43.88,;36.46,-43.88,;32.61,-42.55,;31.84,-43.88,;30.3,-43.88,;29.53,-42.55,;30.3,-41.21,;31.84,-41.21,)|
C(C[C@H]1CCC[C@H](O1)c1ccccc1)NCc1ccccc1 |r|
C(C[C@@H]1CCC[C@@H](O1)c1ccccc1)NCc1ccccc1 |r|
CCCCCCNCC[C@H]1CCC[C@H](O1)c1ccccc1 |r|
CCCCCCNCC[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
C(CC1CCNC(C1)c1ccccc1)NCc1ccccc1
CCCCCCCNCCC1CCN(C)C(C1)c1ccccc1
CN(CCC1CCN(C)C(C1)c1ccccc1)Cc1ccccc1
CN1CCC(CCN2CCN(CC2)c2ccccc2)CC1c1ccccc1
CN1CCC(CCNCc2ccccc2)CC1c1ccccc1
C(C1CSC2(CCCCC2)S1)N1CCC(Cc2ccccc2)CC1
C(C1CSC2(CCCCC2)S1)N1CCN(Cc2ccccc2)CC1
OC1CCC2CCc3c(ccc[n+]3Cc3ccccc3)C2C1
CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
COc1cccc(c1)[C@]12CCN(C)[C@H](CC(=O)C1)C2 |r|
CN1CC[C@@]2(C[C@@H]1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
CN1CCC=C(C1)c1nsnc1SCCCF |c:4|
CN1CCC=C(C1)c1nsnc1SCCF |c:4|
CCc1cccc(c1)N(C)C(N)=Nc1cc(SC)cc(CC)c1Br |w:12.13|
C(N1CCC2(CC1)CCc1ccccc1C2)c1ccccc1
O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc12
O=C1CC(Oc2ccccc12)C1CCN(CCc2ccccc2)CC1
C(N1CCC2(CC1)OCc1ccccc1O2)c1ccccc1
C(N1CCC2(CC1)OCc1ccccc1S2)c1ccccc1
O=C1CC(Oc2ccccc12)C1CCN(Cc2ccccc2)CC1
C(N1CCC(CC1)C1CCc2ccccc2S1)c1ccccc1
O=C1CC(Sc2ccccc12)C1CCN(Cc2ccccc2)CC1
CC1(C)CCCN(CCCCC2CCc3ccccc23)C1
CC1(C)CCCN(CCCC2CCCc3[nH]ccc23)C1
CC1(C)CCCN(CCCc2cccc3occc23)C1
CC1(C)CCCN(CCCc2cccc3sccc23)C1
CC1(C)CCCN(CCCC2CCCCc3ccccc23)C1
CC1(C)CCCN(Cc2cc3ccccc3o2)C1
CC1(C)CCCN(CCCn2ccc3ccccc23)C1
CC1(C)CCCN(CCCn2nnc3ccccc23)C1
CC1(C)CCCN(CCCc2c[nH]c3ccccc23)C1
CC1(C)CCCN(CCCCC2CCCCC2)C1
CC1(C)CCCN(CC(=O)Nc2nc3CCCC(=O)c3s2)C1
CC1(C)CCCN(CCNc2nc3CCCC(=O)c3s2)C1
CC1(C)CCCN(CCNc2nc3ccccc3s2)C1
CC1(C)CCCN(CCNc2nccs2)C1
CC1(C)CCCN(CCCCN2CCCC(C)(C)C2)C1
CC1(C)CCCN(CCCCC2CCCCc3ccccc23)C1
CCCCN1CCC2C(C1)CCCc1ccccc21
C1CCC(CC1)N1CCC2C(C1)CCCc1ccccc21
COc1ccc2CCC3=C(CCN(C)C3)c2c1 |t:8|
C(N1CC[C@@H]2[C@@H](CCc3ccccc23)C1)c1ccco1 |r|
Clc1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1 |r|
CCCCN1CCC2=C(Cc3ccccc23)C1 |t:7|
CCCCN1CCC2=C(C1)CCCc1ccccc21 |c:7|
C(CN1CC[C@@H]2[C@@H](CCc3ccccc23)C1)Cc1ccccc1 |r|
CCCCN1CCC2=C(CCc3ccccc23)C1 |t:7|
C=CCCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1 |r|
C1CN(C[C@@H]2CCc3ccccc3[C@H]12)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |r,THB:19:20:15:23.18.17,19:18:15:22.20.21|
C1CCC(CC1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1 |r|
[#6]\[#6](-[#6])=[#6]/[#6]-[#7]-1-[#6]-[#6]-[#6@@H]-2-[#6@@H](-[#6]-[#6]-c3ccccc-23)-[#6]-1 |r|
C(Cc1ccccc1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1 |r,@:8|
C(N1CC[C@@H]2[C@@H](CCc3ccccc23)C1)c1cccs1 |r|
COc1ccc2CC[C@H]3CN(C)CC[C@@H]3c2c1 |r|
C(N1CC[C@@H]2[C@@H](CCc3ccccc23)C1)c1ccccn1 |r|
C(Cc1ccccc1)N1CCC2=C(CCc3ccccc23)C1 |t:12|
[O-][N+](=O)c1ccc(CCN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1 |r|
C(N1CC[C@@H]2[C@@H](CCc3ccccc23)C1)c1ccccc1 |r|
C(C1CC1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1 |r|
CCCCN1CC[C@@H]2[C@@H](CCc3c(C)cc(C)cc23)C1 |r|
C(N1CC[C@@H]2[C@@H](CCc3ccccc23)C1)c1ccc2ccccc2c1 |r|
CCCCN1CC[C@H]2[C@@H](CCc3ccccc23)C1 |r|
C=CCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1 |r|
CCCCN1CCC2C(Cc3ccccc23)C1
CCCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1 |r|
CN1CC[C@H]2[C@@H](CCc3ccccc23)C1 |r|
CCCCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1 |r|
[O-][N+](=O)c1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1 |r|
CC(C)(C)c1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1 |r|
CCCN1CCC2=C(CCc3ccccc23)C1 |t:6|
COc1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1 |r|
CN1CC[C@@H]2[C@@H](CCc3ccccc23)C1 |r|
COc1ccc2CC[C@H]3CN(C)CC[C@H]3c2c1 |r|
C1CN(C[C@@H]2CCc3ccccc3[C@H]12)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |r,wU:19.27,21.25,wD:4.3,13.13,15.28,17.26,TLB:22:21:23:17.16.18,22:17:23:14.21.20,THB:2:14:23:17.16.18,(4.25,1.05,;2.97,.26,;1.6,1.04,;1.59,2.58,;2.93,3.36,;2.92,4.88,;4.24,5.64,;5.62,4.85,;6.9,5.66,;8.23,4.9,;8.24,3.34,;6.9,2.58,;5.57,3.35,;4.3,2.57,;.23,.31,;.24,-1.24,;-1.09,-1.63,;-2.6,-1.09,;-3.75,-2.4,;-2.14,-1.95,;-2.14,-.19,;-1.09,.98,;-2.6,.37,;-.78,-2.5,)|
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-c3ccccc23)[#6]-[#6]-1
C(Cc1ccccc1)N1CCC2(CCCc3ccccc23)CC1
C(C1CCCCC1)N1CCC2(CCCc3ccccc23)CC1
CCCCN1CCC2(CC1)CCCCc1ccccc21
Oc1ccc2CCCC3(CCN(Cc4ccccc4)CC3)c2c1
C(Cc1ccccc1)N1CCC2(CCc3ccccc23)CC1
C(C1CCCO1)N1CCC2(CCCc3ccccc23)CC1
C(C1CCCO1)N1CCC2(CCc3ccccc23)CC1
Cc1ccc(CN2CCC3(CCc4ccccc34)CC2)cc1
CCCCN1CCC2(CCc3ccccc23)CC1
COc1ccc(CN2CCC3(CCc4ccccc34)CC2)cc1
C(N1CCC2(CCc3ccccc23)CC1)c1ccccc1
C(N1CCC2(CCCc3ccccc23)CC1)c1ccco1
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-[#6]-c3ccccc23)[#6]-[#6]-1
[O-][N+](=O)c1ccc(CN2CCC3(CCCc4ccccc34)CC2)cc1
C(N1CCC2(CCc3ccccc23)CC1)c1ccccn1
COc1ccc(CN2CCC3(CCCc4ccccc34)CC2)cc1
C(N1CCC2(CCCc3ccccc23)CC1)c1ccccn1
CCCCCCN1CCC2(CCc3ccccc23)CC1
C(N1CCC2(CCCc3ccccc23)CC1)c1cccs1
C(C1CCCCC1)N1CCC2(CCc3ccccc23)CC1
COc1ccc2CCCC3(CCN(Cc4ccccc4)CC3)c2c1
C=CCN1CCC2(CCCc3ccccc23)CC1
Cc1ccc2c(CCCC22CCN(Cc3ccccc3)CC2)c1
C=CCCN1CCC2(CCCc3ccccc23)CC1
C(N1CCC2(CC1)CCCCc1ccccc21)c1ccccc1
Clc1ccc(CN2CCC3(CCCc4ccccc34)CC2)cc1
Cc1ccc(CN2CCC3(CCCc4ccccc34)CC2)cc1
C(C1CC1)N1CCC2(CCCc3ccccc23)CC1
CCCCCCN1CCC2(CCCc3ccccc23)CC1
Clc1ccc2c(CCCC22CCN(Cc3ccccc3)CC2)c1
CCCN(C)C1CC(c2ccccc2)c2ccccc2C1
CCCNC1CC(c2ccccc2)c2ccccc2C1
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
CCCN(CCC)C1CC(c2ccccc2)c2ccccc2C1
CN(C)C1Cc2ccccc2C(C)(C1)c1ccccc1
CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1
c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O
CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r|
CNC1CC(c2ccccc2)c2ccccc2C1
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
[H][C@]12CC[C@@]([H])(CC(C1)NC(=O)n1c3ccccc3n(CC)c1=O)N2C |r,@:7|
[H][C@@]12CCC[C@]([H])(CC(C1)OC(=O)Nc1cc(C)ccc1OC)N2CCCCCCN |r,@:8,TLB:10:8:4.3.2:23,24:23:4.3.2:9.8.7|
COc1ccc(C(=O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
COc1cc2CCN(CCCn3cnc4cc(Cl)c(cc4c3=O)[N+]([O-])=O)Cc2cc1OC
COc1ccc(C(=O)CCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
COc1ccc(C(O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
COc1cc2CCN(CCC(=O)c3c(C)c(OC)c(OC)c(OC)c3O)Cc2cc1OC
COc1ccc(C(O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
COc1cc2CCN(CCCCn3cnc4cc(Cl)c(cc4c3=O)[N+]([O-])=O)Cc2cc1OC
COc1cc2CCN(CCCn3cnc4cc(OC)c(OC)cc4c3=O)Cc2cc1OC
COc1ccc(C(=O)CCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
COc1ccc(C(O)CCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
COc1cc2CCN(CCCCn3cnc4cc(OC)c(OC)cc4c3=O)Cc2cc1OC
COc1cc2CCN(CCn3cnc4cc(Cl)c(cc4c3=O)[N+]([O-])=O)Cc2cc1OC
COc1ccc(C(=O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
COc1ccc(C(=O)CN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
COc1ccc(C(O)CN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
COc1ccc(C(O)CCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:1:10.4.3|
FCCOCCOCCOc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
FCCOCCOc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
FCCOc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
O=C(CCCCC1CCSS1)N1CCN(CC1)c1ccccc1
O=C(CCCCC1CCSS1)N1CCN(CC2CCCCC2)CC1
O=C(CCCCC1CCSS1)OC1CCN(CCCc2ccccc2)CC1
O=C(CCCCC1CCSS1)OC1CCN(CCc2ccccc2)CC1
O=C(CCCCC1CCSS1)OC1CCN(Cc2ccccc2)CC1
O=C(CCCCC1CCSS1)OC1CCN(CC2CCCCC2)CC1
O=C(CCCCC1CCSS1)N1CCN(CCCc2ccccc2)CC1
O=C(CCCCC1CCSS1)N1CCN(CCc2ccccc2)CC1
O=C(CCCCC1CCSS1)N1CCN(Cc2ccccc2)CC1
O=C(CCCCC1CCSS1)N1CCN(CC1)C1CCCCC1
CN1CCN(CC1)C(=O)CCCCC1CCSS1
C(Cc1ccccc1)NC12OC3C4C5C(C14)C1CC5C3C21 |THB:13:12:10:20.19,14:15:10:20.19,16:20:10:15.12,18:19:10:15.12|
C(NC12OC3C4C5C(C14)C1CC5C3C21)c1ccccc1 |THB:6:5:3:13.12,7:8:3:13.12,9:13:3:8.5,11:12:3:8.5|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccc(Cl)c(Cl)c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccc(Cl)c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccc(Br)cc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(Cl)c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9|
Cc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:18:19:9.12:7,9:10:19.15:17,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(c1)[N+]([O-])=O |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(c1)C(F)(F)F |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc(F)c(F)c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1F |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(I)c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc(I)cc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc(Br)cc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9|
CC(C)CCOc1ccc2N[C@@H](C3CCOCC3)[C@H]3CCCO[C@H]3c2c1 |r|
CC(C)CCOc1ccc2N[C@H](C3CCOCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
CC(C)CCOc1ccc2N[C@@H](C3CCCCC3)[C@H]3CCCO[C@H]3c2c1 |r|
CC(C)CCOc1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
CCCCCc1ccc2N[C@@H](C3CCCCC3)[C@H]3CCCO[C@H]3c2c1 |r|
CCCCCc1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
CC(C)CCOc1ccc2N[C@H](C3CCN(Cc4ccccc4)CC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
CCN1CCC(CC1)[C@H]1Nc2ccc(OCCC(C)C)cc2[C@H]2OCCC[C@@H]12 |r|
CC(C)CCOc1ccc2N[C@H](C3CCNCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
CC(C)CCOc1ccc2N[C@H](C3CCCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
CCCCOc1ccc2N[C@@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
CCCCOc1ccc2N[C@H](C3CC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
CCCCCc1ccc2N[C@H](C3CCOCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
CCCCCc1ccc2N[C@H](C(CC)CC)[C@@H]3CCCO[C@@H]3c2c1 |r|
CC(C)CCOc1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)C1CCCCC1 |r|
CCCCOc1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)C1CCCCC1 |r|
CCCCCc1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)C1CCCCC1 |r|
Clc1ccc(Oc2ccc3N[C@@H]([C@@H]4CCO[C@@H]4c3c2)C2CCCCC2)cc1 |r|
O=C(Nc1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
CCCNS(=O)(=O)c1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
C1CCC(CC1)[C@H]1Nc2ccc(cc2[C@H]2OCCC[C@@H]12)-c1ccccc1 |r|
C1CCC(CC1)[C@H]1Nc2ccc(cc2[C@H]2OCCC[C@@H]12)C1CCCCC1 |r|
Fc1ccc(COc2ccc3N[C@H](C4CCCCC4)[C@@H]4CCCO[C@@H]4c3c2)cc1 |r|
CCCCOc1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
CCCCc1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
C1CCC(CC1)[C@H]1Nc2ccccc2[C@H]2OCCC[C@@H]12 |r|
C1CCC(CC1)[C@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2OCCC[C@@H]12 |r|
Clc1ccc(Oc2ccc3N[C@H](C4CCCCC4)[C@@H]4CCCO[C@@H]4c3c2)cc1Cl |r|
Clc1ccccc1Oc1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
Clc1cccc(Oc2ccc3N[C@@H](C4CCCCC4)[C@@H]4CCCO[C@@H]4c3c2)c1 |r|
Clc1cccc(Oc2ccc3N[C@H](C4CCCCC4)[C@@H]4CCCO[C@@H]4c3c2)c1 |r|
Clc1ccc(Oc2ccc3N[C@@H](C4CCCCC4)[C@@H]4CCCO[C@@H]4c3c2)cc1 |r|
Clc1ccc(Oc2ccc3N[C@H](C4CCCCC4)[C@@H]4CCCO[C@@H]4c3c2)cc1 |r|
Clc1ccc(CCN2CCOCC2)cc1Cl
COc1ccc2c(CCCCN3C(C)(C)CCCC3(C)C)cccc2c1
COc1ccc2c(CCCN3C(C)(C)CCCC3(C)C)cccc2c1
COc1ccc2c(CCCCN3[C@@H](C)CCC[C@H]3C)cccc2c1 |r|
COc1ccc2c(CCCN3[C@@H](C)CCC[C@H]3C)cccc2c1 |r|
COc1ccc2C(CCCCN3C(C)(C)CCCC3(C)C)CCCc2c1
COc1ccc2C(CCCN3C(C)(C)CCCC3(C)C)CCCc2c1
COc1ccc2C(CCCCN3[C@@H](C)CCC[C@H]3C)CCCc2c1 |r|
COc1ccc2C(CCCN3[C@@H](C)CCC[C@H]3C)CCCc2c1 |r|
O=C1OC2(CCN(Cc3ccccc3)CC2)c2c(sc(c12)-c1ccc(cc1)-c1ccccc1)-c1ccc(cc1)-c1ccccc1
O=C1OC2(CCN(Cc3ccccc3)CC2)c2c1csc2-c1ccc(cc1)-c1ccccc1
O=C1OC2(CCN(Cc3ccccc3)CC2)c2csc(c12)-c1ccc(cc1)-c1ccccc1
O=C1OC2(CCN(Cc3ccccc3)CC2)c2c(sc(c12)-c1cccc2ccccc12)-c1cccc2ccccc12
O=C1OC2(CCN(Cc3ccccc3)CC2)c2c1csc2-c1cccc2ccccc12
O=C1OC2(CCN(Cc3ccccc3)CC2)c2csc(c12)-c1cccc2ccccc12
O=C1OC2(CCN(Cc3ccccc3)CC2)c2c(sc(c12)-c1ccc(cc1)C#N)-c1ccc(cc1)C#N
O=C1OC2(CCN(Cc3ccccc3)CC2)c2c1csc2-c1ccc(cc1)C#N
O=C1OC2(CCN(Cc3ccccc3)CC2)c2csc(c12)-c1ccc(cc1)C#N
COc1ccc(cc1)-c1sc(c2c1C(=O)OC21CCN(Cc2ccccc2)CC1)-c1ccc(OC)cc1
COc1ccc(cc1)-c1scc2c1C(=O)OC21CCN(Cc2ccccc2)CC1
O=C1OC2(CCN(Cc3ccccc3)CC2)c2c(sc(c12)-c1ccccc1)-c1ccccc1
O=C1OC2(CCN(Cc3ccccc3)CC2)c2c1csc2-c1ccccc1
O=C1OC2(CCN(Cc3ccccc3)CC2)c2csc(c12)-c1ccccc1
COc1ccc(cc1)-c1csc2c1CC(=O)OC21CCN(Cc2ccccc2)CC1
O=C1Cc2c(csc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccccc1
O=C1Cc2cc(sc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccccc1
O=C1Cc2c(csc2-c2ccc(cc2)-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1
O=C1Cc2c(csc2-c2ccc(cc2)C#N)C2(CCN(Cc3ccccc3)CC2)O1
COc1ccc(cc1)-c1scc2c1CC(=O)OC21CCN(Cc2ccccc2)CC1
O=C1Cc2c(csc2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1
O=C1OC2(CCN(Cc3ccccc3)CC2)c2cscc12
O=C1Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1
O=C1Cc2cscc2C2(CCN(Cc3ccccc3)CC2)O1
Ic1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
FCCOCCOCCOc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
FCCOCCOc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
FCCOc1ccc(CN2CCC3(CC2)OCc2ccccc32)cn1
FCCOc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
COc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4
C[C@H]1[C@H](CC(=O)N1CC(N)=O)c1ccccc1 |r|
CCCCCN(C)C(=O)CN1CCNC2(CCCCC2)C1
O=C(CN1CCN2CCCCC2C1)NC1CCCCC1
O=C(CN1CCN2CCC[C@H]2C1)NC1CCCCC1 |r|
O=C(CN1CCN2CCC[C@@H]2C1)NC1CCCCC1 |r|
CC(N1CCN(CC1)C(=O)C1CCCCC1)C(=O)NCCC1CCCCCCC1
CC(C)(N1CCN(CC1)C1CCCC1)C(=O)NC1CCCCC1
CC(=O)N1CCCN(CCC(=O)NC2CCCCCC2)CC1
CCCCCN(C)C(=O)CN1CCCNCC1
CN1CCCN(CC(=O)NCCCC2CCCC2)CC1
CC(C)N1CCCN(CC(=O)N[C@H](C)C(C)(C)C)CC1 |r|
CCC(=O)N1CCN(CC1)C(C)C(=O)NC1CCCC1
C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)CN1CCN(CC1)C1CCCCC1)C2(C)C |r|
CC(C)(C)CCNC(=O)CN1CCN(CC1)C(=O)C1CCCCC1
CC(C)NC(=O)C(C)(C)N1CCN(CC1)C1CCCCC1
C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)CN1CCNCC1)C2(C)C |r|
O=C(CN1CCNCC1)N[C@H]1C[C@@H]2CC[C@H]1C2 |r|
CC(C)(C)CCNC(=O)CN1CCNCC1
CC(N1CCNCC1)C(=O)NCCC1CCCCCCC1
O=C(CN1CCN(CC1)C1CCCC1)NC1CCCCC1
CN(C1CCCC1)C(=O)CN1CCNCC1
CCC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1
CCC(CC)NC(=O)CN1CCN(CC1)C(=O)CC
CCCCC(N1CCNCC1)C(=O)NC1CCCCC1
CCCCN(CCC)C(=O)CN1CCNCC1
O=C(CCN1CCN(CC1)C(=O)C1CC1)NC1CCCCC1
CCCCN(CCC)C(=O)CN1C[C@H](C)NC[C@H]1C |r|
CCC(CC)NC(=O)CN1CCCN(C)CC1
CCC(C)CNC(=O)CN1CCN(CC1)C(=O)CC
CCN1CCN(CC(=O)N(C)C2CCCC2)CC1C
CCC(N1CCN(CC1)C1CCCC1)C(=O)NC1CCCCC1
CN1CCCN(CC(=O)NC2CCCCC2)CC1
CC(C)NC(=O)CN1CCNCC1
O=C(CN1CCNCC1)NC1CCCCC1
CC(N)Cc1c[nH]c2ccccc12
O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2)CC1
Clc1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
Brc1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
Ic1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
Cc1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
Fc1cccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Clc1cccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Ic1cccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Cc1cccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Brc1ccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)cc1
COc1ccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)cc1
O=S(=O)(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
Clc1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1
Brc1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1
Ic1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1
Cc1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1
O=S(=O)(N1CCC(Cc2ccccc2)CC1)c1ccccc1
O=S(=O)(N1CCN(Cc2ccccc2)CC1)c1ccccc1
Clc1ccc(cc1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1
Clc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
O=S(=O)(CCc1ccccc1)N1CCC(Cc2ccccc2)CC1
O=S(=O)(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1
O=S(=O)(\C=C\c1ccccc1)N1CCC(Cc2ccccc2)CC1
O=S(=O)(\C=C\c1ccccc1)N1CCN(Cc2ccccc2)CC1
Brc1ccc(\C=C\S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1
Brc1ccc(\C=C\S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1
OC[C@@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1 |r|
CNc1ccc(cc1)C(=O)C1CCN(CC1)C1Cc2ccccc2CC1O
CNc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1Cc2ccccc2C[C@@H]1O |r|
Cn1cccc1C(=O)C1CCN(CC1)[C@@H]1Cc2cccc(N)c2C[C@H]1O |r|
COc1ccc(cn1)C(=O)C1CCN(CC1)[C@@H]1Cc2c(N)cccc2C[C@H]1O |r|
Cc1ccc(cn1)C(=O)C1CCN(CC1)[C@@H]1Cc2c(N)cccc2C[C@H]1O |r|
Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)C(=O)c1cccnc1 |r|
Cn1cccc1C(=O)C1CCN(CC1)[C@@H]1Cc2c(N)cccc2C[C@H]1O |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ncccc1OCCF |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCF)nc1 |r|
CNc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
CN(C)c1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1cccnc1F |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)nc1 |r|
Cn1c(cccc1=O)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
Cn1ccc(cc1=O)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1cncc(F)c1 |r|
COc1cccnc1C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
COc1ccc(cn1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
Cc1ccc(cn1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1cccnc1 |r|
Cn1ccc(c1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
Cn1cccc1C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
NC1=NCc2cc(Cl)ccc2N1 |t:1|
C(CC1CCCc2sccc12)NCC1CCCCC1
C(CNCCC1CCCc2sccc12)Cc1ccccc1
C(CC1CCCc2sccc12)NCCc1ccccc1
C(CC1CCCc2sccc12)NCc1ccccc1
Cn1ncc2C(CCN3CCC(CC3)c3ccccc3)CCCc12
COc1cc2CCN(CCCN3CCc4cc(F)ccc4C3=O)Cc2cc1OC
COc1cc2CCN(CCCN3CCc4cc(OC)c(OC)cc4C3=O)Cc2cc1OC
COc1cccc2CCN(CCCN3CCc4cc(OC)c(OC)cc4C3)C(=O)c12
COc1ccc2C(=O)N(CCCN3CCc4cc(OC)c(OC)cc4C3)CCc2c1
COc1cc2CCN(CCCN3CCc4c(OCCF)cccc4C3=O)Cc2cc1OC
C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN2[C@@H](CCC2=O)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccncc2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2cccnc2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccccn2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
COc1ccc(CN2CC3CCCC2CN3Cc2ccccc2)cc1 |TLB:6:7:15.14:10.11.12,THB:16:15:8.7:10.11.12|
COc1ccc(C)cc1NC(=O)OC1CC23CC(CC2(C1)CCCC3)NCc1ccccc1 |(10.28,-21.74,;11.61,-20.98,;11.61,-19.44,;10.28,-18.67,;10.28,-17.12,;11.61,-16.35,;11.6,-14.81,;12.94,-17.12,;12.95,-18.67,;14.28,-19.43,;15.62,-18.66,;15.61,-17.12,;16.95,-19.43,;18.28,-18.66,;19.75,-17.82,;21.23,-18.67,;22.67,-17.81,;23.62,-18.82,;22.26,-18.63,;20.5,-20.2,;19.63,-19.01,;22.15,-21.35,;22.53,-22.67,;23.26,-21.13,;21.66,-20.06,;24.95,-19.59,;26.28,-18.82,;27.62,-19.59,;27.61,-21.13,;28.95,-21.9,;30.28,-21.13,;30.28,-19.58,;28.94,-18.82,)|
CNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
Oc1ccc2[nH]cc(C(=O)CN3CCC(O)(CC3)c3ccc(Br)cc3)c2c1
Oc1ccc2[nH]cc(C(=O)CN3CCC(O)(CC3)c3ccc(Cl)cc3)c2c1
Oc1ccc2[nH]cc(C(=O)CN3CCC(O)(CC3)c3ccccc3)c2c1
Oc1ccc2[nH]cc(C(=O)CN3CCC(CC3)c3ccccc3)c2c1
COc1ccc2[nH]cc(C(=O)CN3CCC(O)(CC3)c3ccc(Br)cc3)c2c1
COc1ccc2[nH]cc(C(=O)CN3CCC(O)(CC3)c3ccc(Cl)cc3)c2c1
COc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
COc1ccc2[nH]cc(C(=O)CN3CCC(O)(CC3)c3ccccc3)c2c1
COc1ccc2[nH]cc(C(=O)CN3CCC(CC3)c3ccccc3)c2c1
CCCN(CCCc1ccccc1)CCc1ccc(N=[N+]=[N-])c(I)c1
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2CCc1ccc(N=[N+]=[N-])c(I)c1 |r,THB:21:20:4.10.9:6.7|
CN1CCc2c(C1)c1cccc3Cc4ccccc4Cn2c13
CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
[H][C@@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1ccc(cc21)N1CCOCC1 |r|
[H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCC1 |r|
[H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC(C)=C)CC1 |r|
[H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(C)CC1 |r|
[H][C@@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1ccc(cc21)-c1cccc(OC)c1 |r|
[H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC(=O)OCC)CC1 |r|
CCOC(=O)C[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccc(C)cc2C)O1 |r,wU:17.21,wD:6.5,(21.82,-5.58,;23.14,-6.36,;24.48,-5.59,;25.81,-6.37,;25.8,-7.91,;27.15,-5.61,;28.48,-6.39,;29.82,-5.63,;31.13,-6.4,;32.46,-5.62,;33.79,-6.39,;33.8,-7.94,;32.46,-8.71,;31.13,-7.94,;29.79,-8.7,;28.46,-9.46,;28.45,-10.99,;29.77,-11.77,;31.11,-11.01,;31.12,-9.47,;29.76,-13.31,;28.42,-14.07,;28.41,-15.61,;29.74,-16.38,;29.74,-17.91,;28.39,-18.68,;28.38,-20.22,;27.06,-17.9,;27.07,-16.36,;25.75,-15.58,;28.47,-7.93,)|
CCOC(=O)C[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:6.5,17.21,(36.64,-28.39,;37.97,-29.17,;39.31,-28.4,;40.63,-29.18,;40.62,-30.72,;41.97,-28.42,;43.3,-29.2,;44.64,-28.44,;45.96,-29.21,;47.28,-28.43,;48.62,-29.2,;48.62,-30.75,;47.28,-31.52,;45.95,-30.75,;44.62,-31.51,;43.28,-32.27,;43.27,-33.8,;44.6,-34.58,;45.93,-33.82,;45.95,-32.28,;44.58,-36.12,;43.24,-36.87,;43.22,-38.41,;44.55,-39.19,;45.89,-38.43,;45.91,-36.89,;44.54,-40.73,;43.19,-41.48,;43.17,-43.01,;44.49,-43.81,;45.84,-43.05,;45.86,-41.51,;43.29,-30.74,)|
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@@H](CCO)Cc2ccccc32)c(C)c1 |r,wU:14.15,7.6,(8.81,-41.13,;8.82,-39.59,;10.15,-38.83,;10.16,-37.3,;8.84,-36.53,;8.85,-35,;10.19,-34.25,;10.2,-32.7,;8.88,-31.92,;8.88,-30.39,;10.22,-29.62,;11.56,-30.39,;11.54,-31.94,;8.9,-28.85,;8.91,-27.31,;7.58,-26.53,;6.24,-27.29,;4.9,-26.51,;10.25,-26.55,;11.57,-27.32,;12.89,-26.54,;14.23,-27.31,;14.24,-28.86,;12.9,-29.64,;11.56,-28.86,;7.5,-37.28,;6.17,-36.5,;7.49,-38.81,)|
COc1cc2CCN(Cc2cc1OC)[C@H]1CCC2(CC1)O[C@H](CCO)Cc1ccccc21 |r,wU:14.15,wD:21.24,(41.86,-19.98,;40.54,-19.19,;40.56,-17.65,;41.89,-16.9,;41.91,-15.37,;43.26,-14.61,;43.27,-13.06,;41.95,-12.29,;40.6,-13.05,;40.59,-14.58,;39.25,-15.32,;39.23,-16.86,;37.88,-17.62,;36.56,-16.83,;41.96,-10.75,;40.63,-9.97,;40.64,-8.44,;41.98,-7.68,;43.31,-8.45,;43.3,-9.99,;40.66,-6.9,;40.66,-5.37,;39.33,-4.59,;37.99,-5.35,;36.66,-4.57,;42,-4.61,;43.32,-5.38,;44.64,-4.6,;45.98,-5.37,;45.99,-6.92,;44.65,-7.69,;43.31,-6.92,)|
FCC[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:14.18,wD:3.2,(21.73,-5.98,;23.06,-6.76,;24.4,-6,;25.73,-6.78,;27.06,-6.02,;28.38,-6.79,;29.71,-6.01,;31.04,-6.78,;31.05,-8.33,;29.71,-9.1,;28.38,-8.33,;27.04,-9.09,;25.7,-9.85,;25.7,-11.38,;27.02,-12.16,;28.36,-11.4,;28.37,-9.86,;27.01,-13.7,;25.67,-14.45,;25.65,-15.99,;26.98,-16.77,;28.32,-16.01,;28.34,-14.47,;26.97,-18.31,;25.62,-19.06,;25.6,-20.59,;26.92,-21.39,;28.27,-20.63,;28.29,-19.09,;25.72,-8.32,)|
COc1cc2CCN(Cc2cc1OC)[C@H]1CCC2(CC1)O[C@@H](CCF)Cc1ccccc21 |r,wU:21.24,14.15,(45.53,-43.88,;44.2,-43.09,;44.22,-41.55,;45.56,-40.8,;45.58,-39.27,;46.92,-38.51,;46.94,-36.96,;45.61,-36.19,;44.26,-36.94,;44.25,-38.47,;42.91,-39.22,;42.89,-40.76,;41.54,-41.51,;40.22,-40.73,;45.62,-34.65,;44.29,-33.87,;44.3,-32.34,;45.64,-31.57,;46.97,-32.34,;46.96,-33.89,;44.32,-30.8,;44.33,-29.27,;43,-28.49,;41.66,-29.25,;40.33,-28.47,;45.66,-28.51,;46.98,-29.28,;48.31,-28.5,;49.64,-29.26,;49.65,-30.82,;48.31,-31.59,;46.98,-30.82,)|
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NC2CCc3ccccc3CC2)O1 |r,wU:2.1,13.17,(11.9,-25.92,;13.24,-25.16,;14.56,-25.94,;15.9,-25.18,;17.22,-25.95,;18.54,-25.17,;19.88,-25.94,;19.88,-27.49,;18.55,-28.26,;17.21,-27.49,;15.88,-28.25,;14.54,-29.01,;14.53,-30.54,;15.86,-31.32,;17.2,-30.56,;17.21,-29.02,;15.85,-32.86,;14.5,-33.61,;14.59,-35.15,;13.45,-36.18,;11.93,-35.95,;11.15,-37.27,;9.61,-37.26,;8.85,-35.91,;9.64,-34.58,;11.18,-34.6,;11.76,-33.17,;13.24,-32.73,;14.56,-27.48,)|
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccccc2)O1 |r,wU:13.17,wD:2.1,(39.25,-18.17,;39.24,-19.72,;40.57,-20.49,;41.91,-19.74,;43.23,-20.51,;44.55,-19.73,;45.89,-20.49,;45.89,-22.04,;44.56,-22.82,;43.22,-22.05,;41.89,-22.8,;40.55,-23.57,;40.54,-25.1,;41.87,-25.88,;43.2,-25.12,;43.22,-23.57,;41.85,-27.42,;40.51,-28.18,;40.5,-29.73,;39.16,-30.48,;39.15,-32.02,;40.48,-32.8,;41.83,-32.03,;41.83,-30.49,;40.56,-22.03,)|
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccccc2)O1 |r,wU:2.1,13.17,(39.25,-35.27,;39.24,-36.81,;40.57,-37.59,;41.91,-36.83,;43.23,-37.6,;44.55,-36.82,;45.89,-37.59,;45.89,-39.14,;44.56,-39.91,;43.22,-39.14,;41.89,-39.9,;40.55,-40.66,;40.54,-42.2,;41.87,-42.98,;43.2,-42.21,;43.22,-40.67,;41.85,-44.52,;40.51,-45.28,;40.5,-46.82,;39.16,-47.57,;39.15,-49.11,;40.48,-49.9,;41.83,-49.13,;41.83,-47.59,;40.56,-39.13,)|
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccc(C)cc2C)O1 |r,wU:13.17,wD:2.1,(65.03,-3.22,;65.02,-4.76,;66.35,-5.54,;67.69,-4.78,;69.01,-5.55,;70.33,-4.77,;71.67,-5.54,;71.68,-7.09,;70.34,-7.86,;69,-7.09,;67.67,-7.85,;66.33,-8.61,;66.32,-10.14,;67.65,-10.92,;68.99,-10.16,;69,-8.62,;67.64,-12.47,;66.3,-13.23,;66.29,-14.77,;67.61,-15.53,;67.61,-17.07,;66.26,-17.84,;66.26,-19.38,;64.93,-17.06,;64.95,-15.52,;63.62,-14.74,;66.35,-7.08,)|
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccc(C)cc2C)O1 |r,wU:2.1,13.17,(63.75,-21.76,;63.74,-23.3,;65.07,-24.08,;66.41,-23.32,;67.73,-24.1,;69.05,-23.32,;70.39,-24.08,;70.39,-25.63,;69.05,-26.4,;67.72,-25.63,;66.38,-26.39,;65.04,-27.15,;65.04,-28.69,;66.36,-29.47,;67.7,-28.71,;67.71,-27.16,;66.35,-31.01,;65.01,-31.77,;65,-33.31,;66.33,-34.08,;66.32,-35.62,;64.98,-36.39,;64.97,-37.93,;63.65,-35.6,;63.66,-34.06,;62.33,-33.28,;65.06,-25.62,)|
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:13.17,wD:2.1,(7.52,-1.04,;7.51,-2.58,;8.84,-3.36,;10.17,-2.6,;11.49,-3.37,;12.82,-2.59,;14.16,-3.36,;14.16,-4.91,;12.82,-5.68,;11.49,-4.91,;10.15,-5.67,;8.81,-6.43,;8.8,-7.96,;10.13,-8.74,;11.47,-7.98,;11.48,-6.44,;10.12,-10.29,;8.77,-11.04,;8.76,-12.57,;10.09,-13.36,;11.43,-12.6,;11.45,-11.05,;10.07,-14.89,;8.73,-15.65,;8.71,-17.18,;10.03,-17.98,;11.38,-17.22,;11.4,-15.68,;8.83,-4.9,)|
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:2.1,13.17,(8.95,-24.18,;8.94,-25.72,;10.27,-26.5,;11.61,-25.74,;12.93,-26.52,;14.25,-25.74,;15.59,-26.5,;15.59,-28.05,;14.25,-28.82,;12.92,-28.05,;11.58,-28.81,;10.24,-29.57,;10.24,-31.11,;11.56,-31.89,;12.9,-31.13,;12.91,-29.58,;11.55,-33.43,;10.21,-34.18,;10.19,-35.71,;11.52,-36.5,;12.86,-35.74,;12.88,-34.2,;11.51,-38.04,;10.16,-38.79,;10.14,-40.33,;11.46,-41.12,;12.81,-40.36,;12.83,-38.82,;10.26,-28.04,)|
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCc3cc(OC)c(OC)cc3C2)O1 |r,wU:13.17,wD:2.1,(25.72,-1.85,;25.71,-3.4,;27.04,-4.18,;28.38,-3.42,;29.7,-4.19,;31.02,-3.41,;32.36,-4.17,;32.36,-5.73,;31.02,-6.5,;29.69,-5.73,;28.35,-6.49,;27.01,-7.25,;27.01,-8.78,;28.33,-9.56,;29.67,-8.8,;29.68,-7.25,;28.32,-11.1,;29.65,-11.87,;29.63,-13.42,;28.29,-14.18,;28.27,-15.71,;26.93,-16.46,;26.91,-18,;25.57,-18.76,;25.6,-15.67,;24.26,-16.43,;22.93,-15.64,;25.62,-14.13,;26.97,-13.38,;26.98,-11.85,;27.03,-5.71,)|
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCc3cc(OC)c(OC)cc3C2)O1 |r,wU:2.1,13.17,(27.01,-23.78,;27,-25.32,;28.33,-26.1,;29.67,-25.34,;30.99,-26.11,;32.32,-25.34,;33.65,-26.1,;33.66,-27.65,;32.32,-28.42,;30.98,-27.65,;29.65,-28.41,;28.31,-29.17,;28.3,-30.71,;29.63,-31.49,;30.97,-30.73,;30.98,-29.18,;29.62,-33.03,;30.94,-33.8,;30.93,-35.34,;29.58,-36.1,;29.56,-37.64,;28.23,-38.39,;28.21,-39.93,;26.87,-40.69,;26.9,-37.6,;25.55,-38.35,;24.23,-37.56,;26.92,-36.06,;28.26,-35.31,;28.27,-33.78,;28.33,-27.64,)|
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@H](O)Cc2ccccc32)c(C)c1 |r,wU:7.6,wD:14.15,(44.4,-19.23,;44.41,-17.69,;45.75,-16.92,;45.76,-15.39,;44.43,-14.62,;44.44,-13.08,;45.78,-12.32,;45.79,-10.78,;44.47,-9.99,;44.47,-8.46,;45.81,-7.7,;47.14,-8.47,;47.13,-10.01,;44.49,-6.93,;44.5,-5.39,;43.17,-4.61,;45.83,-4.63,;47.15,-5.4,;48.48,-4.62,;49.82,-5.39,;49.82,-6.94,;48.48,-7.71,;47.15,-6.94,;43.09,-15.37,;41.76,-14.59,;43.08,-16.91,)|
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@@H](O)Cc2ccccc32)c(C)c1 |r,wU:14.15,7.6,(44.04,-39.83,;44.05,-38.28,;45.4,-37.52,;45.4,-35.98,;44.07,-35.21,;44.09,-33.67,;45.43,-32.91,;45.44,-31.37,;44.11,-30.59,;44.12,-29.05,;45.46,-28.29,;46.79,-29.06,;46.78,-30.6,;44.13,-27.52,;44.14,-25.98,;42.81,-25.2,;45.48,-25.22,;46.8,-25.99,;48.12,-25.22,;49.46,-25.98,;49.47,-27.53,;48.13,-28.3,;46.79,-27.53,;42.73,-35.96,;41.41,-35.18,;42.72,-37.5,)|
O[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:12.16,wD:1.0,(55.77,-2.29,;57.1,-3.07,;58.44,-2.31,;59.76,-3.08,;61.08,-2.3,;62.42,-3.07,;62.42,-4.62,;61.08,-5.39,;59.75,-4.62,;58.41,-5.38,;57.08,-6.14,;57.07,-7.68,;58.39,-8.46,;59.73,-7.69,;59.75,-6.15,;58.38,-10,;57.04,-10.75,;57.02,-12.28,;58.35,-13.07,;59.69,-12.31,;59.71,-10.77,;58.34,-14.61,;56.99,-15.36,;56.97,-16.9,;58.29,-17.69,;59.64,-16.93,;59.66,-15.39,;57.09,-4.61,)|
O[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:1.0,12.16,(56.67,-24.62,;58,-25.4,;59.33,-24.64,;60.65,-25.41,;61.98,-24.63,;63.31,-25.39,;63.32,-26.95,;61.98,-27.72,;60.65,-26.95,;59.31,-27.71,;57.97,-28.47,;57.96,-30,;59.29,-30.78,;60.63,-30.02,;60.64,-28.48,;59.28,-32.32,;57.93,-33.07,;57.92,-34.61,;59.25,-35.4,;60.59,-34.64,;60.61,-33.09,;59.23,-36.93,;57.89,-37.69,;57.87,-39.22,;59.19,-40.01,;60.54,-39.26,;60.56,-37.71,;57.99,-26.93,)|
COc1cc2CCN(Cc2cc1OC)[C@H]1CCC2(CC1)O[C@H](O)Cc1ccccc21 |r,wU:14.15,wD:21.24,(10.33,-20.9,;11.67,-20.14,;11.69,-18.6,;13.02,-17.85,;13.04,-16.32,;14.39,-15.56,;14.41,-14.01,;13.08,-13.24,;11.73,-14,;11.72,-15.53,;10.38,-16.27,;10.36,-17.81,;9.01,-18.57,;7.69,-17.78,;13.09,-11.7,;11.76,-10.92,;11.77,-9.39,;13.11,-8.63,;14.44,-9.4,;14.43,-10.94,;11.79,-7.85,;11.8,-6.32,;10.47,-5.54,;13.13,-5.56,;14.45,-6.33,;15.78,-5.55,;17.11,-6.31,;17.12,-7.87,;15.78,-8.64,;14.44,-7.87,)|
COc1cc2CCN(Cc2cc1OC)[C@H]1CCC2(CC1)O[C@@H](O)Cc1ccccc21 |r,wU:21.24,14.15,(11.62,-42.83,;12.96,-42.07,;12.98,-40.53,;14.32,-39.77,;14.34,-38.24,;15.68,-37.48,;15.7,-35.94,;14.37,-35.17,;13.03,-35.92,;13.02,-37.45,;11.67,-38.2,;11.65,-39.74,;10.31,-40.49,;8.98,-39.7,;14.38,-33.63,;13.06,-32.85,;13.06,-31.31,;14.4,-30.55,;15.73,-31.32,;15.72,-32.87,;13.08,-29.78,;13.09,-28.24,;11.76,-27.46,;14.43,-27.48,;15.75,-28.25,;17.07,-27.48,;18.41,-28.24,;18.41,-29.79,;17.07,-30.56,;15.74,-29.79,)|
CCOC(=O)C[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccc(C)cc2C)O1 |r,wU:6.5,17.21,(21.36,-26.74,;22.69,-27.52,;24.02,-26.76,;25.35,-27.54,;25.34,-29.08,;26.69,-26.78,;28.02,-27.56,;29.36,-26.8,;30.68,-27.57,;32,-26.79,;33.33,-27.55,;33.34,-29.11,;32,-29.88,;30.67,-29.11,;29.33,-29.86,;28,-30.63,;27.99,-32.16,;29.31,-32.94,;30.65,-32.18,;30.66,-30.63,;29.3,-34.48,;27.96,-35.24,;27.95,-36.78,;29.28,-37.55,;29.28,-39.08,;27.93,-39.85,;27.92,-41.39,;26.6,-39.07,;26.61,-37.53,;25.29,-36.75,;28.01,-29.09,)|
CCOC(=O)C[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:17.21,wD:6.5,(36.26,-6.61,;37.59,-7.39,;38.93,-6.63,;40.26,-7.41,;40.25,-8.95,;41.6,-6.65,;42.93,-7.42,;44.26,-6.67,;45.58,-7.44,;46.9,-6.66,;48.24,-7.42,;48.24,-8.97,;46.91,-9.74,;45.57,-8.97,;44.24,-9.73,;42.9,-10.49,;42.89,-12.03,;44.22,-12.81,;45.56,-12.04,;45.57,-10.5,;44.21,-14.35,;42.86,-15.1,;42.85,-16.63,;44.17,-17.42,;45.52,-16.66,;45.53,-15.11,;44.16,-18.95,;42.82,-19.7,;42.8,-21.24,;44.12,-22.03,;45.46,-21.28,;45.49,-19.73,;42.92,-8.96,)|
CCOC(=O)C[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCc3cc(OC)c(OC)cc3C2)O1 |r,wU:17.21,wD:6.5,(54.32,-5.39,;55.65,-6.17,;56.98,-5.4,;58.32,-6.18,;58.31,-7.72,;59.65,-5.42,;60.98,-6.2,;62.32,-5.44,;63.64,-6.21,;64.97,-5.43,;66.3,-6.2,;66.31,-7.75,;64.97,-8.52,;63.63,-7.75,;62.3,-8.51,;60.96,-9.27,;60.95,-10.81,;62.28,-11.59,;63.62,-10.82,;63.63,-9.28,;62.27,-13.13,;63.59,-13.9,;63.58,-15.44,;62.23,-16.2,;62.21,-17.73,;60.88,-18.49,;60.86,-20.03,;62.19,-20.81,;59.55,-17.7,;58.2,-18.45,;56.88,-17.66,;59.57,-16.16,;60.91,-15.41,;60.92,-13.88,;60.98,-7.74,)|
CCOC(=O)C[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCc3cc(OC)c(OC)cc3C2)O1 |r,wU:6.5,17.21,(56.24,-27.53,;57.57,-28.31,;58.9,-27.55,;60.23,-28.33,;60.22,-29.87,;61.57,-27.56,;62.9,-28.34,;64.24,-27.59,;65.56,-28.36,;66.89,-27.58,;68.22,-28.34,;68.23,-29.89,;66.89,-30.67,;65.55,-29.89,;64.22,-30.65,;62.88,-31.42,;62.87,-32.95,;64.2,-33.73,;65.54,-32.97,;65.55,-31.42,;64.19,-35.27,;65.51,-36.04,;65.5,-37.59,;64.15,-38.35,;64.13,-39.88,;62.8,-40.63,;62.78,-42.17,;64.11,-42.96,;61.47,-39.84,;60.12,-40.6,;58.8,-39.81,;61.49,-38.3,;62.83,-37.55,;62.84,-36.02,;62.9,-29.88,)|
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@H](CCO)Cc2ccccc32)c(C)c1 |r,wU:7.6,wD:14.15,(9.35,-17.85,;9.36,-16.31,;10.7,-15.55,;10.7,-14.02,;9.38,-13.25,;9.39,-11.72,;10.74,-10.97,;10.75,-9.42,;9.42,-8.64,;9.43,-7.11,;10.77,-6.34,;12.1,-7.11,;12.09,-8.66,;9.45,-5.57,;9.45,-4.03,;8.12,-3.25,;6.78,-4.01,;5.45,-3.23,;10.79,-3.27,;12.11,-4.05,;13.44,-3.26,;14.78,-4.03,;14.78,-5.58,;13.44,-6.36,;12.11,-5.58,;8.05,-14,;6.72,-13.22,;8.04,-15.54,)|
OCC[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:14.18,wD:3.2,(19.52,-4.75,;20.84,-5.53,;22.18,-4.76,;23.51,-5.54,;24.85,-4.79,;26.17,-5.56,;27.49,-4.78,;28.83,-5.54,;28.83,-7.09,;27.49,-7.86,;26.16,-7.09,;24.83,-7.85,;23.49,-8.61,;23.48,-10.14,;24.81,-10.93,;26.14,-10.16,;26.16,-8.62,;24.79,-12.47,;23.45,-13.22,;23.44,-14.75,;24.76,-15.54,;26.1,-14.78,;26.12,-13.23,;24.75,-17.07,;23.4,-17.82,;23.38,-19.36,;24.71,-20.15,;26.05,-19.4,;26.07,-17.85,;23.51,-7.08,)|
OCC[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:3.2,14.18,(20,-26.1,;21.33,-26.87,;22.67,-26.11,;24,-26.89,;25.33,-26.13,;26.65,-26.9,;27.97,-26.13,;29.31,-26.89,;29.31,-28.44,;27.98,-29.21,;26.64,-28.44,;25.31,-29.2,;23.97,-29.96,;23.96,-31.49,;25.29,-32.27,;26.63,-31.51,;26.64,-29.97,;25.28,-33.81,;23.93,-34.56,;23.92,-36.1,;25.24,-36.89,;26.59,-36.13,;26.6,-34.58,;25.23,-38.42,;23.89,-39.17,;23.87,-40.71,;25.19,-41.5,;26.53,-40.75,;26.56,-39.2,;23.99,-28.43,)|
COc1cc2CCN(Cc2cc1OC)[C@H]1CCC2(CC1)O[C@@H](CCO)Cc1ccccc21 |r,wU:21.24,14.15,(43.31,-42.64,;41.99,-41.86,;42,-40.32,;43.34,-39.56,;43.36,-38.03,;44.71,-37.27,;44.72,-35.73,;43.4,-34.96,;42.05,-35.71,;42.04,-37.24,;40.7,-37.99,;40.67,-39.53,;39.33,-40.28,;38,-39.49,;43.41,-33.42,;42.08,-32.64,;42.09,-31.1,;43.43,-30.34,;44.76,-31.11,;44.75,-32.65,;42.11,-29.57,;42.11,-28.03,;40.78,-27.25,;39.44,-28.01,;38.11,-27.23,;43.45,-27.27,;44.77,-28.04,;46.09,-27.26,;47.43,-28.03,;47.44,-29.58,;46.1,-30.35,;44.76,-29.58,)|
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@H](CCF)Cc2ccccc32)c(C)c1 |r,wU:7.6,wD:14.15,(11.57,-19.09,;11.58,-17.55,;12.92,-16.79,;12.92,-15.26,;11.6,-14.49,;11.61,-12.96,;12.96,-12.21,;12.97,-10.66,;11.64,-9.88,;11.65,-8.35,;12.99,-7.58,;14.32,-8.35,;14.31,-9.9,;11.67,-6.81,;11.68,-5.27,;10.34,-4.49,;9,-5.25,;7.67,-4.47,;13.01,-4.51,;14.33,-5.28,;15.66,-4.5,;17,-5.27,;17,-6.82,;15.66,-7.6,;14.33,-6.82,;10.27,-15.24,;8.94,-14.46,;10.26,-16.78,)|
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@@H](CCF)Cc2ccccc32)c(C)c1 |r,wU:14.15,7.6,(11.03,-42.37,;11.04,-40.83,;12.37,-40.06,;12.38,-38.54,;11.06,-37.77,;11.07,-36.24,;12.41,-35.48,;12.43,-33.94,;11.1,-33.16,;11.11,-31.63,;12.45,-30.86,;13.78,-31.63,;13.77,-33.18,;11.12,-30.09,;11.13,-28.55,;9.8,-27.77,;8.46,-28.53,;7.13,-27.75,;12.47,-27.79,;13.79,-28.56,;15.12,-27.78,;16.45,-28.55,;16.46,-30.1,;15.12,-30.87,;13.78,-30.1,;9.72,-38.52,;8.39,-37.74,;9.71,-40.05,)|
FCC[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:3.2,14.18,(22.21,-27.33,;23.54,-28.11,;24.88,-27.35,;26.21,-28.13,;27.55,-27.37,;28.87,-28.14,;30.19,-27.36,;31.53,-28.13,;31.53,-29.68,;30.19,-30.45,;28.86,-29.68,;27.53,-30.43,;26.19,-31.2,;26.18,-32.73,;27.5,-33.51,;28.84,-32.75,;28.85,-31.2,;27.49,-35.05,;26.15,-35.8,;26.13,-37.33,;27.46,-38.12,;28.8,-37.36,;28.82,-35.82,;27.45,-39.66,;26.1,-40.41,;26.08,-41.94,;27.4,-42.73,;28.75,-41.98,;28.77,-40.44,;26.2,-29.66,)|
COc1cc2CCN(Cc2cc1OC)[C@H]1CCC2(CC1)O[C@H](CCF)Cc1ccccc21 |r,wU:14.15,wD:21.24,(44.08,-21.22,;42.76,-20.43,;42.78,-18.89,;44.11,-18.14,;44.13,-16.61,;45.48,-15.85,;45.49,-14.3,;44.17,-13.53,;42.82,-14.28,;42.81,-15.81,;41.47,-16.56,;41.45,-18.1,;40.1,-18.86,;38.78,-18.07,;44.18,-11.99,;42.85,-11.21,;42.86,-9.68,;44.2,-8.91,;45.53,-9.68,;45.52,-11.23,;42.88,-8.14,;42.88,-6.6,;41.55,-5.83,;40.21,-6.59,;38.88,-5.81,;44.22,-5.85,;45.54,-6.62,;46.87,-5.84,;48.2,-6.6,;48.21,-8.15,;46.87,-8.93,;45.53,-8.16,)|
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCCCc2cn(-c3ccc(F)cc3)c3ccccc23)O1 |r,wU:13.17,wD:2.1,(56.3,-6.25,;57.64,-5.48,;58.97,-6.26,;60.31,-5.5,;61.63,-6.28,;62.96,-5.5,;64.29,-6.26,;64.3,-7.81,;62.96,-8.58,;61.62,-7.81,;60.29,-8.57,;58.95,-9.33,;58.94,-10.87,;60.27,-11.65,;61.61,-10.89,;61.62,-9.34,;60.26,-13.19,;58.91,-13.94,;58.9,-15.47,;57.56,-16.23,;57.55,-17.77,;58.8,-18.69,;58.31,-20.15,;59.21,-21.4,;58.57,-22.8,;59.46,-24.06,;61,-23.91,;61.9,-25.16,;61.63,-22.49,;60.73,-21.25,;56.77,-20.14,;55.74,-21.27,;54.25,-20.95,;53.78,-19.48,;54.81,-18.35,;56.31,-18.68,;58.97,-7.8,)|
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCCCc2cn(-c3ccc(F)cc3)c3ccccc23)O1 |r,wU:2.1,13.17,(58.54,-28.7,;59.88,-27.94,;61.21,-28.72,;62.55,-27.96,;63.87,-28.73,;65.19,-27.95,;66.53,-28.71,;66.53,-30.27,;65.2,-31.04,;63.86,-30.27,;62.53,-31.03,;61.19,-31.79,;61.18,-33.32,;62.5,-34.1,;63.84,-33.34,;63.86,-31.79,;62.49,-35.64,;61.15,-36.39,;61.14,-37.93,;59.8,-38.69,;59.79,-40.23,;61.03,-41.14,;60.55,-42.61,;61.44,-43.85,;60.8,-45.26,;61.7,-46.51,;63.24,-46.36,;64.14,-47.61,;63.87,-44.95,;62.97,-43.7,;59.01,-42.6,;57.98,-43.72,;56.48,-43.4,;56.01,-41.93,;57.05,-40.8,;58.55,-41.13,;61.2,-30.25,)|
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NC2CCc3ccccc3CC2)O1 |r,wU:13.17,wD:2.1,(9.67,-3.49,;11.01,-2.73,;12.34,-3.5,;13.67,-2.75,;14.99,-3.52,;16.31,-2.74,;17.65,-3.5,;17.66,-5.05,;16.32,-5.83,;14.98,-5.05,;13.65,-5.81,;12.31,-6.58,;12.3,-8.11,;13.63,-8.89,;14.97,-8.13,;14.98,-6.58,;13.62,-10.43,;12.27,-11.18,;12.35,-12.71,;11.21,-13.75,;9.7,-13.51,;8.91,-14.83,;7.38,-14.82,;6.61,-13.47,;7.4,-12.14,;8.94,-12.16,;9.52,-10.73,;11,-10.29,;12.33,-5.04,)|
FCC[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NC2CCc3ccccc3CC2)O1 |r,wU:14.18,wD:3.2,(25.4,-2.83,;26.73,-3.61,;28.07,-2.85,;29.4,-3.63,;30.74,-2.87,;32.05,-3.64,;33.38,-2.86,;34.71,-3.63,;34.72,-5.18,;33.38,-5.95,;32.05,-5.18,;30.71,-5.94,;29.38,-6.7,;29.37,-8.23,;30.69,-9.01,;32.03,-8.25,;32.04,-6.7,;30.68,-10.55,;29.34,-11.3,;29.42,-12.83,;28.27,-13.87,;26.76,-13.63,;25.98,-14.95,;24.44,-14.94,;23.68,-13.59,;24.47,-12.26,;26.01,-12.28,;26.58,-10.85,;28.06,-10.42,;29.39,-5.16,)|
FCC[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NC2CCc3ccccc3CC2)O1 |r,wU:3.2,14.18,(27.17,-25.45,;28.5,-26.22,;29.83,-25.46,;31.16,-26.24,;32.5,-25.48,;33.82,-26.25,;35.14,-25.48,;36.48,-26.24,;36.48,-27.79,;35.15,-28.56,;33.81,-27.79,;32.48,-28.55,;31.14,-29.31,;31.13,-30.84,;32.46,-31.62,;33.79,-30.86,;33.81,-29.32,;32.45,-33.16,;31.1,-33.91,;31.19,-35.45,;30.05,-36.49,;28.53,-36.25,;27.75,-37.57,;26.21,-37.56,;25.45,-36.21,;26.24,-34.88,;27.78,-34.9,;28.36,-33.47,;29.84,-33.03,;31.16,-27.78,)|
C[C@@H]1[C@H](O)c2ccccc2CCN1Cc1ccccc1 |r|
C[C@@H]1[C@H](O)c2ccccc2CCN1CCCCc1ccccc1 |r|
C[C@@H]1[C@H](O)c2ccccc2CCN1CCCCCc1ccccc1 |r|
C[C@@H]1[C@H](O)c2ccc(O)cc2CCN1CCCCc1ccccc1 |r|
OC1CN(CCc2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
C(N1CCc2ccccc2CC1)c1ccc(cc1)-c1ccccc1
OC1CN(CCCCCc2ccccc2)CCc2ccccc12
OC1CN(CCCC(=O)c2ccc(F)cc2)CCc2ccccc12
OC1CN(CCc2ccccc12)C1CCC(CC1)c1ccccc1 |(22.78,-23.04,;23.13,-24.54,;24.65,-24.87,;25.32,-26.27,;24.65,-27.68,;23.13,-28.03,;21.91,-27.06,;20.58,-27.83,;19.25,-27.06,;19.25,-25.52,;20.58,-24.75,;21.92,-25.51,;26.86,-26.27,;27.62,-27.6,;29.16,-27.6,;29.93,-26.27,;29.16,-24.94,;27.62,-24.93,;31.46,-26.28,;32.23,-27.62,;33.77,-27.62,;34.54,-26.29,;33.77,-24.95,;32.23,-24.95,)|
OC1CN(CCc2ccccc12)C1CCN(Cc2ccccc2)CC1
C(CCN1CCc2ccccc2CC1)CCc1ccccc1
OC1CN(Cc2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
OC1CN(CCCc2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
OC1CN(CCCCCc2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
OC1CN(CCCCOc2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
Nc1ccc2CCN(CCCCc3ccccc3)CC(O)c2c1
Nc1ccc2CCN(CCCCCc3ccccc3)CC(O)c2c1
C(CCc1ccccc1)CN1CCc2ccccc2CC1
OC1CN(CCc2ccc(cc12)[N+]([O-])=O)C1CCC(CC1)c1ccccc1 |(22.78,-23.04,;23.13,-24.54,;24.65,-24.87,;25.32,-26.27,;24.65,-27.68,;23.13,-28.03,;21.91,-27.06,;20.58,-27.83,;19.25,-27.06,;19.25,-25.52,;20.58,-24.75,;21.92,-25.51,;17.92,-24.75,;17.92,-23.21,;16.59,-25.51,;26.86,-26.27,;27.62,-27.6,;29.16,-27.6,;29.93,-26.27,;29.16,-24.94,;27.62,-24.93,;31.46,-26.28,;32.23,-27.62,;33.77,-27.62,;34.54,-26.29,;33.77,-24.95,;32.23,-24.95,)|
COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C(O)C1
OC1CN(Cc2ccc(cc2)-c2ccccc2)CCc2ccccc12
OC1CN(CCCCc2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
OC1CN(Cc2ccc(cc2F)-c2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
OC1CN(CCCCOc2ccccc2)CCc2ccccc12
OC1CN(CCc2ccccc2)CCc2ccccc12
OC1CN(CCc2ccccc12)C1CCN(CC1)C(=O)c1ccccc1
Cn1nccc1-c1ncnc2n(CCN3CCCCC3)ncc12
OC1CC23CCCCC2(C1)CN(Cc1ccccc1)CC3
COc1ccc(C)cc1NC(=O)OC1CC23CCCCC2(C1)CN(Cc1ccccc1)CC3
C(N1CCC23CCCC2(CCCC3)C1)c1ccccc1
C(N1CC[Si]2(CCCc3ccccc23)CC1)c1ccccc1
C(Cc1ccccc1)N1CC[Si]2(CCCc3ccccc23)CC1
CC(C)CCN1CC[Si]2(CCCc3ccccc23)CC1
COc1ccc(CN2CC[Si]3(CCCc4ccccc34)CC2)cc1
CC(C)CCN1CCC2(CCCc3ccccc23)CC1
OCc1ccc2CCC(CCc2c1)NCCCc1ccccc1
Oc1ccc2CCC(CCc2c1)NCCCc1ccccc1
OCc1ccc2CCC(CCc2c1)NCCCCc1ccccc1
Oc1ccc2CCC(CCc2c1)NCCCCc1ccccc1
CCCCCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O
CCCCN(CC1CCN(Cc2ccccc2)CC1)C(C)=O
CC(=O)N(CC1CCCCC1)CC1CCN(Cc2ccc(Cl)cc2Cl)CC1
CCCCCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)=O
CCCCCN(CC1CCN(Cc2ccccc2)CC1)C(C)=O
CCCN(CC1CCN(Cc2ccccc2)CC1)C(C)=O
CCCCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O
CCCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O
CCCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)=O
CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)=O
CC(=O)N(CC1CCCCC1)CC1CCN(Cc2ccccc2)CC1
CCN(CC1CCN(Cc2ccccc2)CC1)C(C)=O
CC(=O)N(CC1CCCCC1)CC1CCN(Cc2ccc(Cl)cc2)CC1
CCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O
CCCCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)=O
O=C(CN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
COc1ccc(cc1)C(=O)CCN1CCCCC1
COc1cccc(c1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
COc1cccc(c1)C(=O)CN1CCC(Cc2ccccc2)CC1
COc1ccc(cc1)C(=O)CCN1CCOCC1
O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1
O=C(CCN1CCCCC1)c1ccccc1
O=C(CCN1CCOCC1)c1ccccc1
COc1ccc(cc1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
O=C(CN1CCC(Cc2ccccc2)CC1)c1ccccc1
COc1ccc(cc1)C(=O)CN1CCC(Cc2ccccc2)CC1
COc1ccc2cc(ccc2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
O=C(CN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
COc1ccc(cc1)C(=O)CCN1CCC(Cc2ccccc2)CC1
O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
O=C(CCN1CCCCC1)c1ccc2ccccc2c1
O=C(CCN1CCCCC1)c1ccc(cc1)-c1ccccc1
O=C(CCN1CCOCC1)c1ccc2ccccc2c1
O=C(CCN1CCOCC1)c1ccc(cc1)-c1ccccc1
O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1
O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
COc1ccc2cc(ccc2c1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
C[C@H](CCN1CCCCC1)c1ccc(cc1)-c1ccccc1 |r|
COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
[O-][N+](=O)c1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1cc2oc(cc(=O)c2cc1O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCC1CCN(Cc2ccccc2)CC1
COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc2[nH]c(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1cccc2c1[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Nc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc2[nH]c(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C(CNC1CCc2cccnc2CC1)Cc1ccccc1
C(CCc1ccccc1)CNC1CCc2cccnc2CC1
CN(CCCCc1ccccc1)C1CCc2cccnc2CC1
C(NC1CCc2cccnc2CC1)c1ccccc1
CN(CCCc1ccccc1)C1CCc2cccnc2CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
CCCc1ccc2n(CCCN3CCCCC3)c(=O)sc2c1
CN(C[C@@H]1C[C@@]1(CO)c1ccccc1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:14:17.16.21:19,THB:22:14:17:21.20.19,22:20:17:23.15.14,15:16:19:23.14.22,15:14:17.16.21:19|
CCCc1ccc2n(CCCCN3CCCCC3)c(=O)sc2c1
CCCCc1ccc2n(CCN3CCCCC3)c(=O)sc2c1
CCCc1ccc2N(CCN3CCCCC3)C(=O)COc2c1
CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1O |r|
CN(C)[C@H]1CCCC[C@@H]1OC\C=C\c1ccccc1 |r|
CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r|
CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1O |r|
CN(C)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r|
CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r|
Clc1ccccc1N1CCN(CCCc2ccccc2)CC1
Clc1ccccc1N1CCN(CCc2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCc2ccccc2)CC1
CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccco1
CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc(cc1)-c1ccccc1
CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)-c1ccccc1
CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1cccc2ccccc12
CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc(C)cc1
CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccccc1
CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(C)cc1
CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(Cl)cc1
CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc2ccccc2c1
CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(OC)cc1
CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc(OC)cc1
CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cccc2ccccc12
CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccco1
CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc2ccccc2c1
CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc(Cl)cc1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(OCCF)ccc3[nH]2)CC1
COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(OCCOCCF)ccc3[nH]2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(OCCOCCOCCF)ccc3[nH]2)CC1
COc1ccc2[nH]c(cc2c1)C(=O)NCC=CCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1
[O-][N+](=O)c1ccc2CCC(CCc2c1)NCc1ccccc1
[O-][N+](=O)c1ccc2CCC(CCc2c1)NCCCCc1ccccc1
[O-][N+](=O)c1ccc2CCC(CCc2c1)NCCc1ccccc1
[O-][N+](=O)c1ccc2CCC(CCc2c1)NCCCc1ccccc1
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F
CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|
O=C1CCc2ccccc2N1CCCCN1CCN(CC1)C1CCCCC1
O=c1oc(nn1CCCCN1CCC2(CC1)OCc1ccccc21)-c1ccccc1
O=c1oc(nn1CCCCN1CCN(CC1)c1ccccn1)-c1ccccc1
COc1cc2CCN(CCCCn3nc(oc3=O)-c3ccccc3)Cc2cc1OC
O=C1CCc2ccccc2N1CCCCN1CCC2(CC1)OCc1ccccc21
Fc1ccc(cc1)N1CCN(CCCCN2C(=O)CCc3ccccc23)CC1
COc1cc2CCN(CCCCN3C(=O)CCc4ccccc34)Cc2cc1OC
[O-][N+](=O)c1ccc2CCN(CCCCN3C(=O)CCc4ccccc34)Cc2c1
[O-][N+](=O)c1ccc2CCN(CCCCn3nc(oc3=O)-c3ccccc3)Cc2c1
CN(CCCCN1C(=O)CCc2ccccc12)Cc1ccc(C)cc1C
O=c1oc(nn1CCCCN1CCN(CC1)C1CCCCC1)-c1ccccc1
C[C@@H]([C@H](O)N1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1 |r|
Fc1ccc(cc1)N1CCN(CCCCn2nc(oc2=O)-c2ccccc2)CC1
CN(CCCCn1nc(oc1=O)-c1ccccc1)Cc1ccc(C)cc1C
O=C1CCc2ccccc2N1CCCCN1CCN(CC1)c1ccccn1
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(C)cc(C)c21 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2ccc(O)cc2OC[C@@]1(C)N |r|
CC[C@H]1c2cc(ccc2OC[C@@]1(C)N)-c1ccccc1 |r|
CC[C@H]1c2c(OC[C@@]1(C)N)ccc1ccccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OCc3ccccc3)ccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(O)ccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
[H][C@@]12CCN(C(C)=O)[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
[H][C@@]12CCN(C(C)=O)[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccc(C)cc1)c1ccc(C)cc21 |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
[H][C@@]12CCN(C)[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1ccc(OC)cc21 |r|
[H][C@@]12CCN(C(C)=O)[C@]1(C)COc1cc(O)ccc21 |r|
[H][C@@]12CCN(C)[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccc(Br)cc1)c1ccc(Br)cc21 |r|
[H][C@@]12CCN[C@]1(C)COc1ccc(cc21)-c1ccccc1 |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
CC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N |r|
[H][C@@]12CCN(C)[C@]1(C)COc1cc(O)ccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1c(Br)cccc21 |r|
CN(CCCc1ccccc1)C1CCc2ccccc2C(O)C1
OC1CC(CCc2ccccc12)NCCCc1ccccc1
CN(CCCCc1ccccc1)C1CCc2ccccc2C(O)C1
OC1Cc2ccccc2CCC1NCCCc1ccccc1
OC1CC(CCc2ccccc12)NCCCCc1ccccc1
OC1Cc2ccccc2CCC1NCCCCc1ccccc1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)Cc4ccccc4)Cl
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ccc2c1
COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)CC4CCCCC4)Cl
Clc1cc(cc2cc[nH]c12)C(=O)CCC1CCN(CC2CCCCC2)CC1
COc1ccc2C(O)CN(CCC#Cc3ccc(OCCF)cc3)CCc2c1
COc1ccc2C(O)CN(CCCCc3cccs3)CCc2c1
COc1ccc2C(O)CN(CCCCc3ccccc3OCCF)CCc2c1
OC1CN(CCCCc2ccc(OCCF)cc2)CCc2cc(O)ccc12
COc1ccc2C(O)CN(CCCCc3cccnc3)CCc2c1
COc1ccc2C(O)CN(CCCC#Cc3ccccc3)CCc2c1
Cc1ccccc1N(C(N)=N)c1ccccc1C
COc1ccc2C(O)CN(CCC#Cc3ccccc3)CCc2c1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3ccc(NC(C)=O)cc3)CC2)CN(C1=O)c1ccccc1
OC(=O)CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
COc1ccc(cc1)N1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cncc(F)c1
O=C1OC2(CN1c1ccccc1)CCN(CCc1ccccc1)CC2
O=C1COC2(CCN(CCc3ccccc3)C2)CN1c1ccccc1
CCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
COCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
O=C1C(COCc2ccccc2)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1
CC1(C)OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1Cl
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1F
COc1ccccc1N1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
COc1cccc(c1)N1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cccnc1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cnccn1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cccc(n1)C(F)(F)F
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ncccc1C(F)(F)F
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cnccc1C(F)(F)F
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cncc(c1)C(F)(F)F
CC1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3cccc(F)c3)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3cccc(c3)C#N)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3ccccn3)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3ccncc3)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3ccccn3)CC2)CN(C1=O)c1cnccc1C(F)(F)F
C[C@H]1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1cnccc1C(F)(F)F |r|
Fc1ccccc1CCN1CCC2(CC1)CN(C(=O)C1(CC1)O2)c1cccnc1C(F)(F)F
O=C1COC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1
C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 |r|
OCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
O=C1N(CC2(CCN(CCc3ccccc3)CC2)OC11CC1)c1ccccc1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1O
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccn1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ncccc1F
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cccnc1C(F)(F)F
CC1OC2(CCN(CCc3ccccc3NC(C)=O)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3cccnc3)CC2)CN(C1=O)c1ccccc1
C[C@H]1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1ncccc1C(F)(F)F |r|
COC(=O)CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccncc1
CC1OC2(CCN(CCc3ccc(F)cc3)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cccc(O)c1
CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)OC
C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 |r|
CN(C)C(=O)CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccc(nc1)C(F)(F)F
CC1OC2(CCN(CCc3cccc(NC(C)=O)c3)CC2)CN(C1=O)c1ccccc1
C[C@H]1OC2(CCN(CCc3cccc(NC(C)=O)c3)CC2)CN(C1=O)c1ccccc1 |r|
O=C1COC2(CCN(Cc3ccccc3)CC2)CN1c1ccccc1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccc(O)cc1
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@]12CC[C@]([H])(C1)[C@H](C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,TLB:9:7:3.2:6|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CCCC3)C3CCCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N)nc(Cl)nc12 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CCCC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CCC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
CCOC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:11.27,wD:14.18,(17.1,-15.49,;17.1,-17.03,;15.76,-17.8,;15.76,-19.33,;17.09,-20.11,;17.09,-21.65,;18.41,-22.42,;18.41,-23.95,;17.07,-24.71,;15.78,-23.94,;15.76,-22.41,;14.43,-21.65,;14.44,-23.19,;13.09,-23.97,;11.75,-23.2,;11.75,-21.65,;13.09,-20.88,;10.41,-23.97,;9.08,-23.2,;7.74,-23.97,;6.41,-23.2,;5.07,-23.97,;5.07,-25.51,;6.4,-26.28,;7.74,-25.52,;14.43,-20.11,)|
COC1O[C@@]2(CC[C@@H](CC2)NCC2CCCCC2)c2ccccc12 |r,wU:4.3,7.10,(28.22,-45.43,;26.71,-45.76,;26.25,-47.23,;27.16,-48.47,;26.26,-49.72,;25.16,-50.8,;25.55,-52.29,;27.04,-52.7,;28.14,-51.61,;27.75,-50.11,;27.43,-54.19,;28.92,-54.59,;30.01,-53.51,;31.49,-53.93,;32.58,-52.85,;32.2,-51.36,;30.72,-50.95,;29.61,-52.03,;24.79,-49.25,;23.45,-50.03,;22.12,-49.26,;22.12,-47.72,;23.45,-46.95,;24.78,-47.71,)|
C(N[C@H]1CC[C@@]2(CC1)OC=Cc1ccccc21)C1CCCCC1 |r,wU:5.8,wD:2.1,c:10,(8.43,-8.03,;9.76,-8.8,;11.1,-8.03,;12.44,-8.8,;13.79,-8.02,;13.78,-6.48,;12.44,-5.71,;11.1,-6.48,;13.78,-4.94,;15.11,-4.16,;16.43,-4.94,;16.43,-6.48,;17.75,-7.25,;17.75,-8.78,;16.42,-9.54,;15.13,-8.77,;15.11,-7.24,;7.09,-8.8,;5.76,-8.03,;4.43,-8.79,;4.42,-10.34,;5.76,-11.11,;7.09,-10.35,)|
C(N[C@H]1CC[C@]2(CC1)OC=Cc1ccccc21)C1CCCCC1 |r,wU:5.8,2.1,c:10,(26.45,-7.28,;27.78,-8.06,;29.12,-7.28,;29.12,-5.74,;30.45,-4.97,;31.8,-5.74,;31.8,-7.28,;30.46,-8.06,;31.8,-4.19,;33.13,-3.42,;34.45,-4.19,;34.45,-5.74,;35.77,-6.51,;35.77,-8.03,;34.44,-8.8,;33.15,-8.03,;33.13,-6.5,;25.11,-8.06,;23.78,-7.28,;22.45,-8.05,;22.44,-9.59,;23.77,-10.37,;25.11,-9.6,)|
CN(CC1CCCCC1)[C@H]1CC[C@]2(CC1)OC=Cc1ccccc21 |r,wU:12.16,9.9,c:18,(66.87,-9.22,;66.87,-7.68,;65.54,-6.91,;64.2,-7.68,;62.87,-6.91,;61.54,-7.68,;61.53,-9.22,;62.87,-9.99,;64.2,-9.23,;68.21,-6.91,;68.21,-5.36,;69.54,-4.6,;70.89,-5.37,;70.9,-6.91,;69.55,-7.69,;70.89,-3.82,;72.22,-3.05,;73.54,-3.82,;73.54,-5.37,;74.86,-6.13,;74.86,-7.66,;73.53,-8.42,;72.24,-7.66,;72.22,-6.13,)|
CCOC1Cc2ccccc2[C@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:11.27,14.18,(35.12,-14.23,;35.12,-15.76,;33.79,-16.53,;33.78,-18.06,;35.11,-18.84,;35.11,-20.38,;36.43,-21.15,;36.43,-22.68,;35.1,-23.44,;33.8,-22.68,;33.79,-21.15,;32.45,-20.38,;31.11,-19.61,;29.78,-20.38,;29.77,-21.93,;31.12,-22.7,;32.46,-21.93,;28.44,-22.7,;27.1,-21.93,;25.76,-22.7,;24.43,-21.93,;23.1,-22.7,;23.09,-24.24,;24.43,-25.01,;25.76,-24.25,;32.45,-18.84,)|
CCOC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:11.28,14.18,(75.11,-13.93,;75.11,-15.46,;73.78,-16.23,;73.77,-17.76,;75.1,-18.54,;75.1,-20.08,;76.42,-20.85,;76.42,-22.38,;75.09,-23.14,;73.79,-22.37,;73.77,-20.85,;72.44,-20.08,;71.1,-19.31,;69.77,-20.08,;69.76,-21.63,;71.11,-22.4,;72.45,-21.63,;68.43,-22.4,;68.43,-23.94,;67.09,-21.63,;65.75,-22.4,;64.42,-21.63,;63.09,-22.4,;63.08,-23.94,;64.42,-24.71,;65.75,-23.95,;72.44,-18.54,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:10.26,13.17,(34.21,-31.18,;32.88,-31.94,;32.88,-33.48,;34.2,-34.25,;34.2,-35.8,;35.52,-36.56,;35.52,-38.09,;34.19,-38.85,;32.9,-38.09,;32.88,-36.56,;31.55,-35.8,;30.21,-35.03,;28.87,-35.8,;28.87,-37.34,;30.21,-38.12,;31.56,-37.34,;27.53,-38.12,;26.2,-37.34,;24.86,-38.12,;23.53,-37.34,;22.2,-38.11,;22.19,-39.65,;23.53,-40.42,;24.86,-39.66,;31.55,-34.25,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:10.27,wD:13.17,(56.51,-30.54,;55.18,-31.31,;55.18,-32.84,;56.5,-33.62,;56.5,-35.16,;57.82,-35.93,;57.82,-37.45,;56.49,-38.22,;55.2,-37.45,;55.18,-35.92,;53.85,-35.16,;53.85,-36.7,;52.51,-37.48,;51.17,-36.7,;51.17,-35.16,;52.5,-34.39,;49.83,-37.48,;49.83,-39.02,;48.5,-36.7,;47.16,-37.48,;45.83,-36.7,;44.49,-37.47,;44.49,-39.02,;45.82,-39.79,;47.16,-39.02,;53.85,-33.62,)|
COC1O[C@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)c2ccccc12 |r,wU:4.3,wD:7.10,(48,-45.42,;46.5,-45.75,;46.03,-47.21,;46.94,-48.45,;46.04,-49.7,;47.53,-50.1,;47.92,-51.59,;46.83,-52.68,;45.34,-52.27,;44.95,-50.79,;47.22,-54.17,;46.12,-55.25,;48.7,-54.58,;49.79,-53.49,;51.28,-53.91,;52.37,-52.84,;51.98,-51.35,;50.5,-50.94,;49.4,-52.02,;44.57,-49.24,;43.23,-50.02,;41.9,-49.25,;41.9,-47.7,;43.23,-46.93,;44.57,-47.7,)|
COC1O[C@@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)c2ccccc12 |r,wU:4.3,7.10,(63.79,-45.21,;62.29,-45.54,;61.82,-47,;62.73,-48.24,;61.83,-49.49,;60.74,-50.58,;61.13,-52.06,;62.62,-52.47,;63.71,-51.39,;63.32,-49.89,;63.01,-53.96,;61.92,-55.04,;64.49,-54.37,;65.59,-53.28,;67.07,-53.7,;68.16,-52.63,;67.78,-51.14,;66.29,-50.73,;65.19,-51.81,;60.37,-49.03,;59.03,-49.81,;57.69,-49.04,;57.7,-47.49,;59.02,-46.72,;60.36,-47.49,)|
CN(CC1CCCCC1)[C@H]1CC[C@@]2(CC1)OCCc1ccccc21 |r,wU:12.16,wD:9.9,(37,-10.98,;38.34,-10.22,;39.67,-11,;41.01,-10.24,;42.33,-11.03,;43.67,-10.28,;43.68,-8.73,;42.36,-7.95,;41.01,-8.71,;38.35,-8.68,;39.69,-7.92,;39.7,-6.38,;38.37,-5.61,;37.04,-6.37,;37.03,-7.9,;39.73,-4.84,;39.73,-3.29,;38.39,-2.5,;37.05,-3.28,;35.71,-2.52,;34.38,-3.29,;34.38,-4.84,;35.71,-5.61,;37.04,-4.84,)|
CN(CC1CCCCC1)[C@H]1CC[C@]2(CC1)OCCc1ccccc21 |r,wU:12.16,9.9,(52.67,-10.46,;54.01,-9.7,;55.34,-10.48,;56.68,-9.72,;58,-10.51,;59.33,-9.75,;59.35,-8.21,;58.02,-7.43,;56.68,-8.19,;54.02,-8.16,;52.69,-7.38,;52.7,-5.85,;54.04,-5.09,;55.37,-5.86,;55.36,-7.4,;55.4,-4.32,;55.4,-2.77,;54.05,-1.98,;52.71,-2.76,;51.38,-2,;50.05,-2.77,;50.05,-4.31,;51.38,-5.08,;52.71,-4.32,)|
COC1O[C@]2(CC[C@@H](CC2)NCc2ccccc2)c2ccccc12 |r,wU:4.3,wD:7.10,(57.26,-18.34,;55.76,-18.67,;55.29,-20.14,;56.2,-21.38,;55.3,-22.63,;56.79,-23.02,;57.18,-24.52,;56.09,-25.61,;54.6,-25.2,;54.21,-23.72,;56.48,-27.1,;57.96,-27.5,;59.05,-26.42,;60.54,-26.83,;61.63,-25.75,;61.24,-24.26,;59.75,-23.86,;58.66,-24.94,;53.84,-22.16,;52.5,-22.94,;51.16,-22.17,;51.17,-20.63,;52.49,-19.86,;53.83,-20.62,)|
C(N[C@H]1CC[C@@]2(CC1)OCCc1ccccc21)c1ccccc1 |r,wU:5.8,wD:2.1,(10.41,-42.48,;9.08,-41.71,;9.09,-40.17,;10.43,-39.4,;10.44,-37.86,;9.11,-37.09,;7.77,-37.85,;7.76,-39.38,;10.45,-36.32,;10.45,-34.78,;9.11,-34,;7.78,-34.77,;6.44,-34.01,;5.12,-34.78,;5.11,-36.32,;6.45,-37.1,;7.78,-36.32,;11.75,-41.72,;13.07,-42.51,;14.41,-41.75,;14.42,-40.2,;13.08,-39.43,;11.75,-40.19,)|
C(N[C@H]1CC[C@]2(CC1)OCCc1ccccc21)c1ccccc1 |r,wU:5.8,2.1,(24.89,-41.9,;23.56,-41.12,;23.57,-39.58,;22.25,-38.8,;22.26,-37.26,;23.6,-36.5,;24.92,-37.27,;24.91,-38.81,;24.94,-35.73,;24.94,-34.19,;23.6,-33.41,;22.27,-34.18,;20.93,-33.42,;19.6,-34.19,;19.6,-35.74,;20.93,-36.51,;22.26,-35.73,;26.23,-41.14,;27.56,-41.92,;28.89,-41.16,;28.91,-39.62,;27.57,-38.84,;26.23,-39.6,)|
COC1O[C@]2(CC[C@@H](CC2)NCC2CCCCC2)c2ccccc12 |r,wU:4.3,wD:7.10,(10.85,-45.5,;9.34,-45.82,;8.88,-47.29,;9.79,-48.53,;8.89,-49.78,;10.38,-50.18,;10.77,-51.67,;9.67,-52.76,;8.19,-52.35,;7.79,-50.87,;10.06,-54.25,;11.55,-54.65,;12.64,-53.57,;14.12,-53.99,;15.22,-52.91,;14.83,-51.42,;13.35,-51.01,;12.25,-52.09,;7.42,-49.32,;6.08,-50.1,;4.75,-49.33,;4.75,-47.78,;6.08,-47.01,;7.41,-47.78,)|
CCOC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:11.28,wD:14.18,(55.51,-14.64,;55.5,-16.18,;54.17,-16.94,;54.17,-18.48,;55.5,-19.25,;55.5,-20.8,;56.82,-21.57,;56.82,-23.09,;55.48,-23.86,;54.19,-23.09,;54.17,-21.56,;52.84,-20.8,;52.85,-22.34,;51.5,-23.12,;50.16,-22.34,;50.16,-20.8,;51.49,-20.03,;48.82,-23.12,;48.82,-24.66,;47.48,-22.34,;46.15,-23.12,;44.82,-22.34,;43.48,-23.11,;43.47,-24.66,;44.81,-25.43,;46.15,-24.66,;52.84,-19.25,)|
C(N[C@H]1CC[C@]2(CC1)OCCc1ccccc21)C1CCCCC1 |r,wU:5.8,2.1,(24.26,-11.23,;22.93,-10.45,;22.94,-8.91,;21.62,-8.13,;21.63,-6.6,;22.96,-5.83,;24.29,-6.6,;24.28,-8.15,;24.32,-5.07,;24.32,-3.51,;22.98,-2.73,;21.64,-3.51,;20.3,-2.75,;18.97,-3.52,;18.97,-5.06,;20.3,-5.83,;21.63,-5.06,;25.6,-10.47,;26.92,-11.26,;28.25,-10.5,;28.27,-8.96,;26.95,-8.18,;25.6,-8.93,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:10.27,13.17,(74.64,-30.02,;73.31,-30.78,;73.31,-32.32,;74.63,-33.09,;74.63,-34.63,;75.95,-35.4,;75.95,-36.93,;74.62,-37.69,;73.33,-36.93,;73.31,-35.4,;71.98,-34.63,;70.63,-33.87,;69.3,-34.63,;69.3,-36.18,;70.64,-36.95,;71.99,-36.18,;67.96,-36.95,;67.96,-38.49,;66.63,-36.18,;65.29,-36.95,;63.96,-36.18,;62.62,-36.95,;62.62,-38.49,;63.95,-39.26,;65.29,-38.5,;71.98,-33.09,)|
C(N[C@H]1CC[C@@]2(CC1)OCCc1ccccc21)C1CCCCC1 |r,wU:5.8,wD:2.1,(10.45,-11.59,;9.12,-10.81,;9.14,-9.27,;10.47,-8.5,;10.49,-6.96,;9.16,-6.19,;7.82,-6.95,;7.81,-8.49,;10.51,-5.43,;10.52,-3.87,;9.17,-3.09,;7.83,-3.87,;6.49,-3.1,;5.16,-3.87,;5.16,-5.42,;6.5,-6.19,;7.83,-5.42,;11.79,-10.83,;13.11,-11.61,;14.45,-10.86,;14.47,-9.32,;13.14,-8.53,;11.79,-9.29,)|
COC1O[C@@]2(CC[C@@H](CC2)NCc2ccccc2)c2ccccc12 |r,wU:4.3,7.10,(73.08,-17.88,;71.58,-18.21,;71.11,-19.67,;72.02,-20.92,;71.12,-22.16,;70.02,-23.25,;70.42,-24.74,;71.9,-25.14,;73,-24.06,;72.61,-22.56,;72.3,-26.63,;73.78,-27.04,;74.87,-25.96,;76.36,-26.37,;77.45,-25.28,;77.06,-23.79,;75.57,-23.39,;74.48,-24.48,;69.65,-21.7,;68.31,-22.48,;66.98,-21.71,;66.98,-20.17,;68.31,-19.4,;69.65,-20.16,)|
CN(CC1CCCCC1)[C@H]1CC[C@@]2(CC1)OC=Cc1ccccc21 |r,wU:12.16,wD:9.9,c:18,(46.76,-9.4,;46.76,-7.86,;45.43,-7.09,;44.09,-7.86,;42.76,-7.09,;41.42,-7.86,;41.42,-9.4,;42.75,-10.17,;44.09,-9.41,;48.1,-7.09,;49.44,-7.86,;50.78,-7.09,;50.77,-5.54,;49.43,-4.78,;48.1,-5.54,;50.77,-4,;52.11,-3.23,;53.43,-4,;53.43,-5.54,;54.75,-6.31,;54.75,-7.84,;53.42,-8.6,;52.13,-7.84,;52.11,-6.31,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:10.26,wD:13.17,(15.73,-32.02,;14.4,-32.79,;14.39,-34.32,;15.72,-35.1,;15.72,-36.64,;17.04,-37.41,;17.04,-38.94,;15.7,-39.7,;14.41,-38.93,;14.39,-37.4,;13.06,-36.64,;13.07,-38.18,;11.73,-38.96,;10.39,-38.19,;10.39,-36.64,;11.72,-35.87,;9.05,-38.96,;7.71,-38.19,;6.38,-38.96,;5.05,-38.19,;3.71,-38.95,;3.7,-40.5,;5.04,-41.27,;6.38,-40.51,;13.06,-35.1,)|
OC1(CC2CCC(C1)N2CCCSc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ncccn1
O\N=C(\CCCN1CCCN(CC1)c1ncccn1)c1ccc(F)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
O\N=C(\CCCN1CCCN(CC1)c1ccccn1)c1ccc(F)cc1
O\N=C(\CCCN1CCCN(CC1)c1ccc(Cl)cn1)c1ccc(F)cc1
OC1(CC2CCC(C1)N2CCCSc1cccc(F)c1)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
OC1(CC2CCC(C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
C(COc1ccccc1)CN1CCN(CC1)c1ccccc1
[O-][S+](CCCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(Cl)cn2)cc1
Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cn1
OC1(CC2CCC(C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cn1
OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cn2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccccn1
Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |(17.28,-55.18,;17.28,-53.64,;18.61,-52.87,;18.61,-51.33,;17.26,-50.56,;16.94,-49.07,;15.41,-48.91,;14.79,-50.31,;15.93,-51.33,;15.95,-52.87,;14.62,-53.65,;14.63,-55.19,;13.29,-55.96,;11.96,-55.19,;10.63,-55.96,;10.64,-57.5,;11.97,-58.26,;11.98,-59.81,;10.64,-60.59,;9.31,-59.81,;7.83,-60.29,;6.93,-59.04,;7.84,-57.79,;9.31,-58.27,;11.95,-53.66,;13.28,-52.88,;13.27,-51.34,;11.93,-50.58,;14.38,-50.56,;13.26,-49.79,)|
Clc1ccc(cc1)N1CCCN(CCC2Cc3cc(Cl)ccc3C2=O)CC1
Clc1ccc(cc1)N1CCCN(CCC2Cc3ccccc3C2=O)CC1
O\N=C1/C(CCN2CCCN(CC2)c2ccc(Cl)cc2)Cc2cc(F)ccc12
Clc1ccc(cc1)N1CCCN(CCC2=Cc3cc(Cl)ccc3C2=O)CC1 |t:15|
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)=Cc2c1 |c:25|
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccccn3)Cc2c1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cn3)Cc2c1
Fc1ccc2CC(CCN3CCCN(CC3)c3ccccn3)Cc2c1
O\N=C(/CCCN1CCCN(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Clc1ccc(cc1)N1CCN(CCC2Cc3cc(Cl)ccc3C2=O)CC1
O=C(N1CCCCC1)c1c2CC(CCc2nn1-c1ccccc1)NCCc1ccc2OCOc2c1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NCCc1ccc2OCOc2c1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NS(=O)(=O)c1ccc(F)cc1
CCCn1nc(C(=O)N2CCCCC2)c2CC(CCc12)NCCc1ccc(O)cc1
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCCc1ccc2OCOc2c1)-c1ccccc1
Fc1ccc(CCNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)cc1
Oc1cccc(CCNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)c1
Fc1ccc(CNC2CCc3nn(c(C(=O)N4CCCCC4)c3C2)-c2ccccc2)cc1
O=C(N1CCCCC1)c1c2CC(CCc2nn1-c1ccccc1)NCc1ccccc1
Fc1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccncc1
Fc1ccc(CNC2CCc3nn(c(C(=O)N4CCCCC4)c3C2)-c2ccc(F)cc2)cc1
Oc1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccccc1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)OCc1ccc(F)cc1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)SCc1ccc(F)cc1
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCc1ccccc1)-c1ccccc1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NC(=O)c1ccc(F)cc1
O=C(N1CCCCC1)c1nn(Cc2ccccc2)c2CCC(Cc12)NCCc1ccncc1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NCCc1ccc(cc1)C(F)(F)F
FC(F)(F)c1ccc(CCNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)cc1
FC(F)(F)c1ccc(CCNC2CCc3nn(c(C(=O)N4CCCCC4)c3C2)-c2ccccc2)cc1
NC(=O)c1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccccc1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NCc1ccc(F)cc1
Fc1ccc(CNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)cc1
Fc1ccc(CNC2CCc3c(C2)c(nn3Cc2ccccc2)C(=O)N2CCCCC2)cc1
Clc1ccc2sc(SCCCCN3CCCCCC3)nc2c1
Clc1ccc2sc(SCCN3CCCCCC3)nc2c1
Clc1ccc2oc(=O)n(CCN3CCCCCC3)c2c1
Clc1ccc2sc(=O)n(CCN3CCCCCC3)c2c1
Clc1ccc2oc(SCCCCN3CCCCCC3)nc2c1
Clc1ccc2sc(SCCCN3CCCCCC3)nc2c1
Clc1ccc2sc(=O)n(CCCN3CCCCCC3)c2c1
Clc1ccc2sc(=O)n(CCCCN3CCCCCC3)c2c1
Clc1ccc2oc(SCCN3CCCCCC3)nc2c1
Clc1ccc2oc(SCCCN3CCCCCC3)nc2c1
Clc1ccc2oc(=O)n(CCCCN3CCCCCC3)c2c1
Clc1ccc2oc(=O)n(CCCN3CCCCCC3)c2c1
COc1ccc2CCN(CCC(F)Cc3ccccc3)CCc2c1
FC(CCc1ccccc1)CN1CCc2ccccc2CC1
OC1CN(CC(F)CCc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
OC1CN(CCC(F)Cc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
COc1ccc2C(O)CN(CCC(F)Cc3ccccc3)CCc2c1
COc1ccc2CCN(CCCCc3ccccc3)CCc2c1
Oc1ccc2CCN(CCC(F)Cc3ccccc3)CCc2c1
Oc1ccc2CCN(CCCCc3ccccc3)CCc2c1
FCCOc1ccc2CCN(CCC(F)Cc3ccccc3)CCc2c1
FC(CCN1CCc2ccccc2CC1)Cc1ccccc1
[#6]-[#6]1-[#6]-2-[#6]-c3ccc(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
COc1ccc2C(O)CN(CC(F)CCc3ccccc3)CCc2c1
COc1ccc2CCN(CC(F)CCc3ccccc3)CCc2c1
OC1CN(CCC(F)Cc2ccccc2)CCc2cc(O)ccc12
Oc1ccc2CCN(CC(F)CCc3ccccc3)CCc2c1
FC(CCOc1ccc2CCN(CCC(F)Cc3ccccc3)CCc2c1)Cc1ccccc1
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r|
CCCN[C@H]1CCc2c(sc(n2)N)C1
COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1
CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)|
CN1CCC2(CC1)N[C@@H](CO)C(=O)N(C2=O)c1c(C)cccc1C |r|
CN1CCC2(CC1)N=C(C)C(=O)N(C2=O)c1c(C)cccc1C |t:8|
NCCOc1cc(COc2ccccc2)on1
Clc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
O=C(Nc1ccccc1)c1cc(OC[C@@H]2CCCN2)no1
C(CN1CCOCC1)Oc1cc(COc2ccccc2)on1
CN(C)CCOc1cc(COc2ccccc2)on1
C(Oc1cc(COc2ccccc2)on1)C1CCNCC1
Brc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
CN(CCOc1cc(COc2cccc(Cl)c2)on1)CC1CC1
CN(CCOc1cc(COc2ccccc2)on1)C1CCC1
CCN(C)CCOc1cc(COc2ccccc2)on1
CN1CCC[C@H]1COc1cc(COc2cccc(F)c2)on1
CN1CCC[C@H]1COc1cc(COc2ccccc2)on1
CCNCCOc1cc(COc2ccccc2)on1
NCCCOc1cc(COc2ccccc2)on1
C(Oc1cc(COc2ccccc2)on1)[C@H]1CCCN1
Cc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1
COc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
FC(F)(F)c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
Brc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1
Clc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1
Fc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
Fc1ccccc1OCc1cc(OC[C@@H]2CCCN2)no1
O=C(Oc1ccccc1)c1cc(OC[C@@H]2CCCN2)no1
CN(CCOc1cc(COc2ccccc2)on1)C1CCCC1
CN(CCOc1cc(COc2ccccc2)on1)C1CCCCC1
CN(CCOc1cc(COc2cccc(F)c2)on1)CC1CC1
CN(CCOc1cc(COc2cccc(Cl)c2)on1)C1CCCCC1
C(Oc1ccccc1)c1cc(no1)N1CCNCC1
Clc1cccc(OCc2cc(no2)N2CCNCC2)c1
C(Oc1ccccc1)c1cc(no1)N1CCCCC1
CN1CCC(COc2cc(COc3ccccc3)on2)CC1
CN1CCC[C@H]1COc1cc(COc2cccc(Cl)c2)on1
CNCCOc1cc(COc2ccccc2)on1
C(Oc1cc(COc2ccc3ccccc3c2)on1)[C@@H]1CCCN1
FC(F)(F)c1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1
Clc1ccccc1OCc1cc(OC[C@@H]2CCCN2)no1
Fc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1
O=C(Nc1ccccc1)OCc1cc(OC[C@@H]2CCCN2)no1
O=C(N1CCc2ccccc12)c1cc(OC[C@@H]2CCCN2)no1
CN(CCOc1cc(COc2ccccc2)on1)CC1CC1
CN(CCOc1cc(COc2cccc(F)c2)on1)C1CCCCC1
CN1CCN(CC1)c1cc(COc2ccccc2)on1
COc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1
C(Oc1ccccc1)c1cc(no1)N1CCOCC1
CN1CCC[C@@H]1COc1cc(COc2ccccc2)on1
C(Oc1cc(CSc2ccccc2)on1)[C@@H]1CCCN1
OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C#Cc1ccc(cc1)C(F)(F)F
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)[nH]c2c1
CCCCCn1c2cc(ccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O)C(C)=O
CCCn1c2cc(ccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O)C(C)=O
CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
CCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
CCCCCCCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
CCCCCCCCCCn1c2cc(ccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O)C(C)=O
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)n(C)c2c1
C(Cc1ccccc1)NC1CCc2ccsc2CC1
C(CNC1CCc2ccsc2CC1)Cc1ccccc1
C(CCc1ccccc1)CNC1CCc2ccsc2CC1
CN(Cc1ccccc1)C1CCc2ccsc2CC1
CN(CCc1ccccc1)C1CCc2ccsc2CC1
CN(CCCc1ccccc1)C1CCc2ccsc2CC1
CN(CCCCc1ccccc1)C1CCc2ccsc2CC1
CCN(Cc1ccccc1)C1CCc2ccsc2CC1
CCN(CCc1ccccc1)C1CCc2ccsc2CC1
CCN(CCCc1ccccc1)C1CCc2ccsc2CC1
CCN(CCCCc1ccccc1)C1CCc2ccsc2CC1
OCc1cc2CCC(CCc2s1)NCCCc1ccccc1
OCc1cc2CCC(CCc2s1)NCCCCc1ccccc1
CN(CCc1ccccc1)C1CCc2cc(CO)sc2CC1
CN(CCCc1ccccc1)C1CCc2cc(CO)sc2CC1
Brc1cc2CCC(CCc2s1)NCCCc1ccccc1
Brc1cc2CCC(CCc2s1)NCCCCc1ccccc1
Oc1ccc(cc1)-c1cc2CCC(CCc2s1)NCCCc1ccccc1
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(F)cc1
OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(cc1)C(F)(F)F
COc1ccc(CC(O)CN2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
O[C@H](CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@@H](CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
Fc1ccc(cc1)C(SCCN1CCN(CC1)C(=O)CCc1ccccc1)c1ccc(F)cc1
CC(=O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(F)cc1
OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(cc1)C(F)(F)F
COc1ccc(CC(O)CN2CCN(CC[S+]([O-])C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
O[C@H](CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@@H](CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
C[C@H](O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
C[C@@H](O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
Fc1ccc(cc1)C(SCCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
CCC(=O)N1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[C@H](O)CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
C[C@@H](O)CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
[O-][S+](CCCN1CCN(CCCc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
C[C@H]1CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1 |r|
CC(O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
C[C@H](O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
C[C@@H](O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
C[C@H]1CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r|
CC(O)CN1[C@@H](C)CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
C[C@H]1CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r|
OC(CN1CCC2(C1)CCN(CCSC(c1ccc(F)cc1)c1ccc(F)cc1)CC2)c1ccccc1
CC(O)CN1CCC2(C1)CCN(CC[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1)CC2
O=C(N1CCCN(Cc2ccccc2)CC1)c1ccco1
O=C(N1CCCN(Cc2ccccc2)CC1)c1cccs1
O=C(N1CCCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
O=C(N1CCCN(Cc2ccccc2)CC1)c1ccc2ccccc2n1
O=C(N1CCCN(Cc2ccccc2)CC1)c1ccncc1
O=C(N1CCCN(Cc2ccccc2)CC1)c1cccc2ccccc12
O=C(N1CCCN(Cc2ccccc2)CC1)c1ccccc1
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccco2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2cccs2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2cc3ccccc3o2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccc3ccccc3n2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccncc2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2cccc3ccccc23)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccccc2)c(C)c1
[O-][N+](=O)OCc1cccc(c1)C(=O)NCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1cccc(c1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1cccc(c1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1cccc(c1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1ccc(cc1)C(=O)NCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1cccc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1
[O-][N+](=O)OCc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
[O-][N+](=O)OCc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
[O-][N+](=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
OC(=O)c1ccc(CO[N+]([O-])=O)cc1
c1cc(ccc1CO)C(=O)O
Cc1ccc(cc1)C(=O)O
OCc1ccc(cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1
Cc1ccc(cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1
C(C1CSC2(CCCC2)S1)N1CCC(Cc2ccccc2)CC1
C(C1CSC2(CCCCCC2)S1)N1CCC(Cc2ccccc2)CC1
C([C@@H]1CS[C@]2(CCc3ccccc23)S1)N1CCC(Cc2ccccc2)CC1
C([C@H]1CS[C@]2(CCc3ccccc23)S1)N1CCC(Cc2ccccc2)CC1
C([C@@H]1CS[C@]2(CCCc3ccccc23)S1)N1CCC(Cc2ccccc2)CC1
C([C@@H]1CS[C@@]2(CCCc3ccccc23)S1)N1CCC(Cc2ccccc2)CC1
C([C@@H]1CS[C@@]2(CCCCc3ccccc23)S1)N1CCC(Cc2ccccc2)CC1
C([C@H]1CS[C@@]2(CCCCc3ccccc23)S1)N1CCC(Cc2ccccc2)CC1
C(C1CSC2(S1)c1ccccc1-c1ccccc21)N1CCC(Cc2ccccc2)CC1
C[C@@]1(SC[C@@H](CN2CCC(Cc3ccccc3)CC2)S1)c1ccccc1
C[C@@]1(SC[C@H](CN2CCC(Cc3ccccc3)CC2)S1)c1ccccc1
CC1(C)SCC(CN2CCC(Cc3ccccc3)CC2)S1
C(C1CSCS1)N1CCC(Cc2ccccc2)CC1
CC1(C)SCC(CN2CCN(Cc3ccccc3)CC2)S1
C(C1CSCS1)N1CCN(Cc2ccccc2)CC1
CC1(C)OCC(CN2CCC(Cc3ccccc3)CC2)O1
CC1(C)OCC(CN2CCN(Cc3ccccc3)CC2)O1
C(C1CSC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
C(C1CSC2(CCCCC2)S1)N1CCC(Cc2ccccc2)CC1
NC(=O)c1ccc(cc1)-c1cc(cc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
NCCCNC(=O)c1ccc(cc1)-c1cc(cc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F
Fc1ccc(CN2CCCN(C2)C(=S)Nc2cc(F)cc(F)c2)cc1
CN(Cc1csc(n1)-c1ccccc1)Cc1cn(CCO)nc1C
OC1COCCC1NC1CCN(CC1)c1ccc(cn1)C(F)(F)F
FC(F)(F)c1cccc(c1)-c1ccc(CNCc2cccnc2)o1
NC(=O)c1cccc(CNC2CCN(C2)c2ccc(F)c(Cl)c2)c1
Cc1nn(c(Cl)c1CNCc1cc(F)cc(F)c1)-c1ccccc1Cl
FC(F)(F)c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
CN(Cc1ccccc1)Cc1c(C)[nH]c2cc(ccc2c1=O)C(F)(F)F
CC(CCc1c[nH]c2ccccc12)NC1CCN(CC1)C(=O)C(C)C
NC(Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc2nccn2n1
FC(F)(F)c1cccc(c1)N1CCC(N1)\N=C\c1ccc(Br)cc1
CN(C)CC(NC(=O)c1cnn(c1C)-c1ccc(F)cc1)c1ccccc1
O=C(N1CCC(C1)N1CCc2ccccc2C1)c1c[nH]c2ccccc12
[2H]C([2H])([2H])Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
CN(CC1CCCCC1)[C@H]1CCC[C@]2(C1)OCCc1ccccc21 |r|
CN(Cc1ccccc1)[C@H]1CCC[C@]2(C1)OCCc1ccccc21 |r|
C(N[C@H]1CCC[C@]2(C1)OCCc1ccccc21)C1CCCCC1 |r|
C(N[C@H]1CCC[C@]2(C1)OCCc1ccccc21)c1ccccc1 |r|
N[C@@H]1C[C@H]1c1ccccc1 |r|
NC1CC1(F)c1ccc(F)cc1
COc1ccc(cc1)C1(F)CC1N
NC1CC1(F)c1ccc(cc1)C(F)(F)F
NC1CC1(F)c1ccc(cc1)S(F)(F)(F)(F)F
NC1(CC1(F)c1ccccc1)c1ccccc1
NCC1CC1(F)c1ccccc1
NC1CC1(F)c1ccc(Cl)cc1
COC(=O)C1(CC1CNC12CC3CC(CC(C3)C1)C2)c1ccccc1 |TLB:8:9:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.18:10,17:15:12:18.9.10,17:9:12:16.14.15|
CCN1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(CCc3ccccn3)CC2)OC2(CC2)C1=O
CCN1CC2(CCN(CCc3c(F)cccc3F)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3ccc(F)cc3F)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3cccc(F)c3F)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3ccc(F)cc3)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3cccc(F)c3)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3ccccc3F)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3ccccc3)CC2)O[C@H](C)C1=O |r|
CN1CC2(CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
CN1CC2(CCN(CCc3ccccc3)CC2)OC(C)(C)C1=O
CN1CC2(CCN(CCc3ccccc3)CC2)OC(C1=O)c1ccccc1
CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O
CC[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O |r|
CN1CC2(CCN(CCc3ccccc3)CC2)OCC1=O
C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O |r|
C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O |r|
CC1OC2(CCN(CCc3ccccc3)CC2)CN(CCc2ccccc2F)C1=O
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O
CCN1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
CC(C)N1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C2CC2)C1=O |r|
CC1OC2(CCN(CCc3ccccc3)CC2)CN(CCc2ccccc2)C1=O
CC1OC2(CCN(CCc3ccccc3)CC2)CN(Cc2ccccc2)C1=O
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCCc1ncc[nH]1)-c1ccccc1
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)N1CCc2ccccc2C1)-c1ccccc1
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCCc1ccc(cc1)C#N)-c1ccccc1
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCC1CCOCC1)-c1ccccc1
O=C1NCCCn2nc3CCC(Cc3c12)NCCc1ccc(cc1)C#N
CN1CCn2nc3CCC(Cc3c2C1=O)NCc1ccc(F)cc1
O=C1NCCn2nc3CCC(Cc3c12)NCCc1ccc2OCOc2c1
CCCn1nc(C(=O)N2CCCCC2)c2CN(CCc3cccc(c3)C(F)(F)F)CCc12
CCCn1nc(C(=O)N2CCCCC2)c2CN(CCc3ccc(F)cc3)CCc12
CCCn1nc(C(=O)Nc2cccc(OC)c2)c2CC(CCc12)NCCc1ccncc1
CCCC(CCC)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
CCCC(CCC)C(=O)O
C(CN1CCCc2ccccc2CC1)Cc1ccccc1
C(CCc1ccccc1)CN1CCCc2ccccc2CC1
C(Cc1ccccc1)NC1CCc2ccccc2C1
C(CCc1ccccc1)CNC1CCc2ccccc2C1
C1Cc2ccccc2CC1N1CCC(CC1)c1ccccc1
C(C1CCN(CC1)C1CCc2ccccc2C1)c1ccccc1
C(Cc1ccccc1)NC1Cc2ccccc2C1
C(CCc1ccccc1)CNC1Cc2ccccc2C1
C1C(Cc2ccccc12)N1CCC(CC1)c1ccccc1
C(C1CCN(CC1)C1Cc2ccccc2C1)c1ccccc1
C(NC1CCc2ccccc2C1)c1ccccc1
CC(=O)N1CCN(CCCOCc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Cc1cc(CCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(CCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
CC(=O)N1CCN(CCOCc2ccn(n2)-c2ccc(F)c(F)c2)CC1
CC(=O)N1CCN(CCOCc2cc(C)n(n2)-c2ccc(F)c(F)c2)CC1
Cc1cc(COCCN2CCNCC2)nn1-c1ccc(Cl)c(Cl)c1
CC(=O)N1CCN(CCOCc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
C[C@H]1CN(CCOCc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 |r|
Cc1cc(COCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(COCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(COCCN2CCOCC2)nn1C1CCCC1
Clc1ccc(cc1Cl)-n1ccc(COCCN2CCOCC2)n1
Cc1cc(COCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(COCCN2CCOCC2)nn1-c1ccc2ccccc2c1
CN1CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
Fc1ccc(cc1)C(SCCNC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(CN2CCC(CC2)NCCSC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Fc1ccc(cc1)C(SCCNC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
[O-][S+](CCNC1CCN(Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
OC(CN1CCC(CC1)NCCSC(c1ccc(F)cc1)c1ccc(F)cc1)Cc1ccccc1
OC(CN1CCC(CC1)NCC[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1)Cc1ccccc1
Fc1ccc(cc1)C(SCCN1CCC(CC1)NCc1ccccc1)c1ccc(F)cc1
Fc1ccc(CNC2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(SCCN1CCC(CC1)NCc1ccc(Cl)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCN1CCC(CC1)NCc1ccc(cc1)C(F)(F)F)c1ccc(F)cc1
OC(CNC1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1ccccc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1cc2ccccc2o1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1
[O-][S+](CCNC1CCN(CC1)C(=O)c1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](CCNC1CCN(CC1)C(=O)c1ccc(F)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(C)(C)C(=O)N1CCC(CC1)NCCSC(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)C1CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC2CC2)CC1)c1ccc(F)cc1
CC(C)(C)CN1CCC(CC1)NCCSC(c1ccc(F)cc1)c1ccc(F)cc1
CC(C)(C)C(=O)N1CCC(CC1)NCC[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1
CC(C)(C)CN1CCC(CC1)NCC[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1ccccc1F)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCNC1CCN(CC1)C(=O)c1ccc(F)cc1F)c1ccc(F)cc1
[O-][S+](CCNC1CCN(CC1)C(=O)c1ccccc1F)C(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](CCNC1CCN(CC1)C(=O)c1ccc(F)cc1F)C(c1ccc(F)cc1)c1ccc(F)cc1
CN(CCSC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCN(CC1)C(=O)c1ccc(F)cc1
CN(CCSC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCN(CC1)C(=O)c1ccccc1F
CC(C)N(CCSC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCN(CC1)C(=O)c1ccccc1F
CN(CC[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1)C1CCN(CC1)C(=O)c1ccccc1F
NC(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
NC(=O)C[S@+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
NC(=O)C[S@@+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
Fc1ccc(CN2CCN(CC2)C(=O)CCCCC2CCSS2)cc1
COc1ccc(CN2CCN(CC2)C(=O)CCCCC2CCSS2)cc1
Fc1ccc(CN2CCC(CC2)OC(=O)CCCCC2CCSS2)cc1
COc1ccc(CN2CCC(CC2)OC(=O)CCCCC2CCSS2)cc1
O=C(CCCC[C@@H]1CCSS1)N1CCN(Cc2ccccc2)CC1 |r|
O=C(CCCC[C@@H]1CCSS1)OC1CCN(Cc2ccccc2)CC1 |r|
[H][C@]12CCCC[C@]11CC(=C)CCN1Cc1ccc(OC)cc21 |r|
OC1CN(CCCOCCc2ccc3sccc3c2)C1
CCOC1(CCN(Cc2ccccc2)CC1)c1ncc(s1)-c1cccnc1
CCOC1(CCN(Cc2ccccc2)CC1)c1ncc(s1)-c1ccncc1
[H][C@@]1(CCN(Cc2ccccc2)Cc2ccccc12)[C@H](OCc1ccccc1)c1ccccc1 |r|
Fc1ccc(CN2CCC(Cc3ccccc3)c3ccccc3C2)cc1
C(C1CCCCC1)N1CCC(Cc2ccccc2)c2ccccc2C1
Clc1ccc(-c2noc(CCCCN3CCOCC3)n2)c(Cl)c1
COc1ccc2c(CCCCN3C4CCCC3CCC4)cccc2c1 |THB:10:11:13.15.14:19.17.18|
Clc1ccc(OCC(=O)NCCN2CCOCC2)cc1Cl
Fc1ccc(cc1)C(NCc1cccc(Br)c1)C1CCN(Cc2ccc(Br)cc2)CC1
Cc1ccc(CN2CCC(CC2)C(O)c2ccc(F)cc2)cc1
OC(C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)C1CCN(Cc2ccc(Br)cc2)CC1
C(COc1cc(COc2ccccc2)on1)NC1CCC1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
O=c1ccoc2ccc(OCCN3CCCC3)cc12
O=c1ccoc2ccc(OCCCN3CCCC3)cc12
O=c1ccoc2ccc(OCCCCN3CCCC3)cc12
O=c1ccoc2ccc(OCCCCCN3CCCC3)cc12
O=c1ccoc2ccc(OCCN3CCCCC3)cc12
O=c1ccoc2ccc(OCCCN3CCCCC3)cc12
O=c1ccoc2ccc(OCCCCN3CCCCC3)cc12
O=c1ccoc2ccc(OCCCCCN3CCCCC3)cc12
O=c1ccoc2ccc(OCCN3CCOCC3)cc12
O=c1ccoc2ccc(OCCCN3CCOCC3)cc12
O=c1ccoc2ccc(OCCCCN3CCOCC3)cc12
CN1CCN(CCOc2ccc3occc(=O)c3c2)CC1
CN1CCN(CCCOc2ccc3occc(=O)c3c2)CC1
CN1CCN(CCCCCOc2ccc3occc(=O)c3c2)CC1
CCN(CC)CCOc1ccc2occc(=O)c2c1
CCN(CC)CCCOc1ccc2occc(=O)c2c1
CCN(CC)CCCCCOc1ccc2occc(=O)c2c1
O=c1ccoc2ccc(OCCN3CCCCCC3)cc12
C[C@@H]1CCCN1CCCCOc1ccc2occc(=O)c2c1 |r|
C[C@@H]1CCCN1CCCCCOc1ccc2occc(=O)c2c1 |r|
COc1cc2CCN(CCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
COc1cc2CN(CCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
COc1cc2CCN(CCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
COc1cc2CCN(CCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
COc1cc2CN(CCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
COc1cc2CCN(CCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
COc1cc2CCN(CCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
COc1cc2CN(CCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
COc1cc2CCN(CCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
COc1cc2CCN(CCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
COc1cc2CN(CCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
COc1cc2CCN(CCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
COc1cc2CCN(CCCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
COc1cc2CN(CCCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
COc1cc2CCN(CCCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
C(CN1CCCC1)[C@@H]1CCC[C@@H](C1)c1ccccc1 |r|
CN(C)CC[C@H]1CCC[C@H](C1)c1ccccc1 |r|
CN(C)CC[C@@H]1CCC[C@@H](C1)c1ccccc1 |r|
CN(C)CCC1CCCC(C1)c1ccccc1
C(CCc1ccccc1)CNCCC1CCCC(C1)c1ccccc1
C(C[C@@H]1CCC[C@H](C1)c1ccccc1)NCc1ccccc1 |r|
C(C[C@H]1CCC[C@@H](C1)c1ccccc1)NCc1ccccc1 |r|
C(C[C@H]1CCC[C@H](C1)c1ccccc1)NCc1ccccc1 |r|
C(C[C@@H]1CCC[C@@H](C1)c1ccccc1)NCc1ccccc1 |r|
NCC[C@@H]1CCC[C@H](C1)c1ccccc1 |r|
NCC[C@H]1CCC[C@@H](C1)c1ccccc1 |r|
NCC[C@H]1CCC[C@H](C1)c1ccccc1 |r|
NCC[C@@H]1CCC[C@@H](C1)c1ccccc1 |r|
C(CN1CCCC1)[C@@H]1CCC[C@H](C1)c1ccccc1 |r|
C(CN1CCN(CC1)c1ccccc1)[C@@H]1CCC[C@@H](C1)c1ccccc1 |r|
C(CN1CCN(CC1)c1ccccc1)[C@H]1CCC[C@@H](C1)c1ccccc1 |r|
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3
CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1
CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccc(C)cc1
CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1
CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccccn1
CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ncccc1F
CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)C(C)c1ccccc1
CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)Cc1ccccc1
CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)CCc1ccccc1
CCC(=O)N(CCCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1
CCC(=O)N(CCCCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1
CCC(=O)N(CCCCCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1
CCC(=O)N(CCN1CCC(CC1)c1ccccc1)c1ccc(OC)cc1
CCC(=O)N(CCN1CCC(CCc2ccccc2)CC1)c1ccc(OC)cc1
CCC(=O)N(CCN1CCC(CCCc2ccccc2)CC1)c1ccc(OC)cc1
CCC(=O)N(CCN1CCC(Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1
CCC(=O)N(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(OC)cc1
CCC(=O)N(CCN1CCC(Cc2ccc(C)cc2)CC1)c1ccc(C)cc1
CCC(=O)N(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(C)cc1
CCC(=O)N(CCN1CCC(Cc2ccc(C)cc2)CC1)c1ccc(F)cc1
CCC(=O)N(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1
Cn1nc(CN2CCCCC2)nc1-c1ccc(cc1)C(C)(C)C
Cn1nc(CN2CCOCC2)nc1-c1ccc(cc1)C(C)(C)C
CN1CCN(Cc2nc(-c3ccc(cc3)C(C)(C)C)n(C)n2)CC1
Cn1nc(CN2CCN(CC2)c2ccccc2)nc1-c1ccc(cc1)C(C)(C)C
Cn1nc(CN2CCN(CCc3ccccc3)CC2)nc1-c1ccc(cc1)C(C)(C)C
Cn1nc(CN2CCN(Cc3ccccc3)CC2)nc1-c1ccc(cc1)C(C)(C)C
Cn1nc(CN2CCC(Cc3ccccc3)CC2)nc1-c1ccc(cc1)C(C)(C)C
Cn1nc(CN2CCCC2)nc1-c1ccc(cc1)C(C)(C)C
CN(CC1CC1)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(C)n1
Cn1nc(CN2CCCC2)nc1-c1ccc(cc1)C1(CC1)C(F)(F)F
Cn1nc(CN2CCCC2)nc1-c1ccc(Cl)c(Cl)c1
Cn1nc(CN2CCCC2)nc1-c1ccc(cc1)C(F)(F)F
Cc1cc(ccc1C(F)(F)F)-c1nc(CN2CCCC2)nn1C
CC(C)c1ccc(cc1)-c1nc(CN2CCCC2)nn1C
Cn1nc(CN2CCCC2)nc1-c1ccc2CCCCc2c1
Cn1nc(CN2CCCC2)nc1-c1cccc(c1)C(C)(C)C
Cn1nc(CN2CCCC2)nc1-c1cccc(c1)C1(CC1)C(F)(F)F
Cn1nc(CN2CCCC2)nc1-c1ccc2ccsc2c1
Cn1nc(CN2CCCC2)nc1-c1ccc2cc(Cl)sc2c1
Cn1nc(CN2CCCC2)nc1-c1ccc(cc1)-c1ccccc1
Cn1nc(CN2CCCC2)nc1-c1ccc(cc1)C1CCCCC1
CCn1nc(CN2CCCC2)nc1-c1ccc(cc1)C(C)(C)C
CC(C)n1nc(CN2CCCC2)nc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1nc(CN2CCCC2)nn1C1CC1
OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(NC(=O)C2CCNCC2)cc1
OCc1cc(no1)-c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
[O-][N+](=O)C1=Cc2cc(I)ccc2OC1C(F)(F)F |t:3|
CC(C)(C)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:12|
CC(=O)NCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:13|
C(C[C@H]1CCC[C@H](O1)c1ccccc1)NCC1CCCCC1 |r|
C(C[C@@H]1CCC[C@@H](O1)c1ccccc1)NCC1CCCCC1 |r|
C(CCc1ccccc1)CNCC[C@H]1CCC[C@H](O1)c1ccccc1 |r|
C(CCc1ccccc1)CNCC[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
CN(C)CC[C@H]1CCC[C@H](O1)c1ccccc1 |r|
CN(C)CC[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
C(CN1CCCC1)[C@H]1CCC[C@H](O1)c1ccccc1 |r|
C(CN1CCCC1)[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
C(CN1CCN(CC1)c1ccccc1)[C@H]1CCC[C@H](O1)c1ccccc1 |r|
C(CN1CCN(CC1)c1ccccc1)[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|
Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
CCCC(CCC)C(=O)O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 |r|
CCCC(CCC)C(=O)O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 |r|
CN1CCN(CC1)C1(CNC(=O)C(C)(c2ccccc2)c2ccccc2)CCCCC1
CN1CCN(CC1)C1(CNC(=O)c2ccccc2Oc2ccccc2)CCCCC1
CC(C)(CNc1ccccc1)N1CCN(Cc2ccccc2)CC1
CCC(=O)N(CC1(CCCCC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CCN1CCN(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CC(C)(C)N1CCN(Cc2ccccc2)CC1)c1ccccc1
COCC(=O)N(CC(C)(C)N1CCN(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
COCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(Cc1ccccc1)CC1(CC1)N1CCN(Cc2ccccc2)CC1
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1O
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1F
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccn1
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ncccc1F
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ncccc1C(F)(F)F
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCN(C)CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CC1(COC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CC1(CCOCC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CC1(CCOCC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCSCC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOC(C)(C)C1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CC2CN(Cc3ccccc3)CC2C1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)C1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCNCC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CCc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CC1)C(C)c1ccccc1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CC1)C(CO)c1ccccc1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CC(O)c2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCCN1CCN(CC1)C1(CN(C(=O)CC)c2cccc(n2)C(F)(F)F)CCOCC1
CCCCN1CCN(CC1)C1(CN(C(=O)CC)c2cccc(n2)C(F)(F)F)CCOCC1
CCC(=O)N(CC1(CCOCC1)N1CCN(CC(C)C)CC1)c1cccc(n1)C(F)(F)F
CCOC(=O)CCN1CCN(CC1)C1(CN(C(=O)CC)c2cccc(n2)C(F)(F)F)CCOCC1
CCC(=O)N(CC1(CCOCC1)N1CCN(CCOC)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CCOC(C)C)CC1)c1cccc(n1)C(F)(F)F
CCOCCN1CCN(CC1)C1(CN(C(=O)CC)c2cccc(n2)C(F)(F)F)CCOCC1
CCC(=O)N(CC1(CCOCC1)N1CCN(CCOCC(C)C)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CCOc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CCOCC(F)(F)F)CC1)c1cccc(n1)C(F)(F)F
CCCOCCN1CCN(CC1)C1(CN(C(=O)CC)c2cccc(n2)C(F)(F)F)CCOCC1
CCC(=O)N(CC1(CCOCC1)N1CCN(CCCOC)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CC(C)(C)O)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCCCC1)N1CCN(C)CC1)c1ccccc1
CCC(=O)N(CC(C)(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
CCC(CN(C(=O)CC)c1ccccc1)N1CCC(Cc2ccccc2)CC1
CCC(=O)N(CC(C)N1CCC(CC1)c1ccccc1)c1ccccc1
CCC(=O)N(CC(C)N1CCC(CCc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CC(C)N1CCC(CCCc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CC(C)N1CCC(Cc2ccc(C)cc2)CC1)c1ccccc1
CCC(=O)N(CC(C)N1CCC(Cc2ccc(F)cc2)CC1)c1ccccc1
CCC(=O)N(CCN1CCCCC1)c1ccccc1
CCC(=O)N(CC(C)N1CCC(C)CC1)c1ccccc1
CC(CN(C(C)=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1
CCCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
CC(C)C(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
COCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
CC(CN(C(=O)c1ccco1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1
CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(Br)cc1
CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(C)cc1
CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1
CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccn1
CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)Cc1ccccc1
CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)Cc1ccco1
CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1cccc2ccccc12
CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)C1CCc2ccccc12
CCC(=O)N(C[C@H](C)N1CCC(Cc2ccccc2)CC1)c1ccccc1 |r|
CCC(=O)N(C[C@@H](C)N1CCC(Cc2ccccc2)CC1)c1ccccc1 |r|
CN1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O)cc31 |THB:0:1:9:18.11.12|
[H][C@]12Cc3ccc(OC(F)(F)F)cc3[C@@]3(CCCC[C@]13[H])CCN2C |r,THB:4:3:19:23.21.22,12:13:19:23.21.22|
[H][C@]12Cc3ccc(OC(F)F)cc3[C@@]3(CCCC[C@]13[H])CCN2C |r,THB:4:3:18:22.20.21,11:12:18:22.20.21|
[H][C@]12Cc3ccc(cc3[C@@]3(CCCC[C@]13[H])CCN2C)C(F)(F)F |r,THB:4:3:14:18.16.17,7:8:14:18.16.17|
[H][C@]12Cc3ccc(cc3[C@@]3(CCCC[C@]13[H])CCN2C)C(F)F |r,THB:4:3:14:18.16.17,7:8:14:18.16.17|
[H][C@]12Cc3ccc(cc3[C@@]3(CCCC[C@]13[H])CCN2C)C(F)(F)C(F)(F)F |r,THB:4:3:14:18.16.17,7:8:14:18.16.17|
[H][C@]12Cc3ccc(cc3[C@@]3(CCCC[C@]13[H])CCN2C)C(C)(F)F |r,THB:4:3:14:18.16.17,7:8:14:18.16.17|
[H][C@]12CC[C@@]([H])(CNC1)C2(O)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
[H][C@]12C[C@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r|
[H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2 |r|
[H][C@@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(C1)C(=O)N2 |r|
[H][C@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@]([H])(CN1)C2 |r|
[H][C@@]12CC([C@@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2)S(C)(=O)=O |r|
N[C@H]1C[C@@H](CO)[C@@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
[H][C@@]12C[C@@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(=O)OCC(=O)N(C)C)C(=O)N2 |r|
C[C@@H]1CCCCN1CCOc1ccc(Cl)cc1
C[C@H]1CCCCN1CCOc1ccc(Cl)cc1
C[C@H]1CCC[C@@H](C)N1CCCOc1ccc(Cl)cc1
C[C@H]1CCC[C@@H](C)N1CCOc1ccc(Cl)cc1
CC1(C)CCCC(C)(C)N1CCOc1ccc(Cl)cc1
COc1ccc(OCCN2CCC(C)CC2)cc1
COc1ccc(OC[C@@H](C)N2CCC(C)CC2)cc1
COc1ccc(OC[C@H](C)N2CCC(C)CC2)cc1
COc1ccc(OCCN2CCCC[C@H]2C)cc1
COc1ccc(OCCN2CCCC[C@@H]2C)cc1
COc1ccc(OCCCN2[C@@H](C)CCC[C@H]2C)cc1
COc1ccc(OCCN2[C@@H](C)CCC[C@H]2C)cc1
COc1ccc(OCCN2C(C)(C)CCCC2(C)C)cc1
[H][C@@]12CN(C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1)c1ccccc1 |r|
[H][C@@]12CN(CCCCC)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1 |r|
[H][C@@]12CN(Cc3ccccc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@@]12CN(Cc3ccccc3)C[C@@]1([H])n1nnc(c1CO2)-c1cccc(F)c1 |r|
[H][C@]12CN(Cc3ccccc3)C[C@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@]12CN(Cc3ccccc3)C[C@]1([H])n1nnc(c1CO2)-c1cccc(F)c1 |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccn1 |r|
[H][C@]12CN(Cc3ccc(F)cc3)C[C@]1([H])n1nnc(c1CO2)-c1ccccn1 |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(c1CO2)-c1cccnc1 |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccncc1F |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(c1CO2)-c1ncccc1F |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccc(F)cn1 |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(c1CO2)-c1ncccn1 |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(C3CCOCC3)c1CO2 |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(C3CCN(C)CC3)c1CO2 |r|
[H][C@@]12CN(Cc3nccn3C)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@@]12CN(Cc3cccnc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@@]12CN(Cc3ccc(nc3)C(F)(F)F)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@@]12CN(Cc3ccc(OC)nc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@]12CN(Cc3ccc(OC)nc3)C[C@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@@]12CN(Cc3ccc(OC)nc3)C[C@@]1([H])n1nnc(c1CO2)-c1cccc(F)c1 |r|
[H][C@@]12CN(C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F)C1CCOCC1 |r|
[H][C@]12CN(C[C@]1([H])n1nnc(c1CO2)-c1ccccc1F)C1CCOCC1 |r|
[H][C@@]12CN(C[C@@]1([H])n1nnc(c1CO2)-c1ccc(F)cn1)C1CCOCC1 |r|
[H][C@]12CN(C[C@]1([H])n1nnc(c1CO2)-c1ccc(F)cn1)C1CCOCC1 |r|
[H][C@@]12CN(CC3CCOCC3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@]12CN(CC3CCOCC3)C[C@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@@]12CN(CC3CCOCC3)C[C@@]1([H])n1nnc(c1CO2)-c1ccc(Cl)cc1Cl |r|
[H][C@@]12CN(CCC3CCOCC3)C[C@@]1([H])n1nnc(c1CO2)-c1ccc(F)cc1F |r|
[H][C@]12CN(C[C@]1([H])n1nnc(c1CO2)-c1ccc(F)cc1Cl)C1CCOCC1 |r|
[H][C@@]12CN(C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F)C(=O)OC(C)(C)C |r|
[H][C@@]12CNC[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F
[H][C@]12CN(Cc3ccccc3)C[C@@]1([H])n1nnc(c1CO2)-c1cccc(F)c1 |r|
Fc1ccccc1-c1nnn2C3CN(Cc4ccccc4)CC3OCc12
Fc1cccc(c1)-c1nnn2C3CN(Cc4ccccc4)CC3OCc12
CCCC(CCC)c1nc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3c2[nH]1
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCC=CCC2)cc1Cl |c:25|
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCCCCCC2)cc1Cl
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCCCCCCCCC2)cc1Cl
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C23CCCC(CCC2)C3)cc1Cl
[H][C@]12CCC[C@]([H])(C[C@@H](C1)c1nc3c(Nc4ccc(Cl)c(Cl)c4)nc4ccccc4c3[nH]1)C2 |r|
O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1 |r|
O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1 |r|
O[C@H]1CCCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1 |r|
O[C@H]1CCCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1 |r|
O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1 |r|
O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(I)c2)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(I)c2)CC1 |r|
COc1cccc(c1)S(=O)(=O)N1CCC[C@@H]1CCN1CCC(C)CC1
CCC(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1
CCC(=O)N(CCc1ccccc1)C1CCN(Cc2ccccc2)CC1
CCC(=O)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1
CCC(=O)N(CCc1ccccc1)C1CCN(CCc2ccccc2)CC1
CCC(=O)N(Cc1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
CCC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
CCC(=O)N(Cc1ccc(OC)cc1)C1CCN(CCc2ccccc2)CC1
CCC(=O)N(Cc1ccc(C)cc1)C1CCN(CCc2ccccc2)CC1
CCC(=O)N(Cc1ccccc1F)C1CCN(CCc2ccccc2)CC1
CCC(=O)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1
CCC(=O)N(Cc1ccc(F)cc1F)C1CCN(CCc2ccccc2)CC1
CCC(=O)N(C(C)c1ccccc1)C1CCN(CCc2ccccc2)CC1
CCCC(=O)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1)c1ccco1
O=C(C1CCCCC1)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(C1CCCC1)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1
O=C(C1CC1)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1
CC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
CCCC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
Fc1ccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccco2)cc1
COCC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
CCCC(=O)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1
Fc1cccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccco2)c1
Fc1cccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccccc2)c1
Fc1ccc(cc1)C(=O)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1
Fc1cccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2cccs2)c1
Fc1cccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)C2CCCCC2)c1
Fc1cccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)C2CCCC2)c1
Fc1cccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)C2CC2)c1
Clc1ccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccco2)cc1
COc1ccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccco2)cc1
Cc1ccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccco2)cc1
Fc1ccccc1CN(C1CCN(CCc2ccccc2)CC1)C(=O)c1ccco1
Fc1ccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccco2)c(F)c1
CC(N(C1CCN(CCc2ccccc2)CC1)C(=O)c1ccco1)c1ccccc1
[H][C@@]12Cc3ccc(O)cc3[C@](C)(CCN1CC=C)[C@H]2C |r,TLB:15:14:18:9.3.2|
CN(CCCNC(=O)c1ccc2ccccc2n1)Cc1ccccc1
CN(CCCNC(=O)c1ccc2ccccc2c1)Cc1ccccc1
CN(CCCNC(=O)c1cc2ccccc2o1)Cc1ccccc1
CN(CCCNC(=O)c1ccco1)Cc1ccccc1
COc1ccc(CN(C)CCCNC(=O)c2ccc3ccccc3n2)cc1OC
COc1ccc(CN(C)CCCNC(=O)c2ccc3ccccc3c2)cc1OC
COc1ccc(CN(C)CCCNC(=O)c2cc3ccccc3o2)cc1OC
COc1ccc(CN(C)CCCNC(=O)c2ccco2)cc1OC
C(N1CCC(CC1)n1cc(Cc2ccccc2)nn1)c1ccccc1
Brc1ccc(Cc2cn(nn2)C2CCN(Cc3ccccc3)CC2)cc1
[O-][N+](=O)c1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1
Fc1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1
Nc1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1
CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CC(C)N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)C(C)(C)C)nc12
CCCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CN(C)CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CN(C)CCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CCOCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CCCCCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
Cc1cccc2sc(NC(=O)CCN3CCN(CC4CCCO4)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)C3CCCCC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC4CCCCC4)CC3)nc12
CN1CCC(CC1)N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CC(C)N(CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1)C(C)C
Cc1ccccc1N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CC(=O)c1ccc(cc1)N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)c3ccccn3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)c3ccncc3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)c3ncccn3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4ccccc4F)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4cc(F)ccc4F)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4ccc(cc4)C(C)(C)C)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4cccc5ccccc45)CC3)nc12
Cc1cc(OCCN2CCOCC2)nn1-c1cccc2ccccc12
CC(=O)N1CCN(CCOc2cc(C)n(n2)-c2ccc(F)c(F)c2)CC1
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccccc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:16|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccccc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:3.2:16|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccccc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:3.2:16|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccccc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:16|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccc(F)cc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccc(F)cc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccc(F)cc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:2.3:17,18:17:2.3:6.7.8|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccc(F)cc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccc(Cl)cc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccc(Cl)cc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccc(Cl)cc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccc(Cl)cc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccccc1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:9:7:3.2:16|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccccc1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:9:7:3.2:16|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccc(F)cc1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccc(F)cc1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C[C@@H](Cc3ccccc3)C1)N2C[C@H](O)c1ccccc1 |r,TLB:8:7:3.2:16|
[H][C@]12CC[C@]([H])(C[C@H](Cc3ccccc3)C1)N2C[C@@H](O)c1ccccc1 |r,TLB:8:7:3.2:16|
[H][C@]12CC[C@]([H])(C[C@H](Cc3ccccc3)C1)N2C[C@H](O)c1ccccc1 |r,TLB:8:7:3.2:16|
[H][C@]12CC[C@]([H])(C[C@@H](Cc3ccccc3)C1)N2C[C@@H](O)c1ccccc1 |r,TLB:8:7:3.2:16|
[H][C@]12CC[C@]([H])(C[C@@H](Cc3ccc(F)cc3)C1)N2C[C@H](O)c1ccccc1 |r,TLB:8:7:3.2:17|
[H][C@]12CC[C@]([H])(C[C@H](Cc3ccc(F)cc3)C1)N2C[C@@H](O)c1ccccc1 |r,TLB:8:7:3.2:17|
[H][C@]12CC[C@]([H])(C[C@H](Cc3ccc(F)cc3)C1)N2C[C@H](O)c1ccccc1 |r,TLB:8:7:3.2:17|
[H][C@]12CC[C@]([H])(C[C@@H](Cc3ccc(F)cc3)C1)N2C[C@@H](O)c1ccccc1 |r,TLB:8:7:3.2:17|
[H][C@]12CC[C@]([H])(C[C@@H](Cc3ccccc3)C1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:8:7:3.2:16|
[H][C@]12CC[C@]([H])(C[C@H](Cc3ccccc3)C1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:8:7:3.2:16|
[H][C@]12CC[C@]([H])(C[C@@H](Cc3ccc(F)cc3)C1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:8:7:3.2:17|
[H][C@]12CC[C@]([H])(C[C@H](Cc3ccc(F)cc3)C1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:8:7:3.2:17|
OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
NC(=S)c1ccc(cc1)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
c1cc(ccc1C(=O)N)C(=O)O
NC(=S)c1ccc(cc1)C(O)=O
NC(=O)c1ccc(cc1)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
NC(=S)c1ccc(cc1)C(=O)OCCCCN1CCC(O)(CC1)c1ccc(Cl)cc1
NC(=O)c1ccc(cc1)C(=O)OCCCCN1CCC(O)(CC1)c1ccc(Cl)cc1
NC(=S)c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
NC(=O)c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
NC(=S)c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
NC(=O)c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
CNCCc1ccc(O)cc1
[H][C@]12C[C@@H](N3CCCC3)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:15:12:3.2:11,4:3:11:12.14.13|
[H][C@@]12C[C@H](N3CCCC3)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:4:3:12.13.14:11,15:12:11:3.2|
[H][C@]12C[C@@H](N(C)C)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:13:10:3.2:9,4:3:9:10.12.11|
[H][C@@]12C[C@H](N(C)C)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:4:3:10.11.12:9,13:10:9:3.2|
[H][C@]12CC[C@@H](N3CCCC3)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:16:13:4.3.2:12,5:4:12:13.15.14|
[H][C@@]12CC[C@H](N3CCCC3)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:16:13:4.3.2:12,5:4:12:13.15.14|
CN(C)[C@@H]1CCC2CCN(C1C2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:1:3:11:9.7.8,THB:12:9:3.4.5:11|
CCCN1CCN(CC1)c1ccc2C3CC(N(CC3)C(=O)OCc3ccccc3)c2c1
CN1CCN(CC1)c1ccc2C3CC(N(CC3)C(=O)OCc3ccccc3)c2c1 |THB:28:27:12:14.16.15,9:10:12:14.16.15,17:14:27.10:12|
Clc1ccc2C3CC(N(CCc4ccccc4)CCC3)c2c1
OCCCN1CCCC2CC1c1cc(ccc21)-c1ccc(cc1)C(F)(F)F
CCCN1CCN(CC1)c1cccc(c1)C1CCCCN1C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1CCCCC1c1cccc(c1)N1CCN(CC1)C1CCCC1
OCCCN1CCN(CC1)c1cccc(c1)C1CCCCN1C(=O)OCc1ccccc1
CCOC(=O)CCN1CCN(CC1)c1cccc(c1)C1CCCCN1C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1ccc(cc1)C1CCCCN1C(=O)OCc1ccccc1
CCCN1CCNC(C1)c1cccc(c1)C1COCCN1C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1CCOCC1c1cccc(c1)N1CCN(CC1)C1CCCC1
OCCCN1CCN(CC1)c1cccc(c1)C1COCCN1C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1cccc(c1)C1CN(C)CCN1C(=O)OCc1ccccc1
CN1CCN(C(C1)c1cccc(c1)N1CCN(CC1)C1CCCC1)C(=O)OCc1ccccc1
CN1CCN(C(C1)c1cccc(c1)N1CCN(CCCO)CC1)C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1cccc(c1)C1CCCCN1C(=O)OCc1cc(Cl)cc(Cl)c1
CCCN1CCN(CC1)c1cccc(c1)C1CCCCN1C(=O)\C=C\c1ccccc1
CCCN1CCN(CC1)c1cccc(c1)C1CCCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
CCC(=O)N(C1CCN(Cc2ccccc2)CC1)c1nc(cs1)-c1ccccc1
CCC(=O)N(CCN1CCC(C1)N(C)Cc1ccccc1)c1ccccc1
CC(C)S(=O)(=O)Nc1cccc(c1)N1CCN(Cc2cn(nn2)-c2ccccc2)CC1
CC(C)S(=O)(=O)Nc1cccc(c1)N1CCN(Cc2cn(nn2)-c2ccccc2F)CC1
CC(C)S(=O)(=O)Nc1cccc(c1)C1CCN(Cc2cn(nn2)-c2ccccc2)CC1
Oc1cccc(c1)C1CCN(Cc2cn(nn2)-c2ccccc2)CC1
CC(=O)Oc1cccc(c1)C1CCN(Cc2cn(nn2)-c2ccccc2)CC1
CN1CCc2ccccc2C11CCN(CCc2ccccc2)CC1
COc1ccc2c(CCN(C)C22CCN(CCc3ccccc3)CC2)c1
CN1CC2(CCN(CCc3ccccc3)CC2)c2ccccc2C1=O
CCN1CC2(CCN(CCc3ccccc3)CC2)c2ccccc2C1=O
CN(CCOC(c1cccs1)c1ccnn1C)Cc1ccccc1
CN(CCOC(c1cccs1)c1ccnn1C)CCc1ccccc1
O=C(c1ccccc1)C1(CCOC2(CCCC2)C1)N1CCN(Cc2ccccc2)CC1
O=C(c1ccccn1)C1(CCOC2(CCCC2)C1)N1CCN(Cc2ccccc2)CC1
FC(F)(F)c1cccc(n1)C(=O)C1(CCOC2(CCCC2)C1)N1CCN(Cc2ccccc2)CC1
CCOCCN1CCCCC(CC)(C1)c1cccc(O)c1
C[C@H](CCN1CCC(CC1)NC(C)=O)c1ccc(cc1)-c1ccccc1 |r|
C[C@H](CCN1CCC(CC1)NC(=O)CC(=O)NC1CCN(CC[C@@H](C)c2ccc(cc2)-c2ccccc2)CC1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H](CCN1CCC(CC1)NC(=O)CCCC(=O)NC1CCN(CC[C@@H](C)c2ccc(cc2)-c2ccccc2)CC1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H](CCN1CCC(CC1)NC(=O)CCCCCC(=O)NC1CCN(CC[C@@H](C)c2ccc(cc2)-c2ccccc2)CC1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H](CCN1CCC(CC1)NC(=O)COCCOCC(=O)NC1CCN(CC[C@@H](C)c2ccc(cc2)-c2ccccc2)CC1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H](CCN1CCC(CC1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC1CCN(CC[C@@H](C)c2ccc(cc2)-c2ccccc2)CC1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H](CCN1CCC(CC1)NC(=O)c1ccccc1C(=O)NC1CCN(CC[C@@H](C)c2ccc(cc2)-c2ccccc2)CC1)c1ccc(cc1)-c1ccccc1 |r|
C[C@H](CCN1CCC(CC1)NC(=O)COCCOCCOCCOCCNC(=O)c1ccccc1)c1ccc(cc1)-c1ccccc1 |r|
COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1F |r|
Fc1ccc2c(CN3CCC(F)(F)[C@H](CCc4ccccc4)C3)c[nH]c2c1 |r|
C(Oc1ccccc1)[C@@H]1CN(Cc2ccc3[nH]ccc3c2)CCO1 |r|
Fc1ccc(OC[C@@H]2CN(Cc3ccc4[nH]cnc4c3)CCO2)cc1F |r|
Fc1ccc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)cc1F
Fc1cc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)ccc1Cl
FC(F)(F)c1cccc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)c1
Cn1cnc2cc(CN3CCC(CC3)OCc3ccc(F)c(F)c3)ccc12
Cn1cnc2cc(CN3CCC(CC3)OCc3ccc(Cl)c(F)c3)ccc12
Cn1cnc2cc(CN3CCC(CC3)OCc3cccc(c3)C(F)(F)F)ccc12
Fc1ccc(COC2CCN(Cc3ccc4[nH]ncc4c3)CC2)cc1F
Fc1cc(COC2CCN(Cc3ccc4[nH]ncc4c3)CC2)ccc1Cl
FC(F)(F)c1cccc(COC2CCN(Cc3ccc4[nH]ncc4c3)CC2)c1
Cn1ncc2cc(CN3CCC(CC3)OCc3ccc(F)c(F)c3)ccc12
Cn1ncc2cc(CN3CCC(CC3)OCc3ccc(Cl)c(F)c3)ccc12
Cn1ncc2cc(CN3CCC(CC3)OCc3cccc(c3)C(F)(F)F)ccc12
Cn1ncc2cc(CN3CCO[C@H](COc4ccc(F)c(F)c4)C3)ccc12 |r|
Cc1csc(OC[C@@H]2CN(Cc3ccc4n(C)ncc4c3)CCO2)n1 |r|
Cc1cccc(CO[C@H]2CCCN(Cc3ccc4n(C)ncc4c3)C2)n1 |r|
Cc1ccccc1CO[C@H]1CCCN(Cc2ccc3n(C)ncc3c2)C1 |r|
Fc1ccc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)cc1F
Fc1cc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)ccc1Cl
FC(F)(F)c1cccc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)c1
Cc1cccc(CO[C@H]2CCCN(Cc3cc4ccc(Cl)cc4[nH]3)C2)n1 |r|
Cc1csc(OC[C@@H]2CN(Cc3cc4ccc(Cl)cc4[nH]3)CCO2)n1 |r|
Fc1ccc(COC2CCN(Cc3ncc4ccccn34)CC2)cc1F
Fc1cc(COC2CCN(Cc3ncc4ccccn34)CC2)ccc1Cl
FC(F)(F)c1cccc(COC2CCN(Cc3ncc4ccccn34)CC2)c1
FC(F)(F)Oc1cccc(CO[C@H]2CCCN(Cc3ncc4ccccn34)C2)c1 |r|
Cc1nc(CN2CCC(CC2)OCc2ccc(F)c(F)c2)c2ccccn12
Cc1nc(CN2CCC(CC2)OCc2ccc(Cl)c(F)c2)c2ccccn12
Cc1nc(CN2CCC(CC2)OCc2cccc(c2)C(F)(F)F)c2ccccn12
Fc1ccc(COC2CCN(Cc3cn4ccccc4n3)CC2)cc1F
Fc1cc(COC2CCN(Cc3cn4ccccc4n3)CC2)ccc1Cl
FC(F)(F)c1cccc(COC2CCN(Cc3cn4ccccc4n3)CC2)c1
Cc1cccc(COC2CCN(Cc3cn4ccccc4n3)CC2)n1
C(OC1CCN(Cc2cn3ccccc3n2)CC1)c1ccccn1
Fc1cccc(CO[C@H]2CCCN(Cc3cn4ccccc4n3)C2)c1 |r|
FC(F)(F)Oc1cccc(CO[C@H]2CCCN(Cc3cn4ccccc4n3)C2)c1 |r|
Cc1ccccc1CO[C@H]1CCCN(Cc2cn3ccccc3n2)C1 |r|
Fc1ccc(OC[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)cc1F |r|
Cc1c(Cl)cccc1NC(=O)CN1CCC(CC1)OCc1ccc(F)c(F)c1
Cc1c(Cl)cccc1NC(=O)CN1CCC(CC1)OCc1cccc(c1)C(F)(F)F
Cc1c(Cl)cccc1NC(=O)CN1CCC(CC1)OCc1ccc(Cl)c(F)c1
Cc1cc(NC(=O)CN2CCC(CC2)OCc2ccc(F)c(F)c2)ccc1F
COc1ccc(CN2CCC[C@@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
COc1ccc(CN2CCC[C@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
COc1ccc(CN2CCC[C@@H](C2)OCc2cccc(F)c2)cc1F |r|
COc1ccc(CN2CCC[C@@H](C2)OCc2ccccc2C)cc1F |r|
COc1ccc(CN2CCC[C@@H](C2)OCc2ccc(C)cc2)cc1F |r|
Cc1ccc(CO[C@H]2CCCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
Cc1ccc(CO[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 |r|
COc1ccc(CO[C@H]2CCCN(Cc3ccc(C)cc3)C2)cc1F |r|
Cc1ccc(CN2CCC[C@@H](C2)OCc2ccc(F)c(C)c2)cc1 |r|
Cc1ccccc1CN1CCC[C@@H](C1)OCc1cccc(F)c1 |r|
Cc1c(Cl)cccc1NC(=O)CN1CCC2(CCCN2Cc2ccc(F)c(F)c2)CC1
Cc1c(Cl)cccc1NC(=O)CN1CCC2(CCCN2Cc2ccc(F)c(F)c2)C1
Cc1c(Cl)cccc1NC(=O)CN1CCC2(C1)CCCN(Cc1ccc(F)c(F)c1)C2
Cc1cc(NC(=O)CN2CCC3(CCCN3Cc3ccc(F)c(F)c3)CC2)ccc1F
Cc1cc(NC(=O)CN2CCC3(CCCN3Cc3ccc(F)c(F)c3)C2)ccc1F
Cc1cc(NC(=O)CN2CCC3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)ccc1F
Fc1ccc(CN2CCCC22CCN(Cc3cn4ccccc4n3)C2)cc1F
Fc1ccc(CN2CCCC22CCN(Cc3cc4ccc(Cl)cc4[nH]3)C2)cc1F
Fc1ccc(CN2CCCC3(CCN(Cc4cc5ccc(Cl)cc5[nH]4)C3)C2)cc1F
CN(C)c1ccc2C(=O)N(Oc3cccc4C(CCCN5CCN(CC5)C5CCCCC5)CCCc34)C(=O)c2c1
COc1cc2CCN(CCCN3CCc4c(OCCCCCCN5C(=O)c6ccc(cc6C5=O)N(C)C)cccc4C3=O)Cc2cc1OC
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCS(=O)(=O)c1cccc2c(cccc12)N(C)C |TLB:12:13:21:16.17.18|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCNc1ccc([N+]([O-])=O)c2nonc12 |TLB:12:13:21:16.17.18|
CN(C)c1ccc2C(=O)N(CCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)C(=O)c2c1
CN(C)c1ccc2C(=O)N(CCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)C(=O)c2c1
F[B-]1(F)n2c(ccc2-c2ccc(OCC(=O)NCCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)cc2)C=C2C=CC(c3cccs3)=[N+]12 |c:61,t:59,69|
C[N+]1=C(C=CC=CC=C2/N(CCCCCC(=O)NCCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
C[N+]1=C(C=CC=CC=CC=C2/N(CCCCCC(=O)NCCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
CN(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc2ccn(CCCCN3CCC4(CC3)OCc3ccccc43)c2c1
F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(c3ccc(OCC(=O)Nc4ccc5ccn(CCCCN6CCC7(CC6)OCc6ccccc76)c5c4)cc3)=[N+]12 |c:17,t:15,63|
C[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)Nc3ccc4ccn(CCCCN5CCC6(CC5)OCc5ccccc65)c4c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
C[N+]1=C(C=CC=CC=CC=C2N(CCCCCC(=O)Nc3ccc4ccn(CCCCN5CCC6(CC5)OCc5ccccc65)c4c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
C(CCn1ccc2ccccc12)CN1CCC2(CC1)OCc1ccccc21
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:10.4.3:1|
[H][C@@]12CCN(Cc3ccccc3)[C@H](Cc3ccccc13)[C@@H]2C(C)C |r,THB:5:4:19.14.13:20|
[H][C@@]12CCN(Cc3ccccc3)[C@H](Cc3ccccc13)[C@@H]2CC |r,THB:5:4:19.14.13:20|
[H][C@@]12CCN(Cc3ccccc3)[C@H](Cc3ccccc13)[C@@H]2C |r,THB:5:4:19.14.13:20|
[H][C@@]12Cc3ccc(O)cc3[C@](C)(CCN1Cc1ccccc1)[C@@H]2C |r,THB:15:14:22:9.3.2,8:9:22:14.12.13|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc1ccccc1F |r,TLB:16:15:10.4.3:1|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc1ccc(F)cc1 |r,TLB:16:15:10.4.3:1|
COC(=O)[C@@]1(C[C@@H]1CN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21)c1ccccc1 |r,TLB:7:8:23.17.16:13|
COC(=O)C1(CC1CN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21)c1ccccc1 |r,TLB:7:8:23.17.16:13|
COC(=O)[C@]1(C[C@H]1CN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21)c1ccccc1 |r,TLB:7:8:23.17.16:13|
COC(=O)[C@@]1(C[C@@H]1CN1CC[C@@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccc(Cl)cc1 |r,TLB:7:8:23.17.16:13|
C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2CCN1CCCC1 |r,TLB:15:14:9.4.3:1|
C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2CCN1CCCCC1 |r,TLB:15:14:9.4.3:1|
C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2CCN(C)c1ccccc1 |r,TLB:15:14:9.4.3:1|
C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2CCNc1ccccc1 |r,TLB:15:14:9.4.3:1|
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(F)cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:10.4.3:1|
C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(C)CCN2Cc1ccccc1)N(C)C |r,TLB:15:14:9.4.3:1|
C[C@@H]1[C@@H]2Cc3ccc(N)cc3[C@]1(C)CCN2Cc1ccccc1 |r,TLB:16:15:10.4.3:1|
C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2Cc1ccccc1 |r,TLB:15:14:9.4.3:1|
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])c(Cl)c3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:17:16:11.4.3:1|
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])c(Br)c3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:17:16:11.4.3:1|
C[C@@H]1[C@@H]2Cc3cc(I)c(O)cc3[C@]1(C)CCN2Cc1ccccc1 |r,TLB:17:16:11.4.3:1|
C[C@@H]1[C@@H]2Cc3ccc(O)c(Br)c3[C@]1(C)CCN2Cc1ccccc1 |r,TLB:17:16:11.4.3:1|
C[C@@H]1[C@@H]2Cc3ccc(O)c(Cl)c3[C@]1(C)CCN2Cc1ccccc1 |r,TLB:17:16:11.4.3:1|
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC=C |r,TLB:16:15:4.10.3:1|
[H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1CCCCC=C)[C@H]2C |r,THB:22:21:3.9.2:14.12.13|
[H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1CCC=C)[C@H]2C |r,THB:8:9:19:12.13.14,15:14:19:3.9.2|
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2ccc(C)nc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2cc(C)cnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(C)c2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(C)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2ccc(OC)nc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(OC)c2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(OC)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2ccc(Cl)nc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2cc(Cl)cnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2c(Cl)ccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(Cl)c2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(Cl)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(F)c2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(Br)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(cc2cccnc12)C(F)(F)F
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(O)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(cc2cccnc12)C#N
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(cc2cccnc12)C1CC1
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(C)c(Cl)c2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(OC)c2ccc(OC)nc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(Cl)c2ccc(OC)nc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c2cccnc12
CN(C)CCNc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12
CN(C)CCCNc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12
CN(C)CCOc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12
Fc1cc(NC(=O)c2cnc(NCCN3CCCC3)cn2)c2ncccc2c1
Fc1cc(NC(=O)c2cnc(NCCN3CCS(=O)(=O)CC3)cn2)c2ncccc2c1
CN(C)CCNS(=O)(=O)c1cnc(cn1)C(=O)Nc1cc(C)cc2cccnc12
Cc1cc(NC(=O)c2cnc(cn2)N2CCN(CCN)CC2)c2ncccc2c1
Cc1cc(NC(=O)c2cnc(NCCN3CCNCC3)cn2)c2ncccc2c1
CCN(CCO)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(C)cc2cccnc12
Cc1cc(NC(=O)c2cnc(OC3CCNCC3)cn2)c2ncccc2c1
CCN(CC)CCCC(C)NCC(=O)Nc1cc(C)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(CNc2cc(F)cc3cccnc23)cn1
CCN(CC)CCCC(C)Nc1nc(cs1)C(=O)Nc1cc(F)cc2cccnc12
CCN(CC)CCCC(C)Nc1ccc(nc1)S(=O)(=O)Nc1cc(F)cc2cccnc12
COc1cc2CCN(CCCCn3c4ccccc4n(C)c3=O)Cc2cc1OC
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3N)c(=O)oc2c1
Cc1cc(on1)-c1cnc(C)nc1C1CCN(CC(=O)N2CCOCC2)CC1
Cc1cc(on1)-c1cncnc1C1CCN(CC(=O)N2CCOCC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CC(C)c1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CCCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
Cc1cc(on1)-c1cnc(nc1C1CCN(CC(=O)N2CCOCC2)CC1)C1CC1
Cc1cc(on1)-c1cnc(nc1C1CCN(CC(=O)N2CCOCC2)CC1)C(F)(F)F
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCCCC2)CC1
CCCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCC(F)(F)CC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCCOCC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCC3(CCOC3)CC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCCN(C)CC2)CC1
CCc1ncc(-c2ccncc2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CCc1ncc(-c2ccccn2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CCc1ncc(-c2cccc(C)n2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CCc1ncc(-c2nccn2C)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
Cc1cc(on1)-c1cnc(C)nc1C1CCN(CC1)C(=O)CN1CCOCC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CCC(=O)N2CCOCC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CCN2CCOCC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)C1
CCc1ncc(-c2cc(C)no2)c(n1)[C@@H]1CCCN(CC(=O)N2CCOCC2)C1 |r|
CCc1ncc(-c2cc(C)no2)c(n1)[C@H]1CCCN(CC(=O)N2CCOCC2)C1 |r|
CCc1ncc(-c2cc(C)no2)c(n1)C1CCCN(CC(=O)N2CCOCC2)CC1
CCn1cc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CCn1ncc(-c2cc(C)no2)c1C1CCN(CC(=O)N2CCOCC2)CC1
C(CN1CCN(CC1)c1ccccn1)Cc1nc2ccccc2s1
CN1C2CCCC1CC(C2)Nc1ccccc1Br |TLB:0:1:7.9.8:3.5.4,10:8:1:3.5.4|
C(N1CCC2(CCN(C2)c2ccccc2)C1)c1ccccc1
C(Cc1ccccc1)N1CCC2(CCN(C2)c2ccccc2)C1
C(CN1CCC2(CCN(C2)c2ccccc2)C1)Cc1ccccc1
C(N1CCC2(CCN(Cc3ccccc3)C2)C1)c1ccccc1
C(Cc1ccccc1)N1CCC2(CCN(Cc3ccccc3)C2)C1
C(CN1CCC2(CCN(Cc3ccccc3)C2)C1)Cc1ccccc1
C(Cc1ccccc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
C(CN1CCC2(CCN(CCc3ccccc3)C2)C1)Cc1ccccc1
C(CN1CCC2(CCN(CCCc3ccccc3)C2)C1)Cc1ccccc1
N1c2ccccc2Sc2ccccc12
[O-][N+](=O)c1ccc(cc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
COc1ccc(cc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
CC(=O)c1ccc(cc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
N#Cc1ccc(cc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
Clc1ccc(CC(=O)N2CCC3(CCN(CCc4ccccc4)C3)C2)cc1Cl
COc1ccc(CC(=O)N2CCC3(CCN(CCc4ccccc4)C3)C2)cc1OC
O=C(N1CCC2(CCN(CCc3ccccc3)C2)C1)c1ccccc1
O=C(Cc1ccccc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
COc1ccc(CCN2CCC3(CCN(CCc4ccccc4)C3)C2)cc1OC
COC1Cc2ccccc2C2(CCC(CC2)N(C)CC2CCCCC2)O1 |(-5.33,4.62,;-4,3.85,;-4,2.31,;-5.33,1.54,;-5.33,0,;-6.67,-.77,;-6.67,-2.32,;-5.33,-3.08,;-4,-2.31,;-4,-.77,;-2.67,-0,;-1.33,.77,;0,-0,;0,-1.54,;-1.33,-2.31,;-2.67,-1.54,;1.34,-2.31,;1.34,-3.85,;2.67,-1.54,;4,-2.31,;5.34,-1.54,;6.67,-2.31,;6.67,-3.85,;5.34,-4.62,;4,-3.85,;-2.66,1.54,)|
C(N1CCC2(CC1)OCC(CO2)c1ccccc1)c1ccccc1
Oc1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(Cc2ccccc2)CC1
O=C(CN1CCC(Cc2ccccc2)CC1)N1CCN(CC1)c1ccccc1
O=C(CCN1CCC(Cc2ccccc2)CC1)N1CCN(CC1)c1ccccc1
Oc1ccc(cc1)N1CCN(CC1)C(=O)CCN1CCC(Cc2ccccc2)CC1
Oc1ccc(cc1)N1CCN(CC1)C(=O)CCN1CCC(Cc2ccc(F)cc2)CC1
Fc1ccc(CN2CCN(CC2)C(=O)c2cc3ccccc3s2)cc1
Fc1ccc(CN2CCN(CC2)C(=O)c2cc3ccccc3o2)cc1
Cc1ccc(o1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
[O-][N+](=O)c1ccc(s1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Fc1ccc(CN2CCN(CC2)C(=O)Cc2ccccc2Br)cc1
Fc1ccc(CN2CCN(CC2)C(=O)C(c2ccccc2)c2ccccc2)cc1
Oc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1
Oc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
C(C1CSC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
CC1(C)SCC(CN2CCC(Cc3ccccc3)CC2)S1
C(C1CSCS1)N1CCN(Cc2ccccc2)CC1
C(CN1CCC(Cc2ccccc2)CC1)Oc1ccccc1
C(COc1ccccc1)CN1CCC(Cc2ccccc2)CC1
OC(=O)c1cc(-c2ccc(cc2)C2CCCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
CCCN1CCN(CC1)c1ccc2CCCC(OCCCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(OC(=O)CCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(CCC(=O)OCC)C(=O)OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(CC)C(=O)OCc3ccccc3)c2c1
CCOC(=O)CN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CN(C1CCCc2ccc(cc12)N1CCN(CC1)C1CCCCC1)C(=O)OCc1ccccc1
CC(C)N1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CN(C1CCCc2ccc(cc12)N1CCN(C)CC1)C(=O)OCc1ccccc1
CN(C1CCCc2ccc(cc12)N1CCN(CCCO)CC1)C(=O)OCc1ccccc1
CN(C1CCCc2ccc(cc12)N1CCN(CC1)C1CCCC1)C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(OC\C=C\c3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(CCCO)C(=O)OCc3ccccc3)c2c1
CCCN(C1CCCc2ccc(cc12)N1CCN(CCC)CC1)C(=O)OCc1ccccc1
CCN(CC)C(=O)CCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CN(C1CCCc2ccc(cc12)N1CCN(CC1)C1CCC1)C(=O)OCc1ccccc1
CCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2C(CCCc2c1)N(C)C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1cccc2C(CCCc12)N(C)C(=O)OCc1ccccc1
COCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)CCc3ccccc3)c2c1
[H][C@]12C[C@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC)CC1 |r|
[H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC)CC1 |r|
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)\C=C\c3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)Cc3ccccc3)c2c1
O=C1CC2(CN(CCc3ccccc3)C2)CN1c1ccccc1
O=C1CC2(CN(CCCc3ccccc3)C2)CN1c1ccccc1
Cc1cccc(CCN2CC3(C2)CN(C(=O)C3)c2ccccc2)c1
Fc1cccc(CCN2CC3(C2)CN(C(=O)C3)c2ccccc2)c1
CC(Cc1ccccc1)N1CC2(C1)CN(C(=O)C2)c1ccccc1
O=C1CC2(CN(CCc3ccc4ccccc4c3)C2)CN1c1ccccc1
O=C1CC2(CN(CCC3CCCCC3)C2)CN1c1ccccc1
Cc1cccc(CCN2CC3(C2)CN(C(=O)C3)c2ccc(F)cc2)c1
CC(Cc1ccccc1)N1CC2(C1)CN(C(=O)C2)c1ccc(F)cc1
Fc1ccc(cc1)N1CC2(CN(CCC3CCCCC3)C2)CC1=O
Cc1ccc(cc1)N1CC2(CN(CCCc3ccccc3)C2)CC1=O
Cc1cccc(c1)N1CC2(CN(CCCc3ccccc3)C2)CC1=O
Fc1ccc(cc1)N1CC2(CN(CCCc3ccccc3)C2)CC1=O
O=C1CC2(CN(CCCc3ccccc3)C2)CN1Cc1ccccc1
Fc1ccccc1CCCN1CC2(C1)CN(C(=O)C2)c1ccccc1
Fc1cccc(CCCN2CC3(C2)CN(C(=O)C3)c2ccccc2)c1
Fc1ccc(CCCN2CC3(C2)CN(C(=O)C3)c2ccccc2)cc1
Cc1cccc(CCCN2CC3(C2)CN(C(=O)C3)c2ccccc2)c1
Cc1ccc(CCCN2CC3(C2)CN(C(=O)C3)c2ccccc2)cc1
CC1CCCN(CCCOc2ccc(cc2)-c2ccccc2)C1
CC1CCN(CCCOc2ccc(cc2)-c2ccccc2)CC1
C(COc1ccc(cc1)-c1ccccc1)CN1CCCCCC1
C(COc1ccc(cc1)-c1ccccc1)CN1CCCC1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCCC2)cc1
C(COc1ccc(Oc2ccccc2)cc1)CN1CCCCC1
C(COc1ccc(Nc2ccccc2)cc1)CN1CCCCC1
C(COc1ccc(Cc2ccccc2)cc1)CN1CCCCC1
C(CCN1CCCCC1)COc1ccc(cc1)-c1ccccc1
C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCC1
C(CCCN1CCCCC1)CCOc1ccc(cc1)-c1ccccc1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCC(CC2)c2ccncc2)cc1
C(COc1ccc(Oc2ccccc2)cc1)CN1CCC(CC1)c1ccncc1
C(COc1ccc(Nc2ccccc2)cc1)CN1CCC(CC1)c1ccncc1
C(COc1ccc(Cc2ccccc2)cc1)CN1CCC(CC1)c1ccncc1
CC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2cnccn2)cc1
Clc1ccc(CCCOCCCN2CCCCC2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCC(CC2)c2ccncc2)cc1
C(COc1ccc(cc1)-c1ccccc1)CN1CCCCC1
C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C#C)c2c(NCc3ccccc3)ncnc12 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(c2c(NCc3ccccc3)ncnc12)C(F)(F)F |r|
C[C@H](Nc1ncnc2n(cc(c12)C(F)(F)F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(c2c(NCc3ccc(Cl)cc3)ncnc12)C(F)(F)F |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(c2c(NCc3ccccc3Cl)ncnc12)C(F)(F)F |r|
C(C#Cc1ccc2[nH]ncc2c1)N1CCC(Cc2ccccc2)CC1
Fc1ccc(CC2CCN(CC#Cc3ccc4[nH]ncc4c3)CC2)cc1
Fc1ccccc1CC1CCN(CC#Cc2ccc3[nH]ncc3c2)CC1
C(C#Cc1ccc2cn[nH]c2c1)N1CCC(Cc2ccccc2)CC1
Fc1ccc(CC2CCN(CC#Cc3ccc4cn[nH]c4c3)CC2)cc1
Cn1ncc2cc(ccc12)C#CCN1CCC(Cc2ccccc2)CC1
Cn1ncc2cc(ccc12)C#CCN1CCC(Cc2ccc(F)cc2)CC1
Cn1cc2cc(ccc2n1)C#CCN1CCC(Cc2ccccc2)CC1
Cn1cc2cc(ccc2n1)C#CCN1CCC(Cc2ccc(F)cc2)CC1
O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1
Fc1ccc(CC2CCN(CCC(=O)c3ccc4[nH]ncc4c3)CC2)cc1
Fc1ccccc1CC1CCN(CCC(=O)c2ccc3[nH]ncc3c2)CC1
OC(CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1
OC(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2[nH]ncc2c1
OC(CCN1CCC(Cc2ccccc2F)CC1)c1ccc2[nH]ncc2c1
C(\C=C\c1ccc2[nH]ncc2c1)N1CCC(Cc2ccccc2)CC1
Fc1ccc(CC2CCN(C\C=C\c3ccc4[nH]ncc4c3)CC2)cc1
C(\C=C/c1ccc2[nH]ncc2c1)N1CCC(Cc2ccccc2)CC1
Fc1ccc(CC2CCN(C\C=C/c3ccc4[nH]ncc4c3)CC2)cc1
C(CN1CCC(Cc2ccccc2)CC1)Cc1ccc2[nH]ncc2c1
Fc1ccc(CC2CCN(CCCc3ccc4[nH]ncc4c3)CC2)cc1
Oc1ccc(cc1)C#CCN1CCC(Cc2ccc(F)cc2)CC1
O[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1 |r|
O[C@H](CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1 |r|
CCC(CN(C(=O)CC)c1ccccn1)N1CCC(CC1)c1ccccc1
CCC(=O)N(CC(C)N1CCN(CC1)c1ccccc1)c1ccccn1
[H][C@]1(CC[C@@H](C)C[C@H]1O)[C@@](C)(O)CNCCCCc1ccccc1 |r|
[H][C@]1(CC[C@@H](C)C[C@H]1O)[C@](C)(O)CNCCCCc1ccccc1 |r|
[H][C@]1(CC[C@@H](C)C[C@@H]1O)[C@@](C)(O)CNCCCCc1ccccc1 |r|
[H][C@]1(CC[C@@H](C)C[C@@H]1O)[C@](C)(O)CNCCCCc1ccccc1 |r|
[H][C@]1(CC[C@@H](C)C[C@H]1O)[C@@](C)(O)CN1CCC(Cc2ccccc2)CC1 |r|
[H][C@]1(CC[C@@H](C)C[C@H]1O)[C@](C)(O)CN1CCC(Cc2ccccc2)CC1 |r|
[H][C@]1(CC[C@@H](C)C[C@@H]1O)[C@@](C)(O)CN1CCC(Cc2ccccc2)CC1 |r|
[H][C@]1(CC[C@@H](C)C[C@@H]1O)[C@](C)(O)CN1CCC(Cc2ccccc2)CC1 |r|
[H][C@]1(CC[C@@H](C)C[C@H]1O)[C@@](C)(O)CN1CCC(Cc2ccc(OC)cc2)CC1 |r|
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@](C)(CNCCCCc1ccccc1)OCO2 |r|
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@@](C)(CNCCCCc1ccccc1)OCO2 |r|
[H][C@]12C[C@H](C)CC[C@@]1([H])[C@](C)(CNCCCCc1ccccc1)OCO2 |r|
[H][C@]12C[C@H](C)CC[C@@]1([H])[C@@](C)(CNCCCCc1ccccc1)OCO2 |r|
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@](C)(CN1CCC(Cc3ccccc3)CC1)OCO2 |r|
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@@](C)(CN1CCC(Cc3ccccc3)CC1)OCO2 |r|
[H][C@]12C[C@H](C)CC[C@@]1([H])[C@](C)(CN1CCC(Cc3ccccc3)CC1)OCO2 |r|
[H][C@]12C[C@H](C)CC[C@@]1([H])[C@@](C)(CN1CCC(Cc3ccccc3)CC1)OCO2 |r|
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@](C)(CN1CCC(Cc3ccccc3)CC1)OC(C)(C)O2 |r|
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@@](C)(CN1CCC(Cc3ccccc3)CC1)OC(C)(C)O2 |r|
[H][C@]12CN(CCCCc3ccccc3)C[C@](C)(O1)[C@]1([H])CC[C@@H](C)C[C@@]1([H])O2 |r|
[H][C@@]12CN(CCCCc3ccccc3)C[C@@](C)(O1)[C@]1([H])CC[C@@H](C)C[C@@]1([H])O2 |r|
[H][C@]12CN(CCCCc3ccccc3)C[C@](C)(O1)[C@]1([H])CC[C@@H](C)C[C@]1([H])O2 |r|
[H][C@@]12CN(CCCCc3ccccc3)C[C@@](C)(O1)[C@]1([H])CC[C@@H](C)C[C@]1([H])O2 |r|
CC(C)(C)Cc1c(sc(N)c1C(=O)c1ccc(Cl)cc1)C#Cc1ccc(F)c(F)c1
CC(c1cccs1)n1cnc2sc3c(c2c1=O)CCNC3
O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CNCC3
CC(c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CCNC3
O=c1c2c3c(sc2ncn1CC1CC1)CNCC3
O=c1c2c3c(sc2ncn1-c1ccc(F)cc1)CNCC3
C[C@H](Cc1ccccc1)n1cnc2sc3c(c2c1=O)CCNC3
C[C@H](c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CCNC3
C[C@@H](c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CCNC3
C[C@H](c1ccccc1)n1cnc2sc3c(c2c1=O)CCNC3
C[C@@H](c1ccccc1)n1cnc2sc3c(c2c1=O)CCNC3
CC[C@H](c1ccccc1)n1cnc2sc3c(c2c1=O)CCNC3
CC[C@@H](c1ccccc1)n1cnc2sc3c(c2c1=O)CCNC3
O=c1c2c3c(sc2ncn1[C@H](c1ccccc1)C(F)(F)F)CNCC3
O=c1c2c3c(sc2ncn1[C@@H](c1ccccc1)C(F)(F)F)CNCC3
CC(C)[C@H](c1ccccc1)n1cnc2sc3c(c2c1=O)CCNC3
C[C@H](c1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCNC3
C[C@H](c1ccccc1F)n1cnc2sc3c(c2c1=O)CCNC3
C[C@H](c1ccc(C#N)cc1)n1cnc2sc3c(c2c1=O)CCNC3
COc1cccc([C@@H](C)n2cnc3sc4c(c3c2=O)CCNC4)c1
C[C@H](c1ccc(F)cc1F)n1cnc2sc3c(c2c1=O)CCNC3
C[C@H](c1cc(F)cc(F)c1)n1cnc2sc3c(c2c1=O)CCNC3
C[C@H](c1ccc(F)c(F)c1)n1cnc2sc3c(c2c1=O)CCNC3
C[C@@H](c1ccc(F)c(F)c1)n1cnc2sc3c(c2c1=O)CCNC3
C[C@H](Cc1ccccc1)Oc1ncnc2sc3c(c12)CCNC3
CCN1CCc2c(sc3ncn([C@H](C)c4ccccc4)c(=O)c23)C1
CCN1CCc2c(sc3ncn([C@@H](C)c4ccccc4)c(=O)c23)C1
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
CC(C)Cn1cnc2sc3c(c2c1=O)CCNC3
CC1=CC[C@@H]2C[C@H]1[C@H](c1cccc3ncccc13)NC2(C)C
CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(F)(F)F)cc1)NC2(C)C
CC1=CC[C@@H]2C[C@H]1[C@H](c1cc(F)cc(F)c1)NC2(C)C
CC(=O)N1CCCC(N2C(=O)c3cccc(N)c3C2=O)C1
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(C4CCC4)CC3)ccc12
O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(N3CCN(C4CCC4)CC3)ccc12
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCO)CC3)ccc12
O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(N3CCN(CCO)CC3)ccc12
COCCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
COCCN1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(N3CCN(CCCF)CC3)ccc12
CN1CC(CN2CCN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)CC2)C1
CN(C)CCC(=O)N1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CN1CCC(C(=O)N2CCN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)CC2)CC1
O=C(OCc1ccccc1F)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1cccc(F)c1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1ccc(F)cc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1ccc(Cl)cc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1cc(Cl)cc(Cl)c1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(/C=C/c1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(CCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCCN(CCCF)CC3)ccc12
CCCCN1C[C@@H]2CN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)C[C@@H]2C1
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3C4CCC3CN(CCCF)C4)ccc12
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CC4CCC(C3)N4CCCF)ccc12
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3C4CC3CN(CCCF)C4)ccc12
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CC4(CCN(CCCF)CC4)C3)ccc12
CN(C)CCOC1CN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)C1
CN(C)CCCOC1CN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)C1
CN(C)C1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CN(C)CCOC1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
COCCCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CCN(CC)C(=O)CCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CNCCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CN(C)CCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CNCCC(=O)N1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CN1CC(C(=O)N2CCN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)CC2)C1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C