7066 SMILES Strings for Sodium-dependent dopamine transporter

Compound Name
SMILES String
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O[C@@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 |r|
O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 |r|
O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 |r|
O[C@@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 |r|
C[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
C[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
N[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
N[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
CO[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
CO[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
F[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
F[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccc(F)cc1
O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CCC(=C)c2ccccc2)CC1)c1ccc(F)cc1
C=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
CC(O)(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CC(O)(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CC(=O)Cc2ccccc2)CC1)c1ccc(F)cc1
O=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CC(=C)Cc2ccccc2)CC1)c1ccc(F)cc1
C=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
CC(O)(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
CC(O)(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CC(=O)c2ccccc2)CC1)c1ccc(F)cc1
O=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
FC[C@H](Cc1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
FC[C@@H](Cc1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
Fc1ccc(cc1)C(OCCN1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1 |t:17|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C |TLB:18:17:6.7:10.9.4|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(F)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Br)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(Br)c1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:28:27:15.16:19.18.13|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1 |TLB:0:1:4.3:7.8.6|
COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:30:29:17.18:21.20.15|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(F)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(Br)c1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:28:27:15.16:19.18.13|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1 |TLB:0:1:4.3:7.8.6|
COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:30:29:17.18:21.20.15|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C |@@:20|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Br)cc1 |TLB:0:1:4.3:7.8.6|
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
COc1ccc(F)cc1CCC1CCC(CCN)O1
COc1ccc(F)cc1CCCC1CCC(CCN)O1
COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11|
COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12 |c:24,t:11|
COc1ccc(F)c(CCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1 |c:23,27|
COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1 |c:24,28|
CNCCC1CCC(CCc2cc(F)ccc2OC)O1
NCCc1c[nH]c2ccc(O)cc12
C[C@@H](Cc1ccccc1)N
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1
c1cc(c(cc1CCN)O)O
CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r|
c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O
C[C@@H](Cc1ccccc1)NC
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1
C[n+]1ccc(cc1)-c1ccccc1
CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3
NCC(O)c1ccc(O)c(O)c1
CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)|
CNCCC(Oc1ccccc1OC)c1ccccc1
CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
COCCCCC(=NOCCN)c1ccc(Cl)cc1 |w:7.7|
COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F
C(Cc1c[nH]c2ccccc12)C1CCNCC1
CSc1ccc(cc1)C1CN2CCCC2c2ccccc12
CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 |r|
CSc1ccc(cc1)[C@H]1CN2CCCC2c2ccccc12 |r|
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
CNCCCN1c2ccccc2CCc3c1cccc3
CN(C)CCCN1c2ccccc2CCc3c1cccc3
CN1CCN2c3ccccc3Cc4ccccc4[C@H]2C1
CN1CCN2C(C1)c1ccccc1Cc1cccnc21
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
CNCCC(Oc1ccccc1C)c1ccccc1
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CN[C@@H]1CC[C@@H](c2ccccc2)c2ccccc12
CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CN[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CNC\C=C(\c1ccc(Br)cc1)c1cccnc1
CN1CCC[C@H]1c1cc(C)no1 |r|
CCn1cc(C(O)=O)c(=O)c2ccc(Cc3ccccc3)nc12
CC(C)(C)N1CCC(CC1)(c1ccccc1)c1ccccc1
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
COc1ccc2c(c1)[nH]c3c2CCN4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)F)C(=O)OC
CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r|
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
C(Oc1cccnc1)[C@@H]1CCN1 |r|
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
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
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
COC(=O)[C@@H]1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C\C=C\I |THB:11:10:19:6.7,2:4:19:6.7|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OC
Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
CC(CC1c2ccccc2CCc2ccccc12)CN(C)C
CNCCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|
CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC
CN(C)CCCn1c2CCCCCCc2c2ccccc12
CC(C)NNC(=O)c1ccncc1
CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
CNCCCC12CCC(c3ccccc13)c1ccccc21 |TLB:10:9:6.7:20.15,16:15:6.7:14.9,THB:13:14:6.7:20.15,19:20:6.7:14.9|
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F
CNCC(O)CC12CCC(c3ccccc13)c1ccccc21 |TLB:17:16:7.8:10.15,11:10:7.8:16.21,THB:20:21:7.8:10.15,(4.63,-9.46,;4.63,-7.92,;3.3,-7.14,;3.31,-5.6,;4.82,-5.29,;1.98,-4.82,;1.99,-3.28,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;3.1,-2.51,;4.26,-1.49,;5.72,-1.98,;6.02,-3.49,;4.86,-4.51,;3.4,-4.02,;.22,-2.54,;-1.21,-1.97,;-2.42,-2.92,;-2.2,-4.44,;-.77,-5.02,;.44,-4.07,)|
NNCCc1ccccc1
CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13|
c1ccc(cc1)[C@@H]2C[C@H]2N
CC(CN(C)C)CN1c2ccccc2CCc2ccccc12
CCOc1ccccc1OCC1CNCCO1
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(O)=O |TLB:9:7:1:4.3,THB:0:1:7.6.8:4.3,16:6:1:4.3|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2 |TLB:2:4:18:6.7,THB:11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |THB:11:10:19:6.7,2:4:19:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C |r,TLB:20:19:6.7:4.10.9|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:9:7:1:4.3,THB:16:6:1:4.3|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:21:20:6.12.11:8.9,THB:4:6:20:8.9,13:12:20:8.9|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:9:7:1:4.3,THB:16:6:1:4.3|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:21:20:6.12.11:8.9,THB:4:6:20:8.9,13:12:20:8.9|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)N1CCCC1 |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)N1CCCC1 |r,TLB:0:1:7.8.6:3.4|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C |TLB:19:18:4.10.9:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:2:4:18:6.7,THB:11:10:18:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)N2C |TLB:2:4:18:6.7,THB:11:10:18:6.7|
Fc1cccc2OC3CNCC3Oc12
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
[H]C12CCC([H])(C(C(C1)c1ccc(Cl)cc1)C(=O)OC)N2CCF |TLB:16:6:20:3.2|
CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2C |THB:21:20:4.10.9:6.7,2:4:20:6.7,11:10:20:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7|
NC1=NCC(O1)c1ccccc1 |t:1|
CC(C)(N)Cc1ccc(Cl)cc1
C[NH2+][C@@H](C)[C@H](O)c1ccccc1
CCNC(C)Cc1cccc(c1)C(F)(F)F
CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
C[C@@H](Cc1ccc2c(c1)OCO2)NC
CC(C)(N)Cc1ccccc1
c1cc(ccc1CCN)O
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
CCOc1ccccc1O[C@@H](c2ccccc2)[C@@H]3CNCCO3
COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1
CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1)c1cccc(Cl)c1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1C)c1cccc(Cl)c1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(N)cc1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(F)cc1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(C)cc1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1C)c1ccc(C)cc1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1 |r|
CCCCN1CCCC[C@H]1[C@H](C(=O)OC)c1ccccc1 |r|
COC(=O)[C@@H]([C@@H]1CCCCN1C)c1ccccc1 |r|
CCCCN1CCCC[C@H]1[C@H](CO)c1ccccc1 |r|
CCCCN1CCCC[C@H]1[C@H](COC)c1ccccc1 |r|
COC(=O)[C@H](c1ccccc1)[C@H]2CCCCN2
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
NC(CSSCC(N)C(O)=O)C(O)=O
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCSC1=O |r|
CSCC[C@H](C(=O)O)N
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
C(CS)[C@@H](C(=O)O)N
C([C@H](C(=O)O)N)S(=O)(=O)O
C([C@@H](C(=O)O)N)S
NC(CS(O)=O)C(O)=O
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@H]1CCSC1=O |r|
CN1CCC([C@H](C1)C(O)=O)c1ccc(Cl)cc1 |r|
C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC
CN1CCC([C@@H](C1)C(O)=O)c1ccc(Cl)cc1 |r|
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
CC(N)Cc1ccc2OCOc2c1
C[C@@H](N)Cc1ccc2OCOc2c1 |r|
C[C@H](N)Cc1ccc2OCOc2c1 |r|
C[C@@H](Cc1ccc2c(c1)OCO2)NC
CN[C@H](C)Cc1ccc2OCOc2c1 |r|
CC(N)Cc1cccc(c1)C(F)(F)F
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CC(N)C(=O)c1ccccc1
CNC(C)C(O)c1ccccc1
CNC(C)C(=O)c1ccccc1
CC(N)C(O)c1ccccc1
CSc1nc(c(c(n1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2
CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl
CN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r|
C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O
CN1[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 |r|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(cc1)C(F)(F)F |THB:9:7:1:3.4|
COC(=O)C1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |r,THB:2:4:6.7:20|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
COC(=O)C(C1CCCCN1)c1ccccc1
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2C=O)c1ccc(F)cc1 |TLB:8:9:16:12.13|
CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,THB:19:18:4.10.9:6.7|
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Fc1cccc(OC(C2CNCCO2)c2ccccc2)c1F
C1Cc2cccc(OC(C3CNCCO3)c3ccccc3)c2O1
Fc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Cc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Clc1cccc(OC(C2CNCCO2)c2ccccc2)c1Cl
COc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
COc1cc(Cl)ccc1OC(C1CNCCO1)c1cccc(F)c1
COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccc(C)cc1
COc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
CCOc1c(Cl)cccc1OC(C1CNCCO1)c1ccccc1
CCOc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Cc1ccc(cc1)C1CNCc2cc(ccc12)-c1cccnn1
Fc1cc2C(CNCc2cc1-c1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1
CN1CC(c2ccccc2C1)c1cccc2sccc12
CN1CC(c2ccc3ccccc3c2)c2c(C)cccc2C1
CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cnccn1
CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCOCC1
CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCCCC1
CN1Cc2ccccc2C(C1Cl)c1ccc2[nH]ncc2c1
CN1CC(c2ccc3cnsc3c2)c2ccccc2C1
CN1CC(c2ccc3ccccc3c2)c2ccc(cc2C1)-c1cccnn1
CC1NOC(C)C1c1ccc2C(CN(C)Cc2c1)c1ccc2ccccc2c1
CN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCCN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CCCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCCCN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CCCCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCCCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CC(C)CN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CC(C)N1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CC(C)N1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CC(C)N1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)C12CC1CN(C2)C1CC1
CC(C)(C)N1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CN1CC2CC2(C1)c1ccc(F)c(F)c1
Fc1ccc(cc1Cl)C12CC1CNC2
CN1CC2CC2(C1)c1ccc(F)c(Cl)c1
CN1CC2CC2(C1)c1ccc(F)c(C)c1
CN1CC2CC2(C1)c1ccc(C)c(F)c1
CN1CC2CC2(C1)c1ccc2ccccc2c1
CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1
FC(F)(F)c1ccc(nn1)-c1ccc2C(CCNc2c1)c1ccc(Cl)cc1
Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)cc1
CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1cnccn1
CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc(nn1)C(F)(F)F
FC(F)(F)c1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
FC(F)Oc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc(N)nn1
Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1cccc(c1)C#N
CS(=O)(=O)c1ccc(cc1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ccccc1=O
Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ncccc1=O
CS(=O)(=O)c1cccc(c1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Cc1noc(C)c1-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
NC(=O)c1ccc(cc1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Fc1cc2C(CNCc2cc1-c1ccc(nn1)C(F)(F)F)c1ccc(Cl)c(Cl)c1
NC(=O)c1ccc(cc1)-c1cc2CNCC(c3ccc(Cl)cc3)c2cc1F
FC(F)Oc1ccc(nn1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1cccnn1
Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
CC1(C)NCC(c2ccc(Cl)cc2)c2ccc(cc12)-c1cnc(cn1)C(F)(F)F
Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1ccc2ncnn2c1
Fc1cc2C(CNCc2cc1-c1ccc2ncnn2c1)c1ccc(Cl)c(Cl)c1
CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc2ncnn2c1
COc1ccc2c(CN3CCC2(C3)c2ccc(Cl)cc2)c1
Oc1ccc2c(CN3CCC2(C3)c2ccc(Cl)cc2)c1
Clc1ccc(cc1)C12CCN(C1)Cc1cc(ccc21)-c1ccc2ncnn2c1
FC(F)(F)c1nnc2ccc(cn12)-c1ccc2c(CN3CCC2(C3)c2ccc(Cl)cc2)c1
FC(F)(F)c1ccc(nn1)-c1ccc2c(CN3CCC2(C3)c2ccc(Cl)cc2)c1
FC(F)Oc1ccc(nn1)-c1ccc2c(CN3CCC2(C3)c2ccc(Cl)cc2)c1
Oc1ccc(nn1)-c1ccc2c(CN3CCC2(C3)c2ccc(Cl)cc2)c1
Clc1ccc(cc1)C12CCN(C1)Cc1cc(ccc21)-c1ccc(cc1)[N+]#[C-]
Clc1ccc(cc1)C12CCN(C1)Cc1cc(ccc21)-c1ccc(CS(=O)=O)cc1
Clc1ccc(cc1Cl)C12CCN(C1)Cc1cc(ccc21)-c1ccc2ncnn2c1
Clc1ccc(cc1Cl)C12CCN(C1)Cc1cc(ccc21)-c1ccc2[nH]c(=O)oc2c1
COc1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |TLB:4:5:9.10:12.13,(-3.69,-5.38,;-3.69,-3.84,;-2.35,-3.07,;-2.35,-1.53,;-1.02,-.76,;.31,-1.53,;.31,-3.07,;1.52,-4.03,;3.02,-3.69,;3.69,-2.3,;3.02,-.91,;1.52,-.57,;1.52,-2.15,;3.02,-2.15,;1.12,.92,;2.21,2.01,;1.81,3.49,;.32,3.89,;-.08,5.38,;-.77,2.8,;-.37,1.32,;-1.02,-3.84,)|
Oc1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |TLB:3:4:8.9:11.12,(-3.69,-4.52,;-2.35,-3.75,;-2.35,-2.21,;-1.02,-1.44,;.31,-2.21,;.31,-3.75,;1.52,-4.71,;3.02,-4.36,;3.69,-2.98,;3.02,-1.59,;1.52,-1.24,;1.52,-2.82,;3.02,-2.82,;1.12,.24,;2.21,1.33,;1.81,2.82,;.32,3.22,;-.08,4.71,;-.77,2.13,;-.37,.64,;-1.02,-4.52,)|
FC(F)Oc1ccc(nn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-6.87,-4.24,;-5.54,-3.47,;-5.54,-1.93,;-4.2,-4.24,;-2.87,-3.47,;-1.49,-4.21,;-.15,-3.44,;-.15,-1.9,;-1.49,-1.13,;-2.82,-1.9,;1.18,-1.13,;1.18,.41,;2.51,1.18,;3.85,.41,;3.85,-1.13,;5.05,-2.09,;6.55,-1.75,;7.22,-.36,;6.55,1.02,;5.05,1.37,;4.65,-.12,;6.19,-.12,;4.65,2.85,;5.74,3.94,;5.34,5.43,;3.86,5.83,;3.46,7.32,;2.77,4.74,;3.17,3.25,;2.51,-1.9,)|
Cc1ccc(nn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-5.69,-5.77,;-4.35,-5,;-3.02,-5.77,;-1.69,-5,;-1.69,-3.46,;-3.02,-2.69,;-4.35,-3.46,;-.35,-2.69,;-.35,-1.15,;.98,-.38,;2.31,-1.15,;2.31,-2.69,;3.52,-3.65,;5.02,-3.3,;5.69,-1.92,;5.02,-.53,;3.52,-.18,;3.12,-1.67,;4.66,-1.67,;3.12,1.3,;4.21,2.39,;3.81,3.88,;2.32,4.28,;1.92,5.77,;1.23,3.19,;1.63,1.7,;.98,-3.46,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-c1cncnc1 |(1.26,5.77,;1.66,4.28,;3.14,3.88,;3.54,2.39,;2.45,1.3,;.97,1.7,;.57,3.19,;2.85,-.18,;4.35,-.53,;5.02,-1.92,;4.35,-3.3,;3.99,-1.67,;2.45,-1.67,;2.85,-3.65,;1.65,-2.69,;.31,-3.46,;-1.02,-2.69,;-1.02,-1.15,;.31,-.38,;1.65,-1.15,;-2.35,-3.46,;-2.35,-5,;-3.69,-5.77,;-5.02,-5,;-5.02,-3.46,;-3.69,-2.69,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-c1cnccn1 |(1.26,5.77,;1.66,4.28,;3.14,3.88,;3.54,2.39,;2.45,1.3,;.97,1.7,;.57,3.19,;2.85,-.18,;4.35,-.53,;5.02,-1.92,;4.35,-3.3,;3.99,-1.67,;2.45,-1.67,;2.85,-3.65,;1.65,-2.69,;.31,-3.46,;-1.02,-2.69,;-1.02,-1.15,;.31,-.38,;1.65,-1.15,;-2.35,-3.46,;-2.35,-5,;-3.69,-5.77,;-5.02,-5,;-5.02,-3.46,;-3.69,-2.69,)|
Nc1cnc(cn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-5.69,-5.77,;-4.35,-5,;-4.35,-3.46,;-3.02,-2.69,;-1.69,-3.46,;-1.69,-5,;-3.02,-5.77,;-.35,-2.69,;-.35,-1.15,;.98,-.38,;2.31,-1.15,;2.31,-2.69,;3.52,-3.65,;5.02,-3.3,;5.69,-1.92,;5.02,-.53,;3.52,-.18,;3.12,-1.67,;4.66,-1.67,;3.12,1.3,;4.21,2.39,;3.81,3.88,;2.32,4.28,;1.92,5.77,;1.23,3.19,;1.63,1.7,;.98,-3.46,)|
Cc1nnc2ccc(cn12)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-6.07,-1.65,;-5.3,-2.98,;-6.21,-4.23,;-5.3,-5.47,;-3.84,-5,;-2.5,-5.77,;-1.17,-5,;-1.17,-3.46,;-2.5,-2.69,;-3.84,-3.46,;.17,-2.69,;.17,-1.15,;1.5,-.38,;2.83,-1.15,;2.83,-2.69,;4.04,-3.65,;5.54,-3.3,;6.21,-1.92,;5.54,-.53,;4.04,-.18,;3.64,-1.67,;5.18,-1.67,;3.64,1.3,;4.73,2.39,;4.33,3.88,;2.84,4.28,;2.44,5.77,;1.75,3.19,;2.15,1.7,;1.5,-3.46,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-c1cnc2ccccc2n1 |(2.59,5.77,;2.99,4.28,;4.48,3.88,;4.88,2.39,;3.79,1.3,;2.3,1.7,;1.9,3.19,;4.19,-.18,;5.69,-.53,;6.35,-1.92,;5.69,-3.3,;5.33,-1.67,;3.79,-1.67,;4.19,-3.65,;2.98,-2.69,;1.65,-3.46,;.31,-2.69,;.31,-1.15,;1.65,-.38,;2.98,-1.15,;-1.02,-3.46,;-1.02,-5,;-2.35,-5.77,;-3.69,-5,;-5.02,-5.77,;-6.35,-5,;-6.35,-3.46,;-5.02,-2.69,;-3.69,-3.46,;-2.35,-2.69,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)C1=CC2OC(=O)NC2C=C1 |c:33,t:24,(3.21,5.77,;3.61,4.28,;5.1,3.88,;5.5,2.39,;4.41,1.3,;2.92,1.7,;2.52,3.19,;4.81,-.18,;6.31,-.53,;6.98,-1.92,;6.31,-3.3,;5.95,-1.67,;4.41,-1.67,;4.81,-3.65,;3.6,-2.69,;2.27,-3.46,;.94,-2.69,;.94,-1.15,;2.27,-.38,;3.6,-1.15,;-.4,-3.46,;-1.73,-2.69,;-3.07,-3.46,;-4.53,-2.98,;-5.44,-4.23,;-6.98,-4.23,;-4.53,-5.47,;-3.07,-5,;-1.73,-5.77,;-.4,-5,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-n1nc2ccccn2c1=O |(2.3,6.2,;2.7,4.72,;4.18,4.32,;4.58,2.83,;3.49,1.74,;2.01,2.14,;1.61,3.63,;3.89,.25,;5.39,-.09,;6.06,-1.48,;5.39,-2.86,;5.03,-1.23,;3.49,-1.23,;3.89,-3.21,;2.69,-2.25,;1.35,-3.02,;.02,-2.25,;.02,-.71,;1.35,.06,;2.69,-.71,;-1.31,-3.02,;-2.72,-2.39,;-3.75,-3.54,;-5.29,-3.54,;-6.06,-4.87,;-5.29,-6.2,;-3.75,-6.2,;-2.98,-4.87,;-1.47,-4.55,;-.39,-5.64,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-n1ccccc1=O |(1.26,5.77,;1.66,4.28,;3.14,3.88,;3.54,2.39,;2.45,1.3,;.97,1.7,;.57,3.19,;2.85,-.18,;4.35,-.53,;5.02,-1.92,;4.35,-3.3,;3.99,-1.67,;2.45,-1.67,;2.85,-3.65,;1.65,-2.69,;.31,-3.46,;-1.02,-2.69,;-1.02,-1.15,;.31,-.38,;1.65,-1.15,;-2.35,-3.46,;-2.35,-5,;-3.69,-5.77,;-5.02,-5,;-5.02,-3.46,;-3.69,-2.69,;-3.69,-1.15,)|
Cc1nnc(s1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-5.54,-3.6,;-4.21,-4.37,;-3.3,-5.62,;-1.84,-5.14,;-1.84,-3.6,;-3.3,-3.13,;-.5,-2.83,;-.5,-1.29,;.83,-.52,;2.17,-1.29,;2.17,-2.83,;3.37,-3.79,;4.87,-3.45,;5.54,-2.06,;4.87,-.67,;3.37,-.33,;2.97,-1.82,;4.51,-1.82,;2.97,1.16,;4.06,2.24,;3.66,3.73,;2.17,4.13,;1.78,5.62,;1.08,3.04,;1.48,1.55,;.83,-3.6,)|
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-6.35,-5.87,;-5.02,-5.1,;-5.79,-3.76,;-4.25,-6.43,;-3.69,-4.33,;-3.69,-2.79,;-2.35,-2.02,;-1.02,-2.79,;-1.02,-4.33,;-2.35,-5.1,;.31,-2.02,;.31,-.48,;1.65,.29,;2.98,-.48,;2.98,-2.02,;4.19,-2.98,;5.69,-2.64,;6.35,-1.25,;5.69,.14,;4.19,.48,;3.79,-1.01,;5.33,-1.01,;3.79,1.97,;4.88,3.06,;4.48,4.55,;2.99,4.94,;2.59,6.43,;1.9,3.86,;2.3,2.37,;1.65,-2.79,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-c1cccc(c1)[N+]#[C-] |(2.59,5.77,;2.99,4.28,;4.48,3.88,;4.88,2.39,;3.79,1.3,;2.3,1.7,;1.9,3.19,;4.19,-.18,;5.69,-.53,;6.35,-1.92,;5.69,-3.3,;5.33,-1.67,;3.79,-1.67,;4.19,-3.65,;2.98,-2.69,;1.65,-3.46,;.31,-2.69,;.31,-1.15,;1.65,-.38,;2.98,-1.15,;-1.02,-3.46,;-1.02,-5,;-2.35,-5.77,;-3.69,-5,;-3.74,-3.43,;-2.35,-2.69,;-5.07,-2.66,;-6.4,-1.89,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)N1CCOCC1 |(5.34,-2.61,;5.74,-4.1,;7.22,-4.5,;7.62,-5.99,;6.53,-7.08,;5.05,-6.68,;4.65,-5.19,;6.93,-8.56,;8.43,-8.91,;9.1,-10.29,;8.43,-11.68,;8.07,-10.05,;6.53,-10.05,;6.93,-12.03,;5.73,-11.06,;4.39,-11.83,;3.06,-11.06,;3.06,-9.52,;4.39,-8.75,;5.73,-9.52,;1.73,-11.83,;1.73,-13.37,;.39,-14.14,;-.94,-13.37,;-.94,-11.83,;.39,-11.06,)|
C1CN(CCO1)c1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)N1CCOCC1 |(6.03,-.04,;6.43,-1.53,;5.34,-2.61,;3.85,-2.22,;3.45,-.73,;4.54,.36,;5.74,-4.1,;7.22,-4.5,;7.62,-5.99,;6.53,-7.08,;5.05,-6.68,;4.65,-5.19,;6.93,-8.56,;8.43,-8.91,;9.1,-10.29,;8.43,-11.68,;8.07,-10.05,;6.53,-10.05,;6.93,-12.03,;5.73,-11.06,;4.39,-11.83,;3.06,-11.06,;3.06,-9.52,;4.39,-8.75,;5.73,-9.52,;1.73,-11.83,;1.73,-13.37,;.39,-14.14,;-.94,-13.37,;-.94,-11.83,;.39,-11.06,)|
CCS(=O)(=O)N1CCN(CC1)c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-3.61,-11.83,;-3.61,-13.37,;-2.27,-14.14,;-3.36,-15.23,;-1.18,-15.23,;-.94,-13.37,;.39,-14.14,;1.73,-13.37,;1.73,-11.83,;.39,-11.06,;-.94,-11.83,;3.06,-11.06,;3.06,-9.52,;4.39,-8.75,;5.73,-9.52,;5.73,-11.06,;6.93,-12.03,;8.43,-11.68,;9.1,-10.29,;8.43,-8.91,;6.93,-8.56,;6.53,-10.05,;8.07,-10.05,;6.53,-7.08,;7.62,-5.99,;7.22,-4.5,;5.74,-4.1,;5.34,-2.61,;4.65,-5.19,;5.05,-6.68,;4.39,-11.83,)|
CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)N1CCN(CC1)S(=O)(=O)CC |(4.83,4.42,;5.23,2.94,;4.14,1.85,;3.05,2.94,;2.81,1.08,;4.54,.36,;3.45,-.73,;3.85,-2.22,;5.34,-2.61,;6.43,-1.53,;6.03,-.04,;5.74,-4.1,;7.22,-4.5,;7.62,-5.99,;6.53,-7.08,;5.05,-6.68,;4.65,-5.19,;6.93,-8.56,;8.43,-8.91,;9.1,-10.29,;8.43,-11.68,;8.07,-10.05,;6.53,-10.05,;6.93,-12.03,;5.73,-11.06,;4.39,-11.83,;3.06,-11.06,;3.06,-9.52,;4.39,-8.75,;5.73,-9.52,;1.73,-11.83,;1.73,-13.37,;.39,-14.14,;-.94,-13.37,;-.94,-11.83,;.39,-11.06,;-2.27,-14.14,;-3.36,-15.23,;-1.18,-15.23,;-3.61,-13.37,;-3.61,-11.83,)|
FC(F)(F)c1ccc(Oc2ccc3c(CN4CCC3(CC4)c3ccc(Cl)cc3)c2)nn1 |(-8.07,-2.09,;-6.59,-2.48,;-7.67,-3.57,;-6.98,-1,;-5.1,-2.88,;-4.7,-4.37,;-3.21,-4.77,;-2.12,-3.68,;-.79,-4.45,;.54,-3.68,;.54,-2.14,;1.88,-1.37,;3.21,-2.14,;3.21,-3.68,;4.42,-4.64,;5.92,-4.3,;6.59,-2.91,;5.92,-1.52,;4.42,-1.18,;4.02,-2.67,;5.56,-2.67,;4.02,.31,;5.11,1.4,;4.71,2.88,;3.22,3.28,;2.82,4.77,;2.13,2.19,;2.53,.71,;1.88,-4.45,;-2.52,-2.19,;-4.01,-1.79,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(Oc3cnccn3)ccc21 |(2.08,4.77,;2.48,3.28,;3.96,2.88,;4.36,1.4,;3.27,.31,;1.79,.71,;1.39,2.19,;3.67,-1.18,;5.17,-1.52,;5.84,-2.91,;5.17,-4.3,;4.81,-2.67,;3.27,-2.67,;3.67,-4.64,;2.47,-3.68,;1.13,-4.45,;-.2,-3.68,;-1.53,-4.45,;-2.87,-3.68,;-3.96,-4.77,;-5.44,-4.37,;-5.84,-2.88,;-4.75,-1.79,;-3.27,-2.19,;-.2,-2.14,;1.13,-1.37,;2.47,-2.14,)|
Nc1cnc(Oc2ccc3c(CN4CCC3(CC4)c3ccc(Cl)cc3)c2)cn1 |(-6.59,-2.48,;-5.1,-2.88,;-4.01,-1.79,;-2.52,-2.19,;-2.12,-3.68,;-.79,-4.45,;.54,-3.68,;.54,-2.14,;1.88,-1.37,;3.21,-2.14,;3.21,-3.68,;4.42,-4.64,;5.92,-4.3,;6.59,-2.91,;5.92,-1.52,;4.42,-1.18,;4.02,-2.67,;5.56,-2.67,;4.02,.31,;5.11,1.4,;4.71,2.88,;3.22,3.28,;2.82,4.77,;2.13,2.19,;2.53,.71,;1.88,-4.45,;-3.21,-4.77,;-4.7,-4.37,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(OCCCc3ccncc3)ccc21 |(3.92,5.77,;4.32,4.28,;5.81,3.88,;6.21,2.39,;5.12,1.3,;3.63,1.7,;3.23,3.19,;5.52,-.18,;7.02,-.53,;7.69,-1.92,;7.02,-3.3,;6.66,-1.67,;5.12,-1.67,;5.52,-3.65,;4.31,-2.69,;2.98,-3.46,;1.65,-2.69,;.31,-3.46,;-1.02,-2.69,;-2.35,-3.46,;-3.69,-2.69,;-5.02,-3.46,;-6.35,-2.69,;-7.69,-3.46,;-7.69,-5,;-6.35,-5.77,;-5.02,-5,;1.65,-1.15,;2.98,-.38,;4.31,-1.15,)|
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(OCCCc3cccnc3)ccc21 |(3.92,5.77,;4.32,4.28,;5.81,3.88,;6.21,2.39,;5.12,1.3,;3.63,1.7,;3.23,3.19,;5.52,-.18,;7.02,-.53,;7.69,-1.92,;7.02,-3.3,;6.66,-1.67,;5.12,-1.67,;5.52,-3.65,;4.31,-2.69,;2.98,-3.46,;1.65,-2.69,;.31,-3.46,;-1.02,-2.69,;-2.35,-3.46,;-3.69,-2.69,;-5.02,-3.46,;-6.35,-2.69,;-7.69,-3.46,;-7.69,-5,;-6.35,-5.77,;-5.02,-5,;1.65,-1.15,;2.98,-.38,;4.31,-1.15,)|
Clc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(ccc21)-c1ccc2ncnn2c1 |(2.44,5.77,;2.84,4.28,;1.75,3.19,;2.15,1.7,;3.64,1.3,;4.73,2.39,;4.33,3.88,;5.42,4.97,;4.04,-.18,;5.54,-.53,;6.21,-1.92,;5.54,-3.3,;5.18,-1.67,;3.64,-1.67,;4.04,-3.65,;2.83,-2.69,;1.5,-3.46,;.17,-2.69,;.17,-1.15,;1.5,-.38,;2.83,-1.15,;-1.17,-3.46,;-1.17,-5,;-2.5,-5.77,;-3.84,-5,;-5.3,-5.47,;-6.21,-4.23,;-5.3,-2.98,;-3.84,-3.46,;-2.5,-2.69,)|
Clc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(ccc21)-c1ccc2[nH]c(=O)oc2c1 |(3.21,5.77,;3.61,4.28,;2.52,3.19,;2.92,1.7,;4.41,1.3,;5.5,2.39,;5.1,3.88,;6.19,4.97,;4.81,-.18,;6.31,-.53,;6.98,-1.92,;6.31,-3.3,;5.95,-1.67,;4.41,-1.67,;4.81,-3.65,;3.6,-2.69,;2.27,-3.46,;.94,-2.69,;.94,-1.15,;2.27,-.38,;3.6,-1.15,;-.4,-3.46,;-.4,-5,;-1.73,-5.77,;-3.07,-5,;-4.53,-5.47,;-5.44,-4.23,;-6.98,-4.23,;-4.53,-2.98,;-3.07,-3.46,;-1.73,-2.69,)|
Clc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(ccc21)-c1cccnn1 |(3.46,7.32,;3.86,5.83,;2.77,4.74,;3.17,3.25,;4.65,2.85,;5.74,3.94,;5.34,5.43,;6.43,6.52,;5.05,1.37,;6.55,1.02,;7.22,-.36,;6.55,-1.75,;6.19,-.12,;4.65,-.12,;5.05,-2.09,;3.85,-1.13,;2.51,-1.9,;1.18,-1.13,;1.18,.41,;2.51,1.18,;3.85,.41,;-.15,-1.9,;-1.49,-1.13,;-2.82,-1.9,;-2.87,-3.47,;-1.49,-4.21,;-.15,-3.44,)|
COc1ccc(nn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)c(Cl)c2)c1 |(-5.74,-6.56,;-5.74,-5.02,;-4.4,-4.25,;-4.35,-2.69,;-3.02,-1.92,;-1.69,-2.69,;-1.69,-4.23,;-3.02,-5,;-.35,-1.92,;-.35,-.38,;.98,.39,;2.31,-.38,;2.31,-1.92,;3.52,-2.88,;5.02,-2.53,;5.69,-1.15,;5.02,.24,;3.52,.59,;3.12,-.9,;4.66,-.9,;3.12,2.07,;1.63,2.47,;1.23,3.96,;2.32,5.05,;1.92,6.54,;3.81,4.65,;4.9,5.74,;4.21,3.16,;.98,-2.69,)|
Oc1ccc(nn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)c(Cl)c2)c1 |(-5.69,-5.77,;-4.35,-5,;-4.35,-3.46,;-3.02,-2.69,;-1.69,-3.46,;-1.69,-5,;-3.02,-5.77,;-.35,-2.69,;-.35,-1.15,;.98,-.38,;2.31,-1.15,;2.31,-2.69,;3.52,-3.65,;5.02,-3.3,;5.69,-1.92,;5.02,-.53,;3.52,-.18,;3.12,-1.67,;4.66,-1.67,;3.12,1.3,;1.63,1.7,;1.23,3.19,;2.32,4.28,;1.92,5.77,;3.81,3.88,;4.9,4.97,;4.21,2.39,;.98,-3.46,)|
Nc1cnc(cn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)c(Cl)c2)c1 |(-5.69,-5.77,;-4.35,-5,;-4.35,-3.46,;-3.02,-2.69,;-1.69,-3.46,;-1.69,-5,;-3.02,-5.77,;-.35,-2.69,;-.35,-1.15,;.98,-.38,;2.31,-1.15,;2.31,-2.69,;3.52,-3.65,;5.02,-3.3,;5.69,-1.92,;5.02,-.53,;3.52,-.18,;3.12,-1.67,;4.66,-1.67,;3.12,1.3,;1.63,1.7,;1.23,3.19,;2.32,4.28,;1.92,5.77,;3.81,3.88,;4.9,4.97,;4.21,2.39,;.98,-3.46,)|
Cc1cc2ncnn2cc1-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)c(Cl)c2)c1 |(.17,-5.77,;-1.17,-5,;-2.5,-5.77,;-3.84,-5,;-5.3,-5.47,;-6.21,-4.23,;-5.3,-2.98,;-3.84,-3.46,;-2.5,-2.69,;-1.17,-3.46,;.17,-2.69,;.17,-1.15,;1.5,-.38,;2.83,-1.15,;2.83,-2.69,;4.04,-3.65,;5.54,-3.3,;6.21,-1.92,;5.54,-.53,;4.04,-.18,;3.64,-1.67,;5.18,-1.67,;3.64,1.3,;2.15,1.7,;1.75,3.19,;2.84,4.28,;2.44,5.77,;4.33,3.88,;5.42,4.97,;4.73,2.39,;1.5,-3.46,)|
Clc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(Oc3cnccn3)ccc21 |(2.08,4.77,;2.48,3.28,;1.39,2.19,;1.79,.71,;3.27,.31,;4.36,1.4,;3.96,2.88,;5.05,3.97,;3.67,-1.18,;5.17,-1.52,;5.84,-2.91,;5.17,-4.3,;4.81,-2.67,;3.27,-2.67,;3.67,-4.64,;2.47,-3.68,;1.13,-4.45,;-.2,-3.68,;-1.53,-4.45,;-2.87,-3.68,;-3.96,-4.77,;-5.44,-4.37,;-5.84,-2.88,;-4.75,-1.79,;-3.27,-2.19,;-.2,-2.14,;1.13,-1.37,;2.47,-2.14,)|
FC(F)(F)c1ccc(Oc2ccc3c(CN4CCC3(CC4)c3ccc(Cl)c(Cl)c3)c2)nn1 |(-7.69,-.67,;-6.35,-1.44,;-5.96,.05,;-7.69,-2.21,;-5.02,-2.21,;-5.02,-3.75,;-3.69,-4.52,;-2.35,-3.75,;-1.02,-4.52,;.31,-3.75,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,;2.98,-3.75,;4.19,-4.71,;5.69,-4.36,;6.35,-2.98,;5.69,-1.59,;4.19,-1.24,;3.79,-2.73,;5.33,-2.73,;3.79,.24,;2.3,.64,;1.9,2.13,;2.99,3.22,;2.59,4.71,;4.48,2.82,;5.57,3.91,;4.88,1.33,;1.65,-4.52,;-2.35,-2.21,;-3.69,-1.44,)|
FC(F)Oc1ccc2c(CN3CCC2(CC3)c2ccc(Cl)c(Cl)c2)c1 |(-5.02,-4.52,;-3.69,-3.75,;-4.46,-2.41,;-2.35,-4.52,;-1.02,-3.75,;-1.02,-2.21,;.31,-1.44,;1.65,-2.21,;1.65,-3.75,;2.85,-4.71,;4.35,-4.36,;5.02,-2.98,;4.35,-1.59,;2.85,-1.24,;2.45,-2.73,;3.99,-2.73,;2.45,.24,;.97,.64,;.57,2.13,;1.66,3.22,;1.26,4.71,;3.14,2.82,;4.23,3.91,;3.54,1.33,;.31,-4.52,)|
Fc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(Oc3ccc(nn3)C(F)(F)F)ccc21 |(2.59,4.71,;2.99,3.22,;1.9,2.13,;2.3,.64,;3.79,.24,;4.88,1.33,;4.48,2.82,;5.57,3.91,;4.19,-1.24,;5.69,-1.59,;6.35,-2.98,;5.69,-4.36,;5.24,-3.02,;3.94,-2.61,;4.19,-4.71,;2.98,-3.75,;1.65,-4.52,;.31,-3.75,;-1.02,-4.52,;-2.35,-3.75,;-3.69,-4.52,;-5.02,-3.75,;-5.02,-2.21,;-3.69,-1.44,;-2.35,-2.21,;-6.35,-1.44,;-7.69,-.67,;-6.35,.1,;-7.69,-2.21,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,)|
Fc1cc(ccc1Cl)C12CCN(CC1)Cc1cc(Oc3ccc(nn3)C(F)(F)F)ccc21 |(5.57,3.91,;4.48,2.82,;4.88,1.33,;3.79,.24,;2.3,.64,;1.9,2.13,;2.99,3.22,;2.59,4.71,;4.19,-1.24,;5.69,-1.59,;6.35,-2.98,;5.69,-4.36,;5.15,-3.1,;3.98,-2.71,;4.19,-4.71,;2.98,-3.75,;1.65,-4.52,;.31,-3.75,;-1.02,-4.52,;-2.35,-3.75,;-3.69,-4.52,;-5.02,-3.75,;-5.02,-2.21,;-3.69,-1.44,;-2.35,-2.21,;-6.35,-1.44,;-7.69,-.67,;-6.35,.1,;-7.69,-2.21,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,)|
FC(F)(F)c1ccc(Oc2ccc3c(CN4CCC3(CC4)c3cccc(Cl)c3)c2)nn1 |(-7.69,-.27,;-6.35,-1.04,;-6.35,.5,;-7.69,-1.81,;-5.02,-1.81,;-5.02,-3.35,;-3.69,-4.12,;-2.35,-3.35,;-1.02,-4.12,;.31,-3.35,;.31,-1.81,;1.65,-1.04,;2.98,-1.81,;2.98,-3.35,;4.19,-4.31,;5.69,-3.96,;6.35,-2.58,;5.69,-1.19,;4.19,-.85,;3.91,-2.18,;5.12,-2.59,;3.79,.64,;2.3,1.04,;1.9,2.53,;2.99,3.62,;4.48,3.22,;5.57,4.31,;4.88,1.73,;1.65,-4.12,;-2.35,-1.81,;-3.69,-1.04,)|
FC(F)(F)c1ccc(cc1)C12CCN(CC1)Cc1cc(Oc3ccc(nn3)C(F)(F)F)ccc21 |(2.19,6.19,;2.59,4.71,;3.68,5.79,;1.1,5.1,;2.99,3.22,;4.48,2.82,;4.88,1.33,;3.79,.24,;2.3,.64,;1.9,2.13,;4.19,-1.24,;5.69,-1.59,;6.35,-2.98,;5.69,-4.36,;5.27,-2.95,;3.98,-2.76,;4.19,-4.71,;2.98,-3.75,;1.65,-4.52,;.31,-3.75,;-1.02,-4.52,;-2.35,-3.75,;-3.69,-4.52,;-5.02,-3.75,;-5.02,-2.21,;-3.69,-1.44,;-2.35,-2.21,;-6.35,-1.44,;-7.69,-.67,;-6.35,.1,;-7.69,-2.21,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,)|
Fc1ccc(cc1F)C12CCN(CC1)Cc1cc(Oc3ccc(nn3)C(F)(F)F)ccc21 |(2.59,4.71,;2.99,3.22,;1.9,2.13,;2.3,.64,;3.79,.24,;4.88,1.33,;4.48,2.82,;5.57,3.91,;4.19,-1.24,;5.69,-1.59,;6.35,-2.98,;5.69,-4.36,;5.17,-3.14,;3.79,-2.73,;4.19,-4.71,;2.98,-3.75,;1.65,-4.52,;.31,-3.75,;-1.02,-4.52,;-2.35,-3.75,;-3.69,-4.52,;-5.02,-3.75,;-5.02,-2.21,;-3.69,-1.44,;-2.35,-2.21,;-6.35,-1.44,;-7.69,-.67,;-6.35,.1,;-7.69,-2.21,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,)|
Fc1ccc(cc1)C12CCN(CC1)Cc1cc(Oc3ccc(nn3)C(F)(F)F)ccc21 |(2.59,4.71,;2.99,3.22,;4.48,2.82,;4.88,1.33,;3.79,.24,;2.3,.64,;1.9,2.13,;4.19,-1.24,;5.69,-1.59,;6.35,-2.98,;5.69,-4.36,;5.11,-3.04,;3.97,-2.73,;4.19,-4.71,;2.98,-3.75,;1.65,-4.52,;.31,-3.75,;-1.02,-4.52,;-2.35,-3.75,;-3.69,-4.52,;-5.02,-3.75,;-5.02,-2.21,;-3.69,-1.44,;-2.35,-2.21,;-6.35,-1.44,;-7.69,-.67,;-6.35,.1,;-7.69,-2.21,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,)|
Fc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(ccc21)-c1ccc(nn1)C(F)(F)F |(1.92,5.77,;2.32,4.28,;1.23,3.19,;1.63,1.7,;3.12,1.3,;4.21,2.39,;3.81,3.88,;4.9,4.97,;3.52,-.18,;5.02,-.53,;5.69,-1.92,;5.02,-3.3,;5.02,-2.03,;3.53,-1.67,;3.52,-3.65,;2.31,-2.69,;.98,-3.46,;-.35,-2.69,;-.35,-1.15,;.98,-.38,;2.31,-1.15,;-1.69,-3.46,;-1.69,-5,;-3.02,-5.77,;-4.35,-5,;-4.35,-3.46,;-3.02,-2.69,;-5.69,-5.77,;-7.02,-6.54,;-7.02,-5,;-5.69,-7.31,)|
Fc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(ccc21)-c1ccc2ncnn2c1 |(2.44,5.77,;2.84,4.28,;1.75,3.19,;2.15,1.7,;3.63,1.3,;4.72,2.39,;4.32,3.88,;5.41,4.97,;4.03,-.18,;5.53,-.53,;6.2,-1.92,;5.53,-3.3,;5.53,-2.07,;4.03,-1.67,;4.03,-3.65,;2.83,-2.69,;1.49,-3.46,;.16,-2.69,;.16,-1.15,;1.49,-.38,;2.83,-1.15,;-1.17,-3.46,;-1.17,-5,;-2.51,-5.77,;-3.84,-5,;-5.28,-5.46,;-6.2,-4.2,;-5.28,-2.96,;-3.84,-3.46,;-2.51,-2.69,)|
Fc1ccc(cc1Cl)C12CCN(C1)Cc1cc(ccc21)-c1ccc2ncnn2c1
Fc1ccc(cc1Cl)C12CCN(C1)Cc1cc(ccc21)-c1ccc(nn1)C(F)(F)F
CN1CC(c2c(C)noc2C)c2ccccc2C1
CN1CC(c2cccs2)c2ccccc2C1
CN1CC(c2ccc(C)s2)c2ccccc2C1
CN1CC(c2ccc(C)o2)c2ccccc2C1
COc1ccc(cn1)C1CN(C)Cc2ccccc12
CN1CC(c2cc3ccccc3s2)c2ccccc2C1
CN1CC(c2ccc3sccc3c2)c2ccccc2C1
CN1CC(c2cc3ccccc3o2)c2ccccc2C1
CN1CC(c2ccccc2C1)c1cccc2ccoc12
COc1cccc2cc(oc12)C1CN(C)Cc2ccccc12
CN1CC(c2ccc3occc3c2)c2ccccc2C1
CN1CC(c2ccc3ccoc3c2)c2ccccc2C1
CN1CC(c2ccc3[nH]ccc3c2)c2ccccc2C1
CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cccnn1
CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cncnc1
CN1CC(c2cc3ccccc3s2)c2ccc(CN3CCOCC3)cc2C1
COc1c(ccc2sccc12)C1CN(C)Cc2ccccc12
COc1c(ccc2sccc12)C1CN(C)Cc2cc(ccc12)-c1ccc(C)nn1
CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)-c1cccnn1
CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1
CN(C)Cc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
CN1CC(c2cc3ccccc3o2)c2ccc(cc2C1)-c1cccnn1
CN1CC(c2ccc3cc[nH]c3c2)c2ccccc2C1
CN1CC(c2ccc3[nH]ncc3c2)c2ccccc2C1
CN1CC(c2ccc3cn[nH]c3c2)c2ccccc2C1
CCN1CC(c2ccc3cn[nH]c3c2)c2ccccc2C1
CN1CC(c2ccc3sncc3c2)c2ccccc2C1
CCC(=O)OCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCOc1ccc(cc1)C1(CCC1)C(CC(C)C)NCCOC(=O)CC
CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(OCC)cc1
CCCC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCCC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(OCC)cc1
CC(CCNCCCC(N)=O)CC1(CCC1)c1ccc(Cl)c(Cl)c1
C[C@@H](CCNCCCC(N)=O)CC1(CCC1)c1ccc(Cl)c(Cl)c1
C[C@H](CCNCCCC(N)=O)CC1(CCC1)c1ccc(Cl)c(Cl)c1
CCOc1ccc(cc1)C1(CC(C)CCNCCCC(N)=O)CCC1
CCOc1ccc(cc1)C1(C[C@@H](C)CCNCCCC(N)=O)CCC1
CCOc1ccc(cc1)C1(C[C@H](C)CCNCCCC(N)=O)CCC1
CCOC(C1CNC1)c1ccc(Cl)cc1
COC(C1CNC1)c1ccccc1C
Clc1ccc(cc1)C(Oc1ccccc1)C1CNC1
Clc1ccc(cc1Cl)C(Oc1ccccc1)C1CNC1
C(OC(C1CNC1)c1ccccc1)c1ccccc1
Clc1ccc(cc1)C(OCc1ccccc1)C1CNC1
Clc1ccc(cc1Cl)C(OCc1ccccc1)C1CNC1
O=C(OC(C1CNC1)c1ccccc1)c1ccccc1
Clc1ccc(cc1)C(OC(=O)c1ccccc1)C1CNC1
Clc1ccc(cc1Cl)C(OC(=O)c1ccccc1)C1CNC1
Cc1ccccc1OC(C1CNC1)c1ccc(Cl)c(Cl)c1
Cc1cccc(OC(C2CNC2)c2ccc(Cl)c(Cl)c2)c1
Cc1ccc(OC(C2CNC2)c2ccc(Cl)c(Cl)c2)cc1
CCOCCCCNC(CC(C)C)C1(CCC1)c1ccc(SC)cc1
CCOCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCCOCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
COCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCOCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCSCCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1
CCOc1ccc(cc1)C1(CCC1)C(CC(C)C)NCCSCC
CCSCCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCCCSCCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCSCCNC(CC)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCS(=O)(=O)CCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
CCC(NC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1)C([O-])=O
CCC(NC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1)C(=O)OCC(C)C
CCCN1CCC2C1CCc1ccc(O)cc21
CC(N)CCc1ccccc1Cl
CC(C)CC(NCCCC(N)=O)C1(CCC1)c1ccc(Cl)c(Cl)c1
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
CCSCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Cc1ccc(cc1)-c1nc(NCC(c2ccccc2)c2cccc(Cl)n2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(c2ccccc2)c2ccccn2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(c2ccccc2)c2ccccn2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(O)(c2ccccc2)c2ccccc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(O)(c2ccccc2)c2ccccc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(C2CCCCC2)c2ccccc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(C2CCCCC2)c2ccccc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(c2ccccc2)c2ncccn2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(c2ccccc2)c2ncccn2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(c2ccccc2)c2ccncc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(c2ccccc2)c2ccncc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(c2ccccc2)n2ccnc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(c2ccccc2)n2ccnc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(c2ccc[nH]2)c2ccccc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(c2ccc[nH]2)c2ccccc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(N2CCCCC2)c2ccccc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(N2CCCCC2)c2ccccc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(N2CCOCC2)c2ccccc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(N2CCOCC2)c2ccccc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(N2CCCC2)c2ccccc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(N2CCCC2)c2ccccc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(N2CCN(C)CC2)c2ccccc2)c2ccccc2n1
CN1CCN(CC1)C(CNc1nc(nc2ccccc12)-c1ccc(NS(C)(=O)=O)cc1)c1ccccc1
CN(C)c1ccc(cc1)-c1nc(NCC(c2ccccc2)c2cccnc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(c2ccccc2)c2cccnc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(Cc2ccccc2)c2ccccc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(Cc2ccccc2)c2ccccc2)c2ccccc2n1
CN(C)c1ccc(c(C)c1)-c1nc(NCC(c2ccc(CO)[nH]2)c2ccccc2)c2ccccc2n1
Cc1cc(NS(C)(=O)=O)ccc1-c1nc(NCC(c2ccccc2)c2ccncc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(c2ccc[nH]2)c2cccnc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(c2ccc[nH]2)c2cccnc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(c2ccc[nH]2)c2ccccn2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(c2ccc[nH]2)c2ccccn2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(c2ccncc2)c2ccncc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(c2ccncc2)c2ccncc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCCc2ccccc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCCc2ccccc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(C)(c2ccccc2)c2ccccc2)c2ccccc2n1
CC(CNc1nc(nc2ccccc12)-c1ccc(NS(C)(=O)=O)cc1)(c1ccccc1)c1ccccc1
CN(C)c1ccc(cc1)-c1nc(NC(Cc2ccccc2)c2ccccc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(Cc2ccccc2)c2ccccc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(CCc2ccccc2)c2ccccc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NC(CCc2ccccc2)c2ccccc2)c2ccccc2n1
CC(C)C(CNc1nc(nc2ccccc12)-c1ccc(cc1)N(C)C)c1ccccc1
CC(C)C(CNc1nc(nc2ccccc12)-c1ccc(NS(C)(=O)=O)cc1)c1ccccc1
CCN(CC)C(=O)[C@@]1(C[C@@H]1CNc1nc(nc2ccccc12)-c1ccc(cc1)N(C)C)c1ccccc1 |r|
Cc1cc(NS(C)(=O)=O)ccc1-c1nc(NCC(c2ccncc2)c2ccncc2)c2ccccc2n1
CN(C)c1ccc(cc1)-c1nc(NCC(Oc2ccccc2)c2ccccc2)c2ccccc2n1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(Oc2ccccc2)c2ccccc2)c2ccccc2n1
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
O=C(Nc1ccccc1)\N=C1/CN(Cc2ccccc2)NO1
OC(=O)c1ccc(CN2C\C(ON2)=N/C(=O)Nc2ccccc2)cc1
Cc1ccc(CN2C\C(ON2)=N/C(=O)Nc2ccccc2)cc1
Clc1ccc(NC(=O)\N=C2/CN(CCc3ccccc3)NO2)cc1Cl
[O-][N+](=O)c1ccc(CCN2C\C(ON2)=N/C(=O)Nc2ccc(c(c2)[N+]([O-])=O)[N+]([O-])=O)cc1
O=C(Nc1ccccc1)\N=C1/CN(CCCc2ccccc2)NO1
Fc1ccc(CN2C\C(ON2)=N/C(=O)Nc2ccccc2)cc1
Cc1ccc(cc1)C1CCNc2cc(ccc12)-c1ccc(C)nn1
Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1
S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
NC(=O)CSC(c1ccccc1)c1ccccc1
NC(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1
CNC(=O)CSC(c1ccccc1)c1ccccc1
CNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
C=CCNC(=O)CSC(c1ccccc1)c1ccccc1
CCCNC(=O)CSC(c1ccccc1)c1ccccc1
CCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
CCCNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
O=C(CSC(c1ccccc1)c1ccccc1)NC1CC1
Fc1ccc(cc1)C(SCC(=O)NC1CC1)c1ccc(F)cc1
Brc1ccc(cc1)C(SCC(=O)NC1CC1)c1ccc(Br)cc1
CCCCNC(=O)CSC(c1ccccc1)c1ccccc1
CCCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
CCCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
O=C(CSC(c1ccccc1)c1ccccc1)NCCCc1ccccc1
Fc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(F)cc1
Clc1ccc(CCCNC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)cc1
Brc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(Br)cc1
O=C(CSC(c1ccccc1)c1ccccc1)NCCCCc1ccccc1
Brc1ccc(cc1)C(SCC(=O)NCCCCc1ccccc1)c1ccc(Br)cc1
Cc1ccc(cc1)C(c1ccc(C)cc1)S(=O)CC(N)=O
NC(=O)CS(=O)C(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
NC(=O)CS(=O)C(c1cccc(F)c1)c1cccc(F)c1
NC(=O)CS(=O)C(c1cccc(Cl)c1)c1cccc(Cl)c1
NC(=O)CS(=O)C(c1ccccc1)c1cccc(Br)c1
CNC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Brc1ccc(cc1)C(c1ccc(Br)cc1)S(=O)CC(=O)NCCCc1ccccc1
NC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
NCCSC(c1ccccc1)c1ccccc1
NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
NCCSC(c1ccc(Br)cc1)c1ccc(Br)cc1
C(CSC(c1ccccc1)c1ccccc1)NC1CC1
CCCCNCCSC(c1ccccc1)c1ccccc1
C(CNCCSC(c1ccccc1)c1ccccc1)Cc1ccccc1
Fc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(F)cc1
Brc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(Br)cc1
NCCS(=O)C(c1ccccc1)c1ccccc1
CCCCNCCS(=O)C(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCNCCCc1ccccc1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)S(=O)CCNCCCc1ccccc1
Brc1ccc(cc1)C(c1ccc(Br)cc1)S(=O)CCNCCCc1ccccc1
O=S(CCNCCCc1ccccc1)C(c1ccccc1)c1ccccc1
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
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CC2)CNCCO3)c1
C1COC2(CCN(CC2)c2ccccc2Oc2ccccc2)CN1
Fc1cccc(Oc2ccccc2N2CCC3(CC2)CNCCO3)c1
N#Cc1ccc(Oc2ccccc2)c(c1)N1CCC2(CC1)CNCCO2
C1COC2(CCN(CC2)c2cccc(Oc3ccccc3)c2)CN1
Fc1cccc(Oc2cccc(c2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(F)cc(c2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2ccc(F)c(c2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(ccc2F)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(N3CCC4(CC3)CNCCO4)c(F)cc2F)c1
Fc1cccc(Oc2cc(F)c(F)c(c2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(cc(F)c2F)N2CCC3(CC2)CNCCO3)c1
Fc1c(Oc2ccccc2)cccc1N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cccc(N3CCC4(CC3)CNCCO4)c2F)c1
Fc1cccc(Oc2cc(F)cc(N3CCC4(CC3)CNCCO4)c2F)c1
Fc1cccc(Oc2ccc(F)c(N3CCC4(CC3)CNCCO4)c2F)c1
N#Cc1cc(Oc2ccccc2)cc(c1)N1CCC2(CC1)CNCCO2
N#Cc1ccc(Oc2ccccc2)cc1N1CCC2(CC1)CNCCO2
Cc1ccc(Oc2ccccc2)cc1N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cncc(c2)N2CCC3(CC2)CNCCO3)c1
C(c1ccccc1)c1cccc(c1)N1CCC2(CC1)CNCCO2
Cc1c(Oc2cccc(F)c2)cc(cc1C#N)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cccc(n2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(cc(n2)N2CCC3(CC2)CNCCO3)C(F)(F)F)c1
Fc1cccc(Oc2cc(cc(n2)N2CCC3(CC2)CNCCO3)C#N)c1
Fc1cccc(Oc2nc(cc(c2C#N)C(F)(F)F)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(c(C#N)c(n2)N2CCC3(CC2)CNCCO3)C(F)(F)F)c1
Fc1cccc(Oc2cncc(n2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2ccnc(n2)N2CCC3(CC2)CNCCO3)c1
Cc1cc(Oc2ccccc2)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cc(Oc2cccc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cccc(Oc2cc(C)nc(n2)N2CCC3(CC2)CNCCO3)c1
Cc1cc(Oc2cccc(c2)C#N)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cc(Oc2cccc(OC(F)(F)F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cc(Oc2cccc(c2)C(F)(F)F)nc(n1)N1CCC2(CC1)CNCCO2
COc1cccc(Oc2cc(C)nc(n2)N2CCC3(CC2)CNCCO3)c1
Cc1cc(Oc2cc(F)cc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cc(Oc2ccccc2C)nc(n1)N1CCC2(CC1)CNCCO2
COc1ccccc1Oc1cc(C)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cc(Oc2cccnc2)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cnc(nc1Oc1cccc(F)c1)N1CCC2(CC1)CNCCO2
FC(F)(F)c1cc(Oc2ccccc2)nc(n1)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C(F)(F)F)c1
Fc1ccccc1Oc1cc(nc(n1)N1CCC2(CC1)CNCCO2)C(F)(F)F
Fc1ccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C(F)(F)F)cc1
FC(F)(F)c1cc(Oc2cccc(c2)C#N)nc(n1)N1CCC2(CC1)CNCCO2
FC(F)(F)c1cc(Oc2cccs2)nc(n1)N1CCC2(CC1)CNCCO2
COc1cc(Cc2ccccc2)nc(n1)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C#N)c1
CSc1cc(Oc2cccc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
CSc1cc(nc(Oc2cccc(F)c2)n1)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C2CC2)c1
COc1cc(Oc2cccc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cc(nc(n2)N2CCOC3(CCNCC3)C2)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNC(=O)CO3)C(F)(F)F)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CC2)CNCC(F)(F)O3)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCC(F)(F)O3)C(F)(F)F)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CC2)CNCCS3(=O)=O)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCS3(=O)=O)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCC(=O)N3)C(F)(F)F)c1
CN1CCNCC11CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCN3)C(F)(F)F)c1
CN1CCCNC(=O)C11CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CN1CCCNCC11CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)COCCN3)C(F)(F)F)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCCNC3)CC2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCCC3(CCNCC3)C2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCCC3(CCCNC3)C2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCNCC3)CC2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CNCCO3)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCCNC3)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CNCCC32OCCO2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CNCCC3=O)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(C2)CNCCC32OCCO2)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(C2)CNCCC3=O)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CNC(=O)O3)CC2)C(F)(F)F)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCNCC3)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCNC3)CC2)c1
Fc1cccc(Oc2cc(F)cc(c2)N2CCC3(CCNC3)CC2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCNCC32OCCO2)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(C2)CCNCC32OCCO2)C(F)(F)F)c1
OC1CNCCC11CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
O[C@H]1CNCCC11CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F |r|
Fc1cccc(Oc2cc(nc(n2)N2CC3(C2)CNCCO3)C(F)(F)F)c1
CN(C)CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CN2CCCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC2CC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CN(CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F)C1CC1
CNCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CN2CCC(F)(F)C2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CN2CCCNCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC1CCC(C)N1CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC(C)(C)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CN2CCCC2=O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
NCC1(F)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
NCC1(O)CCN(CC1)c1cc(F)cc(Oc2cccc(F)c2)c1
NCC1(O)CCN(CC1)c1cc(F)cc(Oc2cccc(F)c2)c1F
NCC1(O)CCN(CC1)c1cccc(Oc2ccccc2)c1F
NCC1(O)CCN(CC1)c1cccc(Oc2cccc(F)c2)c1F
NCC1(O)CCN(CC1)c1cc(Oc2cccc(F)c2)cc(F)c1F
NCC1(O)CCN(CC1)c1cc(F)c(F)c(Oc2cccc(F)c2)c1
NC1(CO)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC(C)C(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)CC2CC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC(C)OCC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)C2CNC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)c2ccccc2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)c2cn[nH]c2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)c2cnccn2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
NCC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
O[C@]1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F |r|
NCC1(O)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC(C)C(=O)NCC1(O)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)C2CNC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Fc1cccc(Oc2cc(nc(n2)N2CCc3nc[nH]c3C2)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3NCCCC3C2)C(F)(F)F)c1
CNC[C@@H]([C@H](OCC(=O)NC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1
CNC[C@@H]([C@H](OCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 |r|
CN1CO[C@@H]([C@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H](Cc1ccccc1)c1ccc2ccccc2c1 |r|
CCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H]([C@@H](O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NC1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](F)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](F)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccncc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NC1CC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNCC([C@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNCC(Cc1ccccc1F)c1ccc2ccccc2c1
CNC[C@@H]([C@H](OCc1cc(C)on1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CC[C@H](O)C1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCc1cc(C)no1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNC[C@@H]([C@H](OCc1noc(C)n1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CCOCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccc(N)c1)c1ccc(Cl)c(Cl)c1 |r|
CNCC([C@H](CO)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccc(Cl)nc1)c1ccc2ccccc2c1 |r|
CNCC(CCc1ccccc1)[C@@H](O)c1ccccc1 |r|
CNC[C@@H]([C@H](O)c1ccccc1C)c1ccc2ccccc2c1 |r|
CCCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCc1cccn(C)c1=O)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N(C)C)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CC[C@@H](O)C1)c1ccccc1)c1ccc2ccccc2c1 |r|
CCOC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H]([C@H](O)c1cc(F)cc(F)c1)c1ccc2ccccc2c1 |r|
CNCC(C(OC)c1ccccc1)c1ccc2ccccc2c1
CNCC(Cc1ccccc1C)c1ccc2ccccc2c1
CNCC(Cc1cccs1)c1ccc2ccccc2c1
C[C@](CN)(Cc1cccnc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNC[C@@H](Cc1ccc(C)s1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)Nc1ccccc1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccs1)c1ccc2ccccc2c1 |r|
CNCC(Cc1cccnc1)c1ccc2ccccc2c1
CNC[C@H]([C@@H](O)c1cccnc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CCCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NCCOC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(Cc1ccccc1O)c1ccc2ccccc2c1
CNCC([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(OC)c(C)c1 |r|
CNC[C@@H]([C@H](O)c1cccnc1)c1ccc(OC)c(C)c1 |r|
CNCC(Cc1ccccc1OC)c1ccc2ccccc2c1
CNC[C@@H]([C@H](O)c1ccc(Cl)s1)c1ccc2ccccc2c1 |r|
CNC[C@@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](Cl)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccnc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(N)c1)c1ccc(Cl)c(Cl)c1 |r|
C1CO[C@H]([C@@H](CN1)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1[N+]([O-])=O)c1ccc(Cl)c(Cl)c1 |r|
CNCC(CCc1ccccc1)[C@H](O)c1ccccc1 |r|
CNC[C@@H]([C@H](OCc1nc(C)no1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NCC(F)(F)F)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](OCC(=O)N(C)OC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@H](O)c1ccccn1)c1ccc2ccccc2c1 |r|
CNCC([C@H](O)c1ccccc1)c1ccc(F)c(Cl)c1 |r|
CNCC(Cc1ccccc1)c1ccc2cccnc2c1
CNC[C@@H]([C@H](O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 |r|
CN1CCO[C@@H]([C@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@H]([C@@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCc1cccc(=O)n1C)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(Cc1cccnc1)c1ccc(Cl)c(Cl)c1
CNC[C@@H]([C@H](O[C@H](C)C(=O)N1CCCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CN(C)C[C@@H]([C@H](N)c1ccccc1)c1ccc2ccccc2c1 |r|
CN(C)C[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCc1nc(co1)C(=O)OC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(C[C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CN(C)CC(C)(C(O)c1ccccc1)c1ccc2ccccc2c1
CNC[C@@H]([C@H](N)c1ccccc1)c1ccc2ccccc2c1 |r|
NC[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1
CN(C)C[C@@H]([C@H](OCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
NCC([C@@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cncc(OC)c1)c1ccc2ccccc2c1 |r|
CNC[C@H](C[C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(NC(C)=O)c1)c1ccc(Cl)c(Cl)c1 |r|
NC[C@@H]([C@@H](O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1SC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@H](O)c1cccc(NC(C)=O)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1-c1cccs1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(c1)S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(c1)[N+]([O-])=O)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccnc1OC)c1ccc(Cl)c(Cl)c1 |r|
CN(C)C[C@@H]([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccsc1)c1ccc(Cl)c(Cl)c1 |r|
NCC(C(O)c1ccc(F)cc1F)c1ccc2ccccc2c1
CNC[C@H]([C@@H](O)c1cccc(c1)N(C)C)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cncc(OC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
NCC[C@@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(cc1)-c1ccccc1 |r|
CNC[C@H]([C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(c1)S(C)=O)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](OCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 |r|
NC[C@H](C(O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1cccc(N)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(SC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cncc(OC)c1)c1ccc2ccccc2c1 |r|
CN1CCO[C@H]([C@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
CN1CCO[C@H]([C@@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@H]([C@@H](O)c1cccc(c1)N1CCOCC1)c1ccc(Cl)c(Cl)c1 |r|
NC[C@H]([C@@H](O)c1ccc(Cl)nc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1 |r|
CN1C[C@@H]([C@H](OCC1=O)c1ccccc1)c1ccc2ccccc2c1 |r|
O[C@H]([C@@H](CNCC(F)(F)F)c1ccc2ccccc2c1)c1ccccc1 |r|
NC[C@@H](Cc1ccccc1O)c1ccc2ccccc2c1 |r|
CN(C)C[C@@H]([C@H](O)c1cccs1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OC)c1ccc2OCOc2c1)c1ccc2ccccc2c1 |r|
NCC(Cc1ccccc1F)c1ccc2ccccc2c1
CNC[C@H](Cc1ccccc1F)c1ccc2ccccc2c1 |r|
CNCC(Cc1ccc(C)s1)c1ccc2ccccc2c1
CNC[C@H](Cc1ccccc1O)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cc(F)cc(F)c1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@H](O)c1cc(F)cc(F)c1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccc2OCCOc2c1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1cccs1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1ccc2OCCOc2c1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](Cl)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Cl)cc1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Br)cc1 |r|
CNC[C@H]([C@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(I)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1I)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccncc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1SC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(OC)n1)c1ccc(Cl)c(Cl)c1 |r|
CCc1ccccc1[C@@H](O)[C@H](CNC)c1ccc(Cl)c(Cl)c1 |r|
CCc1cccc(c1)[C@@H](O)[C@H](CNC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1OC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(SC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1I)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(I)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cncc(OC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(OC)n1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(c1)N(C)C)c1ccc(Cl)c(Cl)c1 |r|
CNCC([C@@H](O)c1ccc(Cl)nc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccnc1OC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](OC)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3
Clc1ccc(cc1Cl)[C@@]12C[C@@H]1CNC2 |r|
CNC[C@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)[C@H]3CNCCO3)C
FC(F)(F)COc1ccc(cn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Clc1ccc(cn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Clc1cc(ccn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
O=C(Nc1ccc(cc1)[C@H]1CNCCO1)c1cnc(s1)-c1ccccc1 |r|
Clc1cc(cc(Cl)n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Cc1c(n[nH]c1-c1ccccc1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Clc1cc(cnc1Cl)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
O=C(Nc1ccc(cc1)[C@H]1CNCCO1)c1ccc(nc1)C#N |r|
FC(F)(F)c1ccc(cn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Clc1ccc(nc1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Clc1cncc(c1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Cc1cc(cc(Cl)n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
O=C(Nc1ccc(cc1)[C@H]1CNCCO1)c1coc(n1)-c1ccccc1 |r|
O=C(Nc1ccc(cc1)[C@H]1CNCCO1)c1csc(n1)-c1ccccc1 |r|
Cc1cc(ccn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Cc1cc(cc(C)n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Cc1nc(cs1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
O=C(Nc1ccc(cc1)[C@H]1CNCCO1)c1ccn(n1)-c1ccccc1 |r|
CCN(CC)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
NCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CCN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CCNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CNCC1(CCCCC1CO)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1(CNC2CC2)CCCCC1
CN(C)CC1(CCCCC1CO)c1ccc(Cl)c(Cl)c1
CC1CCCCC1(CN)c1ccc(Cl)c(Cl)c1
CC1CCCCC1(CN(C)C)c1ccc(Cl)c(Cl)c1
CNCC1(CCCCC1C)c1ccc(Cl)c(Cl)c1
CCNCC1(CCCCC1C)c1ccc(Cl)c(Cl)c1
NCC1(CCCCC1)c1cccc(Cl)c1
NCC1(CCCCC1)c1ccc(Cl)cc1
NCC1(CCCCC1)c1ccc(F)c(F)c1
NCC1(CCCCC1)c1ccccc1
CNCC1(CCCCC1)c1ccccc1
CNCC1(CCCCC1)c1cccc(Cl)c1
CN(C)CC1(CCCCC1)c1ccc(cc1)C(F)(F)F
CN(C)CC1(CCCCC1)c1ccc2OCOc2c1
CNCC1(CCCCC1)c1ccc(cc1)C(F)(F)F
CNCC1(CCCCC1)c1ccc2OCOc2c1
CNCC1(CCCCC1)c1ccc(F)c(F)c1
CNCC1(CCCC1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCC1)c1ccc(Cl)c(Cl)c1
NCC1(CCCCC1)c1ccc(F)c(Cl)c1
NCC1(CCCC1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCCC1)c1cccc(Cl)c1
CN(C)CC1(CCCCC1)c1ccc(F)c(F)c1
NCC1(CCCCC1)c1ccc2ccccc2c1
NCC1(CCCCC1)c1ccc(Cl)c(F)c1
CN(C)CC1(CCCCC1)c1cccc(c1)C(F)(F)F
CN(C)CC1(CCCCC1)c1cccc(F)c1
CNCC1(CCCCC1)c1cccc(c1)C(F)(F)F
CNCC1(CCCCC1)c1cccc(F)c1
NCC1(CCCCC1)c1ccc(cc1)C(F)(F)F
NCC1(CCCCC1)c1ccc2OCOc2c1
NCC1(CCCCC1)c1cccc(c1)C(F)(F)F
NCC1(CCCCC1)c1cccc(F)c1
CNCC1(CCCCC1)c1ccc(Cl)cc1
CN(C)CC1(CCCCC1)c1ccc(Cl)cc1
CNCC1(CCCCC1)c1ccc(F)c(Cl)c1
CN(C)CC1(CCCCC1)c1ccc(F)c(Cl)c1
CNCC1(CCCCC1)c1ccc(Cl)c(F)c1
NCC1(CCCCC1)c1ccc(F)cc1
CNCC1(CCCCC1)c1ccc(F)cc1
CN(C)CC1(CCCCC1)c1ccc(F)cc1
CNCC1(CCCCC1)c1ccc2ccccc2c1
CN(C)CC1(CCCCC1)c1ccc2ccccc2c1
CN(C)CC1(CCCCC1)c1ccc(Cl)c(F)c1
CN(C)CC1(CCCCC1)c1ccccc1
CNCC1(CCCCC1O)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCCC1O)c1ccc(Cl)c(Cl)c1
CNCC1(CCCC1CO)c1ccc(Cl)c(Cl)c1
NCC1(CCC1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCC1)c1ccc(Cl)c(Cl)c1
CN1COC2CCCCC2(C1)c1ccc(Cl)c(Cl)c1
CC(N)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CCNCC1(CCCCC1CO)c1ccc(Cl)c(Cl)c1
CNCC1(CCC1)c1ccc(Cl)c(Cl)c1
NC[C@]1(CCCC[C@H]1O)c1ccc(Cl)c(Cl)c1 |r|
CNC(C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(C)CC(N)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1(CN2CCCCC2)CCCCC1
NCC1(CCCCCC1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1(CN2CCOCC2)CCCCC1
Clc1ccc(cc1Cl)C1(CN2CCCC2)CCCCC1
CN1CCN(CC2(CCCCC2)c2ccc(Cl)c(Cl)c2)CC1
NCC1(CCCC(O)C1)c1ccc(Cl)c(Cl)c1
CNCC1(CCCC(O)C1)c1ccc(Cl)c(Cl)c1
OC1CCCC1NCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
OC1CCCCC1NCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC1CCCN1CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC1CCCN(CC2(CCCCC2)c2ccc(Cl)c(Cl)c2)C1
OC1Cc2ccccc2C1NCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCC(O)C1)c1ccc(Cl)c(Cl)c1
CNC(CC(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(C)CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
NCC1(CCC(O)C1)c1ccc(Cl)c(Cl)c1
CNCC1(CC=CC1)c1ccc(Cl)c(Cl)c1 |c:5|
NCC1(CCC(F)CC1)c1ccc(Cl)c(Cl)c1 |(8.02,-2.95,;6.51,-3.22,;5.98,-4.67,;7.5,-4.94,;8.02,-6.38,;7.03,-7.56,;7.56,-9.01,;5.52,-7.3,;4.99,-5.85,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
CN(C)CC1(CCC(F)CC1)c1ccc(Cl)c(Cl)c1 |(2.1,-8.48,;1.11,-7.3,;-.41,-7.56,;1.64,-5.85,;.65,-4.67,;-.34,-5.85,;-1.86,-5.58,;-2.39,-4.13,;-3.9,-3.87,;-1.4,-2.95,;.12,-3.22,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)|
NCC1(CCC=CC1)c1ccc(Cl)c(Cl)c1 |c:5|
CN(C)CC1(CCC=CC1)c1ccc(Cl)c(Cl)c1 |c:7|
NCC1(CCC(O)CC1)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1)C1(CCCCC1)C(C)N
CNCC1(CCC(O)CC1)c1ccc(Cl)c(Cl)c1 |(6.04,-.6,;5.52,-2.04,;6.51,-3.22,;5.98,-4.67,;7.5,-4.94,;8.02,-6.38,;7.03,-7.56,;7.56,-9.01,;5.52,-7.3,;4.99,-5.85,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
COC1CCC(CN)(CC1)c1ccc(Cl)c(Cl)c1 |(9.08,-9.28,;7.56,-9.01,;7.03,-7.56,;8.02,-6.38,;7.5,-4.94,;5.98,-4.67,;6.51,-3.22,;8.02,-2.95,;4.99,-5.85,;5.52,-7.3,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
COC1CCC(CN(C)C)(CC1)c1ccc(Cl)c(Cl)c1 |(-4.89,-5.05,;-3.9,-3.87,;-2.39,-4.13,;-1.86,-5.58,;-.34,-5.85,;.65,-4.67,;1.64,-5.85,;1.11,-7.3,;2.1,-8.48,;-.41,-7.56,;.12,-3.22,;-1.4,-2.95,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)|
CN(C)CC1(CCC(O)CC1)c1ccc(Cl)c(Cl)c1 |(2.1,-8.48,;1.11,-7.3,;-.41,-7.56,;1.64,-5.85,;.65,-4.67,;-.34,-5.85,;-1.86,-5.58,;-2.39,-4.13,;-3.9,-3.87,;-1.4,-2.95,;.12,-3.22,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)|
CNC(C)C1(CCCCC1)c1ccc(OC)cc1
CNCC1(CCC(CC1)OC)c1ccc(Cl)c(Cl)c1 |(6.04,-.6,;5.52,-2.04,;6.51,-3.22,;5.98,-4.67,;7.5,-4.94,;8.02,-6.38,;7.03,-7.56,;5.52,-7.3,;4.99,-5.85,;7.56,-9.01,;9.08,-9.28,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
CC(N)C1(CCCCC1)c1cccs1
CC(N)C1(CCCCC1)c1ccc(cc1)-c1ccccc1
NCC1(CCC(O)CC1)c1ccc(Cl)c(Cl)c1
NCC1(CCCCC1)c1ccc(cc1)-c1ccccc1
NCC1(CCCCC1)c1cccs1
CNCC1(CCCCC1)c1ccc(cc1)-c1ccccc1
NCC1(CCCCC1)c1ccc(S)cc1
CNCC1(CCC(F)CC1)c1ccc(Cl)c(Cl)c1 |(6.04,-.6,;5.52,-2.04,;6.51,-3.22,;5.98,-4.67,;7.5,-4.94,;8.02,-6.38,;7.03,-7.56,;7.56,-9.01,;5.52,-7.3,;4.99,-5.85,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
CC(N)C1(CCCCC1)c1ccc(Cl)cc1
NCC1(CCC(CC1)Oc1ccccc1)c1ccc(Cl)c(Cl)c1 |(13.08,-3.91,;11.56,-4.18,;11.04,-5.63,;12.55,-5.89,;13.08,-7.34,;12.09,-8.52,;10.57,-8.25,;10.05,-6.8,;12.62,-9.97,;11.63,-11.15,;12.15,-12.59,;11.16,-13.77,;9.65,-13.51,;9.12,-12.06,;10.11,-10.88,;9.7,-4.86,;8.37,-5.63,;7.03,-4.86,;7.03,-3.32,;5.7,-2.55,;8.37,-2.55,;8.37,-1.01,;9.7,-3.32,)|
CN(C)CC1(CCC(CC1)Oc1ccccc1)c1ccc(Cl)c(Cl)c1 |(7.15,-9.43,;6.16,-8.25,;4.65,-8.52,;6.69,-6.8,;5.7,-5.63,;4.71,-6.8,;3.19,-6.54,;2.67,-5.09,;3.66,-3.91,;5.17,-4.18,;1.15,-4.82,;.62,-3.38,;-.89,-3.11,;-1.42,-1.66,;-.43,-.48,;1.09,-.75,;1.61,-2.2,;7.03,-4.86,;8.37,-5.63,;9.7,-4.86,;9.7,-3.32,;11.04,-2.55,;8.37,-2.55,;8.37,-1.01,;7.03,-3.32,)|
NCC1(CCCCC1)c1cccc2ccccc12
CNCC1(CCCCC1)c1cccc2ccccc12
CNC(C)C1(CCCCC1)c1cccs1
CNC(C)C1(CCCCC1)c1ccc(Cl)cc1
CNCC1(CCCCC1OC)c1ccc(Cl)c(Cl)c1
CC(C)C(N)C1(CCCCC1)c1ccc(Cl)cc1
NCC1(CCC(F)(F)CC1)c1ccc(Cl)c(Cl)c1
CNCC1(CCC(F)(F)CC1)c1ccc(Cl)c(Cl)c1
CNC(=O)C1(CCCCC1O)c1ccc2ccccc2c1
COC1CCCCC1(CN(C)C)c1ccc(Cl)c(Cl)c1
CSc1ccc(cc1)C1(CN(C)C)CCCCC1
CC(N)C1(CCCCC1)c1ccc2ccccc2c1
CO[C@@H]1CCC[C@@](C1)(C#N)c1ccc(Cl)c(Cl)c1 |r|
CNCC1(CCCC(C1)OC)c1ccc(Cl)c(Cl)c1
COC1CCCC(CN(C)C)(C1)c1ccc(Cl)c(Cl)c1
NC[C@]1(CCC[C@H](C1)C(O)=O)c1ccc(Cl)c(Cl)c1 |r|
NCC1(CCCC(F)(F)C1)c1ccc(Cl)c(Cl)c1
CNCC1(CCCC(F)(F)C1)c1ccc(Cl)c(Cl)c1
CNC[C@]1(CCCC[C@H]1O)c1ccc2ccccc2c1 |r|
CNC[C@@]1(CCCC[C@@H]1O)c1ccc2ccccc2c1 |r|
NCC1(CCCCC1)c1ccc(OC(F)F)cc1
CN(C)CC1(CCCC(F)(F)C1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCCC1O)c1ccc2ccccc2c1
CN(C)CC1(CCCCC1)c1cccc2ccccc12
CNC(C(C)C)C1(CCCCC1)c1ccc(Cl)cc1
CC(N(C)C)C1(CCCCC1)c1ccc2ccccc2c1
CO[C@@H]1CCC[C@](C1)(C#N)c1ccc(Cl)c(Cl)c1 |r|
CNCC1(CCC2(CC1)OCCO2)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCC2(CC1)OCCO2)c1ccc(Cl)c(Cl)c1
CNCC1(CCC(=O)CC1)c1ccc(Cl)c(Cl)c1
CCN(C)C1CCC(CN)(CC1)c1ccc(Cl)c(Cl)c1
CCC(N)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(N)C1(CCCCC1)c1cccc2ccccc12
CCC(N)C1(CCCCC1)c1ccc(Cl)cc1
CC(N)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1
CNC(C)C1(CCCCC1)c1ccc2ccccc2c1
CC1(O)CCC(CN)(CC1)c1ccc(Cl)c(Cl)c1 |(1.6,-6.39,;2.32,-5.03,;3.05,-6.39,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;1.33,-.77,;-.18,-1.04,;.99,-2.72,;.99,-4.26,;3.31,-.77,;4.83,-1.04,;5.82,.14,;5.29,1.59,;6.28,2.77,;3.78,1.86,;3.25,3.3,;2.79,.68,)|
CNCC1(CCC(C)(O)CC1)c1ccc(Cl)c(Cl)c1 |(6.04,-.6,;5.52,-2.04,;6.51,-3.22,;5.98,-4.67,;7.5,-4.94,;8.02,-6.38,;7.03,-7.56,;6.82,-9.09,;8.18,-8.59,;5.52,-7.3,;4.99,-5.85,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
CNCC1(CCCCC1O)c1ccc(OC)cc1
CC(N)C1(CCCCC1)c1ccc(cc1)-c1ccoc1
CC(C)CC(N)C1(CCCCC1)c1ccc(Cl)cc1
NCC1(CCC(O)CC1)c1ccc2ccccc2c1 |(.46,2.63,;.99,1.18,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.55,-.8,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CC1(O)CCC(CN)(CC1)c1ccc2ccccc2c1 |(-4.5,-.06,;-3.03,-.53,;-4.25,-1.48,;-2.04,-1.71,;-.53,-1.45,;;.99,1.18,;.46,2.63,;-.99,1.18,;-2.51,.91,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CNCC1(CCC(C)(O)CC1)c1ccc2ccccc2c1 |(-2.55,-1.72,;-1.17,-2.4,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-3.1,3.09,;-1.42,4.14,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CN(C)CC1(CCC(C)(O)CC1)c1ccc2ccccc2c1 |(1.45,3.81,;.46,2.63,;-1.05,2.89,;.99,1.18,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.5,-.06,;-4.25,-1.48,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CC(N)C1(CCCCC1)c1ccc(cc1)-c1ccco1
COc1ccc(cc1)C1(CN(C)C)CCCCC1O
CNCC1(CCCCC1O)c1ccc(Cl)cc1
CNCC1(CCCCC1O)c1cccc(Cl)c1
CC1(O)CCCC(CN)(C1)c1ccc(Cl)c(Cl)c1
CNCC1(CCCC(C)(O)C1)c1ccc(Cl)c(Cl)c1
CN(C)CC1(CCCC(C)(O)C1)c1ccc(Cl)c(Cl)c1
NCC1(CCCCC1)c1ccc(cc1)-c1cc(F)cc(F)c1
CNCC1(CCC(O)CC1)c1ccc2ccccc2c1 |(1.45,3.81,;.46,2.63,;.99,1.18,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.55,-.8,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CN(C)CC1(CCC(O)CC1)c1ccc2ccccc2c1 |(1.45,3.81,;.46,2.63,;-1.05,2.89,;.99,1.18,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.55,-.8,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CN(C)CC1(CCCCC1O)c1ccc(Cl)cc1
NCC1(CCC(Cl)CC1)c1ccc2ccccc2c1 |(-1.17,-2.4,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-2.45,3.92,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CN(C)CC1(CCC(Cl)CC1)c1ccc2ccccc2c1 |(-1.06,-3.93,;-1.17,-2.4,;-2.55,-1.72,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-2.45,3.92,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CNC(C)C1(CCC(O)CC1)c1ccc2ccccc2c1 |(2.88,2.89,;1.49,2.21,;1.38,.68,;2.92,.73,;;-.82,-1.31,;-2.36,-1.25,;-3.08,.11,;-4.62,.16,;-2.26,1.41,;-.72,1.36,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
NCC1(CCC=CC1)c1ccc2ccccc2c1 |c:5|
NCC1(CCC(F)CC1)c1ccc2ccccc2c1 |(-1.17,-2.4,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-2.45,3.92,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CC(N(C)C)C1(CCCCC1)c1cccc2ccccc12
CCC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CNC(C)C1(CCCCC1)c1cccc2ccccc12
CN(C)CC1(CCC=CC1)c1ccc2ccccc2c1 |c:7|
CNCC1(CCC(F)CC1)c1ccc2ccccc2c1 |(-2.55,-1.72,;-1.17,-2.4,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-2.45,3.92,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CN(C)CC1(CCC(F)CC1)c1ccc2ccccc2c1 |(-1.06,-3.93,;-1.17,-2.4,;-2.55,-1.72,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-2.45,3.92,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CCC(NC)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(N(C)C)C1(CCC(C)(O)CC1)c1ccc2ccccc2c1 |(2.51,.91,;.99,1.18,;.46,2.63,;1.45,3.81,;-1.05,2.89,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.5,-.06,;-4.25,-1.48,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CC(N(C)C)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1
CNC(C)C1(CCCCC1)c1ccc(OC(F)(F)F)cc1
CNCC1(CCC=CC1)c1ccc2ccccc2c1 |c:6|
NCC1(CCCCC1)c1ccc(Cl)cc1Cl
CNCC1(CCCCC1)c1ccc(Cl)cc1Cl
CN(C)CC1(CCCCC1)c1ccc(Cl)cc1Cl
CCC1(O)CCC(CN)(CC1)c1ccc(Cl)c(Cl)c1 |(2.42,-7.7,;1.6,-6.39,;2.32,-5.03,;3.05,-6.39,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;1.33,-.77,;-.18,-1.04,;.99,-2.72,;.99,-4.26,;3.31,-.77,;4.83,-1.04,;5.82,.14,;5.29,1.59,;6.28,2.77,;3.78,1.86,;3.25,3.3,;2.79,.68,)|
CCC1(O)CCC(CNC)(CC1)c1ccc(Cl)c(Cl)c1 |(8.03,-10.04,;6.82,-9.09,;7.03,-7.56,;8.18,-8.59,;8.02,-6.38,;7.5,-4.94,;5.98,-4.67,;6.51,-3.22,;5.52,-2.04,;6.04,-.6,;4.99,-5.85,;5.52,-7.3,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
CCC1(O)CCC(CN(C)C)(CC1)c1ccc(Cl)c(Cl)c1 |(-5.03,-3.76,;-3.6,-3.19,;-2.39,-4.13,;-3.85,-4.61,;-1.86,-5.58,;-.34,-5.85,;.65,-4.67,;1.64,-5.85,;1.11,-7.3,;2.1,-8.48,;-.41,-7.56,;.12,-3.22,;-1.4,-2.95,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)|
CCCCC(N)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CCCCCCC(N)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
NCC1(CCC(O)CC1)c1ccc2OCOc2c1 |(4.73,-1.32,;4.21,.12,;5.2,1.3,;5.72,2.75,;7.24,3.02,;8.23,1.84,;9.75,2.11,;7.7,.39,;6.19,.12,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,)|
CNCC1(CCC(O)CC1)c1ccc2OCOc2c1 |(5.26,1.23,;4.73,-.22,;5.72,-1.4,;5.2,-2.84,;6.71,-3.11,;7.24,-4.56,;6.25,-5.74,;6.78,-7.18,;4.73,-5.47,;4.21,-4.02,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,)|
CN(C)CC1(CCC(O)CC1)c1ccc2OCOc2c1 |(7.77,.32,;7.24,-1.13,;8.23,-2.31,;5.72,-1.4,;5.2,-2.84,;6.71,-3.11,;7.24,-4.56,;6.25,-5.74,;6.78,-7.18,;4.73,-5.47,;4.21,-4.02,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,)|
CC1(O)CCC(CN)(CC1)c1ccc2OCOc2c1 |(9.7,1.36,;8.23,1.84,;9.44,2.79,;7.24,3.02,;5.72,2.75,;5.2,1.3,;4.21,.12,;4.73,-1.32,;6.19,.12,;7.7,.39,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,)|
CNCC1(CCC(C)(O)CC1)c1ccc2OCOc2c1 |(5.26,1.23,;4.73,-.22,;5.72,-1.4,;5.2,-2.84,;6.71,-3.11,;7.24,-4.56,;6.25,-5.74,;6.04,-7.26,;7.4,-6.77,;4.73,-5.47,;4.21,-4.02,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,)|
CN(C)CC1(CCC(C)(O)CC1)c1ccc2OCOc2c1 |(7.77,.32,;7.24,-1.13,;8.23,-2.31,;5.72,-1.4,;5.2,-2.84,;6.71,-3.11,;7.24,-4.56,;6.25,-5.74,;6.04,-7.26,;7.4,-6.77,;4.73,-5.47,;4.21,-4.02,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,)|
NCC1(CCCCC1)c1ccc2cc(F)ccc2c1
CNCC1(CCCCC1)c1ccc2cc(F)ccc2c1
CN(C)CC1(CCCCC1)c1ccc2cc(F)ccc2c1
CN1Cc2c3OCOc3ccc2C2(CCC(C)(O)CC2)C1 |(7.43,4.91,;7.61,3.38,;9.03,2.77,;9.21,1.24,;10.63,.64,;12.03,1.29,;13.08,.16,;12.33,-1.19,;10.82,-.89,;9.58,-1.82,;8.17,-1.21,;7.98,.32,;6.57,.92,;5.15,1.53,;3.92,.6,;4.1,-.92,;3.75,-2.42,;2.56,-.84,;5.52,-1.53,;6.75,-.6,;6.38,2.45,)|
NCC1(CCC(O)(CF)CC1)c1ccc2ccccc2c1 |(.46,2.63,;.99,1.18,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.25,-1.48,;-4.5,-.06,;-5.64,-1.09,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CNCC1(CCC(O)(CF)CC1)c1ccc2ccccc2c1 |(-2.55,-1.72,;-1.17,-2.4,;.11,-1.54,;;.72,1.36,;-.09,2.67,;-1.63,2.61,;-1.42,4.14,;-3.1,3.09,;-3.42,4.59,;-2.36,1.25,;-1.54,-.05,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CN(C)CC1(CCC(O)(CF)CC1)c1ccc2ccccc2c1 |(1.45,3.81,;.46,2.63,;-1.05,2.89,;.99,1.18,;;-.53,-1.45,;-2.04,-1.71,;-3.03,-.53,;-4.25,-1.48,;-4.5,-.06,;-5.64,-1.09,;-2.51,.91,;-.99,1.18,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,)|
CC(N)C1(CCCCC1)c1ccc(cc1)-c1nccs1
CNCC1(CCCCC1O)c1ccc(Cl)c(F)c1
NCC1(CCCCC1)c1ccc(F)c2ccccc12
CNCC1(CCCCC1)c1ccc(F)c2ccccc12
CN(C)CC1(CCCCC1)c1ccc(F)c2ccccc12
CN(C)CC1(CCCCC1O)c1ccc(Cl)c(F)c1
CNCC1(CCCCC1O)c1ccc(OC(F)(F)F)cc1
CC1(O)CCC(CN)(CC1)c1ccc(OC(F)(F)F)cc1 |(1.6,-6.39,;2.32,-5.03,;3.05,-6.39,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;1.33,-.77,;-.18,-1.04,;.99,-2.72,;.99,-4.26,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;6.28,2.77,;5.76,4.22,;5.23,5.66,;7.2,4.74,;4.31,3.69,;5.82,.14,;4.83,-1.04,)|
CNCC1(CCC(C)(O)CC1)c1ccc(OC(F)(F)F)cc1 |(-2.47,-5.32,;-1.65,-6.62,;-.11,-6.57,;.61,-5.21,;1.94,-4.44,;1.94,-2.9,;.61,-2.13,;-.38,-.95,;1.6,-.95,;-.72,-2.9,;-.72,-4.44,;1.33,-6.57,;2.87,-6.62,;3.6,-7.98,;2.78,-9.29,;3.5,-10.65,;5.04,-10.7,;6.58,-10.76,;4.99,-12.24,;5.1,-9.16,;1.24,-9.24,;.52,-7.88,)|
CN(C)CC1(CCC(C)(O)CC1)c1ccc(OC(F)(F)F)cc1 |(-1.17,.14,;-.18,-1.04,;-.71,-2.48,;1.33,-.77,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;1.6,-6.39,;3.05,-6.39,;.99,-4.26,;.99,-2.72,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;6.28,2.77,;5.76,4.22,;5.23,5.66,;7.2,4.74,;4.31,3.69,;5.82,.14,;4.83,-1.04,)|
NCC1(CCC(O)CC1)c1ccc(OC(F)(F)F)cc1
CNCC1(CCC(O)CC1)c1ccc(OC(F)(F)F)cc1
CN(C)CC1(CCC(O)CC1)c1ccc(OC(F)(F)F)cc1
CCCC1(O)CCC(CN)(CC1)c1ccc(Cl)c(Cl)c1 |(1.69,-9.06,;2.42,-7.7,;1.6,-6.39,;2.32,-5.03,;3.05,-6.39,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;1.33,-.77,;-.18,-1.04,;.99,-2.72,;.99,-4.26,;3.31,-.77,;4.83,-1.04,;5.82,.14,;5.29,1.59,;6.28,2.77,;3.78,1.86,;3.25,3.3,;2.79,.68,)|
CCCC1(O)CCC(CNC)(CC1)c1ccc(Cl)c(Cl)c1 |(5.18,-11.19,;5.39,-9.67,;6.82,-9.09,;7.03,-7.56,;8.18,-8.59,;8.02,-6.38,;7.5,-4.94,;5.98,-4.67,;6.51,-3.22,;5.52,-2.04,;6.04,-.6,;4.99,-5.85,;5.52,-7.3,;4.65,-3.9,;3.31,-4.67,;1.98,-3.9,;1.98,-2.36,;.65,-1.59,;3.31,-1.59,;3.31,-.05,;4.65,-2.36,)|
CCCC1(O)CCC(CN(C)C)(CC1)c1ccc(Cl)c(Cl)c1 |(-4.6,-.71,;-3.39,-1.66,;-3.6,-3.19,;-2.39,-4.13,;-3.85,-4.61,;-1.86,-5.58,;-.34,-5.85,;.65,-4.67,;1.64,-5.85,;1.11,-7.3,;2.1,-8.48,;-.41,-7.56,;.12,-3.22,;-1.4,-2.95,;1.98,-3.9,;3.31,-4.67,;4.65,-3.9,;4.65,-2.36,;5.98,-1.59,;3.31,-1.59,;3.31,-.05,;1.98,-2.36,)|
CN(C)CC1(CCCCC1O)c1ccc(OC(F)(F)F)cc1
NCC1(CCC(F)(F)CC1)c1ccc2ccccc2c1
CNCC1(CCC(F)(F)CC1)c1ccc2ccccc2c1
CN(C)CC1(CCC(F)(F)CC1)c1ccc2ccccc2c1
CNCC1(CCCCC1O)c1ccc(cc1)C(F)(F)F
CN(C)CC1(CCCCC1O)c1ccc(cc1)C(F)(F)F
Clc1ccc(cc1Cl)C1(CCCCC1)C1CCCN1
C1CNC(C1)C1(CCCCC1)c1ccc2ccccc2c1
Fc1cccc(OC2CNC2)c1F
Clc1ccc(OC2CNC2)cc1Cl
O=C(CSC(c1ccccc1)c1ccccc1)NCC1CC1
Fc1ccc(cc1)C(SCC(=O)NCC1CC1)c1ccc(F)cc1
Clc1ccc(cc1)C(SCC(=O)NCC1CC1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(Cl)cc1
C(CSC(c1ccccc1)c1ccccc1)NCC1CC1
O=C(CS(=O)C(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
Brc1ccc(cc1)C(SCC(=O)NCC1CC1)c1ccc(Br)cc1
O=S(CCNCCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCNCCN1CCN(CCCc2ccccc2)CC1
CC(Cc1ccccc1)NCCc1ccccc1
CC(Cc1ccccc1)N(C)CCc1ccccc1
CC(Cc1ccc(Br)cc1)NCCc1ccccc1
CC(Cc1ccccc1)NCCCc1ccccc1
C[C@H](Cc1ccccc1)NCCCc1ccccc1
C[C@@H](Cc1ccccc1)NCCCc1ccccc1
CC(Cc1ccccc1)N(C)CCCc1ccccc1
COc1ccc(CCCNC(C)Cc2ccccc2)cc1
COc1ccc(CCCN[C@H](C)Cc2ccccc2)cc1 |r|
COc1ccc(CCCN[C@@H](C)Cc2ccccc2)cc1 |r|
CC(Cc1ccc(Br)cc1)NCCCc1ccccc1
C[C@H](Cc1ccc(Br)cc1)NCCCc1ccccc1 |r|
C[C@@H](Cc1ccc(Br)cc1)NCCCc1ccccc1 |r|
CC(Cc1ccc(Br)cc1)NCCCCc1ccccc1
CC(Cc1ccccc1)NCCCCc1ccccc1
COc1ccc(CCCNC(C)Cc2ccc(Br)cc2)cc1
CC(Cc1ccccc1)NCCCCCc1ccccc1
CC(Cc1ccccc1)NCCCCCCc1ccccc1
CC(Cc1ccccc1)NCCOc1ccccc1
CC(Cc1ccc(Br)cc1)NCCOc1ccccc1
CC(Cc1ccccc1)NCCc1ccc(O)cc1
CC(Cc1ccccc1)NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
CC(Cc1ccccc1)NCCc1ccc(O)c(O)c1
COc1ccc(CC(C)NCCc2ccccc2)cc1
COc1ccc(CC(C)N(C)CCc2ccccc2)cc1
COc1ccc(CC(C)NCCCc2ccccc2)cc1
COc1ccc(C[C@@H](C)NCCCc2ccccc2)cc1 |r|
COc1ccc(C[C@H](C)NCCCc2ccccc2)cc1 |r|
COc1ccc(CCCNC(C)Cc2ccc(OC)cc2)cc1
COc1ccc(CC(C)N(C)CCCc2ccccc2)cc1
COc1ccc(CCC(C)NCCc2ccccc2)cc1
COc1ccc(CCC(C)NCCCc2ccccc2)cc1
COc1ccc(CCNC(C)CCc2ccc(OC)cc2)cc1
COc1ccc(CCC(C)NCCc2ccc(Br)cc2)cc1
CC(Cc1ccc(O)cc1)NCCc1ccccc1
COc1ccc(CCCNC(C)Cc2ccc(O)cc2)cc1
CC(Cc1ccc(O)cc1)NCCCc1ccccc1
CC(Cc1ccc(F)cc1)NCCc1ccccc1
CC(Cc1ccc(F)cc1)NCCCc1ccccc1
COc1ccc(CCCNC(C)Cc2ccc(F)cc2)cc1
CC(Cc1ccc(cc1)[N+]([O-])=O)NCCc1ccccc1
CC(Cc1ccc(cc1)[N+]([O-])=O)NCCCc1ccccc1
COc1ccc(CCCNC(C)Cc2ccc(cc2)[N+]([O-])=O)cc1
CC(Cc1ccc(N)cc1)NCCc1ccccc1
CC(Cc1ccc(N)cc1)NCCCc1ccccc1
COc1ccc(CC(C)NCCCc2ccccc2)cc1OC
COc1ccc(CC(C)NCCCCc2ccccc2)cc1OC
CC(CCc1ccccc1)NCCc1ccccc1
CC(CCc1ccccc1)N(C)CCc1ccccc1
CC(CCc1ccccc1)NCCCc1ccccc1
CC(CCc1ccccc1)N(C)CCCc1ccccc1
COc1ccc(CCCNC(C)CCc2ccccc2)cc1
COc1ccc(CCCNC(C)CCc2ccc(OC)cc2)cc1
CC(Cc1ccc(cc1)C(F)(F)F)NCCCc1ccc(N)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc2[nH]ccc2c1
COc1ccc(CC(C)NCCCc2ccc(N)cc2)cc1
COc1ccc(CC(C)NCCCc2ccc(cc2)[N+]([O-])=O)cc1
CC(Cc1ccc(F)c(F)c1)NCCCc1ccc(cc1)[N+]([O-])=O
CC(Cc1ccc(F)c(F)c1)NCCCc1ccc(N)cc1
CC(Cc1ccc(Cl)cc1)NCCCc1ccc(N)cc1
CC(Cc1ccc(Cl)cc1)NCCCc1ccc(cc1)[N+]([O-])=O
CC(C)Nc1ccc(CCCNC(C)Cc2ccc(F)cc2)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(NC(C)=O)cc1
FCC(Cc1ccc(cc1)-c1cncnc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(NC=O)cc1
FCC(Cc1ccc(NC=O)cc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(NC=O)cc1)N(CCCc1ccc(F)cc1)C=O
CC(Cc1ccc(NC=O)cc1)N(CCCc1ccccc1)C=O
CC(Cc1ccc(NC=O)cc1)NCCCc1ccccc1
Nc1ccc(CC(CF)NCCCc2ccc(F)cc2)cc1
FC(F)C(Cc1ccc(F)cc1)NCCCc1ccc(F)cc1
FCC(Cc1ccc(cc1)-c1cccnc1)NCCCc1ccc(F)cc1
FCC(Cc1ccc(Br)cc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(NC=O)cc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(F)cc1)NCCCc1c[nH]c2ccccc12
CC(Cc1ccc(F)cc1)NCCCc1ccc(NC2CCC2)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(N)cc1
CC(Cc1ccc(F)c(F)c1)NCCCc1ccncc1
FCC(Cc1ccccc1)NCCCc1ccccc1
FCC(Cc1ccc(F)cc1)NCCCc1ccccc1
FCC(Cc1ccccc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(N)cc1)NCCCc1ccncc1
Nc1ccc(CCCNC(CF)Cc2ccc(F)cc2)cc1
CC(Cc1ccc(N)cc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(cc1)[N+]([O-])=O)NCCCc1ccncc1
CC(Cc1ccc(cc1)[N+]([O-])=O)NCCCc1ccc(F)cc1
CC(Cc1ccc(cc1)[N+]([O-])=O)NCCCc1ccc(Br)cc1
O=[N+]([O-])c2ccc(CCCNC(CF)Cc1ccc(F)cc1)cc2
CC(Cc1ccc(cc1)[N+]([O-])=O)NCCCc1ccc(Cl)cc1
OCC(Cc1ccc(F)cc1)NCCCc1ccncc1
OCC(Cc1ccc(F)cc1)NCCCn1cccn1
CC(Cc1ccc(F)cc1)NCCCn1cccn1
CC(Cc1ccc(F)cc1)NCCCn1ccnc1
CC(C)C(Cc1ccc(F)cc1)NCCCc1ccccc1
CS(=O)(=O)c1ccc(CCCNC(CF)Cc2ccc(F)cc2)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(cc1)S(C)(=O)=O
CC(C)C(Cc1ccc(F)cc1)NCCCc1ccc(Br)cc1
FCC(Cc1ccc(F)cc1)NCCCc1ccncc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(cc1)S(C)=O
CC(Cc1ccc(F)cc1)NCCCc1ccc(Br)cc1
OCC(Cc1ccc(F)cc1)NCCCc1ccc(F)cc1
FCC(Cc1ccc(F)cc1)NCCCc1ccnc2ccccc12
FCC(Cc1ccc(F)cc1)NCCCc1ccc(Cl)cc1
FCC(Cc1ccc(F)cc1)NCCCc1ccc(F)cc1
OCC(Cc1ccc(F)cc1)NCCCc1ccc(Br)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(cc1)N(C)C
CCOC(=O)c1ccc(CCCNC(C)Cc2ccc(F)cc2)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(cc1)[N+]([O-])=O
CC(Cc1ccc(F)cc1)NCCCc1ccnc2ccccc12
CC(Cc1ccc(cc1)C(F)(F)F)NCCCc1ccncc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(cc1)-c1ccnn1C
CC(Cc1ccncc1)NCCCc1ccc(Br)cc1
CC(Cc1ccc(cc1)-c1cncnc1)NCCCc1ccc(Cl)cc1
COc1ccc(CCCNC(C)Cc2ccncc2)cc1
CC(Cc1ccc(Br)cc1)NCCCc1ccncc1
CC(Cc1ccc(F)cc1)NCCCc1ccncc1
CC(Cc1ccncc1)NCCCc1ccc(O)cc1
CC(Cc1ccc(Br)cc1)NCCCc1ccc(I)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(I)cc1
CC(Cc1ccc(Br)cc1)NCCCc1ccc(Cl)cc1
CC(Cc1ccncc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(Cl)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(cc1)-c1cccnc1)NCCCc1ccc(F)cc1
CC(Cc1ccccc1)NCCCc1ccc(cc1)C(F)(F)F
CC(Cc1ccc(cc1)-c1cncnc1)NCCCc1ccc(F)cc1
COc1ccc(CCC(C)NC(C)Cc2ccccc2)cc1
CC(Cc1ccc(Br)cc1)NCCCc1ccc(F)cc1
CC(Cc1ccccc1)NCCCc1ccc(cc1)-c1cncnc1
CC(Cc1ccccc1)NCCCc1ccncc1
CC(Cc1ccccc1)NCCCc1ccc(cc1)-c1cccs1
CCC(Cc1ccccc1)NCCCc1ccc(O)cc1
CC(Cc1ccc(cc1)C(F)(F)F)NCCCc1ccc(O)cc1
CC(Cc1ccccc1)NCCCc1ccc(cc1)-c1cccnc1
CC(Cc1ccccc1)NCCCc1ccc(I)cc1
CC(Cc1ccccc1)NCCCc1ccc(S)cc1
CC(Cc1ccccc1)NCCCc1ccc(Br)cc1
CC(Cc1ccccc1)NCCCc1ccc(N)cc1
CC(Cc1ccccc1)NCCCc1ccc(cc1)[N+]([O-])=O
CC(Cc1ccccc1)NCCCc1ccc(O)cc1
CC(Cc1ccccc1)N(CCCc1ccc(O)cc1)CCCc1ccc(O)cc1
CNC(C)C(=O)c1ccc2OCOc2c1
CN[C@H](C)C(=O)c1ccc2OCOc2c1 |r|
CN[C@@H](C)C(=O)c1ccc2OCOc2c1 |r|
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
CNC(C)Cc1ccc2c(c1)OCO2
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
CCc1cc(OC)c(CCN)cc1OC
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
CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
NCCc1c2CCOc2c(Br)c2CCOc12
COc1cc(CC(C)N)c(OC)cc1C
COc1cc(CC(C)N)cc(OC)c1OC
CCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(OC)c(OC)cc1CC(C)N
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
C[C@@H]1C[C@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
CC(N)Cc1ccc2occ(F)c2c1
CNC(C)Cc1ccc2occ(F)c2c1
COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:12:10:1:4.3,0:1:6.10.11:4.3|
CC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:9:8:16:4.5,THB:1:2:16:4.5,17:16:8.2.7:4.5|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)C(F)(F)F |TLB:16:6:1:4.3,THB:0:1:6.7.8:4.3,9:7:1:4.3|
CN1C2CCC1[C@H](C(O)C(F)(F)F)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:0:1:6.13.14:4.3,15:13:1:4.3|
CN1C2CCC1[C@@H](C=C)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:11:9:1:4.3,0:1:6.9.10:4.3|
COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
[H][C@@]1(CC2CCC([C@@H]1C=CCl)N2C)c1ccc(Cl)cc1 |TLB:13:1:11:5.4,THB:8:7:11:5.4,12:11:7.1.2:5.4|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCc1ccc(N)cc1 |TLB:9:7:25:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCc1ccccc1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCc1ccc(cc1)[N+]([O-])=O |TLB:9:7:25:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCc1ccc(N=[N+]=[N-])c(I)c1 |TLB:9:7:25:3.2|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CCCN1C(=O)c2ccccc2C1=O |r,THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(C)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(O)cc1 |r|
CN1[C@@H]2CCC1C(C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3|
[H][C@@]12CC[C@@]([H])(C(C(C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
[H][C@@]12CC[C@@]([H])([C@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
COC(=O)C1C2CCC(C[C@@H]1OC(=O)c1ccccc1I)N2C |THB:11:10:21:6.7,2:4:21:6.7,22:21:4.10.9:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:6.7:20,THB:2:4:6.7:20|
COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7|
CN1CC[C@@H]([C@H](CCCN2CCS[Re]3(=O)SCCN3C(=O)C2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CCCN2CCS[Re]3(=O)SCCN3CC2)C1)c1ccc(Cl)cc1
CN1C2CCC1C([C@@H](C2)c1ccc(F)cc1)c1ccc(F)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCC(c1ccccc1)c1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2Cc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
CN1C2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3,0:1:7.6.8:4.3|
Fc1ccc(OCCN2C3CCC2C([C@@H](C3)c2ccc(F)cc2)c2ccc(F)cc2)cc1 |TLB:23:13:8:11.10,THB:16:14:8:11.10|
Cc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccccc1)N2CCc1ccccc1 |TLB:4:7:20:11.10,THB:14:13:20:11.10|
Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCCCc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
COC(=O)C1=C(CC2CCC1O2)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:5:11:9.8,2:4:11:9.8|
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)O2 |THB:11:10:19:6.7,2:4:19:6.7|
CCCC1C2[C@@H](F)CC(CC1c1ccc(F)cc1)N2C |THB:11:10:18:5.7,6:5:18:3.10.9,2:3:18:5.7|
CCCC1C2[C@H](F)CC(CC1c1ccc(F)cc1)N2C |THB:11:10:18:5.7,6:5:18:3.10.9,2:3:18:5.7|
CCCC1C2N(C)C(CC2(F)F)CC1c1ccc(F)cc1 |TLB:14:13:5:9.8,2:3:5:9.8|
CO\N=C1/CN2CC1[C@@H](CC2)c1ccc(Cl)cc1 |TLB:11:8:6:3.4|
CO\N=C1/CN2CC1[C@H](CC2)c1ccc(Cl)cc1
CO\N=C1\CN2CC1[C@@H](CC2)c1ccc(Cl)cc1
CN1CCC(C(C1)C(=O)OCCCc1ccccc1)c1ccc(Cl)cc1
COC(=O)C1CN(C)CCC1c1ccc(Cl)cc1
Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCCCc1ccccc1 |TLB:15:13:11:7.8.9,THB:4:7:11:13.14|
CN1CCC(C(C1)C(=O)OCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCc1ccccc1 |TLB:15:13:11:7.8.9,THB:4:7:11:13.14|
CC(C)(C)O\N=C1/CN2CC1[C@@H](CC2)c1ccc(Cl)cc1 |TLB:14:11:9:6.7,THB:5:6:9:11.12.13|
COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
[H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2|
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
[H][C@@]12CCC(C([C@@H](C1)c1ccc(Br)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19|
[H][C@@]12CCC([C@H]([C@H](C1)c1ccc(N)cc1)C(=O)OC)N2C |r,THB:15:5:19:3.2|
CN1CC[C@H]([C@@H](C1)c1nc(no1)-c1ccc(Br)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)c1nc(C)no1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccc(Cl)cc1)c1ccc(Cl)cc1
CC(C)c1noc(n1)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(no1)-c1ccc2OCOc2c1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccc2OCOc2c1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(no1)-c1ccc(Cl)cc1)c1ccc(Cl)cc1
CC(C)c1noc(n1)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1
CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccn1
Cc1ccc(cc1)-c1csc(=N)n1-c1ccc(Cl)cc1
Cc1cc(ccc1Cl)-c1csc(=N)n1-c1ccc(Cl)cc1
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)C(C\C=C\I)C\C=C\I |r,TLB:0:1:6.7.8:4.3,16:6:1:4.3|
CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:30:29:6.12.11:8.9,13:12:29:8.9,THB:4:6:29:8.9|
CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3,25:6:1:4.3,THB:9:7:1:4.3|
CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:5.11.10:7.8,12:11:28:7.8,THB:3:5:28:7.8|
COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:23:25:39:27.28|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:28:30:44:32.33|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:26:28:42:30.31|
CN(C)CC1C2CCC(C2)C1c1cccc2ccccc12
CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1
CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1
CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
COC(=O)C1C2CCC(CC1c1ccc(C(C)=O)c(c1)C(C)=O)N2C |TLB:11:10:23:6.7,THB:2:4:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(O)c(O)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(OC)c(OC)c1)N2C |TLB:11:10:21:6.7,THB:2:4:21:6.7|
c1ccc(cc1)Cc2ccncc2
c1ccc(cc1)C(c1ccccc1)c1ccccn1
c1ccc(cc1)C(c1ccccc1)c1ccncc1
c1ccc(cc1)C(c1ccccc1)c1cccnc1
C(C(c1ccccc1)c1ccncc1)c1ccccc1
[H][C@]12CC[C@]([H])(C[C@H](CCOC(c3ccccc3)c3ccccc3)C1)N2C |TLB:8:7:25:2.3|
[H][C@]12CC[C@]([H])(C[C@H](CCOC(c3ccccc3)c3ccccc3)C1)N2CCCc1ccccc1 |TLB:8:7:25:2.3|
[H][C@]12CC[C@]([H])(C[C@H](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)C1)N2CCCc1ccccc1 |TLB:8:7:27:2.3|
COC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:13:8:11:4.5,THB:2:4:11:9.7.8|
CN1C2C[C@@H](C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Oc1ccccc1 |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|
CN1C2C[C@@H](C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccccc1 |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|
COS(=O)(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:9:12:5.6,THB:2:5:12:10.8.9|
Fc1ccc(cc1)C(O[C@H]1CC2C[C@@H](C(C1)N2)C(=O)Oc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:13.12,THB:17:13:16:15.9.10|
CCOC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:9:12:5.6,THB:3:5:12:10.8.9|
CC(C)OC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:15:10:13:6.7,THB:4:6:13:11.9.10|
CN1C2C[C@@H](C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|
CC(C)COC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:16:11:14:7.8,THB:5:7:14:12.10.11|
[H][C@@](CCNC)(Oc1cccc2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(OC)ccc12)c1cccs1
[H][C@@](CCNC)(Oc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c2ccccc12)c1cccs1
[H][C@@](CCNC)(Oc1cccc2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc12)c1cccs1
[H][C@@](CCNC)(Oc1cccc2cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc12)c1cccs1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc2cc(C)ccc2c1
COC(=O)[C@@H]([C@H]1CCC[NH2+]1)c1ccccc1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc2cc(Br)ccc2c1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1
CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1C[C@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1C[C@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
CN[C@H]1C[C@@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Fc1ccc(cc1)C1CC(N2CCN(C\C=C\c3ccccc3)CC2)c2cc(F)ccc12
CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
CN[C@H]1CC[C@@H](c2ccccc2)c2ccccc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(c2)C(F)(F)F)c2ccccc12
CN[C@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Clc1ccc(cc1Cl)C1CN2CCC[C@H]2c2ccccc12
[H][C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21 |r|
C1C(c2ccccc2)c2ccccc2C2CCCCCN12
COc1ccc(cc1OC)C1CN2CCC[C@H]2c2ccccc12
[O-][N+](=O)c1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Oc1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
Clc1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
C1CCN2CC(c3ccccc3)c3ccccc3C2C1
[H][C@@]12CCCN1C[C@@H](c1cccc(c1)C(F)(F)F)c1ccccc21
[H][C@@]12CCCN1C[C@H](c1cccc(c1)C(F)(F)F)c1ccccc21
[H][C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21
[H][C@@]12CCCN1C[C@H](c1ccc(N)cc1)c1ccccc21
[H][C@@]12CCCN1C[C@@]([H])(c1ccc(N)cc1)c1ccccc21
Oc1ccc(cc1O)C1CN2CCC[C@H]2c2ccccc12
COc1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
CNC1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
CCCN(CCC)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(C)C1CC(c2ccccc12)c1ccccc1
CN(C)C1CC(c2ccc(F)cc12)c1ccc(Cl)c(Cl)c1
CCNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(C)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
CCN(CC)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(C)C1CC(c2ccccc12)c1cccc(Cl)c1
Clc1ccc(cc1Cl)C1CC(N2CCCC2)c2ccccc12
CNC1CC(c2ccccc12)c1ccc(Br)cc1
CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1
COc1ccc2C(CC(N(C)C)c2c1)c1ccc(Cl)c(Cl)c1
CN(C)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
CNC1CC(c2ccccc12)c1ccc(Cl)cc1Cl
CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1Cl
CNC1CC(c2ccccc12)c1cccc(Cl)c1
CN(C)C1CC(c2ccccc12)c1ccc(F)c(F)c1
C1C[C@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
[H][C@@]12CCCN1C[C@@]([H])(c1ccccc1)c1ccccc21
FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Fc1ccc(cc1)[C@@H]1C[C@@H](N2CCN(CCN3CCNC3=O)CC2)c2ccccc12
CSc1ccc(cc1)C1CN2CCCC2c2c(C)cccc12
CSc1ccc(cc1)C1CN2CCCC2c2c(cccc12)C#N
CCSc1ccc(cc1)C1CN2CCCC2c2ccccc12
CSc1ccc(cc1)C1CN2CCCC2c2ccc(Cl)cc12
CC(=O)Nc1ccc(cc1)C1CN2CCCC2c2ccccc12
CS(=O)(=O)c1ccc(cc1)C1CN2CCCC2c2ccccc12
CS(=O)c1ccc(cc1)C1CN2CCCC2c2ccccc12
[H][C@@]12CCCN1C[C@@]([H])(c1ccc(SC)cc1)c1ccccc21 |r|
Clc1ccc(cc1)C1CN2CCCC2c2cc(Cl)ccc12
COc1ccccc1C1CN2CCCC2c2ccccc12
FC(F)(F)c1ccc(cc1)C1CN2CCCC2c2ccccc12
Clc1ccc(C2CN3CCCC3c3ccccc23)c(Cl)c1
CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12
Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
C#Cc1ccc(cc1)C1CN2CCCC2c2ccccc12
Clc1ccccc1C1CN2CCC[C@@H]2c2ccccc12
CSc1ccccc1C1CN2CCCC2c2ccccc12
CSc1ccc(cc1)C1CN2CCC[C@@H]2c2c(Cl)cccc12
COC(=O)C1C2CCC(CC1c1ccc(cc1)[N+]([O-])=O)N2C |TLB:2:4:20:6.7,11:10:20:6.7|
COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
COC(=O)C1C2CC[C@H](C[C@H]1OC(=O)c1ccccc1)N2C |TLB:11:10:20:6.7|
[H][C@@]12CCC([C@H]([C@H](C1)c1ccc(NC(C)=O)cc1)C(=O)OC)N2C |r,TLB:23:22:3.2:7.6.5,8:6:3.2:22,THB:18:5:3.2:22|
[H][C@@]12CCC([C@H]([C@H](C1)c1ccc(NC(=O)OCC)cc1)C(=O)OC)N2C |r,TLB:25:24:3.2:7.6.5,8:6:3.2:24,THB:20:5:3.2:24|
[H][C@@]12CCC([C@H]([C@H](C1)c1ccc(OC)cc1)C(=O)OC)N2C |r,TLB:21:20:3.2:7.6.5,8:6:3.2:20,THB:16:5:3.2:20|
[H][C@@]12CCC([C@H]([C@H](C1)c1ccc(NC(=O)CC)cc1)C(=O)OC)N2C |r,TLB:24:23:3.2:7.6.5,8:6:3.2:23,THB:19:5:3.2:23|
[H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19|
[H][C@@]12CCC([C@H]([C@H](C1)c1cccs1)C(=O)OC)N2C |r,TLB:18:17:3.2:7.6.5,THB:13:5:3.2:17,8:6:3.2:17|
[H][C@@]12CCC([C@H]([C@H](C1)c1ccc(cc1)N=[N+]=[N-])C(=O)OC)N2C |r,TLB:22:21:3.2:7.6.5,8:6:3.2:21,THB:17:5:3.2:21|
[H][C@@]12CCC([C@H]([C@H](C1)c1ccc(cc1)C(F)(F)F)C(=O)OC)N2C |r,TLB:23:22:3.2:7.6.5,8:6:3.2:22,THB:18:5:3.2:22|
CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c1ccccc1 |r,THB:0:1:8.7.6:4.3|
CN1CC2CC1C[C@H](C2)OC(=O)c1ccccc1 |r,TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
C1CCCN(CC1)C1(CCCCCC1)c1cc2ccccc2s1
NC1(CCCC1)c1cc2ccccc2s1
C1CCC(CC1)(N1CCCCCC1)c1cc2ccccc2s1
C1CCN(C1)C1(CCCCCC1)c1cc2ccccc2s1
NC1(CCCCCC1)c1cc2ccccc2s1
C1CCC(C1)(N1CCCCCC1)c1cc2ccccc2s1
C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1
C1CCN(CC1)C1(CCCCCC1)c1cc2ccccc2s1
NC1(CCCCC1)c1cc2ccccc2s1
C1CCN(C1)C1(CCCCC1)c1cc2ccccc2s1
COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C\C=C/I |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C\C=C\I |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |THB:11:10:27:6.7|
Cl.[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(Cl)cc1)N2C |r,TLB:10:8:25:3.4,THB:26:25:8.9.7:3.4|
[H][C@]12CCC(C([C@H](C1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC)N2C |TLB:8:6:21:3.2,THB:17:5:21:3.2|
[H][C@@]12CCC(C([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)OC)N2C |r,TLB:8:6:3.2:20,THB:16:5:3.2:20|
COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)c(C)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
CN1[C@@H]2CCC1C(CCCO)[C@H](C2)c1ccccc1 |TLB:13:11:1:4.3,7:6:1:4.3|
COC(=O)\C=C\C1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |THB:5:6:19:8.9,13:12:19:8.9|
COC(=O)CCC1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |THB:5:6:19:8.9,13:12:19:8.9|
CC(N)Cc1cc2CCNc2cc1C
CC(N)Cc1ccc2NCCc2c1Cl
CC(N)Cc1ccc(cc1C)N(C)C
CCN1CCc2cc(CC(C)N)c(C)cc12
CC(N)Cc1ccc2NCCc2c1
CC(N)Cc1ccc2NCCc2c1C
CCN1CCc2c1ccc(CC(C)N)c2C
CC(C)(N)Cc1ccc2NCCc2c1
CCC(N)Cc1ccc2NCCc2c1
CCC(N)Cc1ccc2NCCc2c1Cl
[H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(CC)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:17:6:5:3.2|
[H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC(C)C |TLB:9:7:5:3.2,THB:16:6:5:3.2|
[H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:16:6:5:3.2|
CCCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:19:18:10.4.9:6.7,THB:3:4:18:6.7|
CN1C2CCC1[C@@H](\C=C\c1ccccc1)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,0:1:6.15.16:4.3|
CCCCCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:21:20:12.6.11:8.9,THB:5:6:20:8.9|
CN1C2CCC1[C@@H](\C=C/Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,0:1:6.10.11:4.3|
CN1C2CCC1[C@@H](CCc1ccccc1)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,0:1:6.15.16:4.3|
CCC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C |TLB:17:16:9.3.8:5.6,THB:2:3:16:5.6|
CCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:2:3:17:5.6|
CN1C2CCC1[C@@H](\C=C/c1ccccc1)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,0:1:6.15.16:4.3|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(O)cc1)N2C |TLB:9:7:24:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(cc1)C(F)(F)F)N2C |TLB:9:7:27:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(cc1)C#N)N2C |TLB:9:7:25:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(Br)cc1)N2C |TLB:9:7:24:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(F)cc1)N2C |TLB:9:7:24:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(cc1)[N+]([O-])=O)N2C |TLB:9:7:26:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(OC)cc1)N2C |TLB:9:7:25:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(C)cc1)N2C |TLB:9:7:24:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(OC)cc1)c1ccc(OC)cc1)N2C |TLB:9:7:27:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(C)cc1)c1ccc(C)cc1)N2C |TLB:9:7:25:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(cc1)C(C)(C)C)N2C |TLB:9:7:27:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:9:7:25:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(CC)cc1)N2C |TLB:9:7:25:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)N2C |TLB:9:7:26:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(Br)cc1)c1ccc(Br)cc1)N2C |TLB:9:7:25:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(Cl)c(Cl)c1)N2C |TLB:9:7:25:2.3|
CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4
CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
[H][C@]12CCC(C([C@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OC)N2C |THB:8:6:28:3.2|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CC(=O)N(C)C |r,THB:2:4:18:6.7|
Oc1cccc(CCCNC[C@@H]2CCCN2CCOC(c2ccccc2)c2ccccc2)c1
Fc1ccc(cc1)C(OCCN1CCCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
C[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
C[C@@H]1CN(CCCc2ccccc2)[C@@H](C)CN1
C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1CCCc1ccccc1
C(\C=C\N1CCCNCC1)c1ccccc1
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCNCC1)c1ccc(F)cc1
C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
C(CN1CCN(CCCc2ccccc2)CC1)Cc1ccccc1
C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1
C(CCNCCOC(c1ccccc1)c1ccccc1)CNCCCc1ccccc1
C[C@H]1CN(CCCc2ccccc2)[C@H](C)CN1CCCc1ccccc1
Fc1ccc(cc1)C(OCCN1CCC[C@H]1CNCCCc1ccccc1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1
C(CNC[C@@H]1CCCN1CCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
Fc1ccc(cc1)C(OCCN1CCCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCCNCC1)c1ccc(F)cc1
C(CNC[C@H]1CCCN1CCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
CC1(C)CN(CCCc2ccccc2)CCN(CCOC(c2ccccc2)c2ccccc2)C1
C(CN1CCCCC(C1)NCCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
C(CN1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1CCCc1ccccc1
C(CN1CCCNCC1)OC(c1ccccc1)c1ccccc1
C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
C(CN1CCNCC1)OC(c1ccccc1)c1ccccc1
CC(C)(CNCCCc1ccccc1)CNCCOC(c1ccccc1)c1ccccc1
C(CN1CCCCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
NCCCCNCCOC(c1ccccc1)c1ccccc1
C(CNC1CCCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1
C(CN1CCNCC1)Cc1ccccc1
CN(CCCc1ccccc1)CCN(C)CCOC(c1ccccc1)c1ccccc1
C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1
C(CN1CCCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
CNCCN(C)CCOC(c1ccccc1)c1ccccc1
CC(C)(CN)CNCCOC(c1ccccc1)c1ccccc1
CN1C2CCCC1C(C(C2)c1ccccc1)C(=O)c1ccccc1 |TLB:16:7:1:5.3.4,0:1:7.8.9:5.3.4|
COC(=O)C1C2CCCC(CC1c1ccccc1)N2C |TLB:19:18:4.11.10:6.8.7,THB:2:4:18:6.8.7|
[H][C@]1(CC2CCC([C@H]1C(=O)OC)N2C)OC(=O)c1ccccc1 |THB:14:1:12:5.4,8:7:12:5.4|
OC1(N2CCN=C2c2ccc(Cl)cc12)c1ccccc1 |c:5|
OC1(N2CCN=C2c2cccc(Cl)c12)c1ccccc1 |c:5|
OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)c(Cl)c1 |c:5|
CC1(C)CN=C2N(C1)C(O)(c1ccccc21)c1ccc(Cl)cc1 |c:4|
OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6|
OC1(N2CCN=C2c2ccccc12)c1ccc(Br)cc1 |c:5|
OC1(N2CCCCN=C2c2ccccc12)c1ccccc1 |c:7|
OC1(N2CCN=C2c2ccccc12)c1ccc(I)cc1 |c:5|
OC1(N2CCCN=C2c2ccccc12)c1ccccc1 |c:6|
OC1(N2CCCN=C2c2ccccc12)c1ccccc1F |c:6|
OC1(N2CCN=C2c2ccccc12)c1cccc(Cl)c1 |c:5|
OC1(N2CCN=C2c2ccccc12)c1ccccc1 |c:5|
CC1(C)CN2C(=N1)c1ccccc1C2(O)c1ccc(Cl)cc1 |c:5|
OC1(N2CCN=C2c2ccccc12)c1ccccc1Cl |c:5|
OC1(N2CCN=C2c2ccc(Cl)cc12)c1ccc(F)cc1 |c:5|
OC1(N2CCN=C2c2ccccc12)c1ccc(F)cc1 |c:5|
OC1(N2CCCN=C2c2ccccc12)c1ccc(F)cc1 |c:6|
OC1(N2CCCCN=C2c2ccccc12)c1ccc(Cl)c(Cl)c1 |c:7|
OC1(N2CCCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:7|
OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1Cl |c:5|
OC1(N2CCCN=C2c2ccccc12)c1cccc(F)c1 |c:6|
OC1(N2CCN=C2c2ccc(F)cc12)c1ccc(Cl)cc1 |c:5|
OC1(N2CCCN=C2c2ccccc12)c1cccc(Cl)c1 |c:6|
OC1(N2CCN=C2c2ccc(F)cc12)c1ccccc1 |c:5|
COC(=O)[C@H]([C@@H]1CCCCN1)c1cccc(Br)c1
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1O
COC(=O)[C@H]([C@@H]1CCCCN1)c1cccc(O)c1
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccc(cc1)[N+]([O-])=O
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccc(OC)cc1
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1OC
COC(=O)[C@H]([C@@H]1CCCCN1)c1cccc(F)c1
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccc(I)cc1
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccc(O)cc1
COC(=O)[C@H]([C@@H]1CCCCN1)c1cccc(N)c1
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccc(Cl)c(Cl)c1
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1Cl
COC(=O)[C@H](C1CCCCN1)c1ccccc1OC
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1Br
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccc(F)cc1
COC(=O)[C@H]([C@@H]1CCCCN1)c1cccc(Cl)c1
COC(=O)[C@H]([C@@H]1CCCCN1)c1cccc(C)c1
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccc(cc1)C(C)(C)C
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccc(Br)cc1
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1F
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccc(OC)c(OC)c1
COC(=O)[C@H]([C@@H]1CCCCN1)c1cccc(OC)c1
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccc(N)cc1
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccc(Cl)cc1
COC(=O)[C@H](C1CCCCN1)c1ccccc1Br
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccc(C)cc1
COC(=O)C1C2CCC(CC1c1ccccc1)N2C |THB:2:4:17:7.6,11:10:17:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
[H][C@@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccc(I)cc1O)C(=O)OC)N2C |THB:9:7:24:3.2,20:6:24:3.2|
[H][C@@]12CCC(C[C@H](OC(=O)c3ccccc3OC(C)=O)[C@@H]1C(=O)OC)N2C |THB:7:6:25:2.3,21:20:25:2.3|
[H][C@@]12CCC([C@H]([C@H](C1)OC(=O)c1ccc(O)cc1)C(=O)OC)N2C |THB:8:6:22:3.2,18:5:22:3.2|
[H][C@@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1O)C(=O)OC)N2C |THB:9:7:23:3.2,19:6:23:3.2|
[H][C@@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccc(I)cc1)C(=O)OC)N2C |THB:9:7:23:3.2,19:6:23:3.2|
[H][C@@]12CCC([C@H]([C@H](C1)OC(=O)c1cccc(O)c1)C(=O)OC)N2C |THB:8:6:22:3.2,18:5:22:3.2|
CC(N)Cc1cc(O)c(O)cc1N
NCCc1cc(O)c(N)cc1O
CC(N)Cc1cc(O)c(N)cc1O
CC(N)Cc1cc(O)c(O)cc1O
CC(N)Cc1cc(N)c(O)cc1O
NCCc1cc(O)c(O)cc1O
NCCc1cc(O)c(O)cc1N
NCCc1cc(N)c(O)cc1O
[H][C@@]12CCC(C([C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:8:6:28:3.2,THB:24:5:28:3.2|
COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)O2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccccc1)O2 |TLB:11:10:17:6.7,THB:2:4:17:6.7|
COC(=O)[C@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)[C@H]1C2CCC(C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)O2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)O2 |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)O2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)[N+]2(C)C
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:8:9:16:12.13|
CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7|
[H][C@]12CC[C@]([H])(C[C@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C(=O)\C=C\c1ccccc1 |r,TLB:9:7:25:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCn1ccc2ccccc12 |r,TLB:9:7:25:3.2|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Fc1ccc(CN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:14:12:6:8.9|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
CC(=O)N1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:11:9:3:5.6|
CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1CCCCCCN=C=S
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1C |r|
CCC1CC2C(CC(=O)OC)C(Cc3ccccc3)CC1N2C |TLB:22:21:5.11.19:3.2,THB:6:5:21:3.2,12:11:21:3.2,1:2:21:5.11.19|
COC(=O)C[C@@H]1C2C[C@H](Cc3ccccc3)C(C[C@@H]1Cc1ccccc1)N2C |TLB:9:8:26:5.18.17,19:18:26:8.7,THB:4:5:26:8.7|
CC[C@@H]1CC2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C |r,TLB:22:21:5.11.19:3.2,1:2:21:5.11.19,THB:6:5:21:3.2,12:11:21:3.2|
CCCC1CC2C(CC(=O)OC)C(Cc3ccccc3)CC1N2C |TLB:23:22:6.12.20:4.3,THB:7:6:22:4.3,13:12:22:4.3,2:3:22:6.12.20|
COC(=O)CC1C2CCC(CC1Cc1ccccc1)N2C |TLB:20:19:5.11.10:7.8,THB:4:5:19:7.8,12:11:19:7.8|
CCCC[C@@H]1CC2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C |r,TLB:24:23:7.13.21:5.4,3:4:23:7.13.21,THB:8:7:23:5.4,14:13:23:5.4|
CCC[C@@H]1CC2[C@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C |r,TLB:23:22:6.12.20:4.3,2:3:22:6.12.20,THB:7:6:22:4.3,13:12:22:4.3|
COC(=O)C[C@H]1C2C[C@@H](C)C(C[C@@H]1Cc1ccccc1)N2C |r,TLB:21:20:5.12.11:7.8,9:8:20:5.12.11,THB:4:5:20:7.8,13:12:20:7.8|
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1cccnc1
C(CN1CCN(Cc2ccc3ccccc3c2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2cccs2)CC1)c1ccc(F)cc1
C(CN1CCN(CCc2cccc3ccccc23)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCc2cccc3ccccc23)CC1)c1ccc(F)cc1
C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1
C(CN1CCN(Cc2cccc3ccccc23)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2cccc3ccccc23)CC1)c1ccc(F)cc1
C(CN1CCN(C\C=C\c2cccnc2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(Cc2cc3ccccc3s2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(Cc2ccc3ncccc3c2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(Cc2cc3ccccc3[nH]2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2cnc3ccccc3c2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2cccnc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1cccs1
C(CN1CCN(Cc2cc3ccccc3o2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(C\C=C\c2ccco2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccco1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2cccnc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2ccc3ccccc3n2)CC1)c1ccc(F)cc1
C(CN1CCN(Cc2cnc3ccccc3c2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2cccs2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccco2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccco2)CC1)c1ccc(F)cc1
C(CN1CCN(C\C=C\c2cccs2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1nc2ccccc2[nH]1
Fc1ccc(cc1)C(OCCN1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2ccc3ncccc3c2)CC1)c1ccc(F)cc1
C(CN1CCN(Cc2ccc3ccccc3n2)CC1)OC(c1ccccc1)c1ccccc1
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1cccc(F)c1)c1cccc(F)c1)N2C |TLB:9:7:25:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(F)c1)N2C |TLB:9:7:24:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1Cl)N2C |TLB:9:7:24:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(c1)C(F)(F)F)N2C |TLB:9:7:27:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(Cl)c1)N2C |TLB:9:7:24:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1F)N2C |TLB:9:7:24:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1N)N2C |TLB:9:7:24:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1C)N2C |TLB:9:7:24:3.2|
[H][C@@]12CC[C@@]([H])([C@H]([C@H](C1)c1ccccc1)C(=O)OC)N2C |TLB:9:7:19:3.2,THB:15:6:19:3.2|
[H][C@@]12CC[C@@]([H])([C@H]([C@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
[H][C@@]12CC[C@@]([H])([C@@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,TLB:11:10:7.6:18,19:18:7.6:9.10.4,THB:2:4:7.6:18|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2Cc1ccccc1 |r,TLB:19:18:7.6:9.10.4,11:10:7.6:18,THB:2:4:7.6:18|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C\C=C\I |r,TLB:11:10:7.6:19,20:19:7.6:9.10.4,THB:2:4:7.6:19|
COC(=O)[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
[H][C@@]1(CCN(C)C[C@@H]1CO)c1ccc(Cl)cc1
COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@H](C(COC(C)=O)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COC(C)=O)C1)c1ccc(Cl)cc1
CCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CCC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
[H][C@@]1(CCN(C)C[C@H]1COC(C)=O)c1ccc(Cl)cc1
Fc1ccc(cc1)C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1 |THB:15:14:13:11.10,4:7:13:11.10|
CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1 |TLB:0:1:6.18.19:4.3,7:6:1:4.3,20:18:1:4.3|
Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1 |THB:15:14:13:11.10,4:7:13:11.10|
CN1C2CCC1[C@@H](COC(=O)CC[S+]1CC[S+](C)[Re]1(Br)(C=O)(C=O)C=O)[C@H](C2)c1ccc(F)cc1 |TLB:28:26:1:4.3,7:6:1:4.3|
CSCCSCCC(=O)OC[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C |THB:10:11:25:13.14,18:17:25:13.14|
CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:16:6:1:4.3,0:1:7.6.8:4.3|
CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccccc1)c1ccccc1 |TLB:15:6:1:4.3,0:1:7.6.8:4.3|
CCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:10:9:17:5.6,2:3:17:5.6|
CN1C2CCC1C(C(C2)c1ccccc1)c1ccccc1 |TLB:15:6:1:4.3,THB:9:7:1:4.3|
CCCC[C@@H]1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:19:18:10.4.9:6.7,THB:11:10:18:6.7,3:4:18:6.7|
CCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:2:3:17:5.6|
CCC[C@@H]1C2CCC(CC1c1ccc(F)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:2:3:17:5.6,10:9:17:5.6|
CCC[C@H]1C2CC[C@H](C[C@H]1c1ccccc1)N2C |TLB:17:16:9.3.8:5.6,THB:2:3:16:5.6|
CCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(F)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:2:3:17:5.6|
CN1[C@@H]2CCC1[C@@H]([C@@H](C2)c1ccc(F)cc1)c1ccccc1 |TLB:16:6:1:4.3,0:1:7.6.8:4.3|
CCCC[C@H]1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C |TLB:19:18:10.4.9:6.7,THB:3:4:18:6.7|
C(CC1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(\C=C\CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C(CC1CCN(C\C=C\c2cccs2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(\C=C\CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
[H][C@@]12CCC([C@H]([C@@H](C1)OC(=O)c1ccc3ccccc3c1)C(=O)OC)N2C |r,TLB:8:6:25:3.2,THB:26:25:5.6.7:3.2,21:5:25:3.2|
COC(=O)C1C2CCC(CC1C(=C)c1ccccc1)N2C |THB:2:4:19:6.7,20:19:4.10.9:6.7|
COC(=O)C1C2CCC(CC1CCCc1ccccc1)N2C |THB:2:4:20:6.7,21:20:4.10.9:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1Cc1ccccc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
[H][C@@]12CCC([C@@H]([C@@H](C1)c1ccc3ccccc3c1)C(=O)OC)N2C |r,TLB:23:22:5.6.7:3.2,8:6:22:3.2,THB:18:5:22:3.2|
[H][C@@]12CCC([C@H]([C@@H](C1)\C=C\c1ccccc1)C(=O)OC)N2C |r,THB:16:5:20:3.2,21:20:5.6.7:3.2|
[H][C@@]12CCC([C@H]([C@H](CCc3ccccc3)C1)C(=O)OC)N2C |r,THB:16:5:20:3.2,7:6:20:3.2,21:20:5.6.15:3.2|
[H][C@@]12CCC([C@H]([C@@H](C1)c1ccc(cc1)-c1ccccc1)C(=O)OC)N2C |r,THB:25:24:5.6.7:3.2,20:5:24:3.2,8:6:24:3.2|
COC(=O)C1C2CCC(CC1OC(=O)c1cccc3ccccc13)N2C |TLB:11:10:24:6.7,THB:25:24:4.10.9:6.7,2:4:24:6.7|
COC(=O)C1C2CCC(CC1Cc1ccc3ccccc3c1)N2C |THB:23:22:4.10.9:6.7,2:4:22:6.7,11:10:22:6.7|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
[H][C@@]12CCC(C([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:22:21:5.6.7:3.2,THB:8:6:21:3.2,17:5:21:3.2|
COC(=O)C1C2CC[C@H](C[C@@H]1O)N2C |TLB:13:12:4.10.9:6.7|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(O)=O |TLB:9:7:1:4.3,18:6:1:4.3,0:1:6.7.8:4.3|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(cc1)[N+]([O-])=O)N2C |TLB:21:20:4.10.9:6.7|
COC(=O)[C@@H]1[C@H]2CCC(C[C@H]1OC(=O)c1ccccc1)N2C |TLB:21:20:4.10.9:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccc(cc1)N=C=S)N2C |TLB:24:23:4.10.9:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2
CN1[C@@H]2CCC1C([C@@H](O)C2)C(O)=O |TLB:0:1:6.7.9:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccc(N)cc1)C(O)=O |TLB:0:1:6.7.8:4.3|
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1cccc(c1)[N+]([O-])=O)N2C |TLB:25:24:4.10.9:6.7,11:10:24:6.7,THB:2:4:24:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1cccc(c1)N=C=S)N2C |TLB:24:23:4.10.9:6.7|
CNC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:21:20:4.10.9:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2CC=C |TLB:21:20:4.10.9:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccccc1)N2
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 |TLB:21:20:4.10.9:6.7|
C[N+](C)(C)CC(O)c1ccc(O)c(O)c1
CN1C2CCC1C([C@H](C2)c1ccccc1)c1nc(C)no1 |TLB:15:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
COC(=O)C1C2CCC(C[C@H]1OC(=O)c1ccccc1)N2C |THB:11:10:20:6.7,2:4:20:6.7|
Clc1ccc(CCNC2(CCCCC2)c2cc3ccccc3s2)cc1Cl
Clc1ccc(CCNCCNC2(CCCCC2)c2cc3ccccc3s2)cc1Cl
NCC(=O)NC1(CCCCC1)c1cc2ccccc2s1
CCCCN(C)C1(CCCCC1)c1cc2ccccc2s1
NCCCNC1(CCCCC1)c1cc2ccccc2s1
NCCNC1(CCCCC1)c1cc2ccccc2s1
O=C1NCCN1C1(CCCCC1)c1cc2ccccc2s1
CCN(CC)C1(CCCCC1)c1cc2ccccc2s1
CNC1(CCCCC1)c1cc2ccccc2s1
Clc1ccc(CC(=O)NCCNC2(CCCCC2)c2cc3ccccc3s2)cc1Cl
CN(C)C1(CCCCC1)c1cc2ccccc2s1
CCCNC1(CCCCC1)c1cc2ccccc2s1
C(NC1(CCCCC1)c1cc2ccccc2s1)c1ccccc1
CCCCNC1(CCCCC1)c1cc2ccccc2s1
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]C1([#6]-[#6]-[#6]-[#6]-[#6]1)c1cc2ccccc2s1
C=CCNC1(CCCCC1)c1cc2ccccc2s1
CNCCCCNC1(CCCCC1)c1cc2ccccc2s1
CNCCCNC1(CCCCC1)c1cc2ccccc2s1
C(NC1(CCCCC1)c1cc2ccccc2s1)C1CC1
CCCCN(CCCC)C1(CCCCC1)c1cc2ccccc2s1
C(NC1(CCCCC1)c1cc2ccccc2s1)C1CCC1
CNCCNC1(CCCCC1)c1cc2ccccc2s1
CCCCCNC1(CCCCC1)c1cc2ccccc2s1
CCCN(CCC)C1(CCCCC1)c1cc2ccccc2s1
CCCN(CC)C1(CCCCC1)c1cc2ccccc2s1
CCNC1(CCCCC1)c1cc2ccccc2s1
C1CCC(C1)(N1CCCCC1)c1cc2ccccc2s1
C1CCN(C1)C1(CCCC1)c1cc2ccccc2s1
C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc23)C[C@H](C)N1 |r|
C[C@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc23)C[C@H](C)N1 |r|
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)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)N1CCCc1ccccc1 |r|
C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r|
C[C@H]1CN(CCCn2c3ccc(cc3c3cc(ccc23)[N+]([O-])=O)[N+]([O-])=O)C[C@H](C)N1 |r|
Clc1ccccc1N1CCN(CCCn2c3ccccc3c3ccccc23)CC1
C(CN1CCN(CC1)c1ccccc1)Cn1c2ccccc2c2ccccc12
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(OC)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
Nc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1
C(N[C@@H]1CC[C@@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
[O-][N+](=O)c1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Oc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
O[C@@H]1C[C@H](OC[C@H]1NCc1ccccc1)C(c1ccccc1)c1ccccc1
Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
[O-][N+](=O)c1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1Cl
COC(=O)[C@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1
OC[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1
O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
CO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Clc1ccc(cc1Cl)[C@H]1CCCN2CCCC[C@H]12
CCN1CCCC[C@@H]1[C@H](CO)c1ccccc1
O=C1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
O[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1
C[C@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
C1CCN2CCC[C@@H]([C@H]2C1)c1ccccc1
C[C@@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
O=C1CC[C@@H]([C@H]2CCCCN12)c1ccccc1
COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccccc1
C1CNCC(C1)c1ccccc1 |w:4.6|
OC[C@@H]([C@H]1CCCCN1)c1ccccc1
CO[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1 |r|
Clc1ccccc1[C@H]1CCCN2CCCC[C@H]12
C(C1CCCCN1)c1ccccc1 |w:1.0|
Clc1ccc(cc1Cl)[C@@H]1CCCN2CCCC[C@H]12
CCN1CCCC[C@@H]1[C@H](C)c1ccccc1
COC[C@@H]([C@H]1CCCCN1)c1ccccc1
Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
Cc1nc(cs1)C#Cc1cc(F)cc(c1)-c1cccnc1
Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
Clc1ccc(cc1Cl)C12CC1CNC2
COc1ccc(cc1)[C@H](CN(C)C)[Si]1(O)CCCCC1
CC(C)C[C@@H](C(=O)O)NC(=O)c1cc(n(n1)c2ccnc3c2ccc(c3)Cl)c4c(cccc4OC)OC
COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(2.93,-10.42,;4.07,-9.39,;3.75,-7.88,;2.29,-7.41,;1.96,-5.9,;3.1,-4.87,;4.57,-5.34,;5.71,-4.31,;5.39,-2.81,;4.89,-6.85,;6.34,-7.32,;6.82,-8.79,;8.36,-8.78,;8.84,-7.32,;7.59,-6.41,;7.59,-4.87,;6.26,-4.1,;6.26,-2.56,;7.59,-1.79,;8.92,-2.55,;10.25,-1.78,;11.59,-2.54,;12.91,-1.76,;11.59,-4.09,;10.26,-4.86,;8.92,-4.1,;9.27,-10.03,;8.65,-11.43,;10.8,-9.86,;11.71,-11.11,;11.09,-12.51,;12,-13.76,;11.37,-15.17,;13.53,-13.59,;13.24,-10.94,;14.16,-12.18,;13.87,-9.53,)|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
Fc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
Brc1ccc(cc1)C(OCCC1CCN(CCc2ccccc2)CC1)c1ccc(Br)cc1
Clc1ccc(cc1)C(OCCC1CCN(CCc2ccccc2)CC1)c1ccc(Cl)cc1
C(CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Brc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1ccc(Br)cc1
COc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1ccc(OC)cc1
Fc1ccc(cc1)C(OCCC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
C(CC1CCN(CCc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
C(OC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccccc2)CC1
C(CN1CCC(COC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCC1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
C(Cc1ccccc1)N1CCC(COC(c2ccccc2)c2ccccc2)CC1
Clc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1ccc(Cl)cc1
Cc1ccc(cc1)C(OCCC1CCN(CCc2ccccc2)CC1)c1ccc(C)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
C(CC1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
COc1cc2CCN(C)Cc2cc1OC
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
CCC(CC)c1ccc(cc1)C1CC2CCC(N2)C1C(=O)CC |THB:19:18:17:15.14|
CCC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2 |THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2 |THB:2:4:20:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C1CCCCC1)N2 |THB:2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C1CCCCC1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2 |THB:11:10:21:6.7,2:4:21:6.7|
CCC(CC)c1ccc(cc1)C1CC2CCC(C1C(=O)CC)N2C |TLB:23:22:17.11.12:15.14,THB:18:17:22:15.14|
OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1 |c:5|
OC1(N2CCN=C2c2ccccc12)c1ccccc1Br |c:5|
C(CC1CCN(Cc2cccnc2)CC1)OC(c1cccs1)c1ccccc1
Nc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C(CC1CCN(Cc2cccs2)CC1)OC(c1ccccc1)c1ccccc1
Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C(CC1CCN(Cc2cc3ccccc3s2)CC1)OC(c1ccccc1)c1ccccc1
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1
C(CC1CCN(Cc2ccccc2)CC1)OC(c1cccs1)c1ccccc1
Clc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccc(F)cc3)CC2)cc1
COc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C(CC1CCN(Cc2cccnc2)CC1)OC(c1ccccc1)c1ccccc1
[O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Clc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1Cl
Fc1ccc(CN2CCC(CCOC(c3cccs3)c3ccccc3)CC2)cc1
Brc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1Cl
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCCc1ccccc1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2Cc1ccccc1 |TLB:11:10:27:6.7,28:27:4.10.9:6.7,THB:2:4:27:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCCCc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCC[N+]12CCS[Re]11(=O)SCCN1C(=O)C2 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2Cc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
[H][C@@]12CCCC[C@@]1([H])CC(C(N)C2)c1ccccc1 |r|
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|
OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Cl)c(Cl)c1 |TLB:11:9:3:5.6|
OC(CN1C2CCC1CC(C2)c1ccccc1)c1c(Cl)cccc1Cl |TLB:11:9:3:5.6|
OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Br)cc1 |TLB:11:9:3:5.6|
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15|
OC(CCCN1C2CCC1CC(C2)c1ccccc1)c1ccc(F)cc1 |TLB:13:11:5:7.8,THB:4:5:11.12.10:7.8|
O[C@H]1Cc2ccccc2C[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:10:11:17.18.16:13.14,19:17:11:13.14|
Fc1ccc(cc1)C(=O)CN1C2CCC1CC(C2)c1ccccc1 |TLB:18:16:10:12.13,THB:9:10:16.15.17:12.13|
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)c1ccccc1 |TLB:11:9:3:5.6|
OC(CN1C2CCC1CC(C2)c1ccccc1)Cc1ccc(Br)cc1 |TLB:11:9:3:5.6,THB:2:3:9.8.10:5.6|
OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccccc1Br |TLB:11:9:3:5.6|
O[C@H]1CCCC[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:6:7:13.14.12:9.10,15:13:7:9.10|
OC(CN1C2CCC1CC(C2)c1ccccc1)c1cccc(Br)c1 |TLB:11:9:3:5.6|
OC1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1
O[C@H]1CC[C@](CC1)(N1CCCCC1)c1cc2ccccc2s1 |wU:4.7,1.0,(9.01,-15.85,;9.01,-14.31,;7.68,-13.54,;7.68,-12,;9.01,-11.23,;10.34,-12,;10.34,-13.54,;10.34,-10.45,;11.67,-11.21,;13,-10.44,;12.98,-8.9,;11.65,-8.14,;10.32,-8.91,;8.24,-9.89,;8.84,-8.45,;7.68,-7.44,;7.66,-5.9,;6.33,-5.13,;4.99,-5.93,;5,-7.47,;6.35,-8.22,;6.68,-9.74,)|
O[C@H]1CC[C@@](CC1)(N1CCCCC1)c1cc2ccccc2s1 |wU:4.7,wD:1.0,(9.01,-15.85,;9.01,-14.31,;10.34,-13.54,;10.34,-12,;9.01,-11.23,;7.68,-12,;7.68,-13.54,;10.34,-10.45,;11.67,-11.21,;13,-10.44,;12.98,-8.9,;11.65,-8.14,;10.32,-8.91,;8.24,-9.89,;8.84,-8.45,;7.68,-7.44,;7.66,-5.9,;6.33,-5.13,;4.99,-5.93,;5,-7.47,;6.35,-8.22,;6.68,-9.74,)|
OC1CCCN(C1)C1(CCCCC1)c1cc2ccccc2s1
Fc1ccc(CCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:16:14:8:10.11|
Fc1ccc(cc1)C(OCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1 |THB:10:11:17.16.18:13.14,19:17:11:13.14|
[O-][N+](=O)c1ccc(cc1)-c1ccc(COCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:25:23:17:19.20|
CN1C2CCC1[C@@H]([C@H]2CN1CCS[Re]2(=O)SCCN2CC1)c1ccc(Cl)cc1 |TLB:8:7:1:4.3,THB:21:6:1:4.3|
CN1C2CCC1[C@@H]([C@@H]2CN1CCS[Re]2(=O)SCCN2CC1)c1ccc(Cl)cc1 |TLB:8:7:1:4.3,THB:21:6:1:4.3|
C(CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1cccnc1
Fc1ccc(CCCN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1cccs1
C(CN1CCC(CCOC(c2cccs2)c2ccccc2)CC1)Cc1ccccc1
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:39.53,40.44,TLB:33:34:37.36:39.40.41,50:39:37.36:34,(9.98,-40.52,;8.63,-39.74,;8.63,-38.19,;9.98,-37.41,;11.32,-38.19,;7.29,-37.41,;7.28,-35.86,;5.93,-35.08,;4.6,-35.87,;3.26,-35.11,;3.25,-33.56,;4.58,-32.77,;4.57,-31.23,;3.23,-30.47,;1.89,-31.25,;1.9,-32.8,;.57,-33.58,;-.76,-34.36,;1.34,-34.91,;-.22,-32.25,;3.22,-28.93,;1.67,-28.94,;4.76,-28.91,;3.21,-27.39,;4.55,-26.62,;5.88,-27.39,;7.21,-26.62,;7.22,-25.08,;8.55,-24.32,;9.89,-25.09,;9.88,-26.63,;11.22,-24.33,;12.55,-25.1,;12.55,-26.64,;13.88,-27.42,;13.91,-29.95,;12.92,-30.66,;13.22,-29.22,;14.52,-28.51,;15.93,-29.14,;16.3,-30.6,;15.29,-29.88,;17.67,-31.02,;18.71,-30.04,;20.08,-30.45,;20.41,-31.86,;21.78,-32.27,;19.36,-32.84,;19.68,-34.23,;17.99,-32.42,;17.26,-28.36,;17.25,-26.82,;18.6,-29.13,;19.93,-28.35,;1.92,-35.88,;.58,-35.11,;-.76,-35.89,;-.75,-37.44,;.59,-38.21,;1.92,-37.43,;3.27,-38.2,;4.6,-37.42,;5.94,-38.19,;-2.1,-38.21,;-3.44,-37.44,;-4.78,-38.21,;-2.09,-39.76,;-3.44,-40.53,)|
CC(NC1CC1)C(=O)c1cccc(Cl)c1
C[C@H](NC1CC1)C(=O)c1cccc(Cl)c1
C[C@@H](NC1CC1)C(=O)c1cccc(Cl)c1
CCCNC(C)C(=O)c1cccc(Cl)c1
CCNC(C)C(=O)c1cccc(Cl)c1
CC(NC1CC1)C(=O)c1cccc(Br)c1
CC(NC1CC1)C(=O)c1cccc(C)c1
COc1cccc(c1)C(=O)C(C)NC1CC1
CC(NC1CC1)C(=O)c1ccc(Cl)cc1
CC(NC1CC1)C(=O)c1ccc(C)cc1
CC(NC1CC1)C(=O)c1ccc(Cl)c(Cl)c1
CC(NC1CC1)C(=O)c1ccc(C)c(Cl)c1
CCCC(N)Cc1ccccc1
CC(N)Cc1cccc(Cl)c1
CNC(C)C(=O)c1cccc(Cl)c1
CCC(Cc1ccccc1)NC
CCC(NC)C(=O)c1ccccc1
CCNC(C)C(=O)c1ccccc1
Fc1ccc(CN2CCC(CC(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1
CC1NC(C)(C)COC1(O)c1cc(Cl)cc(Cl)c1
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cc(F)cc(F)c1 |r|
CC1NC(C)(C)COC1(O)c1ccc(Cl)c(Cl)c1
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(cc1)-c1ccccc1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1ccc2ccccc2c1 |r|
CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
CC1NC(C)(C)COC1(O)c1ccccn1
CC1NC(C)(C)COC1(O)c1cccnc1
CN(C)Cc1ccccc1Sc1ccc(I)cc1CO
CN(C)Cc1ccccc1Sc1ccc(Br)cc1CO
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
Oc1ccc(\C=C\CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
COc1cccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
COc1ccccc1\C=C\CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Oc1ccccc1CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
COc1cccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
Oc1ccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Oc1cccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
Oc1ccccc1\C=C\CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
COc1ccc(\C=C\CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
COc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
Oc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Oc1cccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
COc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
COc1ccccc1CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Oc1cccc(\C=C\CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1
Oc1ccccc1\C=C\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
Oc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
CCCCCCCCCC(=O)OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
COc1ccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
COc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
O[C@H](CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
COc1cccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1
COc1ccccc1\C=C\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
COc1cccc(\C=C\CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1
Oc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
Oc1cccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1
CCOC(=O)C1(CCN(C)CC1)c1ccc(C)cc1
CN1CCC(CC1)(C#N)c1ccc(C)cc1
CN1CCC(CC1)(C#N)c1ccc2ccccc2c1
CCOC(=O)C1(CCN(C)CC1)c1ccccc1
CCOC(=O)C1(CCN(C)CC1)c1ccc(I)cc1
CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)cc1
CN1CCC(CC1)(C#N)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C#N)c1ccc(I)cc1
CN1CCC(CC1)(C#N)c1cccc2ccccc12
CCOC(=O)C1(CCN(C)CC1)c1ccc2ccccc2c1
CCOC(=O)C1(CCN(C)CC1)c1ccc(F)cc1
CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C#N)c1ccc(Cl)cc1
CN1CCC(O)(C(C1)C(=O)c1ccc(F)cc1)c1ccc(F)cc1
CN1CCC(O)(C(C1)[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1
CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
CN1CCC(O)(C(C1)[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
CN1CCC(O)(C(C1)C(=O)c1ccccc1)c1ccccc1
CN1CCC(O)(C(C1)[C@@H](O)c1ccc(C)cc1)c1ccc(C)cc1
CN1CCC2(OC(=O)OC(C2C1)c1ccc(C)cc1)c1ccc(C)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1cccc(F)c1
COC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(I)cc1 |TLB:11:10:4.13.12:6.7,THB:2:4:10.9:6.7,14:13:10.9:6.7|
CC(C)OC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(Cl)cc1 |TLB:13:12:6.15.14:8.9,THB:4:6:12.11:8.9,16:15:12.11:8.9|
CC(C)(Cc1ccc2ccccc2c1)NC[C@H](COc3cccc(c3C#N)Cl)O
C(C1NCCc2ccccc12)c1ccccc1
Oc1ccc(CC2NCCc3ccccc23)cc1O
Oc1cc2CCNC(Cc3ccccc3)c2cc1O
CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N
COc1ccc(Sc2ccccc2CN(C)C)c(N)c1
CN(C)Cc1ccccc1Sc1ccc(cc1N)C(F)(F)F
CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)C(C)=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1[N+]([O-])=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(OC)c1)N2C |TLB:26:25:4.10.9:6.7,THB:2:4:25:6.7,11:10:25:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(O)c1)N2C |TLB:25:24:4.10.9:6.7,THB:2:4:24:6.7,11:10:24:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(cc1)C(C)=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1OC)N2C |TLB:26:25:4.10.9:6.7,THB:2:4:25:6.7,11:10:25:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(OC)cc1)N2C |TLB:26:25:4.10.9:6.7,THB:2:4:25:6.7,11:10:25:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(N)c1)N2C |TLB:25:24:4.10.9:6.7,THB:2:4:24:6.7,11:10:24:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1C(C)=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccc(C)cc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccc(cc2)C(F)(F)F)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)CCc2ccccc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2cccc(c2)C(F)(F)F)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)\C=C\c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
CCOC(=O)C1C2CCC(CC1c1ccc3n(CC)ccc3c1)N2 |THB:12:11:23:7.8,3:5:23:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc3n(C)ccc3c1)N2C |THB:12:11:22:7.8,3:5:22:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1c(C)ccn1C)N2C |THB:3:5:25:7.8,12:11:25:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1C)N2C |THB:3:5:24:7.8,12:11:24:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(C)n1C)N2 |THB:3:5:25:7.8,12:11:25:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1C)N2 |THB:3:5:24:7.8,12:11:24:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc3n(C)ccc3c1)N2 |THB:12:11:22:7.8,3:5:22:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1c(C)ccn1C)N2 |THB:3:5:25:7.8,12:11:25:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1Cc1ccccc1)N2 |THB:3:5:30:7.8,12:11:30:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1CC)N2C |THB:3:5:25:7.8,12:11:25:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(-c3ccccc3)n1C)N2 |THB:3:5:30:7.8,12:11:30:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1CC)N2 |THB:3:5:25:7.8,12:11:25:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1Cc1ccccc1)N2C |THB:3:5:30:7.8,12:11:30:7.8|
CCOC(=O)C1C2CCC(CC1c1ccc3n(CC)ccc3c1)N2C |THB:12:11:23:7.8,3:5:23:7.8|
CCC(=O)C1C2CCC(CC1c1ccc3ccc(I)cc3c1)N2C |TLB:23:22:4.10.9:6.7,THB:11:10:22:6.7,2:4:22:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3c(I)c(OC)ccc3c1)N2C |TLB:25:24:4.10.9:6.7,THB:11:10:24:6.7,2:4:24:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C)c3ccccc13)N2C |THB:11:10:22:6.7,2:4:22:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3cc(CC)ccc3c1)N2C |TLB:24:23:4.10.9:6.7,THB:11:10:23:6.7,2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3cc(I)ccc3c1)N2C |TLB:23:22:4.10.9:6.7,THB:11:10:22:6.7,2:4:22:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(CC)c3ccccc13)N2C |THB:11:10:23:6.7,2:4:23:6.7|
CC(C)C(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:23:22:5.11.10:7.8,THB:3:5:22:7.8,12:11:22:7.8|
CCC(=O)C1C2CCC(CC1c1ccc3c(C(C)=O)c(OC)ccc3c1)N2C |TLB:27:26:4.10.9:6.7,THB:11:10:26:6.7,2:4:26:6.7|
CN1C2CCC1C(C(C2)c1ccc2ccccc2c1)C(C)=O |TLB:9:7:1:4.3,19:6:1:4.3,THB:0:1:6.7.8:4.3|
CCC(=O)C1C2CCC(CC1c1ccc3cc(ccc3c1)C(C)C)N2C |TLB:25:24:4.10.9:6.7,THB:11:10:24:6.7,2:4:24:6.7|
CCC(=O)C1C2CCC(CC1c1cccc3ccccc13)N2C |THB:11:10:21:6.7,2:4:21:6.7,22:21:10.4.9:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3cc(OC)ccc3c1)N2C |TLB:24:23:4.10.9:6.7,THB:11:10:23:6.7,2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C(C)C)c3ccccc13)N2C |THB:11:10:24:6.7,2:4:24:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3c(c(OC)ccc3c1)[N+]([O-])=O)N2C |TLB:27:26:4.10.9:6.7,THB:11:10:26:6.7,2:4:26:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3c(CC)c(OC)ccc3c1)N2C |TLB:26:25:4.10.9:6.7,THB:11:10:25:6.7,2:4:25:6.7|
CN1C2CCC1C(C(C2)c1cccc2ccccc12)C(C)=O |TLB:9:7:1:4.3,19:6:1:4.3,THB:0:1:7.6.8:4.3|
CCC(=O)C1C2CCC(CC1c1ccc3c(C(C)=C)c(OC)ccc3c1)N2C |TLB:27:26:4.10.9:6.7,THB:11:10:26:6.7,2:4:26:6.7|
C([C@H]1NCCc2cc3OCOc3cc12)c1ccccc1
CCCN1CCc2cc3OCOc3cc2[C@@H]1Cc1ccccc1
CCCN1CCc2cc(O)c(O)cc2[C@H]1Cc1ccccc1
C([C@@H]1NCCc2cc3OCOc3cc12)c1ccccc1
CCCN1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccccc1
CCCN1CCc2cc3OCOc3cc2[C@H]1Cc1ccccc1
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2 |THB:11:10:19:6.7,2:4:19:6.7|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCCF |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCF |TLB:16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2CCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OCCCF |TLB:16:6:1:4.3,THB:9:7:1:4.3|
FCCCN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCF |TLB:19:9:4:7.6,THB:12:10:4:7.6|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CNCc1ccccc1Sc1ccc(I)cc1N
CNCc1ccccc1Sc1ccc(I)cc1CO
CN(C)Cc1ccccc1Sc1ccc(F)cc1CO
CN(C)Cc1ccccc1Sc1ccc(Br)cc1N
COCc1cc(Br)ccc1Sc1ccccc1CN(C)C
CNCc1ccccc1Sc1ccc(Br)cc1N
CN(CCF)Cc1ccccc1Sc1ccc(I)cc1N
CN(C)Cc1ccccc1Sc1ccc(\C=C\I)cc1N
CN(C)C(=O)c1ccccc1Sc1ccc(Br)cc1C=O
CN(C)Cc1ccccc1Sc1ccc(I)cc1N
CN(C)C(=O)c1ccccc1Sc1ccc(F)cc1C=O
COCc1cc(I)ccc1Sc1ccccc1CN(C)C
OC(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
OCC(N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
O[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
O[C@@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
OCC(N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
O[C@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
CCC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1C)N2C\C=C/I |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(\C=C\I)cc1)N2 |THB:2:4:20:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(I)c(F)c1)N2 |THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(\C=C(\C)I)cc1)N2 |THB:2:4:21:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(I)c(F)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(\C=C(/C)I)cc1)N2 |THB:2:4:21:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2 |THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1C)N2C\C=C\I |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)CC\C=C\I |TLB:16:6:1:4.3,0:1:6.7.8:4.3|
CCC(=O)C1C2CCC(CC1c1cccc(I)c1)N2 |THB:2:4:18:6.7|
CCC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
[H][C@@]12CCC(C([C@H](C1)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=S)N2C |r,THB:15:5:3.2:28,8:6:3.2:28|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)N1CCCC1)N2C |r,TLB:24:23:7.8.6:2.3|
OC1(N2CCN=C2c2ccc3ccccc3c12)c1ccc(Cl)cc1 |c:5|
OC1(N2CCN=C2c2ccccc12)c1ccc2ccccc2c1 |c:5|
OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1 |c:5|
OC1(N2CCN=C2c2cc3ccccc3cc12)c1ccc(Cl)cc1 |c:5|
OC1(N2CCCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1 |c:6|
OC1(N2CCN=C2c2ccccc12)c1cccc2ccccc12 |c:5|
OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1 |c:5|
OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1 |c:10|
OC1(N2[C@H]3CCCC[C@H]3N=C2c2ccccc12)c1ccc(Cl)cc1 |c:10|
Cc1ccc(cc1)C1(O)N2CCN=C2c2ccccc12 |c:13|
CC1(O)N2CCN=C2c2ccccc12 |c:6|
CC1(C)COC(=N1)c1ccc(cc1)C(O)c1ccc(Cl)cc1 |c:5|
COC(=O)c1ccc(cc1)C1(O)N2CCN=C2c2ccccc12 |c:16|
Clc1ccc(Oc2ccccc2C2=NCCN2)cc1 |t:13|
OC1(N2CCN=C2c2ccccc12)c1ccncc1 |c:5|
Clc1ccc(Sc2ccccc2C2=NCCN2)cc1 |t:13|
Clc1ccc(cc1)C(=O)c1ccc(cc1)C1=NCCN1 |t:17|
Cn1ccnc1-c1ccccc1C(=O)c1ccc(Cl)cc1
CC1(C)COC(=N1)c1ccccc1C(=O)c1ccc(Cl)cc1 |c:5|
OC1(N2CCN=C2c2ccccc12)c1cccnc1 |c:5|
CC(C)(C)C1(O)N2CCN=C2c2ccccc12 |c:9|
Clc1ccc(cc1)C(=O)c1cccc(c1)C1=NCCN1 |t:17|
OC1(N2CCN=C2c2ccccc12)c1cccc(c1)C(F)(F)F |c:5|
OC1(N2CCN=C2c2ccccc12)c1ccccn1 |c:5|
Clc1ccc(cc1)S(=O)c1ccccc1C1=NCCN1 |t:17|
CN(C)Cc1ccc(cc1)C1(O)N2CCN=C2c2ccccc12 |c:16|
OC1(C\C=C\c2ccccc2)N2CCN=C2c2ccccc12 |c:15|
COc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:15|
OC1(N2CCCN=C2c2ccccc12)c1ccc(OCC=C)cc1 |c:6|
COc1ccc(cc1OC)C1(O)N2CCCN=C2c2ccccc12 |c:17|
OC1(N2CCN=C2c2ccccc12)c1ccco1 |c:5|
OC1(N2CCCN=C2c2ccccc12)c1ccc(CN2CCCCC2)cc1 |c:6|
OC(c1ccc(Cl)cc1)c1ccccc1C1=NCCN1 |t:17|
CC1(CCCCC1)C1(O)N2CCN=C2c2ccccc12 |c:13|
Oc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12 |c:14|
COc1ccc(cc1OC)C1(O)N2CCN=C2c2ccccc12 |c:16|
OC1(N2CCCN=C2c2cccc3cccc1c23)c1ccc(Cl)cc1 |c:6|
Clc1ccc(Cc2ccccc2C2=NCCN2)cc1 |t:13|
OC1(N2[C@@H]3CCCC[C@H]3N=C2c2ccccc12)c1ccc(Cl)cc1 |c:10|
CC1(C)COC(=N1)c1ccc(cc1)C(=O)c1ccc(Cl)cc1 |c:5|
OC1(N2CCN=C2c2ccccc12)c1ccc(COc2ccccc2)cc1 |c:5|
OC1(N2CCCN=C2c2ccccc12)c1ccc(OCc2ccccc2)cc1 |c:6|
Clc1ccc(cc1)C(=O)c1ccccc1-c1ncc[nH]1
OC1(N2CCN=C2c2ccccc12)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |c:5,TLB:16:17:21:14.15.20,THB:16:15:21:22.17.18|
OC1(N2CCN=C2c2ccccc12)c1ccc(cc1)C(F)(F)F |c:5|
Clc1ccc(cc1)S(=O)(=O)c1ccccc1C1=NCCN1 |t:18|
OC(c1ccc(Cl)cc1)c1ccc(cc1)C1=NCCN1 |t:17|
CC1(C)COC(=N1)c1cccc(c1)C(O)c1ccc(Cl)cc1 |c:5|
OC1CN=C2N(C1)C(O)(c1ccccc21)c1ccc(Cl)cc1 |c:3|
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccco2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2cccc3ccccc23)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2cccs2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1
CN(C)C(=O)c1ccccc1Sc1cc(N)c(Cl)cc1[N+]([O-])=O
CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1N
CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1[N+]([O-])=O
Clc1ccc(Sc2ccccc2N2CCNCC2)cc1
C[C@H](O)[C@H](N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CC=C)CC1)c1ccc(F)cc1
C[C@@](O)(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
C[C@](O)(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
C[C@@H](O)[C@@H](N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
O[C@@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
C[C@@H](O)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
C[C@H](O)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
O[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
C[C@H](O)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
O[C@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O[C@@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
C[C@@H](O)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C\C)cc1)N2C |TLB:11:10:20:6.7,THB:21:20:4.10.9:6.7,2:4:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C/I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C/C)cc1)N2C |TLB:11:10:20:6.7,THB:21:20:4.10.9:6.7,2:4:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C\I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
C(CC1CC2CCC(C1)N2Cc1ccccc1)OC(c1ccccc1)c1ccccc1 |TLB:10:9:5.6:3.8.2,1:2:9:5.6|
Oc1cccc(CN2C3CCC2CC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C3)c1 |THB:14:13:7:9.10|
Clc1ccc(cc1)C(OCCC1CC2CCC(C1)N2CCCc1ccccc1)c1ccccc1 |TLB:10:11:18:14.15|
Clc1ccc(cc1)C(OCCC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(Cl)cc1 |TLB:10:11:18:14.15|
[#6](-[#6]-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-1-[#6]\[#6](-[#6]-2)=[#6]/[#8]-[#6](-c1ccccc1)-c1ccccc1)-[#6]-c1ccccc1 |THB:10:8:2:4.5|
[#6](-[#8]-[#6](-c1ccccc1)-c1ccccc1)\[#6]=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1 |TLB:15:16:23:19.20,THB:24:23:16.17.22:19.20|
Clc1ccc(cc1)C(OCCC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:10:11:18:14.15|
Fc1ccc(cc1)C(OCCC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(F)cc1 |TLB:10:11:18:14.15|
Oc1ccc(CN2C3CCC2CC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1 |THB:13:12:6:8.9|
Fc1ccc(cc1)-[#6](-[#8]-[#6]\[#6]=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)-c1ccc(F)cc1 |TLB:10:11:18:14.15|
CN1C2CCC1CC(CCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 |THB:8:7:1:3.4|
Fc1ccc(cc1)-[#6](-[#8]-[#6]\[#6]=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1)-c1ccc(F)cc1 |TLB:10:11:18:14.15|
Clc1ccc(cc1)C(OCCC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(Cl)cc1 |TLB:10:11:18:14.15|
CN1C2CCC1CC(CCOC(c1ccccc1)c1ccc(Cl)cc1)C2 |THB:8:7:1:3.4|
CN1C2CCC1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |THB:8:7:1:3.4|
O=C1CCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
O=C1C(CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)CCc2ccccc12
OC1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
COc1ccc2C(=O)C(CN3CCN(CCOC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)CCc2c1
Fc1ccc(cc1)C(OCCN1CCN(CC2CCCCCC2=O)CC1)c1ccc(F)cc1
OC1CCCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
OC1CCCCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
O=C1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1
OC1CCCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccs1
Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2cccs2)CC1)c1ccc(F)cc1
OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccco1
COc1ccc2[C@H](O)[C@H](CN3CCN(CCOC(c4ccccc4)c4ccccc4)CC3)CCc2c1
O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccco1
COc1ccc2C=C(CN3CCN(CCOC(c4ccccc4)c4ccccc4)CC3)CCc2c1 |t:6|
Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2ccc(Br)cc2)CC1)c1ccc(F)cc1
O[C@@H]1[C@H](CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)CCc2ccccc12
O[C@H]1[C@H](CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)CCc2ccccc12
OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1
COc1ccc2[C@@H](O)[C@H](CN3CCN(CCOC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)CCc2c1
O=C1CCCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
Fc1ccc(cc1)C(OCCN1CCN(CC2CCCCC2=O)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC2CCCC2=O)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2ccco2)CC1)c1ccc(F)cc1
COc1ccc2[C@@H](O)[C@H](CN3CCN(CCOC(c4ccccc4)c4ccccc4)CC3)CCc2c1
Brc1ccc(cc1)C(=O)CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
OC1CCCC1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
COc1ccc2[C@H](O)[C@H](CN3CCN(CCOC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)CCc2c1
OC1CCCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
O[C@H]1[C@H](CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCc2ccccc12
Fc1cccc(c1)C(=O)CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccc(F)c1
OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccco1
Fc1ccc(cc1)C(OCCN1CCN(CC2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1
COc1ccc2C=C(CN3CCN(CCOC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)CCc2c1 |t:6|
OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1
OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccs1
C(CN1CCN(CC2=Cc3ccccc3CC2)CC1)OC(c1ccccc1)c1ccccc1 |t:7|
OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccs1
Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2cccc(F)c2)CC1)c1ccc(F)cc1
COc1ccc2C(=O)C(CN3CCN(CCOC(c4ccccc4)c4ccccc4)CC3)CCc2c1
O[C@@H]1[C@H](CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCc2ccccc12
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(I)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(F)cc1
N#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
[O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
COc1ccccc1CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Cc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Ic1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
COc1cccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
Fc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
FC(F)(F)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(F)cc1
COc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1
Clc1ccc(cc1Cl)C(C#N)C1CCCC1
COC(=O)[C@H]([C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1
COC(=O)[C@@H]([C@@H]1CCCCO1)c1ccc2ccccc2c1
COC(=O)[C@H]([C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1
COC(=O)C(C1CCCCC1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C(C#N)C1CCCCC1
COC(=O)C(C1CCCC1)c1ccc(Cl)c(Cl)c1
COC(=O)[C@H]([C@@H]1CCCCO1)c1ccccc1
COC(=O)[C@@H]([C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1
COC(=O)[C@@H]([C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1
COC(=O)[C@@H]([C@@H]1CCCCO1)c1ccccc1
COC(=O)[C@H]([C@@H]1CCCCO1)c1ccc2ccccc2c1
C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1 |r|
CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(C)c1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccccc1 |r|
C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1 |r|
C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(C)cc1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)cc1 |r|
C[C@H]1[C@@](OCC(N1)(C)C)(c2cccc(c2)Cl)O
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)[N+]([O-])=O |r|
COc1cccc(c1)[C@]1(O)OCC(C)(C)N[C@H]1C |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)c(F)c1 |r|
COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C |r|
CC(N)Cc1c[nH]c2ccc(F)cc12
CCC(N)Cc1c[nH]c2ccccc12
CC[C@H](N)Cc1c[nH]c2ccccc12 |r|
CC[C@@H](N)Cc1c[nH]c2ccccc12 |r|
CCC(N)Cc1c[nH]c2ccc(F)cc12
CC(N)Cc1ccc2ccccc2c1
NCCc1c[nH]c2ccccc12
CNCCc1c[nH]c2c1cccc2
Cn1cc(c2c1cccc2)CCN
NCCc1c[nH]c2cccc(F)c12
COc1cccc2[nH]cc(CCN)c12
Cc1ccc2c(c1)c(c[nH]2)CCN
c1cc2c(cc1Cl)c(c[nH]2)CCN
NCCc1c[nH]c2ccc(Br)cc12
c1cc2c(cc1F)c(c[nH]2)CCN
COc1ccc2c(c1)c(c[nH]2)CCN
NCCc1c[nH]c2cc(F)ccc12
COc1ccc2c(c1)[nH]cc2CCN
Cc1ccc2c(CCN)c[nH]c2c1
Cc1cccc2c(CCN)c[nH]c12
NCCc1c[nH]c2c(Cl)cccc12
COc1cccc2c(CCN)c[nH]c12
CC(N)Cc1c[nH]c2ccccc12
CC(N)Cc1c[nH]c2ccc(Cl)cc12
CCNCCc1c[nH]c2ccccc12
CCC(N)Cc1c[nH]c2ccc(Cl)cc12
C(N(C1CNC1)C1CCCCC1)c1ccc2ccccc2c1
C(N(C1CNC1)c1ccccc1)c1ccc2ccccc2c1
Cc1ccc(cc1)N(Cc1ccc2ccccc2c1)C1CNC1
Clc1ccc(CN(C2CC2)C2CNC2)cc1Cl
C(C1CNC1)N(Cc1ccc2ccccc2c1)c1ccccc1
Clc1ccc(CN(CC2CNC2)c2ccccc2)cc1
Clc1ccc(CN(CC2CNC2)C2CCCC2)cc1Cl
Fc1ccc(CN(CC2CNC2)c2ccccc2)cc1
Cc1cccc(CN(CC2CNC2)c2ccccc2)c1
Clc1cccc(CN(CC2CNC2)c2ccccc2)c1Cl
CC(C)N(CC1CNC1)Cc1ccc(Cl)c(Cl)c1
Clc1ccc(CN(C2CNC2)C2CCCCC2)cc1
C(N(Cc1ccc2ccccc2c1)C1CNC1)c1ccccc1
Fc1ccccc1N(Cc1ccc(Cl)cc1)C1CNC1
Clc1cccc(c1)N(Cc1ccc2ccccc2c1)C1CNC1
Clc1ccccc1CN(CC1CNC1)c1ccccc1
COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:22:21:4.10.9:6.7,THB:11:10:21:6.7,2:4:21:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7|
CCC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(F)cc1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8|
COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(Cl)c(Cl)c1 |t:4,THB:2:4:11:9.8,12:11:4.5.6:9.8|
CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
CCC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8|
COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(F)cc1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8|
COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc2ccccc2c1 |t:4,THB:2:4:11:9.8,12:11:4.5.6:9.8|
CON(C)C(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:21:20:6.12.11:8.9,THB:13:12:20:8.9,4:6:20:8.9|
CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1
COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C
CNCC1C2CCC(C2)C1c1ccc2ccccc2c1
CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1
CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1
CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1
CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,wD:4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(3.18,-2.78,;1.64,-2.8,;.89,-4.14,;.86,-1.47,;1.62,-.12,;3.16,.53,;3.41,2.42,;2.97,3.54,;2.9,1.88,;4.25,1.28,;4.53,-.1,;1.43,1.25,;.09,2.02,;-1.25,1.25,;-2.58,2.02,;-2.58,3.56,;-1.25,4.33,;-1.25,5.87,;.09,3.56,)|
CC1=NCCc2c1[nH]c1ccccc21 |t:1|
COc1ccc2c(c1)[nH]c1c(C)nccc21
COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2C |TLB:21:20:6.7:9.4.10,THB:2:4:6.7:20|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/Br)cc1)N2 |THB:2:4:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |THB:2:4:20:6.7|
[#6]-[#8]-[#6](=O)-[#6]-1-[#6]-2-[#6]-[#6]-[#6](-[#6]-[#6]-1-c1ccc(\[#6]=[#6](/Br)Br)cc1)-[#7]-2-[#6] |TLB:22:21:4.10.9:6.7,THB:2:4:21:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/Br)cc1)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7|
[#6]-[#8]-[#6](=O)-[#6]-1-[#6]-2-[#6]-[#6]-[#6](-[#6]-[#6]-1-c1ccc(\[#6]=[#6](/Br)Br)cc1)-[#7]-2 |THB:2:4:21:6.7|
Clc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1Cl
COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1
COc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1
C(CN1CCN(CCc2ccc3OCOc3c2)CC1)Cc1ccccc1
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCCc1ccccc1
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1
COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCC=C
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)ccc1O
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(F)(F)F)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
COC(=O)[C@@H]([C@H]1CCC[NH2+]1)c1ccc(C)cc1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccccc1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc(Br)cc1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc2cc(OC)ccc2c1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1
COC(=O)[C@H]([C@H]1CCC[NH2+]1)c1ccc2ccccc2c1
COC(=O)[C@@H]([C@@H]1CCC[NH2+]1)c1ccc(C)cc1
COC(=O)[C@@H]([C@H]1CCC[NH2+]1)c1ccc(Cl)cc1
COC(=O)C1C2CCC(CC1c1cccc(c1)-c1ccsc1)N2C |THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1cccc(c1)-c1ccco1)N2C |THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1cccc(c1)-c1ccccc1)N2C |THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
Cc1cc2cc(CCC(O)=O)c(O)c(O)c2c(=O)o1
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1
CNCC[C@H](Oc1cccc2c(OC)c(O)ccc12)c1cccs1
CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
CNCC[C@H](Oc1cccc2c(OS([O-])(=O)=O)c(OC)ccc12)c1cccs1
CNCC[C@H](Oc1cccc2c(O)cccc12)c1cccs1
CNCC[C@H](Oc1cccc2c(O)c(OC)ccc12)c1cccs1
CNCC[C@H](Oc1ccc(O)c2ccccc12)c1cccs1
CNCC[C@H](Oc1cccc2cc(O)ccc12)c1cccs1
Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C(CC1CNC1)Oc1ccccc1
Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1
Fc1cc(ccc1Cl)C(CC1CNC1)Oc1cccc(Cl)c1
Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1
Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1
Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1
Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1
Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1Cl
Cc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1
Cc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1
Cc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1
Clc1ccc(cc1Cl)N1CC2(CC2)CNCC1=O
Clc1ccc(cc1Cl)N1CCCNCC1=O
CC1CNCC(=O)N(C1)c1ccc(Cl)c(Cl)c1
FC1(F)CNCC(=O)N(C1)c1ccc(Cl)c(Cl)c1
CC1CCNCC(=O)N1c1ccc(Cl)c(Cl)c1
CC1CCN(c2ccc(Cl)c(Cl)c2)C(=O)CN1
CN1CCCN(c2ccc(Cl)c(Cl)c2)C(=O)C1
CC1NCCCN(c2ccc(Cl)c(Cl)c2)C1=O
CCC1NCCCN(c2ccc(Cl)c(Cl)c2)C1=O
CC1NCCCN(c2ccc3ccccc3c2)C1=O
CCC1NCCCN(c2ccc3ccccc3c2)C1=O
C[C@@H]1NCCCN(c2ccc3ccccc3c2)C1=O
C[C@H]1NCCCN(c2ccc3ccccc3c2)C1=O
Clc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Clc1cccc(c1)-c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1 |TLB:13:15:21.22.20:17.18,THB:23:21:15:17.18|
CN1CC(c2ccc3sccc3c2)c2ccc(NCCO)cc2C1
CN1C[C@H](c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1 |r|
CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)C#N
CN1CC(c2ccc3sccc3c2)c2ccc(F)cc2C1
CN1CC(c2ccc3ncccc3c2)c2ccccc2C1
CN1CC(c2ccc3ccnn3c2)c2ccccc2C1
CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12
CN(C)Cc1ccccc1Oc1ccc(I)cc1N
CN(C)Cc1ccccc1Cc1ccc(I)cc1N
CN(C)Cc1ccccc1Oc1ccc(I)cc1CO
CN1CC(c2ccc3ncsc3c2)c2ccccc2C1
CN1CC(c2ccccc2C1)c1cccc2ccsc12
CN1CC(c2ccc3ccsc3c2)c2ccc(cc2C1)N1CCOCC1
CN1CC(c2ccc3sccc3c2)c2ccc(CN)cc2C1
CN1CC(c2ccc3sccc3c2)c2ccc(O)cc2C1
COc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
CN1CC(c2ccc3sccc3c2)c2ccc(C)cc2C1
CN1CC(c2ccc3ccsc3c2)c2ccccc2C1
CN1CC(c2ccccc2C1)c1cccc2occc12
CN1CC(c2coc3ccccc23)c2ccccc2C1
CN1CC(c2ccc(F)cc2)c2ccc(C)cc2C1
FCCCN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)OCCF |TLB:19:9:4:7.6,3:4:9.10.11:7.6,THB:12:10:4:7.6|
FCCCOC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2 |TLB:14:13:21:9.10,THB:5:7:21:9.10|
CN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)NCCF |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
FCCOC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2 |TLB:13:12:20:8.9,THB:4:6:20:8.9|
COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)NCCF |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)OCCOS(=O)(=O)c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCOS(=O)(=O)c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)OCCF |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)OCCCF |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
FCCOC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |TLB:13:12:20:8.9,THB:4:6:20:8.9|
COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
OC1(CCN(CCCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
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|
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|
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|
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)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
Fc1ccc(cc1)N(CCCN1CCN(CCc2ccc(N=[N+]=[N-])c(I)c2)CC1)c1ccc(F)cc1
Ic1cc(CCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)ccc1N=[N+]=[N-]
Fc1ccc(cc1)N(CCCN1CCN(CCCc2ccc(N=[N+]=[N-])c(I)c2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCc2ccc(SC#N)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(Cc2ccc(N=[N+]=[N-])c(I)c2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(Cc2ccc(SC#N)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCc2ccc(SC#N)c(I)c2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCCc2ccc(SC#N)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCCc2ccc(SC#N)c(I)c2)CC1)c1ccc(F)cc1
COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCOc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1O |r|
COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1cc(O)cc(O)c1)C(c1ccccc1)c1ccccc1 |r|
COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r|
COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)cn1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)c(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cn1 |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1F |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c(F)c1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2occc2c1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccccc1)c1ccccc1 |r|
COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)ccc1O |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)ccc1O |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCCc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@H](-[#8])-[#6](-[#8])=O |r|
[H][C@@]1(CCCN1)C(C)C(O)=O |r|
[H][C@@]1(CCCN1)[C@H](O)C(O)=O |r|
[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)[#6@H](-[#8])-[#6](-[#8])=O |r|
COc1ccc(cc1)C(c2ccc(cc2)OC)(c3ccc(cc3)OC)OCCN4CCC[C@@H](C4)C(=O)O
C1C[C@@H](NC1)CC(=O)O
OC(=O)C(F)(F)F.[H][C@@]1(CCCN1)[C@@H](N)C(O)=O |r|
C1C[C@H](NC1)CC(=O)O
[H][C@@]1(CCCN1)[C@@H](O)C(O)=O |r|
[H][C@@]1(CCCN1CCOC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)[C@@H](O)C(O)=O |r|
[#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)[#6@@H](-[#7])-[#6](-[#8])=O |r|
[#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@@H](-[#7])-[#6](-[#8])=O |r|
COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
Cc1ccc(Sc2ccccc2CNCC=C)c(N)c1
CN(C)Cc1ccccc1Sc1ccc(CF)cc1N
CN(C)Cc1ccccc1Sc1ccc(CCF)cc1N
CCNCc1ccccc1Sc1ccc(C)cc1N
Cc1ccc(Sc2ccccc2CNCCCF)c(N)c1
CCCNCc1ccccc1Sc1ccc(C)cc1N
CN(C)Cc1ccccc1Sc1cc(F)c(C)cc1N
CN(C)Cc1ccccc1Sc1ccc(F)cc1N
CN(C)Cc1ccccc1Sc1ccc(CCCF)cc1N
Cc1ccc(Sc2ccccc2CN)c(N)c1
CN(C)Cc1ccccc1Sc1ccc(CO)cc1N
Cc1ccc(Sc2ccccc2CNCCF)c(N)c1
COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccc(SC)cc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccccc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccccc1OC |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccc(SC)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1c(F)cccc1F |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(F)cc1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccc(F)cc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(OC)c1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(c1)C(F)(F)F |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(F)c(F)c1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1cc(F)ccc1F |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccccc1F |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1cccs1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1cccc(F)c1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccsc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(F)c1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccsc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(C)c(F)c1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
CNCc1ccccc1Sc1ccc(CO)cc1N
CN(C)Cc1ccccc1Sc1ccc(C=C)cc1N
CCc1ccc(Sc2ccccc2CN(C)C)c(N)c1
CCc1ccc(Sc2ccccc2CNC)c(N)c1
CN(C)Cc1ccccc1Sc1ccc(CCO)cc1N
CN(C)Cc1ccccc1Sc1ccc(CCCO)cc1N
CN(C)Cc1ccccc1Sc1ccccc1N
CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
CNCCCC1Cc2ccccc2N(C1=O)c1ccc(cc1)C(F)(F)F
CNCCCC1Cc2ccccc2N(C1=O)c1ccc(F)cc1
CNCCCC1(Cc2ccccc2N(C1=O)c1ccc(C)cc1)C(C)C
CNCCCC1Cc2ccccc2N(C1=O)c1cccc(F)c1
CCCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccc(C)cc1
CNCCCC1Cc2cc(F)ccc2N(C1=O)c1ccc(C)cc1
CNCCCC1Cc2cc(Cl)ccc2N(C1=O)c1ccc(C)cc1
CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(cc1)C(C)C
CNCCCC1(C)Cc2ccccc2N(C1=O)c1cc(F)cc(F)c1
CNCCC1Cc2ccccc2N(C1=O)c1ccccc1
CCCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccccc1
CCCCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccc(C)cc1
CNCCCC1Cc2ccccc2N(C1=O)c1ccc(Cl)cc1
CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(C)cc1
CNCCCC1(C)Cc2ccccc2N(C1=O)c1cccc(C)c1
CNCCCC1(C)Cc2ccccc2N(C1=O)c1cc(Cl)cc(Cl)c1
CNCCCC1Cc2ccccc2N(C1=O)c1ccc(Cl)c(Cl)c1
CNCCCC1Cc2ccccc2N(C1=O)c1cccc(Cl)c1
CCc1ccc(cc1)N1C(=O)C(CCCNC)Cc2ccccc12
CNCCCC1Cc2ccccc2N(C1=O)c1ccccc1
CNCCCC1Cc2ccccc2N(C1=O)c1ccc(C)cc1
CCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccc(C)cc1
CCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccccc1
CNCCCCC1Cc2ccccc2N(C1=O)c1ccccc1
CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccccc1
CCC1(CCCNC)Cc2cc(Cl)ccc2N(C1=O)c1ccc(C)cc1
CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(F)c(F)c1
C[N+]1(CCl)C2CCC1C=C(C2)c1ccccc1-c1ccccc1 |c:9,TLB:0:1:9.10.8:5.6,THB:2:1:9.10.8:5.6,11:9:1:5.6|
CN1C2CCC1C=C(C2)c1ccccc1-c1ccccc1 |c:7,THB:9:7:1:3.4|
CN1C2CCC1CC(O)(C2)C1c2ccccc2-c2ccc(Br)cc12 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4|
CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12 |c:7,THB:9:7:1:3.4|
CN1C2CCC1CC(O)(C2)c1cccc(c1)-c1ccccc1 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4|
CN1C2CCC1C=C(C2)c1cccc(c1)-c1ccccc1 |c:7,THB:9:7:1:3.4|
CN1C2CCC1CC(O)(C2)c1ccccc1-c1ccccc1 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4|
CN1C2CCC1CC(O)(C2)C1c2ccccc2-c2ccccc12 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4|
CN1C2CCC1C=C(C2)C1c2ccccc2-c2ccccc12 |c:7,THB:9:7:1:3.4|
CN1C2CCC1C=C(C2)c1ccc-2c(Cc3ccccc-23)c1 |c:7,THB:9:7:1:3.4|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(F)c1)N2C |TLB:25:24:6.7:4.10.9,THB:2:4:6.7:24,11:10:6.7:24|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncnc1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2 |THB:2:4:6.7:25,11:10:6.7:25|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)N(C)C)N2C |TLB:27:26:6.7:4.10.9,THB:2:4:6.7:26,11:10:6.7:26|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccnc1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(F)cc(F)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccn1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccoc1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnccn1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnc3ccccc3c1)N2C |TLB:28:27:6.7:4.10.9,THB:2:4:6.7:27,11:10:6.7:27|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccncc1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
[H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
[H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOC(=O)[C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)c(Cl)c3)N4C)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:37.37,43.45,TLB:44:43:39.40:52,THB:35:37:39.40:52,(14.91,-13.52,;16.26,-12.74,;16.26,-11.19,;14.91,-10.41,;13.57,-11.19,;17.6,-10.42,;17.61,-8.86,;18.96,-8.08,;20.29,-8.87,;21.63,-8.11,;21.64,-6.57,;20.31,-5.78,;20.32,-4.23,;21.66,-3.48,;23,-4.26,;22.99,-5.8,;24.32,-6.58,;25.65,-7.36,;23.55,-7.91,;25.11,-5.26,;21.67,-1.93,;23.22,-1.94,;20.13,-1.92,;21.68,-.39,;20.34,.38,;19.01,-.39,;17.68,.37,;17.67,1.91,;16.34,2.68,;15,1.9,;15.01,.37,;13.67,2.67,;12.34,1.9,;11,2.66,;9.67,1.89,;8.33,2.65,;8.33,4.19,;7,1.88,;5.6,2.5,;4.29,1.8,;4,.35,;4.98,1.06,;6.36,1.13,;7.37,.41,;8.11,-.82,;9.54,-.79,;10.28,-2.01,;9.58,-3.28,;10.32,-4.5,;8.15,-3.3,;7.45,-4.55,;7.41,-2.07,;4.95,3.6,;4.57,4.98,;22.97,-8.88,;24.31,-8.12,;25.65,-8.89,;25.64,-10.44,;24.3,-11.21,;22.97,-10.43,;21.62,-11.2,;20.29,-10.42,;18.95,-11.19,;26.99,-11.21,;28.33,-10.44,;29.67,-11.21,;26.98,-12.76,;28.33,-13.54,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NC[C@H]3CC[C@@H](CC3)C(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:28.32,41.56,42.47,wD:25.25,TLB:52:41:36:39.38,35:36:39.38:41.42.43,(9.23,-9.98,;7.89,-9.2,;7.9,-7.65,;9.25,-6.88,;10.59,-7.67,;6.57,-6.86,;6.58,-5.31,;5.23,-4.52,;3.89,-5.29,;2.56,-4.52,;2.56,-2.98,;3.9,-2.2,;3.9,-.66,;2.57,.11,;1.22,-.66,;1.22,-2.2,;-.11,-2.97,;-1.45,-3.74,;.65,-4.3,;-.89,-1.64,;2.57,1.65,;1.03,1.66,;4.11,1.66,;2.58,3.19,;3.92,3.95,;5.24,3.17,;5.23,1.63,;6.56,.86,;7.88,1.61,;7.92,3.15,;6.58,3.94,;9.21,.83,;9.19,-.71,;10.56,1.59,;11.87,.8,;11.86,-.74,;13.18,-1.53,;13.24,-4.06,;12.25,-4.78,;12.54,-3.33,;13.84,-2.62,;15.25,-3.22,;15.63,-4.69,;14.61,-3.98,;17.01,-5.07,;18.02,-4.06,;19.4,-4.44,;19.76,-5.84,;21.14,-6.21,;18.75,-6.84,;19.1,-8.23,;17.36,-6.46,;16.57,-2.44,;16.55,-.9,;17.91,-3.2,;19.24,-2.41,;1.21,-5.29,;-.12,-4.51,;-1.46,-5.27,;-1.47,-6.82,;-.13,-7.6,;1.2,-6.83,;2.54,-7.61,;3.88,-6.85,;5.21,-7.62,;-2.82,-7.57,;-4.15,-6.79,;-5.5,-7.56,;-2.83,-9.12,;-4.18,-9.89,)|
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(=Cc4ccc(cc4C3(C)C)N(C)C)cc2CCC1 |c:31,35,TLB:20:19:6.7:4.10.9,THB:2:4:19:6.7|
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CNS(C)(=O)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)NC
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CO)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(N)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-n1cncn1
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(=O)NC
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(N)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-n1ccnn1
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(O)=O)c(NS(C)(=O)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(C)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(O)=O)c12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(=O)N(C)C
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)NC
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(N)=O)c12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C#N
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CS(C)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(N)=O)c(NS(C)(=O)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)N(C)C
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)OC
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)NCCO
CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(N)(=O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(NS(C)(=O)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(C)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)[N+]([O-])=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(=O)NC)c12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(C)(=O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(O)=O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(C)(=O)=O
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)N(C)C
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(N)=O
CN1CC[C@H]([C@H](CSCCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CNC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCC(=O)NCCc2ccccc2)C1)c1ccc(Cl)cc1
CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCCOC(C)=O)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)NCCc2ccccc2)C1)c1ccc(Cl)cc1
CNC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
COC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
COC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1
CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCCO)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1
CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCCOC(C)=O)C1)c1ccc(Cl)cc1
CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
CNC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCCO)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCCO)C1)c1ccc(Cl)cc1
COC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)Nc2cccc3ccccc23)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CN(C)C(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCCOC(C)=O)C1)c1ccc(Cl)cc1
CN(C)Cc1ccccc1-c1cc(C)ccc1N
CN(C)Cc1ccccc1Nc1ccc(C)cc1N
CN(C)Cc1ccccc1Oc1ccc(C)cc1N
CCN(c1ccc(C)cc1N)c1ccccc1CN(C)C
CN(C)Cc1ccccc1C(=O)c1ccc(C)cc1N
CN(C)Cc1ccccc1N(c1ccccc1)c1ccc(C)cc1N
CN(C)Cc1ccccc1N(C)c1ccc(C)cc1N
CN(C)Cc1ccccc1C(O)c1ccc(C)cc1N
CN(C)Cc1ccccc1S(=O)c1ccc(C)cc1N
CN(C)Cc1ccccc1N(Cc1ccccc1)c1ccc(C)cc1N
CN(C)Cc1ccccc1S(=O)(=O)c1ccc(C)cc1N
COC(c1ccc(C)cc1N)c1ccccc1CN(C)C
C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CC(C)CN(Cc1ccc(F)cc1)C1CCNCC1
CC(C)CN(Cc1ccc(cc1F)C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccccc1C)C1CCNCC1
CC(C)CN(Cc1cccc(C)c1)C1CCNCC1
CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1cccc(F)c1)C1CCNCC1
CC(C)CN(Cc1ccccc1C(F)(F)F)C1CCNCC1
CC(C)CN(Cc1ccccc1F)C1CCNCC1
CC(C)CN(Cc1ccc(Cl)cc1Cl)C1CCNCC1
CC(C)CN(Cc1cccc(c1)C#N)C1CCNCC1
CC(C)CN(Cc1ccccc1Cl)C1CCNCC1
CC(C)CN(Cc1ccc(F)cc1F)C1CCNCC1
O[C@@H](CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
N[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
C[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
C[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCCC1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(F)cc1
O[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
C[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
C[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
N[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
O[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(F)cc1
O[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
O[C@@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
O[C@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Fc1ccc(cc1)C(OCCC1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1 |t:17|
O[C@H](CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O[C@@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
SCCCCCCCCCCC(=O)Nc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccc(NC(=O)CCCCCCCCCCNC(=O)CCCCC3SCC4NC(=O)NC34)cc2)CC1)c1ccc(F)cc1
O=C(CCCCC1SCC2NC(=O)NC12)Nc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccc(NC(=O)CCCCC3SCC4NC(=O)NC34)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccc(NC(=O)CCCCCCCCCCS)cc2)CC1)c1ccc(F)cc1
Cc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
Ic1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Cl)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14|
Brc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(C)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14|
Clc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Br)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14|
CN1[C@@H](CCc2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1
CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1
CN1[C@@H](CCc2ccccc2)CCC[C@H]1C[C@@H](O)c1ccccc1
CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1
CN1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1
CN1[C@H](CCc2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1
CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1\C=C\c1ccccc1
CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1\C=C\c1ccccc1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1nccs1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccco1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(C=O)cc1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(I)cc1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccsc1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(\C=C/I)cc1
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC=C)cc(c1)C(C)=O
CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(F)F)cc(c1)C(C)=O
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)cc(c1)C(C)=O
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCCO)cc(c1)C(C)=O
CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(c1)C(C)=O
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCF)cc(c1)C(C)=O
CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(c1)C(C)=O
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)cc(c1)C(C)=O
CC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
O=C(NCCC[C@H]1C[C@H](Cc2ccccc2)CCN1)Nc1cccc(c1)C#N
CCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
CC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC#C)cc(c1)C(C)=O
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(N)=O)cc(c1)C(C)=O
CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC=C)c1
CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC2CC2)c1
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(N)=N)cc(c1)C(C)=O
CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)c1
CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)c1
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N)c(I)c1)N2C |TLB:11:10:25:7.6,THB:2:4:25:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C |TLB:11:10:18:7.6,THB:2:4:18:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N)cc1)N2C |TLB:11:10:24:7.6,THB:2:4:24:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)N2C |TLB:11:10:26:7.6,THB:2:4:26:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N=[N+]=[N-])c(I)c1)N2C |TLB:11:10:27:7.6,THB:2:4:27:7.6|
COc1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:11.17,10.10|
Ic1ccccc1OC(C1CNCCO1)c1ccccc1 |w:9.10,8.8|
CCOc1ccccc1OC(C1CNCCO1)c1cccc(I)c1 |w:11.12,10.10|
COc1ccccc1OC(C1CNCCO1)c1ccc(I)s1 |w:10.16,9.9|
Cc1ccccc1OC(C1CNCCO1)c1cccc(I)c1 |w:9.10,8.8|
[O-][N+](=O)c1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:12.13,11.11|
Cc1ccccc1OC(C1CNCCO1)c1ccc(I)s1 |w:9.15,8.8|
COc1ccccc1OC(C1CNCCO1)c1cccc(I)c1 |w:10.11,9.9|
FC(F)(F)c1ccccc1OC(C1CNCCO1)c1cccc(I)c1 |w:12.13,11.11|
Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Cl.OCC1(CCCNCC1)c1ccc(Cl)c(Cl)c1
Cl.OCC1(CCNCCO1)c1ccc(Cl)c(Cl)c1
Cl.OC[C@@]1(CCNCCO1)c1ccc(Cl)c(Cl)c1 |r|
Cl.OC[C@]1(CCNCCO1)c1ccc(Cl)c(Cl)c1 |r|
Cl.OC[C@@H]1CNCCO[C@@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.OC[C@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.OC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.OC[C@H]1CNCCO[C@@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.NC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.CNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.CN(C)C(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
OC(=O)\C=C\C(O)=O.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
Cl.CC(=O)NCC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r|
CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
OC(=O)\C=C\C(O)=O.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(F)c(Cl)c1 |r|
Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(C)c1 |r|
Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(C)c(Cl)c1 |r|
CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8|
CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8|
COc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12
O[C@@H]1[C@@H](CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCc2ccccc12
Fc1ccc(cc1)C(OCCN1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC23CC4CC(CC(C4)C2)C3)CC1)c1ccc(F)cc1 |THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22,15:16:19:23.21.22|
Fc1ccc(cc1)C(OCCC1CCN(C[C@@H]2Cc3ccccc3CN2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCC1CCN(C[C@H]2Cc3ccccc3CN2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCCl)CC1)c1ccc(F)cc1
C(CN1CCC(Cc2ccccc2)=CC1)C(N1CCCC1)c1csc2ccccc12 |c:13|
C(CN1CCC(Cc2ccccc2)=CC1)C(N1CCOCC1)c1csc2ccccc12 |c:13|
Clc1ccc(cc1Cl)C(CCN1CCC(Cc2ccccc2)=CC1)N1CCCC1 |c:23|
Clc1ccc(cc1Cl)C(CCN1CCOCC1)N1CCCC1
CN(C)CCC(N1CCCC1)c1cc2ccccc2s1
CN(C)CCC(N1CCCC1)c1csc2ccccc12
CN(C)CCC(N1CCOCC1)c1ccc(Cl)c(Cl)c1
CN(C)CCC(N1CCCCC1)c1ccc(Cl)c(Cl)c1
CN(C)CCC(N1CCCC1)c1ccc(Cl)c(Cl)c1
COc1ccc2cc(ccc2c1Cl)C(CCN(C)C)N1CCCC1
CCN(CC)CCC(N1CCCC1)c1ccc(Cl)c(Cl)c1
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(\C=C\I)c1)N2 |TLB:11:10:20:7.6,THB:2:4:20:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(\C=C\Br)c1)N2 |TLB:11:10:20:7.6,THB:2:4:20:7.6|
Fc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C(F)(F)F
Clc1cccc(CN(CC2CC2)[C@H]2CCNC2)c1Cl
Cc1cccc(CN([C@@H]2CCNC2)C2CCOCC2)c1C
Cc1c(CN([C@H]2CCNC2)C2CCOCC2)cccc1C(F)(F)F
Fc1ccc(CN([C@H]2CCNC2)C2CCOCC2)c(F)c1F
COc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C
Clc1cccc(CN(Cc2ccccn2)[C@H]2CCNC2)c1Cl
Clc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1Cl |r|
Clc1cccc(CN(Cc2ccccn2)[C@@H]2CCNC2)c1Cl
Cc1cccc(CN(Cc2ccccn2)[C@H]2CCNC2)c1C
C(N([C@H]1CCNC1)C1CCOCC1)c1ccccc1-c1ccccc1 |r|
Cc1cccc(CN(Cc2ccccn2)[C@@H]2CCNC2)c1C
Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1
Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C |r|
Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1Cl
Cc1c(Cl)cccc1CN([C@H]1CCNC1)C1CCOCC1
Clc1cccc(CN(CC2CC2)[C@@H]2CCNC2)c1Cl
FC(F)(F)c1ccccc1CN([C@H]1CCNC1)C1CCOCC1
COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1cccc(Cl)c1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccc(Cl)c1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc(OC)cc1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccs1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccsc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccsc1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccc2ccccc12
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc(Cl)cc1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc2ccccc2c1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc(F)cc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1cccc2ccccc12
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc(F)cc1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc(Cl)cc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc2ccccc2c1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc(OC)cc1
CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6|
CN(C)[C@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6|
CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |w:3.2,c:6|
CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(cc1)C#C)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCCCC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCC(F)CC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN(C)C1CC1
CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C#CCCN1CCOCC1
CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCOCC1
CN(C)Cc1cc(F)ccc1Sc1ccc(Cl)cc1N
CN(C)Cc1cc(Cl)ccc1Oc1ccc(F)cc1N
CN(C)Cc1cc(F)ccc1Oc1ccc(C)cc1N
CN(C)Cc1cc(F)ccc1Sc1ccc(C)cc1N
CN(C)Cc1ccccc1Oc1ccc(F)cc1N
CN(C)Cc1cc(F)ccc1Sc1ccc(cc1N)C#N
CN(C)Cc1cc(F)ccc1Oc1ccc(cc1N)C#N
FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |w:10.9,12.13,7.24,6.5,TEB:4:6:8.9:22,13:12:8.9:22|
C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r|
CC(C)OC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6|
COC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:4|
FC(F)(F)COC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:8|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)N1CCOCC1 |t:9|
OCCOC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1cccs1 |t:9|
FCCOC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6|
CONC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:5|
Cc1cccc(OC(=O)C2=C(CCC2)c2ccc(Cl)c(Cl)c2)c1 |t:9|
Cc1ccccc1OC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:11|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NC1CCC1 |t:9|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OCc1cccs1 |t:9|
FCCNC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)Oc1ccccc1 |t:9|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OC1CCCCC1 |t:9|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1ccco1 |t:9|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OCc1ccco1 |t:9|
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)N1CCCC1 |t:9|
CON(C)C(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6|
CCN(CC)C(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:7|
CNC(C)C(=O)c1ccc2OCCOc2c1
CNC(C)Cc1ccc2OCCOc2c1
CN[C@@H](C)Cc1ccc2OCCOc2c1 |r|
CN[C@H](C)Cc1ccc2OCCOc2c1 |r|
Brc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(Br)cc2)cc1
CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(Br)cc1N
CN(C)Cc1cc(OCCF)ccc1Sc1ccccc1N
CN(C)Cc1cc(OCCCO)ccc1Sc1ccc(Br)cc1N
CN(C)Cc1cc(OCCO)ccc1Sc1ccc(F)cc1N
CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(F)cc1N
CN(C)Cc1cc(O)ccc1Sc1ccccc1N
COc1ccc(Sc2ccccc2N)c(CN(C)C)c1
CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Br)cc1N
CN(C)Cc1cc(OCCCO)ccc1Sc1ccccc1N
CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Cl)cc1N
CN(C)Cc1cc(OCCCF)ccc1Sc1ccccc1N
CN(C)Cc1cc(OCCO)ccc1Sc1ccccc1N
CN(C)Cc1cc(OCCF)ccc1Sc1ccc(F)cc1N
CN(C)Cc1cc(F)ccc1Sc1ccc(CO)cc1N
CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N
CN(C)Cc1cc(I)ccc1Sc1ccc(CO)cc1N
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
COc1cccc2CN(CCCc3c[nH]c4ccc(F)cc34)CCc12
COc1ccc2CN(CCCc3c[nH]c4ccc(F)cc34)CCc2c1
COc1cccc2CN(CCCc3c[nH]c4ccc(I)cc34)CCc12
COc1ccc2CN(CCCc3c[nH]c4ccc(I)cc34)CCc2c1
COc1cccc2CN(CCCc3c[nH]c4ccc(Br)cc34)CCc12
COc1ccc2CN(CCCc3c[nH]c4ccc(Br)cc34)CCc2c1
CN1CCN(CC(c2cccc(Cl)c2)C2(O)CCCCC2)CC1
OC1(CCCCC1)[C@H](CN1CCNCC1)c1cccc(Cl)c1 |r|
OC1(CCCCC1)[C@@H](CN1CCNCC1)c1cccc(Cl)c1 |r|
OC1(CCCCC1)C(CN1CCNCC1)c1cccc(Cl)c1
CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
CN1CCN(C[C@@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
CNCc1ccccc1Cc1ccc(Cl)c(Cl)c1
CN(C)Cc1cc(CNS(C)(=O)=O)ccc1Oc1ccc(OC(F)(F)F)cc1
CN(C)Cc1cc(ccc1Oc1ccc(OC(F)(F)F)cc1)C(=O)N(C)C
CNC(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(CN(C)C)c1
CN(C)Cc1cc(ccc1Oc1ccc(OC(F)(F)F)cc1)C(N)=O
CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(cc1)C(F)(F)F
CN(C)Cc1cc(ccc1Oc1ccc(OC(F)(F)F)cc1)S(N)(=O)=O
CSc1ccc(Sc2ccc(cc2CN(C)C)N(C)S(C)(=O)=O)cc1
CSc1ccc(Sc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1
CNCc1cc(NS(C)(=O)=O)ccc1Sc1ccc(SC)cc1
CN(C)Cc1cc(NS(C)(=O)=O)ccc1Sc1ccc(cc1)C(F)(F)F
CN(C)Cc1cc(ccc1S(=O)c1ccc(cc1)C(F)(F)F)S(N)(=O)=O
CN(C)Cc1cc(ccc1Sc1cccc(c1)C(F)(F)F)S(N)(=O)=O
CN(C)Cc1cc(ccc1Sc1ccc(cc1)C(F)(F)F)S(N)(=O)=O
CN(C)Cc1cc(ccc1Cc1ccc(Cl)c(Cl)c1)S(N)(=O)=O
CNCc1cc(ccc1Cc1ccc(Cl)c(Cl)c1)S(N)(=O)=O
CN(C)Cc1cc(ccc1Cc1ccc(Cl)c(Cl)c1)C(N)=O
CNCc1cc(ccc1Cc1ccc(Cl)c(Cl)c1)C(N)=O
CSc1ccc(Oc2ccc(Br)cc2CN(C)C)cc1
CSc1ccc(Oc2ccc(Cl)cc2CN(C)C)cc1
CSc1ccc(Oc2ccc(F)cc2CN(C)C)cc1
CN(C)Cc1ccccc1Oc1ccc(CC2CC2)cc1
CN(C)Cc1ccccc1Oc1ccc(cc1)C1CC1
CN(C)Cc1ccccc1Oc1ccc(Br)cc1
CCOc1ccc(Oc2ccccc2CN(C)C)cc1
COc1ccc(Oc2ccccc2CN(C)C)cc1
CN(C)Cc1ccccc1Oc1ccc(OC(F)(F)F)cc1
CN(C)Cc1cc(Br)ccc1Oc1ccc(cc1)C(F)(F)F
CN(C)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
CN(C)Cc1ccccc1Oc1cccc(Cl)c1
CN(C)Cc1ccccc1Oc1ccc(Cl)cc1
CSc1ccc(Sc2ccccc2CN(C)C)cc1
CN(C)Cc1ccccc1Sc1cccc(Cl)c1
CN(C)Cc1ccccc1Sc1cccc(c1)C(F)(F)F
CN(C)Cc1ccccc1Sc1ccc(cc1)C(F)(F)F
CNCc1ccccc1Sc1ccc(cc1)C(F)(F)F
CSc1ccc(Cc2ccccc2CN(C)C)cc1
CNCc1ccccc1Cc1ccc(SC)cc1
CN(C)Cc1ccccc1C(=O)c1ccc(Cl)c(Cl)c1
CN(C)Cc1ccccc1C(O)c1ccc(Cl)c(Cl)c1
CN(C)Cc1ccccc1Cc1ccc(Cl)c(Cl)c1
CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
CS(=O)(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r|
CSc1ccccc1CN([C@H]1CCNC1)S(C)(=O)=O |r|
CS(=O)(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1 |r|
FC(F)(F)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CC(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
O=C(N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1)N1CCCC1 |r|
CN(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1 |r|
CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
COC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r|
CSc1ccccc1CN([C@H]1CCNC1)C(=O)C(C)C |r|
CC(C)C(=O)N(Cc1ccccc1C1CC1)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
O=CN(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
C(N[C@H]1CCNC1)c1ccccc1-c1ccccc1 |r|
CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1 |r|
CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1cc(Cl)cc(Cl)c1Cl)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r|
CC(C)(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:12.15,9.8,(-6.79,-2.79,;-6.31,-4.25,;-5.83,-5.72,;-6.86,-6.87,;-6.38,-8.33,;-4.87,-8.64,;-4.09,-9.98,;-2.57,-9.65,;-2.42,-8.11,;-1.09,-7.33,;.25,-8.11,;1.58,-7.34,;1.58,-5.8,;.24,-5.03,;-1.1,-5.81,;2.91,-5.03,;2.91,-3.5,;4.25,-2.73,;5.58,-3.5,;6.91,-2.74,;8.23,-3.51,;8.23,-5.05,;6.89,-5.81,;5.57,-5.04,;4.25,-5.81,;-3.84,-7.48,;-4.32,-6.03,)|
FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:18.23,wD:15.16,(32.71,-15.26,;32.72,-13.72,;31.38,-12.95,;31.39,-11.41,;30.05,-10.64,;28.72,-11.4,;28.71,-12.95,;27.38,-13.71,;26.06,-12.93,;24.73,-13.7,;23.4,-12.92,;23.39,-11.39,;24.73,-10.62,;26.07,-11.4,;27.39,-10.64,;22.07,-13.7,;20.73,-12.93,;19.39,-13.7,;19.4,-15.23,;20.74,-16.01,;22.07,-15.24,;18.07,-16,;17.91,-17.55,;16.4,-17.88,;15.62,-16.54,;14.11,-16.22,;13.63,-14.76,;14.66,-13.61,;16.16,-13.92,;16.65,-15.38,;14.17,-12.15,;13.69,-10.68,)|
FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:15.16,18.23,(10.45,-15.31,;10.45,-13.77,;9.11,-13,;9.12,-11.46,;7.78,-10.69,;6.45,-11.46,;6.45,-13,;5.11,-13.76,;3.79,-12.99,;2.46,-13.76,;1.13,-12.98,;1.13,-11.45,;2.47,-10.68,;3.8,-11.45,;5.13,-10.69,;-.2,-13.75,;-.2,-15.29,;-1.53,-16.06,;-2.87,-15.28,;-2.88,-13.76,;-1.54,-12.98,;-4.2,-16.06,;-4.35,-17.6,;-5.87,-17.93,;-6.65,-16.59,;-8.16,-16.28,;-8.64,-14.82,;-7.61,-13.66,;-6.11,-13.97,;-5.62,-15.43,;-8.09,-12.2,;-8.58,-10.74,)|
COc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:15.20,wD:12.13,(32.14,4.98,;30.81,5.75,;29.47,4.98,;29.47,3.44,;28.13,2.68,;26.81,3.46,;25.49,2.69,;24.15,3.46,;24.15,5,;25.49,5.76,;26.82,4.99,;28.15,5.75,;22.82,2.69,;21.48,3.46,;20.15,2.69,;20.15,1.16,;21.49,.38,;22.82,1.15,;18.82,.38,;18.67,-1.16,;17.15,-1.49,;16.37,-.15,;14.86,.16,;14.38,1.63,;15.41,2.78,;16.92,2.47,;17.4,1.01,;14.93,4.24,;14.45,5.7,)|
COc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:12.13,15.20,(10.58,5.27,;9.25,6.04,;7.91,5.27,;7.91,3.73,;6.57,2.97,;5.25,3.74,;3.93,2.97,;2.59,3.75,;2.59,5.28,;3.93,6.05,;5.26,5.28,;6.59,6.04,;1.26,2.98,;1.26,1.44,;-.07,.67,;-1.41,1.45,;-1.41,2.97,;-.08,3.75,;-2.74,.67,;-2.89,-.87,;-4.41,-1.2,;-5.19,.14,;-6.69,.45,;-7.18,1.91,;-6.15,3.07,;-4.64,2.76,;-4.16,1.3,;-6.63,4.53,;-7.11,5.99,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:9.8,wD:12.15,(14.62,-2.1,;15.1,-3.56,;15.58,-5.02,;14.55,-6.17,;15.04,-7.64,;16.54,-7.95,;17.32,-9.29,;18.84,-8.96,;19,-7.42,;20.33,-6.64,;20.32,-5.11,;21.65,-4.34,;22.99,-5.11,;22.99,-6.65,;21.66,-7.42,;24.32,-4.34,;24.32,-2.8,;25.66,-2.04,;26.99,-2.81,;28.32,-2.05,;29.64,-2.82,;29.64,-4.36,;28.31,-5.12,;26.98,-4.35,;25.66,-5.11,;17.58,-6.79,;17.09,-5.33,)|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1Cl |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1CSc2ccccc2[C@@H]1Oc1ccccc1Cl |r|
Cc1ccccc1O[C@@H]1[C@H](CN)COc2ccccc12 |r|
CNC[C@@H]1COc2ccccc2[C@@H]1Oc1ccccc1C |r|
CN(C)C[C@@H]1COc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1COc2ccccc2[C@@H]1Oc1ccccc1Cl |r|
CNC[C@H]1Cc2ccccc2[C@@H]1Oc1cccc2ccccc12 |r|
CNC[C@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1cccc2ccccc12 |r|
CN(C)C[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)C(F)(F)F |r|
CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)C(F)(F)F |r|
CN(C)C[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(C)cccc1F |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(F)cccc1C(F)(F)F |r|
CCc1cccc(F)c1O[C@@H]1[C@H](CNC)OCc2ccccc12 |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cc(F)ccc1C |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccc(F)cc1C |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(Cl)c1C |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(F)c1C |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1C(F)(F)F |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1SC |r|
CNC[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1SC |r|
CCOc1ccccc1O[C@@H]1[C@@H](CNC)OCc2ccccc12 |r|
CNC[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1OC |r|
CCc1ccccc1O[C@@H]1[C@@H](CNC)OCc2ccccc12 |r|
CCc1ccccc1O[C@@H]1[C@H](CNC)OCc2ccccc12 |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1F |r|
CNC[C@H]1CCc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1Cl |r|
CNC[C@H]1CS(=O)(=O)c2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@H]1CSc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@H]1COc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1CCc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@H]1SCc2ccccc2[C@@H]1Oc1ccccc1Cl |r|
Cc1ccccc1O[C@@H]1[C@H](CN)OCc2ccccc12 |r|
C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccc(I)cc1 |r|
CCOc1ccccc1O[C@@H]([C@H]1CNCCO1)c1ccc(I)cc1 |r|
CN(C)Cc1cc(ccc1Oc1ccc(cc1)S(C)=O)S(N)(=O)=O
CNS(=O)(=O)c1ccc(Oc2ccc(cc2)S(C)=O)c(CN(C)C)c1
CN(C)Cc1cc(ccc1Oc1ccc(c(C)c1)S(C)=O)S(N)(=O)=O
CNCc1ccccc1Sc1ccc(C)cc1NC(=O)c1ccc(F)cc1
CN(C)Cc1ccccc1Sc1ccc(C)cc1NC(=O)c1ccc(F)cc1
CN(C)Cc1ccccc1Sc1ccc(C)cc1NC(=O)c1ccc(cc1)[N+]([O-])=O
CNCc1ccccc1Sc1ccc(C)cc1NCc1ccc(F)cc1
CN(C)Cc1ccccc1Sc1ccc(C)cc1NCc1ccc(cc1)[N+]([O-])=O
CN(C)Cc1ccccc1Sc1ccc(C)cc1NCc1ccc(F)cc1
CNCC1(O)Cc2ccccc2C1Oc1ccccc1C
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1C |r|
CNC[C@@]1(O)Cc2ccccc2[C@H]1Oc1ccccc1C |r|
CNCC1(O)Cc2ccccc2C1Sc1ccccc1C
CNCC1(O)Cc2ccccc2C1Cc1ccccc1C
CNC[C@@]1(Cc2ccccc2[C@@H]1Oc1ccccc1C)OC |r|
CCNCC1(O)Cc2ccccc2C1Oc1ccccc1C
Cc1ccccc1OC1c2ccccc2CC1(O)CNCCO
Cc1ccccc1OC1c2ccccc2CC1(O)CN
Cc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CN |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1-c1cccc2ccccc12 |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1F |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1Cl |r|
CCc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CNC |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1OC |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1SC |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1CO |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(C)c1C |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(C)cc1C |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(F)c1C |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(F)cc1C |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cc(F)ccc1C |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1c(C)cccc1F |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(O)c1C |r|
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(O)cc1C |r|
CNCCC(c1c[nH]c2ccccc12)c1ccccc1
CCCCC1(CCNC1)c1ccc2[nH]ccc2c1
CCCC1(CCNC1)c1ccc2[nH]ccc2c1
CC1(CCNC1)c1ccc2[nH]ccc2c1
N#Cc1c[nH]c2ccc(cc12)C1(Cc2ccccc2)CCNC1
CN(C)C(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
CNC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
NC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
N#Cc1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
CCOC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
Cn1ccc2cc(ccc12)C1(Cc2ccccc2)CCNC1
C(CC1(CCNC1)c1ccc2[nH]ccc2c1)c1ccccc1
COc1cccc(CC2(CCNC2)c2ccc3[nH]ccc3c2)c1
Fc1ccc(CC2(CCNC2)c2ccc3[nH]ccc3c2)cc1
C(c1ccccn1)C1(CCNC1)c1ccc2[nH]ccc2c1
C(c1ccccc1)C1(CCNC1)c1c[nH]c2ccccc12
C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1
C(c1ccccc1)C1(CCNC1)c1cnc2[nH]ccc2c1
C(c1ccccc1)C1(CCNC1)c1ccc2sccc2c1
C(c1ccccc1)C1(CCNC1)c1ccc2[nH]ncc2c1
C(c1ccccc1)C1(CCNC1)c1ccc2[nH]ccc2c1
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C |r,TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(OC)cc1)N2C |r,TLB:11:10:19:6.7,THB:2:4:19:6.7|
CCOc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OC)N2C |r,TLB:6:9:20:13.12,THB:16:15:20:13.12|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(OC)c(F)c1)N2C |r,TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(OC)c(Br)c1)N2C |r,TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1cc(Br)c(OC)c(Br)c1)N2C |r,TLB:11:10:21:6.7,THB:2:4:21:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(OC)c(I)c1)N2C |r,TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1cc(I)c(OC)c(I)c1)N2C |r,TLB:11:10:21:6.7,THB:2:4:21:6.7|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OC(C)C)N2C |r,TLB:5:8:21:12.11,THB:15:14:21:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OC1CC1)N2C |r,TLB:5:8:21:12.11,THB:15:14:21:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OC1CCC1)N2C |r,TLB:5:8:22:12.11,THB:15:14:22:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1ccc(cc1)[N+]([O-])=O)N2C |r,TLB:5:8:29:12.11,THB:15:14:29:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1ccc(N)cc1)N2C |r,TLB:5:8:27:12.11,THB:15:14:27:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1ccc(NC(C)=O)cc1)N2C |r,TLB:5:8:30:12.11,THB:15:14:30:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1ccc(N)c(Br)c1)N2C |r,TLB:5:8:28:12.11,THB:15:14:28:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1cc(Br)c(N)c(Br)c1)N2C |r,TLB:5:8:29:12.11,THB:15:14:29:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1ccc(N)c(I)c1)N2C |r,TLB:5:8:28:12.11,THB:15:14:28:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCc1cc(I)c(N)c(I)c1)N2C |r,TLB:5:8:29:12.11,THB:15:14:29:12.11|
COc1ccc(cc1)[C@H]1C[C@H]2CC[C@H]([C@H]1c1cc(no1)-c1ccc(C)cc1)N2C |r,TLB:5:8:27:12.11,THB:15:14:27:12.11|
FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/I)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8|
FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8|
FCCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/I)c1)N2 |TLB:14:13:23:10.9,THB:5:7:23:10.9|
FCCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:14:13:23:10.9,THB:5:7:23:10.9|
FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C\I)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8|
FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8|
C(O[C@H]1CCNC1)c1ccc2ccccc2c1 |r|
C(O[C@@H]1CCNC1)c1ccc2ccccc2c1 |r|
N#Cc1ccc2cc(CO[C@H]3CCNC3)ccc2c1 |r|
Fc1ccc2cc(CO[C@@H]3CCNC3)ccc2c1 |r|
CCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
CCCCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
CCN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
CCCCN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
CN(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
CC(C)CN(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
CN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
CCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1
C(Oc1ccc2ccccc2c1)C1CCNC1
C(Oc1ccc2ccccc2c1)C1CCNCC1
N#Cc1ccc2cc(OCC3CCNCC3)ccc2c1
N#Cc1ccc2ccc(OCC3CCNCC3)cc2c1
Fc1ccc2cc(CCN3CCNCC3)ccc2c1
Cc1c(CCN2CCNCC2)ccc2cc(F)ccc12
C(OC1CCNCC1)c1ccc2ccccc2c1
Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
C[C@H]1CNCCc2c1cc(cc2)Cl
NCC1CC1c1ccccc1Br
NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
NC[C@H]1C[C@@H]1c1ccccc1Br |r|
NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
C=CCN(CCc1c[nH]c2ccccc12)CC=C
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
COc1ccc(CC(C)(C)NCC(O)COc2ccccc2C#N)cc1
COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2C#N)cc1
COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4cccc(=O)n34)cc2)N1)[C@H](O)c1ccccc1 |r|
CNC[C@@]1(CC[C@@](C)(O)CC1)c1ccc2ccccc2c1 |r,wU:6.7,wD:3.2,(-7.77,.92,;-6.7,1.54,;-5.36,.77,;-4.02,1.54,;-5.36,2.27,;-5.36,3.81,;-4.03,4.58,;-5.11,5.17,;-2.95,5.18,;-2.69,3.81,;-2.69,2.27,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,)|
CC(C)C(C)[C@]1(CC[C@@](C)(O)CC1)c1ccc2ccccc2c1 |r,wU:5.13,wD:8.9,(-7.77,.92,;-6.7,1.54,;-6.7,2.77,;-5.36,.77,;-5.36,-.47,;-4.02,1.54,;-2.69,2.27,;-2.69,3.81,;-4.03,4.58,;-5.11,5.17,;-2.95,5.18,;-5.36,3.81,;-5.36,2.27,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,)|
CN1C2CCC1CC(C2)c1ccc(C)c(Br)c1
CN1C2CCC1CC(C2)c1ccc2ccccc2c1
COc1cc2ccc(OC3CC4CCC(C3)N4C)cc2oc1=O
CN1C2CCC1CC(C2)Oc1ccc2cc(-c3ccoc3)c(=O)oc2c1
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCCCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7|
OC[C@H](O)CN1[C@@H](CCc2ccc(OCCF)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1
COc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1 |r|
OC[C@H](O)CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1
CN1[C@@H](CCc2ccc(OCCF)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1
CC(=O)Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC(C)=O)cc3)N2)cc1
CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(O)cc1
CN1[C@@H](CCc2ccc(OC(C)=O)cc2)CCC[C@H]1CCc1ccc(OC(C)=O)cc1
CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1
OC[C@H](O)CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(O)cc1
Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(O)cc3)N2)cc1
FCCOc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OCCF)cc3)N2)cc1
Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OCCF)cc3)N2)cc1
COC(=O)C1=C(CC2CCC1S2)c1ccc2ccccc2c1 |t:4,THB:12:5:11:9.8,2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C2)C[C@@H]1c1ccc(Cl)c(Cl)c1 |TLB:12:11:9:6.7,THB:2:4:9:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc3ccccc3c1)S2 |TLB:11:10:21:6.7,THB:2:4:21:6.7|
COC(=O)[C@@H]1[C@H]2[C@H](O)CC(C[C@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:12:11:20:6.8,THB:7:6:20:4.11.10,2:4:20:6.8|
COC(=O)C1=C(CC2CCC1S2)c1ccccc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)c(F)c1)S2=O |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@H]2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@@H]2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2=O |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1=C(CC2CC[C@@H]1S2)c1ccc(Cl)c(Cl)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CC[C@H]1N2C)c1ccc(Cl)c(Cl)c1 |t:4,TLB:13:5:11:9.8,THB:2:4:11:9.8|
COC(=O)C1=C(CC2CC[C@H]1S2)c1ccc(Cl)c(Cl)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)C1=C(CC2CCC1S2)c1ccc(Cl)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@@H]2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccccc1)S2 |TLB:11:10:17:6.7,THB:2:4:17:6.7|
COC(=O)[C@@H]1[C@H]2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccccc1)S2=O |TLB:11:10:17:6.7,THB:2:4:17:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1[C@@H]2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(I)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Br)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1=C(CC2CCC1S2=O)c1ccccc1 |t:4,TLB:13:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C2)C[C@H]1c1ccc(Cl)c(Cl)c1 |TLB:12:11:9:6.7,THB:2:4:9:6.7|
COC(=O)[C@@H]1[C@@H]2[C@H](O)CC(C[C@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:12:11:20:6.8,THB:7:6:20:4.11.10,2:4:20:6.8|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)c(Cl)c1)S2=O |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CCC1S2)c1ccc(Br)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1=C(CC2CCC1S2)c1ccc(I)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)[C@@H]1[C@H]2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@H]2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2C[C@@H](O)[C@H]1N2C)c1ccc(Cl)c(Cl)c1 |t:4,TLB:14:5:12:9.8,THB:10:9:12:4.5.6,2:4:12:9.8|
COC(=O)C1=C(CC2C[C@@H](O)[C@@H]1N2C)c1ccc(Cl)c(Cl)c1 |t:4,TLB:14:5:12:9.8,THB:10:9:12:4.5.6,2:4:12:9.8|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(F)c1)S2=O |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1=C(CC2CC[C@H]1O2)c1ccc(Cl)c(Cl)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)C1=C(CC2CCC1S2)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:5:11:9.8,2:4:11:9.8|
COC(=O)C1=C(CC2CCC1C2)c1ccc(Cl)c(Cl)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1[C@@H]2[C@H](O)CC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:12:11:20:6.8,THB:7:6:20:4.11.10,2:4:20:6.8|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)c(F)c1)S2=O |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@H]2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CC[C@@H]1N2C)c1ccc(Cl)c(Cl)c1 |t:4,TLB:13:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CC[C@@H]1O2)c1ccc(Cl)c(Cl)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1[C@@H]2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Br)cc1)S2=O |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)c(F)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CCC1S2)c1ccc(F)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1=C(CC2CCC1S2)c1ccc(F)c(Cl)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc3ccccc3c1)S2 |TLB:11:10:21:6.7,THB:2:4:21:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)c(F)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)S2=O |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)C1=C(CC2CCC1S2)c1ccc(F)c(F)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)S2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1=C(CC2CCC1S2)c1ccc(Cl)c(F)c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)[C@@H]1[C@H]2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)O2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1[C@H]2[C@H](O)CC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:12:11:20:6.8,THB:7:6:20:4.11.10,2:4:20:6.8|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(F)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)c(F)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccccc1)S2 |TLB:11:10:17:6.7,THB:2:4:17:6.7|
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CN1CCCC1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CN1CCCCC1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CN1CCCNC1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1ccccc1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1ncccc1=O
OC(=O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cccc(-c2nnn[nH]2)c1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cccc(-c2noc(=O)[nH]2)c1=O
Cc1nnc([nH]1)-c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O
COC(=O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1ccc(cc1=O)-c1noc(=O)[nH]1
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cc(ccc1=O)-c1noc(=O)[nH]1
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1c(cccc1=O)-c1noc(=O)[nH]1
COC(=O)C1=C(C2CCC1N2)c1ccc(cc1)[N+]([O-])=O |w:9.8,6.6,t:4,TLB:11:5:7.8:10,THB:2:4:7.8:10|
COC(=O)C1=C(C2CCC1C2)c1ccc(C)c(F)c1 |w:9.8,6.6,t:4,TLB:11:5:7.8:10,THB:2:4:7.8:10|
COC(=O)C1=C(C2CCC1N2)c1cccc(c1)[N+]([O-])=O |w:9.8,6.6,t:4,TLB:11:5:7.8:10,THB:2:4:7.8:10|
COC(=O)C1=C(C2CCC1C2)c1cc(C)c(C)cc1C |w:6.6,9.10,t:4,TLB:11:5:7.8:10,THB:2:4:7.8:10|
C1Oc2cc3CCN[C@@H]4Cc5ccccc5-c(c2O1)c34 |r|
COc1c2OCOc2c2-c3ccccc3C[C@H]3NCCc1c23 |r|
COc1c(O)c2-c3ccccc3C[C@H]3NCCc(c1OC)c23 |r|
Oc1ccc-2c(C[C@H]3NCCc4cc5OCOc5c-2c34)c1 |r|
COc1cc-2c(C[C@@H]3NCCc4cc(O)c(OC)c-2c34)cc1O |r|
COc1c(O)c2-c3ccc(O)cc3C(C)(C)c3nccc(c1OC)c23
O=C1c2ccccc2-c2c3OCOc3cc3ccnc1c23
COc1cccc2C[C@H]3N(C)CCc4cc5OCOc5c(c34)-c12 |r|
COc1c(O)c2-c3ccccc3C[C@H]3N(C)CCc(c1OC)c23 |r|
COc1ccc2c(c1)c(C)c1N(C)CCc3cc4OCOc4c2c13
CN1CCc2cc3OCOc3c3c4ccc(O)cc4c(C)c1c23
COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(O)c4-c(c1OC)c23 |r|
COc1cc2ccnc3C(=O)c4ccccc4-c(c1OC)c23
COc1cc2CCNc3c(-c4c5NCCc6cc7OCOc7c(c7ccccc47)c56)c4ccccc4c(c1OC)c23 |(18.99,-21.24,;18.96,-19.71,;17.62,-18.96,;16.3,-19.75,;14.96,-19.01,;13.63,-19.78,;12.3,-19.02,;12.29,-17.49,;13.61,-16.71,;13.61,-15.18,;12.27,-14.43,;12.24,-12.88,;13.59,-12.1,;13.58,-10.55,;12.23,-9.77,;10.89,-10.56,;9.56,-9.8,;8.24,-10.56,;6.77,-10.08,;5.86,-11.33,;6.77,-12.58,;8.23,-12.11,;9.56,-12.9,;9.58,-14.44,;8.25,-15.23,;8.26,-16.77,;9.61,-17.54,;10.94,-16.75,;10.93,-15.21,;10.89,-12.12,;14.92,-14.4,;14.9,-12.87,;16.22,-12.09,;17.56,-12.84,;17.57,-14.38,;16.26,-15.16,;16.25,-16.68,;17.59,-17.42,;18.9,-16.63,;20.25,-17.36,;14.94,-17.47,)|
COc1cc2Oc3c(O)ccc(CCN(C)C)c3C=Cc2cc1OC |c:19|
COc1cc2Oc3c(OC)ccc(CCN(C)C)c3C=Cc2cc1OC |c:20|
COc1cc2C[C@@H]3N(C)CCc4ccc(O)c(Oc2cc1OC)c34 |r|
COc1cc2Oc3c(O)ccc4CCN(C)[C@@H](Cc2cc1O)c34 |r|
COc1ccc2C[C@@H]3N(C)CCc4ccc(OC)c(Oc2c1O)c34 |r|
COc1ccc2C[C@@H]3N(C)CCc4ccc(O)c(Oc2c1O)c34 |r|
COc1cc2C[C@@H]3N(C)CCc4ccc(O)c(Oc2cc1O)c34 |r|
COc1cc2oc3c(OC)ccc4ccnc(c34)c(=O)c2cc1OC
COc1ccc2Cc3nccc4ccc(O)c(Oc2c1OC)c34
COc1cc2c(cc1O)[C@@H](NCC2)Cc3ccc(cc3)O
COc1cc(C[C@@H]2N(C)CCc3ccc(OC)c(O)c23)ccc1O |r|
COc1cc2CCN[C@@H](Cc3ccc(O)cc3)c2cc1OC |r|
COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1Oc1ccc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1 |r|
COc1cc2CCN(C)[C@H]3Cc4ccc(OC)c(c4)-c4cc(C[C@H]5N(C)CCc6cc(OC)c(Oc(c1O)c23)cc56)ccc4O |r|
COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(OC)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34 |r|
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34 |r|
CN1CCc2cc(c(cc2[C@H]1Cc3ccc(cc3)Oc4cc(ccc4OC)C[C@@H]5c6cc(c(cc6CCN5C)OC)OC)OC)OC
COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(O)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34 |r|
COc1cc2CCN(C)[C@@H]3Cc4ccc(OC)c(c4)-c4cc(ccc4OC)C(=O)[C@H]4N(C)CCc5cc(OC)c(OC)c(Oc1cc23)c45 |r|
COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1Oc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc23)cc1 |r|
COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c4Oc5cc6CCN(C)C(=O)c6cc5Oc4c23)cc1-c1cc(C=O)ccc1O |r|
COc1cc2CCN(C)[C@@H](Cc3ccc(OC)c(c3)-c3cc(C=O)ccc3O)c2c(Oc2cc3C(=O)N(C)CCc3cc2OC)c1O |r|
OC(=O)CCCCCCNC1c2ccccc2CCc2ccccc12
C[C@@H](Cc1ccccc1)N
CCCC(N1CCCC1)C(=O)c1ccc(N)c(I)c1
CCCC(N1CCCC1)C(=O)c1ccc(N)cc1
CCCC(N1CCCC1)C(=O)c1ccc(N=[N+]=[N-])c(I)c1
CCCC(N1CCCC1)C(=O)c1ccc(C)cc1
Clc1ccccc1OC(C1CCNCC1)c1cccnc1
CCc1ccccc1OC(C1CCNCC1)c1cccnc1
CCOc1ccccc1OC(C1CCNCC1)c1cccnc1
FC(F)(F)Oc1ccccc1OC(C1CCNCC1)c1cccnc1
C1CC(CCN1)C(Oc1ccccc1-c1ccccc1)c1cccnc1
C1CC(CCN1)C(Oc1ccccc1Oc1ccccc1)c1cccnc1
Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1
CCc1ccc(OC(C2CCNCC2)c2cccnc2)cc1
CSc1ccc(OC(C2CCNCC2)c2cccnc2)cc1
Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1Cl
Cc1ccc(cn1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Fc1cccc(OC(C2CCNCC2)c2cccnc2)c1F
Cc1cccc(OC(C2CCNCC2)c2cccnc2)c1C
Clc1ccc(OC(C2CCNCC2)c2cccnc2)c(Cl)c1
Clc1ccc(Cl)c(OC(C2CCNCC2)c2cccnc2)c1
Clc1cccc(OC(C2CCNCC2)c2ccccn2)c1Cl
Cc1ccnc(c1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Cc1ccc(nc1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Clc1cccc(OC(C2CCNCC2)c2ccncc2)c1Cl
Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Clc1cccc(OC([C@H]2CCCNC2)c2cccnc2)c1Cl |r|
Clc1cccc(OC([C@@H]2CCNC2)c2ccccn2)c1Cl |r|
Clc1cccc(OC([C@H]2CCNC2)c2ccccn2)c1Cl |r|
C1CC(CCN1)C(Oc1cccc2ccccc12)c1ccccc1
Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1Cl
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N
CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N |r|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7|
Cc1ccc(cc1)[C@H]1C[C@@H]2CC[C@H]([C@H]1C(=O)OCCF)N2C\C=C\I |r,THB:21:20:13.7.8:11.10|
CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1
CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1-c1ccccc1 |r|
Cc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CCOc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
Clc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CC(C)N([C@H]1CCNC1)C(=O)c1ccccc1C(F)(F)F |r|
FC(F)(F)c1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1 |r|
FC(F)(F)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1 |r|
FC(F)(F)c1ccccc1C(=O)N([C@H]1CCNC1)c1ccccc1 |r|
FC(F)(F)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1 |r|
CCCN([C@H]1CCNC1)C(=O)c1ccccc1C(C)C |r|
CC(C)c1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1 |r|
CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
CCN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
O=C(N(C1CCC1)[C@H]1CCNC1)c1ccccc1Oc1ccccc1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
O=C(N([C@H]1CCNC1)c1ccccc1)c1ccccc1Oc1ccccc1 |r|
CSc1ccccc1C(=O)N(CC1CCC1)[C@@H]1CCNC1 |r|
FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(CC1CCC1)[C@@H]1CCNC1 |r|
O=C(N(CC1CCC1)[C@@H]1CCNC1)c1ccccc1Oc1ccccc1 |r|
FC(F)(F)c1ccccc1CN([C@H]1CCNC1)C(=O)C1CCC1 |r|
CCc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
O=C(N(CC1CCC1)[C@H]1CCNC1)c1ccccc1C1CCCC1 |r|
O=C(N(CC1CCC1)[C@H]1CCNC1)c1ccccc1Oc1ccccc1 |r|
CSc1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1 |r|
CCCN([C@H]1CCNC1)C(=O)c1ccccc1SC |r|
CSc1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1 |r|
CSc1ccccc1C(=O)N([C@H]1CCNC1)c1ccccc1 |r|
CSc1ccccc1C(=O)N([C@H]1CCNC1)C1CCCCC1 |r|
CNC[C@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r|
CNC[C@@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1 |r|
CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r|
CNC[C@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1 |r|
Cc1c2cc(cnc2[nH]n1)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl
CC(C)C(=O)[C@@]12C(O)=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O |t:7,TLB:24:23:37:6.14.8,9:8:37:29.23.22,THB:30:29:37:6.14.8,7:6:37:29.23.22,15:14:37:29.23.22,31:29:37:6.14.8|
[#6]-[#6]-[#6](-[#6])-[#6](=O)[C@@]12[#6](-[#8])=[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]2=O |r,t:8,THB:39:38:15.9.7:30.24.23|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
Fc1ccc(cc1)C(SCCN1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1
[O-][S+](CCN1CCN(Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
[O-][S+](CC(=O)N1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
[O-][S+](CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(O)CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
[O-][S+](CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
CCCN1CCN(CC1)C(=O)C[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1
CC(O)CN1CCN(CC[S+]([O-])C(c2cccc(Cl)c2)c2cccc(Cl)c2)CC1
CC(O)CN1CCN(CCSC(c2cccc(Cl)c2)c2cccc(Cl)c2)CC1
[O-][S+](CCN1CCN(CCCc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(O)CN1CCN(CC[S+]([O-])C(c2ccccc2)c2ccccc2)CC1
[O-][S+](CCN1CCN(Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](CCN1CCN(Cc2ccc(Cl)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
OC(CN1CCN(CC[S+]([O-])C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
CCCN1CCN(CC1)C(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
CC(O)CN1CCN(CC1)C(=O)C[S+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](CC(=O)N1CCN(Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(O)CN1CCN(CC1)C(=O)C[S+]([O-])C(c1cccc(Cl)c1)c1cccc(Cl)c1
NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r|
Fc1ccc(cc1)C(SCCN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
CC(O)CN1CCN(CC1)C(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1
CC(O)CN1CCN(CC1)C(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](CC(=O)N1CCN(CCCc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
NC(=O)C[S@](=O)C(c1ccccc1)c1ccccc1 |r|
[O-][S+](CCN1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCC(=O)N1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(SCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Fc1ccc(CN2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(CN2CCN(CC2)C(=O)CSC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
[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(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
Fc1cccc(OCc2ccccc2N2CCNCC2)c1F
Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1
Fc1cccc(Oc2ccccc2C2CCNCC2)c1
Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1
C(Oc1ccccc1)c1ccccc1N1CCNCC1
Fc1cccc(C2CCNCC2)c1Oc1ccccc1
C(Oc1ccccc1C1CCNCC1)c1ccccc1
Fc1cccc(OCc2ccccc2)c1C1CCNCC1
Cc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1
Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1
Fc1ccc(Oc2cccc(F)c2C2CCNCC2)cc1
Fc1ccc(Oc2ccccc2C2CCNCC2)cc1
Fc1cccc(Oc2ccccc2)c1C1CCNCC1
Clc1ccc(cc1Cl)N1CCSC(Cc2ccccc2N2CCNCC2)C1=O
C1CC(CCN1)c1ccccc1Oc1ccccc1
Clc1cccc(Oc2ccccc2C2CCNCC2)c1
C(Oc1ccccc1)c1ccccc1C1CCNCC1
Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(c1)C1CCNCC1
Fc1cccc(OCc2ccccc2C2CCNCC2)c1
Fc1ccc(N2CCS\C(=C/c3ccccc3N3CCNCC3)C2=O)c(F)c1
Cc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1
Cc1ccc(C2CCNCC2)c(Oc2ccc(F)cc2)c1
Fc1ccccc1COc1ccccc1C1CCNCC1
Fc1ccc(Oc2ccccc2N2CCNCC2)cc1
C1CN(CCN1)c1ccccc1Oc1ccccc1
C(Oc1ccccc1N1CCNCC1)c1ccccc1
Fc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1
Fc1cccc(C2CCNCC2)c1OCc1ccccc1
Fc1ccc(COc2ccccc2C2CCNCC2)cc1
Fc1ccccc1COc1ccccc1N1CCNCC1
Fc1cccc(OCc2ccccc2N2CCNCC2)c1
C(Oc1ccccc1C1CC1)c1ccccc1N1CCNCC1
Fc1cccc(Oc2ccccc2N2CCNCC2)c1
Ic1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r|
Ic1cccc(O[C@H]([C@H]2CNCCO2)c2ccccc2)c1 |r|
Ic1ccc(O[C@H]([C@H]2CNCCO2)c2ccccc2)cc1 |r|
CCCN(C1CCNCC1)C(=O)c1ccc2ccccc2c1
O=C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1
CC(C)N([C@@H]1CCNC1)C(=O)c1ccc2ccccc2c1 |r|
O=C(N(C1CCC1)[C@@H]1CCNC1)c1ccc2ccccc2c1 |r|
O=C(N(C1CCCC1)[C@@H]1CCNC1)c1ccc2ccccc2c1 |r|
CC(C)CN([C@@H]1CCNC1)C(=O)c1ccc2ccccc2c1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccc2ccccc2c1 |r|
CCN([C@@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1C |r|
CC(C)N([C@@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1C |r|
Cc1c(Cl)c(Cl)ccc1C(=O)N(CC(C)(C)C)[C@H]1CCNC1 |r|
CS(=O)(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
Cc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12 |r|
CS(=O)(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1
CS(=O)(=O)N(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
CC(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1
CCC(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1
C(N(C1CCNCC1)c1ncccn1)c1ccc2ccccc2c1
CC(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
CCC(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:40:39:47:35.36,16:6:1:3.4,THB:9:7:1:3.4,31:33:47:35.36|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCn1ccnn1 |r,TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:16:6:1:3.4,35:34:42:30.31,THB:9:7:1:3.4,26:28:42:30.31|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:35:34:42:30.31,16:6:1:3.4,THB:9:7:1:3.4,26:28:42:30.31|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:36:35:43:31.32,16:6:1:3.4,THB:9:7:1:3.4,27:29:43:31.32|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:16:6:1:3.4,34:33:41:29.30,THB:9:7:1:3.4,25:27:41:29.30|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:39:38:50:34.35,20:6:1:3.4,THB:9:7:1:3.4,30:32:50:34.35|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:40:39:51:35.36,20:6:1:3.4,THB:9:7:1:3.4,31:33:51:35.36|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCC1CCN(CC1)C(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:36:35:43:32.31,16:6:1:4.3,THB:9:7:1:4.3,27:29:43:32.31|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)Nc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:37:36:48:32.33,20:6:1:3.4,THB:9:7:1:3.4,28:30:48:32.33|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCc1cccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)c1 |r,TLB:20:6:1:3.4,40:39:51:35.36,THB:9:7:1:3.4,31:33:51:35.36|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCCCCCCCCCNC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:43:42:54:38.39,20:6:1:3.4,THB:9:7:1:3.4,34:36:54:38.39|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCCCCCNC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:39:38:50:34.35,20:6:1:3.4,THB:9:7:1:3.4,30:32:50:34.35|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:16:6:1:3.4,33:32:40:28.29,THB:9:7:1:3.4,24:26:40:28.29|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCCCCCCCNC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:41:40:52:36.37,20:6:1:3.4,THB:32:34:52:36.37,9:7:1:3.4|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:39:38:50:34.35,20:6:1:3.4,THB:9:7:1:3.4,30:32:50:34.35|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:38:37:49:33.34,20:6:1:3.4,THB:9:7:1:3.4,29:31:49:33.34|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,wU:28.31,34.39,22.28,7.10,6.18,wD:19.21,TLB:16:6:1:3.4,35:34:42:30.31,THB:9:7:1:3.4,26:28:42:30.31,(9.06,-3.73,;8.3,-5.07,;7.25,-5.92,;7.89,-7.24,;9.07,-7.94,;8.06,-6.61,;6.23,-6.64,;5.27,-7.48,;5.5,-5.93,;4.48,-8.81,;5.25,-10.14,;4.47,-11.46,;2.93,-11.45,;2.15,-12.78,;2.18,-10.11,;2.96,-8.78,;5.61,-4.72,;6.4,-3.4,;4.08,-4.7,;2.74,-5.47,;1.4,-4.69,;.05,-5.46,;.06,-7.01,;1.4,-7.78,;2.73,-7.01,;-1.28,-7.79,;-2.61,-7.01,;-2.61,-5.47,;-3.94,-7.79,;-5.66,-7.47,;-6.52,-8.66,;-7.81,-9.14,;-6.58,-8.01,;-4.78,-8.36,;-3.98,-9.35,;-3.27,-10.72,;-4.11,-12.01,;-3.41,-13.37,;-1.87,-13.45,;-1.16,-14.81,;-1.04,-12.15,;-1.75,-10.78,;-6.54,-6.45,;-7.05,-5,)|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,wU:7.10,32.36,38.44,26.33,6.23,wD:23.26,TLB:39:38:50:34.35,20:6:1:3.4,THB:30:32:50:34.35,9:7:1:3.4,(38.53,5.43,;37.77,4.09,;36.72,3.24,;37.35,1.91,;38.54,1.21,;37.53,2.54,;35.69,2.51,;34.73,1.68,;34.97,3.22,;33.95,.35,;34.72,-.99,;33.94,-2.31,;32.4,-2.3,;31.64,-.96,;32.42,.37,;31.51,-3.55,;29.97,-3.57,;29.5,-5.03,;30.76,-5.93,;31.99,-5.01,;35.08,4.43,;35.87,5.76,;33.54,4.45,;32.2,3.69,;30.86,4.46,;29.51,3.69,;29.52,2.14,;30.86,1.37,;32.2,2.14,;28.18,1.37,;26.85,2.14,;26.85,3.68,;25.52,1.36,;23.8,1.68,;22.93,.49,;21.64,.01,;22.88,1.14,;24.68,.79,;25.48,-.2,;26.19,-1.57,;25.34,-2.86,;26.05,-4.23,;27.59,-4.3,;28.42,-3,;27.71,-1.63,;28.3,-5.66,;27.41,-6.92,;28.33,-8.16,;29.79,-7.66,;29.77,-6.12,;22.91,2.71,;22.4,4.16,)|
CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:39:38:46:34.35,16:6:1:3.4,THB:9:7:1:3.4,30:32:46:34.35|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:11:10:22:6.7,THB:2:4:22:6.7|
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
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|
CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1ccccc1 |r|
CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1cccc(F)c1 |r|
CC(NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1
CC(NC1CCCC1)C(=O)c1cccc(Cl)c1
CC(NC1CCCC1)C(=O)c1cccc(c1)[N+]([O-])=O
CC(NC(C)(C)C)C(=O)c1cccs1
CC(CNC(C)(C)C)C(=O)c1cccc(Cl)c1
CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1
CC(NC1CCCC1)C(=O)c1cccc(F)c1
CC(N1CCCCC1)C(=O)c1cccc(Br)c1
CC(NC1CCCC1)C(=O)c1cccc(C)c1
CC(NC1CCCC1)C(=O)c1cccc(Br)c1
CC(N1CCCCC1)C(=O)c1cccc(Cl)c1
CC(NC(C)(C)C)C(=O)c1ccc(Cl)cc1
CC(NC(C)(C)C)C(=O)c1cccc(C)c1
CC(N(C)C)C(=O)c1cccc(Cl)c1
CC(NC(C)(C)C)C(=O)c1ccc(C)cc1
COc1cccc(c1)C(=O)C(C)NC1CCCC1
CC(NC(C)(C)C)C(=O)c1cccc(F)c1
CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1
COc1cccc(c1)C(=O)C(C)NC(C)(C)C
CC(N(C)C(C)(C)C)C(=O)c1cccc(Cl)c1
CC(NC(C)(C)C)C(=O)c1ccc(F)c(F)c1
CC(N1CCCCC1)C(=O)c1cccc(c1)[N+]([O-])=O
CC(NC(C)(C)C)C(=O)c1cccc(c1)[N+]([O-])=O
CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
CC(N1CCCCC1)C(=O)c1cccc(F)c1
CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CC(NC(C)(C)C)C(=O)c1ccc(C)c(Cl)c1
CC(N1CCCCC1)C(=O)c1cccc(C)c1
COc1cccc(c1)C(=O)C(C)N1CCCCC1
CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
CC(NC(C)(C)C)C(=O)c1cccc(Br)c1
CN(C)Cc1ccc(F)cc1Sc1ccc(C)cc1N
CN(C)Cc1ccc(F)cc1Oc1ccc(C)cc1N
CN(C)Cc1ccc(OCCF)cc1Oc1ccc(C)cc1N
CN(C)Cc1cc(OCCF)ccc1Oc1ccc(C)cc1N
CN(C)Cc1ccc(OCCCF)cc1Oc1ccc(C)cc1N
CN(C)Cc1cc(OCCCF)ccc1Oc1ccc(C)cc1N
CN(C)Cc1cc(OCCCCF)ccc1Oc1ccc(C)cc1N
COc1ccc2cc(ccc2c1Cl)[C@@H](O)[C@H](C)N1CCN(Cc2ccccc2)CC1 |r|
COc1ccc2cc(ccc2c1Cl)[C@H](O)[C@H](C)N1CCN(Cc2ccccc2)CC1 |r|
COc1ccc2cc(ccc2c1Cl)[C@H](O)[C@@H](C)N1CCN(Cc2ccccc2)CC1 |r|
COc1ccc2cc(ccc2c1Cl)[C@@H](O)[C@@H](C)N1CCN(Cc2ccccc2)CC1 |r|
Fc1ccccc1Oc1cccc(F)c1C1CCNCC1
C1CC(CCN1)c1cccnc1Oc1ccccc1
Fc1ccccc1Oc1ncccc1C1CCNCC1
Clc1ccccc1Oc1ncccc1C1CCNCC1
COc1ccccc1Oc1ncccc1C1CCNCC1
Cc1ccccc1Oc1ncccc1C1CCNCC1
FC(F)(F)c1ccccc1Oc1ncccc1C1CCNCC1
Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl
Fc1cccc(Oc2ncccc2C2CCNCC2)c1F
Cc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
Clc1ccc(Oc2ncccc2C2CCNCC2)c(Cl)c1
Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
Fc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1
COc1cccc(F)c1Oc1ncccc1C1CCNCC1
Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1
Fc1cccc(F)c1Oc1ncccc1C1CCNCC1
Cc1cccc(F)c1Oc1ncccc1C1CCNCC1
Clc1ccccc1Oc1ncccc1N1CCNCC1
Fc1cccc(Cl)c1Oc1ncccc1N1CCNCC1
CN1CCc2ccccc2C1CCc1c[nH]c2ccc(cc12)C#N
CCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
CCCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Clc1cccc(C(=O)N(CCC2CC2)[C@H]2CCNC2)c1Cl |r|
CC(C)(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r|
CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl |r,c:19,t:15|
Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)cc(Cl)c1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1C |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1F |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(F)cc1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1C(C)C |r|
CC(C)CN([C@@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
CSc1ccc(CC(C)N)cc1
CC(N)Cc1ccc(Cl)cc1
CN1C2CCC1[C@@H](C(O)C(F)(F)F)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:0:1:6.13.14:4.3,15:13:1:4.3|
O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
COc1ccccc1-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1F |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1Cl |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|
COc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN1CCN(C[C@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 |r|
CN1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 |r|
CN1CCN(C[C@@H](c2cccc(Cl)c2)C2(N)CCCCC2)CC1 |r|
Fc1ccc(cc1)[C@@H]1CC2CCC(N2)C1c1ccc(F)cc1 |TLB:4:7:13:11.10,THB:15:14:13:11.10|
Fc1ccc(cc1)[C@@H]1CC2CCC(C1c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:4:7:21:11.10,THB:14:13:21:11.10|
COC(=O)C1C2CCC(C2)CC1c1ccc(Cl)c(Cl)c1 |TLB:12:11:9:6.7,THB:2:4:9:6.7|
CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)c(F)c2)S1(=O)=O |r|
CNCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)cc2)S1(=O)=O |r|
CNC[C@H](O)CCN1c2ccccc2N(c2cccc(OC)c2)S1(=O)=O |r|
CNC[C@@H](O)CCN1c2ccccc2N(c2ccc(F)cc2)S1(=O)=O |r|
CNC[C@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O |r|
CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2C)S1(=O)=O |r|
CNC[C@@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O |r|
CNC[C@H](O)CCN1c2ccccc2N(c2ccc(F)cc2F)S1(=O)=O |r|
CNC[C@@H](O)CCN1c2ccccc2N(c2ccc(F)cc2F)S1(=O)=O |r|
CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O |r|
CNC[C@@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O |r|
CNCC(=O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2C)S1(=O)=O |r|
CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
CNC[C@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O |r|
CNC[C@@H](O)CCN1c2ccccc2N(c2cccc(OC)c2)S1(=O)=O |r|
CN1CCC(C(C1)C(=O)OCCCCCc1ccccc1)c1ccc(Cl)cc1
CO\N=C1\CN2CC1[C@H](CC2)c1ccc(Cl)cc1 |THB:11:8:6:3.4|
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccc(Br)cc1)c1ccc(Cl)cc1
COc1ccc(cc1)-c1noc(n1)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
COc1ccc(cc1)-c1noc(n1)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Fc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1
Cc1cc(ccc1Cl)-n1c(csc1=N)-c1c(F)cccc1F |(15.02,-4.47,;13.57,-5.03,;13.35,-6.56,;11.91,-7.12,;10.71,-6.17,;10.94,-4.64,;12.36,-4.08,;12.58,-2.54,;11.68,-8.64,;10.26,-9.21,;10.35,-10.73,;11.82,-11.12,;12.66,-9.82,;14.19,-9.74,;8.93,-8.44,;7.6,-9.21,;7.6,-10.74,;6.26,-8.44,;6.26,-6.91,;7.6,-6.14,;8.93,-6.91,;10.26,-6.12,)|
CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCCCCNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:16:6:1:4.3,THB:24:26:40:28.29|
CN(C)CCCC1(OCc2cc(\C=C\c3ccccc3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(c1)C#N)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(Cl)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(\C=C\c3ccc(Cl)cc3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2c1cccc2-c1ccccc1)c1ccc(F)cc1
CN(C)CCCC1(OCc2c1cccc2\C=C\c1ccccc1)c1ccc(F)cc1
CN(C)CCCC1(OCc2c1cccc2-c1cccc(F)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(I)ccc12)c1ccc(F)cc1
CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F
CN(C)CCC[C@@]1(OCc2cc(\C=C\c3ccc(cc3)C#N)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@]1(OCc2cc(Br)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@@]1(OCc2cc(Br)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@]1(OCc2cc(\C=C\c3ccccc3)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@@]1(OCc2cc(\C=C\c3ccccc3)ccc12)c1ccc(F)cc1 |r|
CN(C)CCCC1(OCc2c1cccc2Br)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1ccccc1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(N)c1)c1ccc(F)cc1
c1ccc2c(-c3cccnc3)c3ccccc3cc2c1
c1ccc2c(-c3ccncc3)c3ccccc3cc2c1
Fc1ccc2SCC3CON(C3c2c1)C(=O)NC1CCCCC1
C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
Fc1ccc(CNC2CCC(OC2)C(c2ccccc2)c2ccccc2)cc1
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
CC(=O)OC[C@@H]([C@H]1CCCCN1)c1ccccc1 |r|
NC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1C)c1ccccc1
CCc1ccc(cc1)[C@H]([C@H]1CCCCN1)C(=O)OC |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc2ccccc2c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(cc1)C(F)(F)F |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=C=S)c1ccccc1 |r|
OC[C@@H]([C@H]1CCCCN1CCCc1ccccc1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1CC#C)c1ccccc1 |r|
OC[C@@H]([C@H]1CCCCN1CCCCc1ccccc1)c1ccccc1 |r|
OC[C@@H]([C@H]1CCCCN1CCc1ccccc1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1CCCc1ccccc1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1CCc1ccccc1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1CCCCc1ccccc1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1CCCCCc1ccccc1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1CCCCCCc1ccccc1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1Cl)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1CC=C)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(Cl)cc1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(OC)cc1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(Cl)s1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccn1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccnc1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccncc1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccco1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccsc1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccs1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccoc1)c1ccccc1 |r|
CCN1CCCC[C@@H]1[C@H](CO)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1cc(C)cc(C)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1cc(Cl)cc(Cl)c1 |r|
OC[C@@H]([C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1)c1ccccc1 |r|
OC[C@@H]([C@H]1CCCCN1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1C)c1ccc(OCO)c(CO)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1C)c1ccc(O)cc1
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(cc1)[N+]([O-])=O |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(N)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(N)cc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(OC)cc1
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Cl)cc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(cc1)C(C)(C)C |r|
COC(=O)[C@H](c1cccc(Cl)c1)[C@@]1(C)CCCCN1C |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(I)cc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(Br)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1C)c1ccc(C)cc1
COC(=O)[C@H](c1ccccc1Br)[C@@]1(C)CCCCN1 |r|
COC(=O)[C@H](c1ccccc1OC)[C@@]1(C)CCCCN1 |r|
COC(=O)[C@H](c1cccc(OC)c1)[C@@]1(C)CCCCN1 |r|
COC(=O)[C@H](c1ccccc1O)[C@@]1(C)CCCCN1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(O)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(Cl)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(F)cc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(OC)c(OC)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Br)cc1
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1Cl |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1F |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(F)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(C)cc1 |r|
OC[C@@H]([C@H]1CCCCN1)c1cccc(F)c1 |r|
OC[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 |r|
COC[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1)c1cccc(Cl)c1 |r|
CN(C)C(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1)c1ccccc1 |r|
NC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1)c1ccccc1 |r|
OC[C@@H]([C@H]1CCCCN1Cc1ccccc1)c1ccccc1 |r|
COC[C@@H]([C@H]1CCCCN1Cc1ccccc1)c1ccccc1 |r|
COC[C@@H]([C@H]1CCCCN1)c1ccccc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
OC[C@@H]([C@H]1CCCCN1Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
COC[C@@H]([C@H]1CCCCN1Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
NC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1C)c1cccc(C)c1
O=C(OCc1ccccc1)[C@@H]([C@H]1CCCCN1)c1ccccc1 |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
OCCN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
OCCCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
CN[C@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12
CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12
CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12
CSc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
CNC1CC(c2ccccc12)c1ccc(F)cc1
CNC1CC(c2ccccc12)c1ccc(F)c(F)c1
CN(C)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1CC(N2CCCCC2)c2ccccc12
CN(C)C1CC(c2ccccc12)c1ccc(Br)cc1
CN(C)C1CC(c2ccccc12)c1ccc(F)cc1
CNC1CC(c2ccccc12)c1ccc(Cl)cc1
CNC1CC(c2ccc(F)cc12)c1ccc(Cl)c(Cl)c1
CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r|
CC(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCC(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCC(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CC(C)C(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCC(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CC(C)CCC(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCCCCC(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
Oc1cc(OC(=O)c2ccccc2)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Cc1ccc(cc1)C(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
COc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CC(C)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CC(C)COc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CC(C)CCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCCCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCCCCCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
Oc1cc(OCCCCc2ccccc2)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
CCC(=O)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
CCCC(=O)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
CC(C)C(=O)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
CCOc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
CN1CCC(CC1)(C(=O)OCc1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
CCOC(=O)C1(CCNCC1)c1ccc(Cl)c(Cl)c1
CCOC(=O)C1(CCNCC1)c1ccc(cc1)-c1ccccc1
CCOC(=O)C1(CCNCC1)c1ccc(I)cc1
CCOC(=O)C1(CCNCC1)c1ccc2ccccc2c1
CN1CCC(CC1)(C(=O)OCc1ccccc1)c1ccc(Cl)c(Cl)c1
COc1ccc(COC(=O)C2(CCN(C)CC2)c2ccc(Cl)c(Cl)c2)cc1
CN1CCC(CC1)(C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C(=O)OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C(=O)OCc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C(=O)OCc1ccc(I)cc1)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C(=O)OCc1ccc(cc1)-c1ccccc1)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C(=O)OCc1ccccc1)c1ccc(cc1)-c1ccccc1
Clc1ccc(cc1Cl)C1(CCNCC1)C(=O)OCc1ccccc1
COc1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1
[O-][N+](=O)c1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1
Clc1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1Cl
FC(F)(F)c1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1
O=C(OCc1ccccc1)C1(CCNCC1)c1ccc(cc1)-c1ccccc1
COc1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1
[O-][N+](=O)c1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1
Clc1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1Cl
COc1ccc(COC(=O)C2(CCNCC2)c2ccc3ccccc3c2)cc1
[O-][N+](=O)c1ccc(COC(=O)C2(CCNCC2)c2ccc3ccccc3c2)cc1
Clc1ccc(COC(=O)C2(CCNCC2)c2ccc3ccccc3c2)cc1Cl
C1NCC1Oc1ccccc1Oc1ccccc1
Fc1ccccc1Oc1ccccc1OC1CNC1
Fc1ccccc1Oc1cccc(F)c1OC1CNC1
Fc1cccc(Oc2ccccc2Cl)c1OC1CNC1
Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CNC1
Cc1cccc(F)c1Oc1cccc(F)c1OC1CNC1
Fc1cccc(F)c1Oc1cccc(F)c1OC1CNC1
Fc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1
Cc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1
Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1
Fc1ccccc1Oc1ccccc1OC1CCNCC1
Fc1ccccc1Oc1cccc(F)c1OC1CCNCC1
Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNCC1
Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNCC1
Fc1ccccc1Oc1cccc(F)c1OC1CCCNC1
Fc1ccccc1Oc1ccccc1OC1CCNC1
Fc1ccccc1Oc1cccc(F)c1OC1CCNC1
Fc1cccc(Oc2ccccc2Cl)c1OC1CCNC1
Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNC1
Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNC1
Fc1cccc(Oc2c(F)cccc2Cl)c1O[C@H]1CCNC1 |r|
Fc1cccc(Oc2c(F)cccc2Cl)c1O[C@@H]1CCNC1 |r|
Fc1cccc(Cl)c1Oc1ncccc1OC1CCNC1
Fc1cccc(Cl)c1Oc1ncccc1OC1CNC1
C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1cccc(n1)-c1ccccc1 |r|
C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1ccccc1 |r|
CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1ccccc1 |r,TLB:0:1:6.7.8:4.3|
Clc1ccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r|
Clc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
Clc1ccccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2 |r|
Brc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
Ic1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
Fc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
Cc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
[O-][N+](=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
FC(F)(F)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
COc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
N#Cc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
FC(F)(F)c1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
Brc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
Clc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
Fc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1 |r|
N#Cc1ccc(cc1)-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
N#Cc1cccc(c1)-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1 |r|
N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)n1 |r|
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1C#N |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1cccc(I)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(c1)N=[N+]=[N-])c1cccc(I)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=[N+]=[N-])c1cccc(I)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1ccc(I)cc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(c1)N=[N+]=[N-])c1ccc(I)cc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=[N+]=[N-])c1ccc(I)cc1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(I)c1 |r|
Cc1cc(on1)C1=C(CC2CCC1S2)c1ccccc1 |t:7,TLB:14:7:13:10.11,THB:3:6:13:10.11|
Clc1ccc(cc1Cl)C1=C(C2CCC(C1)S2)c1cc(no1)-c1ccccc1 |t:9,TLB:4:8:15:12.11,THB:16:9:15:12.11|
Cc1cc(on1)[C@@H]1C2CCC(C[C@H]1c1ccccc1)S2 |r,TLB:13:12:19:9.8,THB:3:6:19:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@H]1c1ccc(F)cc1)S2 |r,TLB:13:12:20:9.8,THB:3:6:20:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)cc1)S2 |r,TLB:13:12:20:9.8,THB:3:6:20:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@H]1c1ccc(Br)cc1)S2 |r,TLB:13:12:20:9.8,THB:3:6:20:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)c(Cl)c1)S2 |r,TLB:13:12:21:9.8,THB:3:6:21:9.8|
C1CC2SC1C[C@H](C2c1cc(no1)-c1ccccc1)c1ccccc1 |r,TLB:19:6:3:0.1,THB:8:7:3:0.1|
Fc1ccc(cc1)[C@@H]1CC2CCC(S2)C1c1cc(no1)-c1ccccc1 |r,TLB:4:7:13:10.11,THB:15:14:13:10.11|
Clc1ccc(cc1)[C@@H]1CC2CCC(S2)C1c1cc(no1)-c1ccccc1 |r,TLB:4:7:13:10.11,THB:15:14:13:10.11|
Brc1ccc(cc1)[C@@H]1CC2CCC(S2)C1c1cc(no1)-c1ccccc1 |r,TLB:4:7:13:10.11,THB:15:14:13:10.11|
Clc1ccc(cc1Cl)[C@@H]1CC2CCC(S2)C1c1cc(no1)-c1ccccc1 |r,TLB:4:8:14:11.12,THB:16:15:14:11.12|
Cc1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccccc1)S2 |r,TLB:13:12:19:9.8,THB:3:6:19:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)S2 |r,TLB:13:12:20:9.8,THB:3:6:20:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)S2 |r,TLB:13:12:20:9.8,THB:3:6:20:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)S2 |r,TLB:13:12:20:9.8,THB:3:6:20:9.8|
Cc1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |r,TLB:13:12:21:9.8,THB:3:6:21:9.8|
C1CC2SC1C[C@@H](C2c1cc(no1)-c1ccccc1)c1ccccc1 |r,TLB:19:6:3:0.1,THB:8:7:3:0.1|
Fc1ccc(cc1)[C@H]1CC2CCC(S2)C1c1cc(no1)-c1ccccc1 |r,TLB:4:7:13:10.11,THB:15:14:13:10.11|
Clc1ccc(cc1Cl)[C@H]1CC2CCC(S2)C1c1cc(no1)-c1ccccc1 |r,TLB:4:8:14:11.12,THB:16:15:14:11.12|
Cc1cc(on1)C1=C(CC2CCC1S2)c1ccc(F)cc1 |t:7,TLB:14:7:13:10.11,THB:3:6:13:10.11|
Cc1cc(on1)C1=C(CC2CCC1S2)c1ccc(Cl)cc1 |t:7,TLB:14:7:13:10.11,THB:3:6:13:10.11|
Cc1cc(on1)C1=C(CC2CCC1S2)c1ccc(Br)cc1 |t:7,TLB:14:7:13:10.11,THB:3:6:13:10.11|
Cc1cc(on1)C1=C(CC2CCC1S2)c1ccc(Cl)c(Cl)c1 |t:7,TLB:14:7:13:10.11,THB:3:6:13:10.11|
C1CC2SC1CC(=C2c1cc(no1)-c1ccccc1)c1ccccc1 |c:7,TLB:19:6:3:0.1,THB:8:7:3:0.1|
Fc1ccc(cc1)C1=C(C2CCC(C1)S2)c1cc(no1)-c1ccccc1 |t:8,TLB:4:7:14:11.10,THB:15:8:14:11.10|
Clc1ccc(cc1)C1=C(C2CCC(C1)S2)c1cc(no1)-c1ccccc1 |t:8,TLB:4:7:14:11.10,THB:15:8:14:11.10|
Brc1ccc(cc1)C1=C(C2CCC(C1)S2)c1cc(no1)-c1ccccc1 |t:8,TLB:4:7:14:11.10,THB:15:8:14:11.10|
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|
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|
NCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3|
CCCCC1=C(C2CCN1CC2)c1ccc(Cl)cc1 |t:4,(.06,-16.55,;-1.41,-17.03,;-2.55,-16,;-4.01,-16.47,;-5.2,-15.49,;-5.2,-13.3,;-7.34,-12.86,;-6.01,-13.62,;-6.01,-15.16,;-7.35,-15.93,;-8.69,-15.16,;-8.66,-13.62,;-3.99,-12.34,;-2.55,-12.89,;-1.36,-11.93,;-1.59,-10.41,;-.39,-9.44,;-3.03,-9.85,;-4.23,-10.82,)|
CN(C)C[C@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)c(Cl)c1 |wD:11.13,4.3,(7.55,1.59,;6.22,.82,;4.89,1.59,;6.22,-.68,;4.89,-1.49,;3.54,-.72,;2.22,-1.49,;2.22,-3.03,;3.54,-3.8,;4.09,-2.55,;2.77,-2.03,;4.89,-3.03,;6.2,-3.8,;6.2,-5.34,;7.55,-6.11,;8.89,-5.34,;10.21,-6.11,;8.87,-3.8,;10.2,-2.99,;7.54,-3.03,)|
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|
COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,TLB:19:18:10.9.4:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
N[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)C[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r|
CN[C@@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r|
CN[C@@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r|
CN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r|
N[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)C[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NC1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12
CN(C)C1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12
CNC1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12
N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN(C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
NC1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1
CN(C)C1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1
CNC1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1
N[C@@H]1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@@H]1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CC(N)C1(CCCCC1)c1ccc(OC(C)(C)C)cc1
NC(=O)c1ccc(cc1)C1CN2CCCC2c2ccccc12
[H][C@]12CCCN1C[C@@]([H])(c1ccccc1)c1ccccc21 |r|
N#Cc1ccc(cc1)C1CN2CCCC2c2ccccc12
CSc1ccc(cc1)C1CN2CCCC2c2c(Br)cccc12
CCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r|
CCCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r|
O[C@@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccc1 |r|
O[C@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccc1 |r|
O[C@@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r|
O[C@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r|
COc1cccc(c1)[C@@H](O)CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r|
COc1cccc(c1)[C@H](O)CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccn1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccnc1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccncc1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccc2ccccc12 |r|
Oc1ccccc1CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r|
Oc1cccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)c1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccs1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccco1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc[nH]1 |r|
COc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 |r|
CN1CC2CC1CC(C2)OC(=O)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC
Nc1nc(Br)ncc1-c1c[nH]c2cccc(O)c12
Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
COc1cccc2[nH]cc(-c3ccnc(N)n3)c12
Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12
O=S1(=O)N(CCC2CNCCO2)c2ccccc2N1c1ccccc1
O=S1(=O)N(CC[C@H]2CNCCO2)c2ccccc2N1c1ccccc1 |r|
O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1 |r|
O=S1(=O)N(C[C@H]2CNCCO2)c2ccccc2N1c1ccccc1 |r|
O=S1(=O)N(C[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1 |r|
CNC[C@H](CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)OC |r|
Fc1ccccc1N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O |r|
Fc1ccc(cc1)N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O |r|
Fc1ccc(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1 |r|
OC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccc(N)cc1)N2C |TLB:22:21:4.10.9:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)[N+]2(C)C
COC(=O)[C@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)N2C |THB:11:10:20:6.7,2:4:20:6.7|
CN1C2CCC1[C@@H](CNc1cccc(F)n1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
CN1C2CCC1[C@@H](CNc1ccnc(Br)c1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
CN1C2CCC1[C@@H](CNc1ccc(Br)nc1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
CN1C2CCC1[C@@H](CNc1cccc(Br)n1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1cccc(F)n1 |r,TLB:0:1:7.6.8:3.4|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1ccnc(Br)c1 |r,TLB:0:1:7.6.8:3.4|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)nc1 |r,TLB:0:1:7.6.8:3.4|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1cccc(Br)n1 |r,TLB:0:1:7.6.8:3.4|
Cc1cnc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)c(C)c1
COc1ccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)nc1
CN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccccc1)c1ccccc1 |r,THB:0:1:8.7.6:4.3|
CN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:0:1:8.7.6:4.3|
C(OC(c1ccccc1)c1ccccc1)\C=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,THB:24:23:17.16.22:20.19|
Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
CCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccccc1)c1ccccc1 |r,THB:1:2:9.8.7:5.4|
CCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:1:2:9.8.7:5.4|
CCCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccccc1)c1ccccc1 |r,THB:2:3:10.9.8:6.5|
CCCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:2:3:10.9.8:6.5|
C=CCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccccc1)c1ccccc1 |r,THB:2:3:10.9.8:6.5|
Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC=C)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
C(OC(c1ccccc1)c1ccccc1)\C=C1\C[C@@H]2CC[C@H](C1)N2CC1CC1 |r,THB:24:23:17.16.22:20.19|
Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC1CC1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
Fc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8|
Fc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r,THB:5:6:13.12.11:9.8|
Clc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8|
Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)cc1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
Cc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8|
Cc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r,THB:5:6:13.12.11:9.8|
C#CCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccccc1)c1ccccc1 |r,THB:2:3:10.9.8:6.5|
CC(NC(C)(C)C)C(=O)c1ccc(N=[N+]=[N-])c(I)c1
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C(/I)C(F)(F)F |r,THB:19:18:4.10.9:7.6|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C(I)=C\C(F)(F)F |r,THB:19:18:4.10.9:7.6|
COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
NC(=O)CS(=O)Cc1ccccc1-c1ccc(Cl)cc1
COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2N=O |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7|
COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2CCO |THB:2:4:20:6.7|
COC(=O)CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OC |TLB:22:10:5:8.7|
O=C(OC1CC2CCC3C1C(=O)NN23)c1ccccc1 |TLB:7:8:12.10:3.5.4,THB:12:13:9.3.4:7.6,10:9:13:7.6,2:3:13:7.6|
COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2NC(C)=O |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7|
COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2CC(O)=O |THB:2:4:20:6.7|
COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2[N+]([O-])=O |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7|
C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCC(Cc2ccccc2)CC1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ncccn1)c1ccc(F)cc1
C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
C(CN1CCN(Cc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccccc2)CC1
C(Cc1ccccc1)N1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
C(CN1CCN(CCc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCc2ccccc2)CC1
C(CN1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
C(CN1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCCc2ccccc2)CC1
C(CN1CCN(C\C=C\c2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(C\C=C\c2ccccc2)CC1
O=C(NCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Clc1ccc(cc1)C(C(=O)NCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
O=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Clc1ccc(cc1)C(C(=O)NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(OCCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccc1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccccc1Cl)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1cccc(Cl)c1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1cccc(Cl)c1Cl)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)cc1Cl)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(C\C=C\c2ccccc2)CC1
I\C=C\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
I\C=C/CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
CN(CCCc1ccccc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1
C(CNCCCc1ccccc1)CNCCOC(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCNCCNCCCc1ccccc1)c1ccc(F)cc1
C(CNCCNCCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
COC(=O)[C@@H]([C@H]1CCCCN1C)c1cccc(Cl)c1
COC(=O)[C@@H](C1CCCCN1)c1ccc(C)cc1
COC(=O)[C@@H](C1CCCCN1)c1cccc(Cl)c1
CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccccc1
Cc1ccccc1O[C@H](CCNC)c2ccccc2
CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccccc1
COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1
CN(C)C[C@H]([C@@H](O)c1c(C)cc(C)cc1C)c1ccccc1
CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccc2ccccc2c1
CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1
COc1ccc(cc1)[C@H](CN)[C@@H](O)C1CCCCC1
NC[C@H]([C@@H](O)c1ccccc1)c1ccccc1
CC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1
Cc1cc(C)c([C@H](O)[C@@H](CN)c2ccccc2)c(C)c1
CC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2 |THB:2:4:19:6.7|
COC(=O)C1=C(CC2CCC1N2C)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:11:4.5.6:9.8,13:5:11:9.8,2:4:11:9.8|
CNC(C)C(=O)c1ccc(cc1)C(F)(F)F
CCC[C@H](N1CCCC1)C(=O)c1ccc2OCOc2c1 |r|
CCC[C@@]1(O)CN2[C@@H]3CCC2C1[C@H](C3)c1ccc(C)cc1 |TLB:14:12:10:3.5,THB:5:6:11.12.13:9.8,8:7:10:3.5|
Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1[C@](O)(CN23)c1ccc(Cl)cc1 |TLB:10:9:12:14.16,THB:16:17:13.7.8:11.10,4:7:12:14.16|
Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1C(=C)CN23 |TLB:10:9:12:14.16,THB:16:17:13.7.8:11.10,4:7:12:14.16|
Fc1ccc(cc1)[C@H]1C[C@H]2CCC3C1C(=O)CN23 |TLB:10:9:12:14.16,THB:16:17:13.7.8:11.10,4:7:12:14.16|
Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1[C@](O)(CN23)c1ccccc1 |TLB:10:9:12:14.16,THB:16:17:13.7.8:11.10,4:7:12:14.16|
CCCC1C2C3CCN2[C@H](C3)C[C@@H]1c1ccc(C)cc1 |TLB:11:9:4:7.6,7:8:3.12.11:5.10|
Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1C(=O)CN23 |TLB:10:9:12:14.16,THB:16:17:13.7.8:11.10,4:7:12:14.16|
Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1[C@](C)(O)CN23 |TLB:10:9:12:14.17,THB:17:18:13.7.8:11.10,4:7:12:14.17|
CN[C@H](C)Cc1ccc(OC)cc1 |r|
CN[C@@H](C)C(=O)c1ccccc1 |r|
CN[C@@H](C)Cc1ccc(OC)cc1 |r|
CNC(C)C(=O)c1ccc(C)cc1
CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccccc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(no1)-c1ccccc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(C)no1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)NC1CCC(NC1)C(c1ccccc1)c1ccccc1
Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OC\C=C/I |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OC\C=C\I |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(F)cc1)C(=O)OC\C=C/I |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
COC(=O)C1C2CCC(CC1OC(=O)c1ccc(F)cc1)N2C |TLB:22:21:4.10.9:6.7,THB:2:4:21:6.7|
CN1C2CCC1C(C(C2)c1ccccc1)C(=O)OC\C=C\I |TLB:15:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1C2CCC1C(C(C2)c1ccc(F)cc1)C(=O)OC\C=C\I |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccccc1)C(=O)OC\C=C/I |TLB:15:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)OC\C=C/I |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)OC\C=C\I |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1
C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
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)N1CCCc1ccccc1
CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:11:6:9:3.2,THB:10:9:3.2:7.5.6,1:2:9:7.5.6|
CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:11:6:9:3.2,1:2:9:7.5.6,THB:10:9:3.2:7.5.6|
CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:11:6:9:3.2,THB:1:2:9:7.5.6,10:9:3.2:7.5.6|
CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2,THB:10:9:3.2:7.5.6|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)O2 |TLB:9:7:25:2.3|
CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2,THB:10:9:3.2:7.5.6|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1)O2 |TLB:9:7:23:2.3|
CN1C[C@H]([C@@H](C1)c1ccccc1F)C(=O)c1ccc(Cl)cc1
Clc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)c1ccccc1)c1ccccc1
O=C([C@@H]1CN(C[C@H]1c1ccccc1)c1ccccc1)c1cccs1
CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccc(c1)C(F)(F)F
CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccc(Cl)cc1
CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl
CN1C[C@H]([C@@H](C1)c1ccc(C)cc1)C(=O)c1ccccc1F
COc1ccc(cc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(Cl)cc1
CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1
O=C([C@@H]1CN(C[C@H]1c1ccccc1)c1ccccc1)c1ccccn1
CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccc1
CN1C[C@H]([C@@H](C1)c1ccc(F)cc1)C(=O)c1ccc(F)cc1
COc1ccccc1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)c1ccccc1
Cc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)c1ccc(F)cc1)c1ccccc1
FC(F)(F)c1cccc(c1)-n1c(csc1=N)-c1ccc(Br)cc1
Fc1ccccc1-n1c(csc1=N)-c1ccc(Cl)cc1 |(15.84,-11.95,;15.44,-10.46,;16.78,-9.69,;16.77,-8.15,;15.44,-7.39,;14.11,-8.15,;14.11,-9.69,;13.02,-10.78,;10.38,-10.78,;10.38,-12.32,;11.69,-13.08,;13.02,-12.32,;14.35,-13.09,;9.04,-10.02,;7.7,-10.78,;6.38,-10.02,;6.38,-8.47,;5.05,-7.71,;7.7,-7.69,;9.04,-8.47,)|
CC1=NC(C(S1)c1ccccc1)c1ccccc1 |t:1|
Cc1c(-c2ccccc2)c(c[nH]c1=O)-c1ccccc1
Clc1ccc(cc1)-c1noc(=O)n1-c1ccccc1
Clc1ccc(cc1)-c1csc(=N)n1-c1ccc(Cl)cc1Cl |(5.05,-7.71,;6.38,-8.47,;6.38,-10.02,;7.7,-10.78,;9.04,-10.02,;9.04,-8.47,;7.7,-7.69,;10.38,-10.78,;10.38,-12.32,;11.69,-13.08,;13.02,-12.32,;14.35,-13.09,;13.02,-10.78,;14.11,-9.69,;14.11,-8.15,;15.44,-7.39,;16.77,-8.15,;18.09,-7.36,;16.78,-9.69,;15.44,-10.46,;15.84,-11.95,)|
Clc1ccc(cc1)-c1csc(=N)n1-c1ccccc1N1CCOCC1 |(5.06,-7.73,;6.39,-8.49,;7.72,-7.71,;9.06,-8.49,;9.06,-10.04,;7.72,-10.81,;6.39,-10.04,;10.41,-10.81,;10.41,-12.35,;11.72,-13.11,;13.05,-12.35,;14.38,-13.12,;13.05,-10.81,;14.15,-9.71,;15.48,-10.48,;16.82,-9.71,;16.81,-8.17,;15.48,-7.4,;14.15,-8.17,;12.82,-7.4,;12.82,-5.86,;11.5,-5.09,;10.16,-5.86,;10.16,-7.4,;11.49,-8.17,)|
c1ccc(cc1)-c1nccnc1-c1ccccc1
FC(F)(F)c1cccc(c1)-n1c(csc1=N)-c1ccc(Cl)cc1
CN(C)CCCSc1nc(nc2ccccc12)-c1ccccc1
CN1C2CCC1CC(C2)Oc1nc(nc2ccccc12)-c1ccccc1 |THB:9:7:1:3.4|
N(C(c1ccccc1)c1ccccc1)c1nc(nc2ccccc12)-c1ccccc1
C(Nc1nc(nc2ccccc12)-c1ccccc1)C(c1ccccc1)c1ccccc1
C[C@H](Nc1nc(nc2ccccc12)-c1ccccc1)c1ccccc1
C(Nc1nc(nc2ccccc12)-c1ccccc1)c1ccccc1
S(C(c1ccccc1)c1ccccc1)c1nc(nc2ccccc12)-c1ccccc1
C[C@@H](Nc1nc(nc2ccccc12)-c1ccccc1)c1ccccc1
CN(C)CCCNc1nc(nc2ccccc12)-c1ccccc1
CN(C)CCCOc1nc(nc2ccccc12)-c1ccccc1
C(CC(c1ccccc1)c1ccccc1)Nc1nc(nc2ccccc12)-c1ccccc1
CN1CCC(CC1)Oc1nc(nc2ccccc12)-c1ccccc1
C(CN1C2CCC1CC(Cc1ccccc1)C2)OC(c1ccccc1)c1ccccc1 |TLB:1:2:8.7.16:4.5,THB:9:8:2:4.5|
COc1ccc(cc1)C(OCCN1C2CCC1CC(Cc1ccccc1)C2)c1ccc(OC)cc1 |TLB:11:12:18.17.26:14.15,THB:19:18:12:14.15|
Clc1ccc(cc1)C(OCCN1C2CCC1CC(Cc1ccccc1)C2)c1ccc(Cl)cc1 |TLB:10:11:17.16.25:13.14,THB:18:17:11:13.14|
Cc1ccc(cc1)C(OCCN1C2CCC1CC(Cc1ccccc1)C2)c1ccc(C)cc1 |TLB:10:11:17.16.25:13.14,THB:18:17:11:13.14|
Fc1ccc(cc1)C(OCCN1CCC(CCCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1C2CCC1CC(Cc1ccccc1)C2)c1ccc(F)cc1 |TLB:10:11:17.16.25:13.14,THB:18:17:11:13.14|
Clc1ccc(cc1)C(OCCN1C2CCC1CC(Cc1ccccc1)C2)c1ccccc1 |TLB:10:11:17.25.16:13.14,THB:18:17:11:13.14|
O=C(OCC1C2CCC3CC1\C(CN23)=C\c1cccs1)c1ccc2ccccc2c1 |TLB:3:4:11.12:8.9,6:5:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CC(C)(C)C(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:7:8:15.16:12.13,10:9:15.16:12.13|
CC(C)OC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:4:6:15:8.9,4:6:13.14:10.11,8:7:13.14:10.11,THB:13:12:15:8.9,14:15:6.12.11:8.9|
CC(=O)NCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:4:5:12.13:9.10,7:6:12.13:9.10|
CC(C)(C)OC(=O)NCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:8:9:16.17:13.14,11:10:16.17:13.14|
O=C(OCC1C2CCC3CC1\C(CN23)=C\c1cccs1)c1ccccc1 |TLB:3:4:11.12:8.9,6:5:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1cccs1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccc(OC)n1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(OC)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccsc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccc(Cl)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1nccs1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cnc(OC)nc1OC |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccccn1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccnc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccccc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)nc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Br)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cnccn1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cc(C)c(Br)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CCc1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)OC)s1 |TLB:7:15:9:12.11,17:14:9:12.11,17:14:7.8:10.16,THB:8:9:14.15.16:12.11,12:13:7.8:10.16|
CCCCc1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)OC)s1 |TLB:9:17:11:14.13,19:16:11:14.13,19:16:9.10:12.18,THB:10:11:16.17.18:14.13,14:15:9.10:12.18|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccc(OC)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CCCc1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)OC)s1 |TLB:8:16:10:13.12,18:15:10:13.12,18:15:8.9:11.17,THB:9:10:15.16.17:13.12,13:14:8.9:11.17|
COC(=O)C1=C(CC2CCC1N2C)c1ccc(O)c(O)c1 |t:4,THB:2:4:11:9.8|
COC(=O)C1=C(CC2CCC1N2C)c1ccc(C(C)=O)c(c1)C(C)=O |t:4,THB:2:4:11:9.8|
CN=C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Clc1ccccc1\C=C(\c1ccccc1)c1ccccn1
Clc1cnc(-c2ccccc2)n1Cc1ccccc1
C(c1ccccc1)c1ccnc(Cc2ccccc2)c1
CN=C=C(c1ccccc1)c1ccccc1
c1ccc(cc1)-c1nnnn1-c1cnc2ccccc2c1
c1ccc2cc(ccc2c1)-c1nnnn1-c1cnc2ccccc2c1
CN(C)CCC(C#N)(c1ccccc1)c1ccccc1
Clc1nnc(-c2ccccc2)c(-c2ccccc2)c1C#N
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
CNc1c2c(nc(n1)C#Cc3ccc(s3)Cl)n(cn2)[C@@H]4[C@H]5C[C@]5([C@H]([C@H]4O)O)C(=O)OC
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCC |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Cl)s1 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(cc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1)C(=O)OC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
[H][C@@]12CCC(C[C@@H]([C@@H]1C(=O)OC)c1ccc([125I])cc1)N2C |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(O)=O |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCC |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)c(F)c1 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OC(C)C |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCCC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NCCN |r|
CCCNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1)C(=O)OCC |r|
[O-][N+](=O)c1ccc(CNC2CCC(OC2)C(c2ccccc2)c2ccccc2)cc1
N#Cc1ccc(CNC2CCC(OC2)C(c2ccccc2)c2ccccc2)cc1
COc1ccc(CNC2CCC(OC2)C(c2ccccc2)c2ccccc2)cc1
CN1C2C[C@@H](C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(O)=O |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|
CN1C2C[C@@H](O)C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:5:4:1:7.9.8,THB:10:8:1:3.4|
CN1C2C[C@H](O)C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:5:4:1:7.9.8,THB:10:8:1:3.4|
CCN(CC)C1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
C(Cc1cn(-c2ccccc2)c2ccccc12)C1CCNCC1
Clc1ccc2[nH]cc(CC3CCNCC3)c2c1
C(Cc1cn(Cc2ccccc2)c2ccccc12)C1CCNCC1
Fc1ccc2[nH]cc(CC3CCNCC3)c2c1
CN1CCC(CCc2cn(C)c3ccccc23)CC1
Cn1cc(CCC2CCNCC2)c2ccccc12
CN1CCC(CCc2c[nH]c3ccccc23)CC1
C(CC1CCNCC1)Cc1c[nH]c2ccccc12
COc1ccc2[nH]cc(CC3CCNCC3)c2c1
COc1ccc2[nH]cc(CCC3CCNCC3)c2c1
C(C1CCNCC1)c1c[nH]c2ccccc12
C(Cc1c([nH]c2ccccc12)-c1ccccc1)C1CCNCC1
Oc1ccc2[nH]cc(CCC3CCNCC3)c2c1
Brc1ccc2[nH]cc(CC3CCNCC3)c2c1
Oc1ccc2c(CCC3CCNCC3)c[nH]c2c1
Clc1ccc2[nH]cc(CCC3CCNCC3)c2c1
Cc1[nH]c2ccccc2c1CCC1CCNCC1
CN[C@H]1CC[C@@H](c2ccccc2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12
N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Cl)cc2Cl)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(Br)cc2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(F)cc2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccccc2OC)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(c2)C(F)(F)F)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2ccccc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(OC)cc2)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12
CCCCOc1ccc(cc1)[C@@H]1CC[C@H](NC)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2cccc(OC)c2)c2ccccc12 |r|
CN(C)[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12 |r|
CN(C)[C@@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12
CN[C@H]1CC[C@@H](c2ccc(Br)cc2)c2ccccc12 |r|
N[C@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2cccc(OC)c2)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12 |r|
N[C@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12 |r|
CN(C)[C@@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12
CN[C@@H]1CC[C@@H](c2ccc(Oc3ccccc3)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Oc3ccccc3)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccccc2OC)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(F)c(OC)c2)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(c2)C(F)(F)F)c2ccccc12 |r|
CN(C)[C@@H]1CC[C@@H](c2ccccc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CCCCOc1ccc(cc1)[C@@H]1CC[C@@H](NC)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(F)cc2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(F)c(OC)c2)c2ccccc12
CN[C@@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12 |r|
CN(C)[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(OC)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CN(C)C1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
CNC1CC(c2ccccc12)c1ccccc1
CNC1CC(c2ccccc12)c1ccc(cc1)C(F)(F)F
CNC1CC(c2ccccc12)c1ccc(Cl)c(c1)C(F)(F)F
CCCNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CNCCCC1(OC(C)(C)c2ccccc12)c1ccccc1
CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3
FC(F)(F)c1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1
C1C[C@@H]2N(C1)C[C@H](C1CCCCC1)c1ccccc21 |r|
CS(=O)(=O)c1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
Fc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(F)ccc12 |r|
Clc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1 |r|
O=C(Nc1ccccc1)Nc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12
Fc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
C[C@@]12CCCCN1C[C@@H](c1ccccc1)c1ccccc21
COc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Clc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2cc(Cl)ccc12
COc1cccc2[C@H]3CCCN3C[C@@H](c3ccccc3)c12
COc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12
C1CN2C[C@@H](c3ccccc3)c3ccccc3[C@H]12
Oc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
COc1cc2[C@H]3CCCN3C[C@@H](c3ccccc3)c2cc1OC
Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@@H]2c2ccccc12
C1C[C@@H]2N(C1)C[C@H](c1cccs1)c1sccc21 |r|
N#Cc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Oc1cc2[C@H]3CCCN3C[C@@H](c3ccccc3)c2cc1O |r|
Clc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc23)c(Cl)c1
Fc1cccc(Cl)c1[C@@H]1CN2CCC[C@@H]2c2ccccc12
Cn1ccc2[C@@H]3CCCN3C[C@@H](c12)c1ccccc1 |r|
COc1ccc(cc1OC)[C@@H]1CN2CCCC2c2cc(OC)c(OC)cc12
Clc1cccc2[C@H]3CCCN3C[C@@H](c3ccccc3)c12
Clc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12
C1CCN2C[C@H](c3ccccc3)c3ccccc3[C@@H]2C1
C1CN2C[C@H](c3ccccc3)c3ccccc3[C@H]12
COc1ccc2[C@@H](CN3CCC[C@H]3c2c1)c1ccccc1 |r|
Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(Cl)ccc12
Clc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
C[C@@]1(CN2CCC[C@H]2c2ccccc12)c1ccccc1 |r|
O=C(Nc1ccccc1)Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
C#Cc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
[O-][N+](=O)c1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
CCCCc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Oc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
COc1ccc(NC(=O)Nc2ccc(cc2)[C@@H]2CN3CCC[C@H]3c3ccccc23)cc1
Oc1cccc(c1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
COc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
Brc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
FC(F)(F)c1cccc(c1)[C@@H]1CN2CCCC2c2cc(Cl)ccc12
O[C@@]1(CN2CCC[C@H]2c2ccccc12)c1ccccc1
CCN1CC(c2ccccc2)c2ccccc2C1
COc1ccc(cc1OC)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
C1C[C@@H]2N(C1)C[C@@H](c1sccc21)c1ccccc1 |r|
FC(F)(F)c1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
CSc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12
Oc1ccc(cc1O)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
CS(=O)(=O)c1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Oc1ccc(cc1O)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1
C[C@@]12CCCN1C[C@H](c1ccc(Cl)cc1)c1ccccc21
NC(=O)c1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@H]2c2ccccc12
CC(=O)Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Cc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12
C1C[C@@H]2N(C1)C[C@@H](c1c2[nH]c2ccccc12)c1ccccc1 |r|
COc1cc2[C@@H]3CCCN3C[C@@H](c3ccccc3)c2cc1OC |r|
O[C@]1(CN2CCC[C@H]2c2ccccc12)c1ccccc1 |r|
C[C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21
Oc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Fc1ccc(cc1)[C@H]1C[C@H](N2CCN(CCN3CCNC3=O)CC2)c2cc(F)ccc12
Fc1ccc(cc1)[C@H]1C[C@H](N2CCNCC2)c2ccccc12
CN1CCN(CC1)[C@H]1C[C@@H](c2ccc(F)cc12)c1ccc(F)cc1
CN1CCN(CC1)[C@@H]1C[C@H](c2ccc(F)cc12)c1ccc(F)cc1
Fc1ccc(cc1)[C@@H]1C[C@@H](N2CCNCC2)c2ccccc12
Fc1ccc(cc1)[C@H]1C[C@H](N2CCN(CCN3CCNC3=O)CC2)c2ccccc12
Fc1ccc(cc1)[C@@H]1C[C@@H](N2CCN(CCN3CCNC3=O)CC2)c2cc(F)ccc12
COC(=O)C1C2CCC(CC1c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)N2C |TLB:11:10:23:6.7,2:4:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(N)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Cc1ccc2[C@H](CN)O[C@@H](Cc2c1O)C1CCCCC1
NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1cccc(N)c1)N2C |TLB:23:22:4.10.9:6.7,11:10:22:6.7,THB:2:4:22:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1ccccc1)N2C |TLB:11:10:21:6.7,22:21:4.10.9:6.7,THB:2:4:21:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1ccc(cc1)[N+]([O-])=O)N2C |TLB:25:24:4.10.9:6.7,11:10:24:6.7,THB:2:4:24:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1ccc(N)cc1)N2C |TLB:11:10:22:6.7,23:22:4.10.9:6.7,THB:2:4:22:6.7|
COC(=O)[C@H]1[C@H]2CCC(C[C@H]1OC(=O)c1ccccc1)N2C |TLB:2:4:20:6.7,THB:11:10:20:6.7|
COC(=O)[C@H]1[C@H]2CCC(C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:11:10:20:6.7,2:4:20:6.7|
COC(=O)[C@@H]1[C@H]2CCC(C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:11:10:20:6.7,THB:2:4:20:6.7|
CCCN1C2CCC1C([C@H](C2)c1ccc(F)cc1)C(=O)OC |TLB:18:8:3:6.5,11:9:3:6.5,THB:2:3:8.9.10:6.5|
COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)cc1)N2CC=C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
CNC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(Cl)cc1 |TLB:9:7:1:4.3,18:6:1:4.3,0:1:6.7.8:4.3|
CCOC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:22:21:5.11.10:7.8,THB:12:11:21:7.8,3:5:21:7.8|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3,0:1:6.7.8:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCCc1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3,0:1:6.7.8:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)Oc1ccccc1 |TLB:18:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(cc1)N=C=S |TLB:0:1:6.7.8:4.3,9:7:1:4.3,18:6:1:4.3|
CN1[C@@H]2CCC1C(COC(C)=O)[C@H](C2)OC(=O)c1ccccc1 |TLB:0:1:6.12.13:4.3,14:12:1:4.3,7:6:1:4.3|
CCCOC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:23:22:6.12.11:8.9,THB:13:12:22:8.9,4:6:22:8.9|
CC(C)OC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:23:22:6.12.11:8.9,THB:4:6:22:8.9,13:12:22:8.9|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(N)cc1 |TLB:9:7:1:4.3,18:6:1:4.3,0:1:6.7.8:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(cc1)[N+]([O-])=O |TLB:0:1:6.7.8:4.3,9:7:1:4.3,18:6:1:4.3|
CCOC(=O)CCC(=O)Nc1ccc(CCOC(=O)C2C3CC[C@H](C[C@@H]2OC(=O)c2ccccc2)N3C)cc1 |TLB:36:35:19.25.24:21.22,THB:26:25:35:21.22,17:19:35:21.22|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCc1ccccc1 |TLB:18:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1[C@@H]2CCC1C(CO)[C@H](C2)OC(=O)c1ccccc1 |TLB:11:9:1:4.3,7:6:1:4.3,0:1:6.9.10:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(cc1)N=[N+]=[N-] |TLB:0:1:6.7.8:4.3,9:7:1:4.3,18:6:1:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(NC(=O)CBr)cc1 |TLB:0:1:6.7.8:4.3,9:7:1:4.3,18:6:1:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OC\C=C\c1ccccc1 |TLB:0:1:6.7.8:4.3,9:7:1:4.3,18:6:1:4.3|
COC(=O)C1C2CC[C@H](CC1OC(=O)c1ccccc1)N2Cc1ccccc1 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)C1C2CC[C@H](CC1OC(=O)c1ccccc1)N2C(C)=O |TLB:11:10:20:6.7,THB:2:4:20:6.7|
CN1CC2CC1CC(C2)OC(=O)c1cc(F)cc(F)c1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
COC(=O)C1C2CC[C@H](CC1OC(=O)c1ccccc1)[N+]2(C)C |TLB:11:10:20:6.7,THB:2:4:20:6.7|
COC(=O)C1C2CC[C@H](CC1OC(=O)c1ccccc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(cc1)[N+]([O-])=O |TLB:0:1:6.7.8:4.3|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(N=[N+]=[N-])c(I)c1)N2C |TLB:22:21:4.10.9:6.7,THB:11:10:21:6.7,2:4:21:6.7|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=C=S |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N)c(I)c1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(N)cc1 |TLB:0:1:6.7.8:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(cc1)N=[N+]=[N-] |TLB:0:1:6.7.8:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N)cc1 |TLB:16:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=[N+]=[N-] |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N=[N+]=[N-])c(I)c1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(NC(=O)CBr)cc1 |TLB:0:1:6.7.8:4.3,9:7:1:4.3,18:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(NC(=O)CBr)cc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1[C@@H]2CCC1[C@H]([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCCc1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3,0:1:6.7.8:4.3|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(N)c(I)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)[N+]([O-])=O |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(cc1)N=C=S |TLB:0:1:6.7.8:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccccc1 |TLB:0:1:6.7.8:4.3|
CN1[C@@H]2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:23:22:6.12.11:8.9,THB:4:6:22:8.9,13:12:22:8.9|
CN1[C@@H]2CCC1[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1[C@@H]2CCC1[C@H]([C@H](C2)OC(=O)c1ccccc1)C(=O)Oc1ccccc1 |TLB:18:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CCOC(=O)[C@@H]1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:22:21:5.11.10:7.8,THB:12:11:21:7.8,3:5:21:7.8|
CN1[C@@H]2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:21:20:6.12.11:8.9,THB:4:6:20:8.9,13:12:20:8.9|
CCCOC(=O)[C@@H]1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:23:22:6.12.11:8.9,THB:13:12:22:8.9,4:6:22:8.9|
CN1[C@@H]2CCC1[C@@H](C=C)[C@H](C2)OC(=O)c1ccccc1 |TLB:11:9:1:4.3,7:6:1:4.3|
CN1[C@@H]2CCC1[C@@H](\C=C\Cl)[C@H](C2)OC(=O)c1ccccc1 |TLB:12:10:1:4.3,7:6:1:4.3|
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccc(N=[N+]=[N-])c(I)c1)N2C |TLB:25:24:4.10.9:6.7,THB:11:10:24:6.7,2:4:24:6.7|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)Oc1ccccc1 |TLB:0:1:6.7.8:4.3|
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(F)cc1)N2
CN1[C@@H]2CCC1C(COC(C)=O)[C@H](C2)OC(=O)c1ccccc1 |TLB:0:1:6.12.13:4.3|
CC(C)c1noc(n1)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:23:22:8.14.13:10.11,THB:6:8:22:10.11,15:14:22:10.11|
CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccc(Cl)cc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,9:7:1:4.3|
CN1C2CCC1C([C@H](C2)c1ccc(C)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
COc1ccc(cc1)-c1noc(n1)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:28:27:13.19.18:15.16,THB:11:13:27:15.16,20:19:27:15.16|
CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccc(Br)cc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,9:7:1:4.3|
COC(=O)C1C2CCC(C[C@H]1c1ccc(N)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
CN1C2CCC1C(CO)[C@@H](C2)OC(=O)c1ccccc1 |TLB:11:9:1:4.3,7:6:1:4.3|
COC(=O)C1C2CCC(C[C@H]1c1ccc(F)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
CN1C2CCC1C([C@@H](C2)OC(=O)c1ccccc1)C(O)=O |TLB:9:7:1:4.3,18:6:1:4.3|
COC(=O)C1C2CCC(C[C@H]1c1ccccc1)N2C |THB:2:4:17:6.7,11:10:17:6.7|
COC(=O)C1C2CCC(C[C@H]1c1ccc(OC)cc1)N2C |THB:2:4:19:6.7,11:10:19:6.7|
CN1C2CCC1C([C@@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3|
COC(=O)C1C2CCC(C[C@H]1OC(=O)c1ccccc1)N2 |THB:11:10:20:6.7,2:4:20:6.7|
CN1C2CCC1C([C@@H](C2)OC(=O)c1ccccc1)C(=O)Oc1ccccc1 |TLB:18:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C([C@@H](C2)OC(=O)c1ccccc1)C(=O)OCCc1ccc(N)cc1 |TLB:9:7:1:4.3,18:6:1:4.3|
COC(=O)C1C2CCC(C[C@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 |THB:11:10:20:6.7,2:4:20:6.7|
CCN1C(=O)C=CC1=O
CC(=O)C=C
COC(=O)C=C
C=CC(=O)N
COC(=O)C1C2CCC(CC1c1cccc(Br)c1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
CCCC[Sn](CCCC)(CCCC)c1cccc(c1)C1CC2CCC(C1C(=O)OC)N2C |TLB:31:30:25.19.20:23.22,THB:26:25:30:23.22|
COC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(cc1)[Sn](C)(C)C)N2CCF |TLB:22:21:4.10.9:6.7|
COC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(F)cc1)N2C |TLB:19:18:4.10.9:6.7|
COC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7|
COC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(cc1)[Sn](C)(C)C)N2CCCF |TLB:22:21:4.10.9:6.7|
COC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(I)cc1)N2CCCF |TLB:19:18:4.10.9:6.7|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2CCCF |TLB:21:20:6.12.11:8.9|
CC(C)OC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(cc1)[Sn](C)(C)C)N2CCF |TLB:24:23:6.12.11:8.9|
CC(C)OC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(cc1)[Sn](C)(C)C)N2CCCF |TLB:24:23:6.12.11:8.9|
COC(=O)[C@@H]1C2CC[C@H](CC1c1ccc(I)cc1)N2CCF |TLB:19:18:4.10.9:6.7|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2CCF |TLB:21:20:6.12.11:8.9|
COC(=O)C1C2CC[C@H](CC1OC(=O)Nc1cccc(c1)N=[N+]=[N-])N2C |THB:25:24:4.10.9:6.7|
COC(=O)C1C2CC[C@H](CC1OC(=O)Nc1ccc(cc1)N=C=S)N2C |THB:25:24:4.10.9:6.7|
COC(=O)C1C2CC[C@H](CC1OC(=O)Nc1ccc(cc1)N=[N+]=[N-])N2C |THB:25:24:4.10.9:6.7|
COC(=O)C1C2CC[C@H](CC1OC(=O)Nc1cccc(c1)N=C=S)N2C |THB:25:24:4.10.9:6.7|
CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
COc1ccc(cc1)C(OC1CC2CCC(C1)N2C)c1ccccc1 |TLB:9:10:17:13.14|
COc1ccc(cc1)C(OC1CC2CCC(C1)N2C)c1ccc(OC)cc1 |TLB:9:10:17:13.14|
COC(=O)C1C2CCC(C[C@@H]1c1cccc(F)c1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(C[C@@H]1c1ccc(O)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(C[C@@H]1c1ccc(N)c(Br)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
CCc1ccc(cc1)[C@H]1C[C@H]2CCC(C1C(=O)OC)N2C |THB:15:14:19:12.11,5:8:19:12.11,20:19:14.8.9:12.11|
COC(=O)C1C2CCC(C[C@@H]1c1cccc(I)c1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(C[C@@H]1c1cccc(Cl)c1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(C[C@@H]1c1ccc(cc1)[Sn](C)(C)C)N2C |TLB:11:10:21:6.7,THB:2:4:21:6.7|
CN(C)CCN1C2CCC1[C@@H](C=C)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |r,TLB:11:10:5:8.7,THB:15:13:5:8.7|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1NC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCN |r,TLB:12:11:28:7.8,THB:3:5:28:7.8|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](N)C(C)C |r,TLB:12:11:28:7.8,THB:3:5:28:7.8|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CC1CC1 |r,TLB:12:11:8.7:28,THB:3:5:8.7:28|
CC(C)[C@@H](N)CN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r,@:12,THB:14:12:6:8.9|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCN1CCCCC1)c1ccc(F)cc1 |@@:9,TLB:8:9:16:12.13|
CN(C)CCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |@:11,THB:13:11:5:7.8|
CN(C)CCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |@:11,THB:13:11:5:7.8|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccccc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccc(F)cc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccc(C)cc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCc1c[nH]c2ccccc12 |r,TLB:12:11:28:7.8,THB:3:5:28:7.8|
CC(C)[C@@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(Cl)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CCCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:6.7:9.11.10,THB:12:10:6.7:4|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3|
Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCN1CCCCC1)c1ccc(F)cc1 |@@:9,TLB:8:9:16:12.13|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccc(Cl)cc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2S(=O)(=O)c1ccc(OC)cc1 |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2S(=O)(=O)C(F)(F)F |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7|
[H][C@@]12CCC(N1S(=O)(=O)N=C=O)[C@]([H])([C@H](C2)OC(=O)c1ccccc1)C(=O)OC |TLB:6:5:12.14.15:3.2,THB:16:14:5:3.2,25:12:5:3.2|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2S(C)(=O)=O |THB:11:10:20:6.7,2:4:20:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2S(=O)(=O)c1ccccc1 |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7|
CN1[C@@H]2CCC1C(CC\C=C\C(O)=O)[C@H](C2)c1ccccc1 |TLB:16:14:1:4.3,7:6:1:4.3|
CN1[C@@H]2CCC1C(\C=C\CO)[C@H](C2)c1ccccc1 |TLB:7:6:1:4.3,13:11:1:4.3|
COC(=O)C1C2CCC(C[C@@H]1c1ccccc1)N2 |TLB:11:10:17:6.7,THB:2:4:17:6.7|
COC(=O)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |THB:11:10:20:6.7,2:4:20:6.7|
CN1C2CCC1C(C(C2)c1ccc(F)cc1)C(C)=O |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1)N2C |THB:24:23:4.10.9:6.7,2:4:23:6.7,11:10:23:6.7|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(C)=O |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
CCC(=O)C1C2CCC(CC1C1CCCCC1)N2C |THB:2:4:17:6.7,11:10:17:6.7,18:17:4.10.9:6.7|
CCc1ccc(cc1)C1CC2CCC(C1C(C)=O)N2C |THB:15:14:18:12.11,5:8:18:12.11,19:18:14.8.9:12.11|
CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
CCC(=O)C1C2CCC(CC1c1ccccc1)N2C |THB:2:4:17:6.7,11:10:17:6.7,18:17:4.10.9:6.7|
CCOC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |THB:3:5:19:7.8,12:11:19:7.8,20:19:5.11.10:7.8|
CN1C2CCC1C(C(C2)c1ccccc1)C(C)=O |TLB:15:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)(C)C)N2C |THB:22:21:4.10.9:6.7,2:4:21:6.7,11:10:21:6.7|
CCC(=O)C1C2CCC(CC1c1ccccc1C)N2C |THB:11:10:18:6.7,2:4:18:6.7,19:18:4.10.9:6.7|
CCC1CC2CCC(C1C(=O)CC)N2C |THB:9:8:13:6.5,14:13:8.2.3:6.5,1:2:13:6.5|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1ncc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccc(Cl)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN(C)C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:12:11:19:7.8,THB:3:5:19:7.8|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccc(Cl)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CON(C)C(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CCN(CC)C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:14:13:21:9.10,THB:5:7:21:9.10|
COc1ccc(OC(=O)C2C3CCC(CC2c2ccc(C)cc2)N3C)cc1 |TLB:16:15:23:11.12,THB:7:9:23:11.12|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(N)=O |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CONC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:12:11:19:7.8,THB:3:5:19:7.8|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OCCCc1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3|
CCCOC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:13:12:22:8.9,4:6:22:8.9|
CON(C)C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
COc1ccc(OC(=O)C2C3CCC(CC2c2ccc(Cl)cc2)N3C)cc1 |TLB:16:15:23:11.12,THB:7:9:23:11.12|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1cccc(C)c1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OCc1ccccc1 |TLB:18:6:1:4.3,9:7:1:4.3|
CN(C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C)c1ccccc1 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(Cl)cc1)C(=O)N1CCCC1)N2C |r,TLB:9:7:23:3.2,THB:16:6:23:3.2|
CC(C)OC(=O)C1C2CCC(CC1c1ccccc1)N2C |TLB:13:12:19:8.9,THB:4:6:19:8.9|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(N)=O |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1C |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CON(C)C(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:4:6:22:8.9,13:12:22:8.9|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccc(I)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CON(C)C(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccc(C)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)N1CCOCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(C)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
CNC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:2:4:20:6.7,11:10:20:6.7|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)N1CCOCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CCC(CC)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:15:14:22:10.11,THB:6:8:22:10.11|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1C |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccc(C)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CCN(CC)C(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:14:13:21:9.10,THB:5:7:21:9.10|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OC\C=C\c1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCO |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)N1CCCO1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1cccc(C)c1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)N1CCCCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OC1CCCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CCOC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:12:11:21:7.8,3:5:21:7.8|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)N1CCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)OC1CC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OC1CC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OC1CCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)C1C2CCC(CC1c1ccc(N)c(I)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)N1CCCO1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CC(C)OC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:4:6:22:8.9,13:12:22:8.9|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)Oc1ccccc1 |TLB:18:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccccc1)C(=O)Oc1ccccc1 |TLB:15:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC1CC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(N)=O |TLB:18:6:1:4.3,9:7:1:4.3|
CN(C)C(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:3:5:21:7.8,12:11:21:7.8|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OCCc1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(O)=O |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(s1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(C)o1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc2ccccc2s1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnn[nH]1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ncc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnn[nH]1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(s1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(C)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(Cl)cc1)c1nc2ccccc2s1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(I)cc1)c1ccc(I)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(Br)cc1)c1ccc(I)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(C)cc1)c1ccc(C)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccccc1)c1ccc(I)cc1)N2C |TLB:11:10:26:6.7,THB:2:4:26:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(Br)cc1)c1ccc(Br)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
CCC(O[C@H]1CC2CCC(C1C(=O)OC)N2C)c1ccccc1 |TLB:3:4:15:8.7,THB:11:10:15:8.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2Cc1ccccc1 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCCc1ccccc1 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccccc1)c1ccc(F)cc1)N2C |TLB:11:10:26:6.7,THB:2:4:26:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccccc1)c1ccc(Br)cc1)N2C |TLB:11:10:26:6.7,THB:2:4:26:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccccc1)c1ccc(C)cc1)N2C |TLB:11:10:26:6.7,THB:2:4:26:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC1c3ccccc3-c3ccccc13)N2C |TLB:11:10:25:6.7,THB:2:4:25:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCc1ccc(Br)cc1 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCc1ccc(I)cc1 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccccc1)c1ccccc1)N2C |TLB:11:10:25:6.7,THB:2:4:25:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(c1ccccc1)c1ccc(Cl)cc1)N2C |TLB:11:10:26:6.7,THB:2:4:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C(=O)C(C)C |THB:2:4:18:6.7|
COC(=O)CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC |TLB:20:10:5:8.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCO |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCl |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CC1CC1 |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCBr |THB:2:4:18:6.7|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |THB:4:6:20:8.9|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CC(F)F |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCOS(C)(=O)=O |THB:2:4:18:6.7|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF |THB:4:6:20:8.9|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCI |THB:2:4:18:6.7|
COC(CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC)OC |TLB:19:9:4:7.6|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C#C)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7,11:10:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C\C)cc1)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(CC=C)cc1)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7,11:10:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C#CC)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C\C)cc1)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C#CC)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/C)cc1)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/C)cc1)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
CCCc1ccc(cc1)C1CC2CCC(N2)C1C(=O)OC |TLB:6:9:15:13.12,THB:17:16:15:13.12|
COC(=O)C1C2CCC(CC1c1ccc(CC=C)cc1)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2 |THB:2:4:19:6.7,11:10:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C#C)N2 |THB:2:4:19:6.7,11:10:19:6.7|
CCCc1ccc(cc1)C1CC2CCC(C1C(=O)OC)N2C |TLB:6:9:20:13.12,21:20:15.9.10:13.12,THB:16:15:20:13.12|
CCc1ccc(cc1)C1CC2CCC(C1C(=O)OC)N2C |TLB:20:19:14.8.9:12.11,THB:15:14:19:12.11,5:8:19:12.11|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7,11:10:20:6.7|
CCc1ccc(cc1)C1CC2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11|
COC(=O)C1C2CCCC(CCC1=O)N2C |TLB:15:14:4.12.11.10:6.7.8,THB:2:4:14:6.7.8|
CN1CCC(CC1)OC(=O)c1ccc(I)cc1
COC(=O)C1CN(C)CC[C@@H]1OC(=O)c1ccc(I)cc1
COC(=O)[C@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)O2 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)O2 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)O2 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
COC(=O)[C@H]1C2CCC(C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)O2 |TLB:11:10:27:6.7,THB:2:4:27:6.7|
CCc1ccc(cc1I)C1CC2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12|
CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1CCCN=C=S
CC1CN(CCCn2c3ccccc3c3ccccc23)CC(C)N1CCN=C=S
CC1CN(CCCn2c3ccccc3c3cc(ccc23)N=C=S)CC(C)N1C
COC(=O)C[C@@H]1C2C[C@@H](Cc3ccccc3)C(C[C@@H]1Cc1ccccc1)N2C |TLB:9:8:26:5.18.17,19:18:26:8.7,THB:4:5:26:8.7|
COC(=O)CC1=C(Cc2ccccc2)CC2C(Cc3ccccc3)CC1N2C |c:5,TLB:17:16:26:5.6.14,THB:4:5:26:16.24,7:6:26:16.24,27:26:5.6.14:16.24|
COC(=O)C[C@@H]1C2CCC(C[C@@H]1Cc1ccccc1)N2C |TLB:12:11:19:7.8,THB:4:5:19:7.8|
COC(=O)C[C@H]1C2C[C@@H](Cc3ccccc3)C(C[C@@H]1Cc1ccccc1)N2C |TLB:9:8:26:5.18.17,19:18:26:8.7,THB:4:5:26:8.7|
COC(=O)CC1C2CC(Cc3ccccc3)C(CC1Cc1ccccc1)N2C |TLB:27:26:8.7:5.18.17,THB:4:5:26:8.7,9:8:26:5.18.17,19:18:26:8.7|
COC(=O)CCC1C2CCC(CC1c1ccccc1)N2C |TLB:20:19:6.12.11:8.9,THB:5:6:19:8.9,13:12:19:8.9|
COC(=O)\C=C\C1C2CCC(CC1c1ccccc1)N2C |TLB:20:19:6.12.11:8.9,THB:5:6:19:8.9,13:12:19:8.9|
CN1C2CCC1C(CCCc1ccccc1)C(C2)c1ccccc1 |TLB:18:16:1:4.3,0:1:16.6.17:4.3,7:6:1:4.3|
COC(=O)CCCCC1C2CCC(CC1c1ccccc1)N2C |TLB:22:21:14.8.13:10.11,THB:15:14:21:10.11,7:8:21:10.11|
CN1C2CCC1C(CCC(=O)c1ccccc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3,19:17:1:4.3,0:1:6.17.18:4.3|
CN1C2CCC1C(CCCO)C(C2)c1ccccc1 |TLB:13:11:1:4.3,0:1:11.6.12:4.3,7:6:1:4.3|
CN1C2CCC1C(\C=C\CO)C(C2)c1ccccc1 |TLB:7:6:1:4.3,13:11:1:4.3,0:1:6.11.12:4.3|
COC(=O)\C=C\CCC1C2CCC(CC1c1ccccc1)N2C |TLB:22:21:14.8.13:10.11,THB:15:14:21:10.11,7:8:21:10.11|
COC1NN=C(C[S+]([O-])C(c2ccccc2)c2ccccc2)S1 |t:4|
[O-][S+](Cc1nc(no1)C(F)(F)F)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1ccncc1)C(c1ccccc1)c1ccccc1
Cc1noc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1
Cc1nc(O)cc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1
Oc1cc(nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1)C(F)(F)F
Cc1cc(O)nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1
COc1cc(C)nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1
Cc1cnc(C[S+]([O-])C(c2ccccc2)c2ccccc2)nc1
[O-][S+](Cc1ccsc1)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1sccc1Cl)C(c1ccccc1)c1ccccc1
Cc1scc(C[S+]([O-])C(c2ccccc2)c2ccccc2)c1C
[O-][S+](Cc1csc(Br)c1)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1cc(Br)cs1)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1cccs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
[O-][S+](Cc1cccs1)C(c1ccccc1)c1ccccc1
Cc1ccc(cc1)C([S+]([O-])Cc1cccs1)c1ccccc1
[O-][S+](Cc1cccs1)C(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](Cc1cccs1)C(c1ccccc1)c1ccc(Br)cc1
[O-][S@@+](Cc1cccs1)[C@@H](c1ccccc1)c1ccc(Br)cc1 |r|
[O-][S@+](Cc1cccs1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r|
[O-][S+](Cc1n[nH]c(=O)s1)C(c1ccccc1)c1ccccc1
CC(C)c1nnsc1C[S+]([O-])C(c1ccccc1)c1ccccc1
[O-][S+](Cc1cc(on1)C1CC1)C(c1ccccc1)c1ccccc1
Cc1cc(C[S+]([O-])C(c2ccccc2)c2ccccc2)nc(C)n1
[O-][S+](Cc1ccsc1Br)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1ccc(Cl)s1)C(c1ccccc1)c1ccccc1
Cc1ccc(cc1)C([S+]([O-])Cc1cccs1)c1ccc(C)cc1
CN1C2CCC1C(=C(C2)c1ccccc1)c1ccccc1 |c:7,TLB:9:7:1:4.3,15:6:1:4.3|
CN1C2CCC1C(O)(C(C2)c1ccccc1)c1ccccc1 |TLB:16:6:1:4.3,10:8:1:4.3,7:6:1:4.3|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC(Br)=C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2C\C=C\I |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC#C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccccc1)N2C\C=C\I |THB:2:4:17:6.7,11:10:17:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(cc1)C(C)C)N2C\C=C\I |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2Cc1ccccc1C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2C\C=C\C |THB:2:4:18:6.7,11:10:18:6.7|
CCCc1ccc(cc1)C1CC2CCC([C@H]1C(=O)OC)N2C\C=C\I |THB:16:15:20:13.12,6:9:20:13.12|
CN1CC[C@H](C(CO)C1)c1ccc(Cl)cc1
COC(=O)C1CN(C)CC[C@@H]1c1ccccc1
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1)N2C |THB:23:22:5.11.10:7.8,12:11:22:7.8,3:5:22:7.8|
CN1C2CCC1[C@@H](CO)[C@H](C2)OC(=O)c1ccc(I)cc1 |TLB:11:9:1:4.3,7:6:1:4.3,THB:0:1:6.9.10:4.3|
CN1C2CCC1[C@H]([C@H](C2)OC(=O)c1ccc(I)cc1)c1nc(no1)-c1ccccc1 |TLB:19:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1O)N2C |THB:11:10:21:6.7,2:4:21:6.7,22:21:4.10.9:6.7|
CNC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1)N2C |THB:22:21:4.10.9:6.7,2:4:21:6.7,11:10:21:6.7|
CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1O)N2C |THB:4:6:24:8.9,25:24:6.12.11:8.9,13:12:24:8.9|
CN1C2CCC1[C@H]([C@H](C2)OC(=O)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:19:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1)N2C |THB:24:23:6.12.11:8.9,4:6:23:8.9,13:12:23:8.9|
CN1C2CCC1[C@@H](COC(C)=O)[C@H](C2)OC(=O)c1ccc(I)cc1 |TLB:14:12:1:4.3,7:6:1:4.3,THB:0:1:6.12.13:4.3|
CN1C2CCC1[C@@H](C=C)[C@H](C2)OC(=O)c1ccc(I)cc1 |TLB:11:9:1:4.3,7:6:1:4.3,THB:0:1:9.6.10:4.3|
CN1C2CCC1[C@H]([C@H](C2)OC(=O)c1ccc(I)cc1)C(=O)OCc1ccccc1 |TLB:19:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1O)N2C |THB:23:22:4.10.9:6.7,11:10:22:6.7,2:4:22:6.7|
CC[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1)N2C |THB:1:2:19:4.5,9:8:19:4.5,20:19:8.2.7:4.5|
COC(=O)[C@@H]1C2CCC([C@H]1c1ccccc1)N2C |TLB:10:9:16:6.7,THB:2:4:16:6.7|
COC(=O)[C@H]1C2CCC([C@@H]1c1ccccc1)N2C |TLB:10:9:16:6.7,THB:2:4:16:6.7|
COC(=O)[C@@H]1C2CCC([C@@H]1c1ccccc1)N2C |TLB:10:9:16:6.7,THB:2:4:16:6.7|
COC(=O)[C@H]1C2CCC([C@H]1c1ccccc1)N2C |TLB:10:9:16:6.7,THB:2:4:16:6.7|
Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@@H]1COc1ccc2OCOc2c1 |THB:15:14:13:11.10,4:7:13:11.10|
Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@@H]1COc1ccc2OCOc2c1 |THB:15:14:13:11.10,4:7:13:11.10|
CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
CN1CCc2c([nH]c3ccccc23)C(C1)c1ccccc1
CCN1CCc2c(sc3ccccc23)C(C1)c1ccccc1
CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(c1)[N+]([O-])=O
CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(Br)c1
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|
CC[C@@H]1CC2C[C@H]3C1N(C2)CCc1c3[nH]c2ccc(O)cc12 |TLB:3:4:7:13.12.11.10,THB:13:6:8.9:2.3,1:2:8.9:6.5,10:8:6.5:2.3|
CCN1CCc2c(sc3ccccc23)C(C1)c1ccc(Cl)c(Cl)c1
CN1C2CCC1CC(C2)OC(c1ccc(Br)cc1)c1ccc(Br)cc1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1N |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(cc1)[N+]([O-])=O |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(Br)cc1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(F)c(F)c1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1cccc(F)c1)c1cccc(F)c1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1cccc(F)c1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(c1)[N+]([O-])=O |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1F |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1cccc(c1)C(F)(F)F |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccc(C)cc1)c1ccc(C)cc1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Br)c1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1C |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Br)cc1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(C)c1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(F)c1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)c(Cl)c1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1Cl |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(O)cc1 |THB:9:7:1:3.4|
CCc1ccc(cc1)C(OC1CC2CCC(C1)N2C)c1ccccc1 |TLB:9:10:17:13.14|
CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1cccc(C)c1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(cc1)C#N |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1cccc(Br)c1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(c1)C(F)(F)F |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(C)cc1 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(cc1)C(C)(C)C |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1
CN(CCCN(C)CCOC(c1ccccc1)c1ccccc1)CCCc1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CCc2ccccc2)CC1=O)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCNCCCNCCc1ccccc1)c1ccc(F)cc1
Fc1ccc(CC(=O)NCCNCCOC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCNCCNC(=O)Cc1ccccc1)c1ccc(F)cc1
CN(CCOC(c1ccccc1)c1ccccc1)CCN(C)CCc1ccc(F)cc1
Fc1ccc(cc1)C(OCCNCCCNC(=O)Cc1ccccc1)c1ccc(F)cc1
O=C1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1
C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)cc(Br)c23)C[C@@H](C)N1
CN(C)C1C2CCC(CC2OC(=O)c2ccccc2)C1c1ccccc1 |TLB:20:19:9.8:5.6,THB:10:9:3.19:5.6,1:3:9.8:5.6|
CN(C)C1C2CCC(CC2=O)C1c1ccccc1 |TLB:10:9:3.11:5.6,12:11:9.8:5.6,THB:1:3:9.8:5.6|
CN(C)C1C2CCC(CC2OC(C)=O)C1c1ccccc1 |TLB:10:9:3.14:5.6,15:14:9.8:5.6,THB:1:3:9.8:5.6|
CN(C)C1C2CCC(CC2O)C1c1ccccc1 |TLB:12:11:9.8:5.6,10:9:3.11:5.6,THB:1:3:9.8:5.6|
CN(C)CC1C2CCC(CC2)C1c1ccc(Cl)c(Cl)c1 |TLB:12:11:6.7:10.9,3:4:6.7:10.9,(14.29,-10.51,;12.82,-10.91,;12.42,-12.4,;11.72,-9.83,;10.24,-10.23,;8.64,-9.3,;8.64,-7.92,;9.48,-7.09,;9.48,-8.18,;7.78,-8.95,;7.01,-10.17,;11.05,-9.11,;11.79,-7.76,;11.02,-6.45,;11.76,-5.1,;13.32,-5.1,;14.1,-3.67,;14.09,-6.42,;15.64,-6.42,;13.33,-7.76,)|
NCC1C2CCC(C2)C1c1ccc(Cl)c(Cl)c1 |TLB:1:2:7:5.4,THB:9:8:7:5.4|
NCC1C2CCC(CC2)C1c1ccc(Cl)cc1 |TLB:1:2:8.7:4.5,10:9:8.7:4.5,(8.58,-13.05,;9.68,-11.97,;9.28,-10.48,;7.7,-9.52,;6.04,-10.4,;6.81,-9.19,;8.53,-8.42,;8.52,-7.33,;7.7,-8.16,;10.09,-9.34,;10.85,-10.67,;12.37,-10.67,;13.14,-12,;12.37,-13.34,;13.12,-14.67,;10.83,-13.34,;10.06,-12,)|
NCC1C2CCC(CC2)C1c1cccc(Cl)c1 |THB:10:9:4.5:7.8,1:2:4.5:7.8,(8.58,-13.05,;9.68,-11.97,;9.28,-10.48,;7.7,-9.52,;7.7,-8.16,;8.52,-7.33,;8.53,-8.42,;6.81,-9.19,;6.04,-10.4,;10.09,-9.34,;10.85,-10.67,;10.06,-12,;10.83,-13.34,;12.37,-13.34,;13.14,-12,;14.68,-12,;12.37,-10.67,)|
CN(C)CC1C2CCC(C2)C1c1ccccc1 |TLB:3:4:9:7.6,11:10:9:7.6|
NCC1C2CCC(C2)C1c1ccccc1 |TLB:9:8:7:5.4,1:2:7:5.4|
NCC1C2CCC(C2)C1c1ccc(Cl)cc1 |TLB:1:2:7:5.4,THB:9:8:7:5.4|
NCC1C2CCC(CC2)C1c1ccccc1 |TLB:10:9:8.7:4.5,1:2:8.7:4.5,(8.58,-13.05,;9.68,-11.97,;9.28,-10.48,;7.7,-9.52,;6.04,-10.4,;6.81,-9.19,;8.53,-8.42,;8.52,-7.33,;7.7,-8.16,;10.09,-9.34,;10.85,-10.67,;12.37,-10.67,;13.14,-12,;12.37,-13.34,;10.83,-13.34,;10.06,-12,)|
CN(C)CC1C2CCC(CC2)C1c1ccccc1 |TLB:3:4:6.7:10.9,THB:12:11:6.7:10.9,(13.8,-9.71,;12.49,-8.93,;12.49,-7.39,;11.72,-9.94,;9.28,-10.48,;7.7,-9.52,;7.7,-8.16,;8.52,-7.33,;8.53,-8.42,;6.81,-9.19,;6.04,-10.4,;10.09,-9.34,;10.85,-10.67,;12.37,-10.67,;13.14,-12,;12.37,-13.34,;10.83,-13.34,;10.06,-12,)|
NCC1C2CCC(CC2)C1c1ccc(Cl)c(Cl)c1 |THB:1:2:4.5:7.8,10:9:4.5:7.8,(8.58,-13.05,;9.68,-11.97,;9.28,-10.48,;7.7,-9.52,;7.7,-8.16,;8.52,-7.33,;8.53,-8.42,;6.81,-9.19,;6.04,-10.4,;10.09,-9.34,;10.85,-10.67,;10.06,-12,;10.83,-13.34,;12.37,-13.34,;13.12,-14.67,;13.14,-12,;14.68,-12,;12.37,-10.67,)|
COc1ccc(cc1)C1C2CCC(CC2)C1CN(C)C |TLB:16:15:11.10:13.14,5:8:11.10:13.14,(14.67,-14.67,;13.12,-14.67,;12.37,-13.34,;13.14,-12,;12.37,-10.67,;10.85,-10.67,;10.06,-12,;10.83,-13.34,;10.09,-9.34,;8.53,-8.42,;6.81,-9.19,;6.04,-10.4,;7.7,-9.52,;7.7,-8.16,;8.52,-7.33,;9.28,-10.48,;9.68,-11.97,;8.58,-13.05,;7.09,-12.66,;8.98,-14.55,)|
COc1cccc(c1)C1C2CCC(C2)C1CN |TLB:6:8:13:10.11,THB:15:14:13:10.11|
COc1ccc(cc1)C1C2CCC(C2)C1CN |TLB:5:8:13:10.11,THB:15:14:13:10.11|
CN(C)CC1C2CCC(CC2)C1c1cccc(Cl)c1 |TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(13.8,-9.71,;12.49,-8.93,;12.49,-7.39,;11.72,-9.94,;9.28,-10.48,;7.7,-9.52,;6.04,-10.4,;6.81,-9.19,;8.53,-8.42,;8.52,-7.33,;7.7,-8.16,;10.09,-9.34,;10.85,-10.67,;10.06,-12,;10.83,-13.34,;12.37,-13.34,;13.14,-12,;14.68,-12,;12.37,-10.67,)|
COc1ccccc1C1C2CCC(C2)C1CN |TLB:15:14:13:10.11,THB:7:8:13:10.11|
COc1ccc(cc1)C1C2CCC(CC2)C1CN |TLB:5:8:13.14:11.10,16:15:13.14:11.10,(12.35,-16,;13.12,-14.67,;12.37,-13.34,;13.14,-12,;12.37,-10.67,;10.85,-10.67,;10.06,-12,;10.83,-13.34,;10.09,-9.34,;8.53,-8.42,;6.81,-9.19,;6.04,-10.4,;7.7,-9.52,;7.7,-8.16,;8.52,-7.33,;9.28,-10.48,;9.68,-11.97,;8.58,-13.05,)|
NCC1C2CCC(CC2)C1c1ccc(N)cc1 |TLB:10:9:8.7:4.5,THB:1:2:8.7:4.5,(12.49,-8.93,;11.72,-9.94,;9.28,-10.48,;7.7,-9.52,;6.04,-10.4,;6.81,-9.19,;8.53,-8.42,;8.52,-7.33,;7.7,-8.16,;10.09,-9.34,;10.85,-10.67,;10.06,-12,;10.83,-13.34,;12.37,-13.34,;13.14,-14.67,;13.14,-12,;12.37,-10.67,)|
NCC1C2CCC(C2)C1c1cccc(Cl)c1 |TLB:1:2:7:5.4,THB:9:8:7:5.4|
Cc1nnc2sc(C(=O)NC3CN(C3)c3cccc(F)c3F)c(N)c2c1C
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1cccc2ccccc12 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:5:6:3.2:9.10|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccoc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccco1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(F)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(cc1)-c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:5:6:3.2:9.10|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C/c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
CC(=O)OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:8:9:6.5:12.13|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1cccs1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:22:21:4.10.9:6.7,11:10:21:6.7,THB:2:4:21:6.7|
COC(=O)C1=C(CC2CCC1C2)c1ccccc1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)c1ccccc1-c1ccc2ccccc2c1
COC(=O)c1ccccc1-c1ccccc1
COC(=O)c1ccccc1-c1ccc(F)cc1
COC(=O)C1C2CCC(C2)CC1c1ccccc1 |TLB:12:11:9:6.7,THB:2:4:9:6.7|
COC(=O)C1=C(CC2CCC1N2C)c1ccc(F)cc1 |t:4,THB:2:4:11:9.8,13:5:11:9.8,12:11:4.5.6:9.8|
COC(=O)[C@@H]1C2CCC(C2)CC1c1ccc2ccccc2c1 |TLB:2:4:9:6.7,THB:12:11:9:6.7|
COC(=O)c1ccccc1-c1ccc(Cl)cc1
COC(=O)C1=C(CC2CCC1N2C)c1ccc2ccccc2c1 |t:4,THB:12:11:4.5.6:9.8,13:5:11:9.8,2:4:11:9.8|
COC(=O)C1=C(CC2CCC1C2)c1ccc(F)cc1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)C1C2CCC(C2)CC1c1ccc(F)cc1 |TLB:12:11:9:6.7,THB:2:4:9:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:2:4:21:6.7,THB:11:10:21:6.7|
COC(=O)c1ccccc1-c1ccc(cc1)-c1ccc(Br)cc1
COC(=O)[C@@H]1C2CCC(C2)CC1c1ccc(Cl)c(Cl)c1 |TLB:2:4:9:6.7,THB:12:11:9:6.7|
COC(=O)C1=C(CC2CCC1C2)c1ccc2ccccc2c1 |t:4,TLB:12:5:11:9.8,THB:2:4:11:9.8|
COC(=O)c1ccccc1C(=O)OC
COC(=O)c1ccccc1OC(=O)c1ccccc1
CN1[C@@H]2CC3OC(=O)C(C13)C(C2)c1ccc(C)cc1 |TLB:0:1:8.10.11:4.3|
CCCC1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:18:17:9.3.8:5.6,THB:10:9:17:5.6,2:3:17:5.6|
CN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1
Fc1ccc(CCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1
Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1
C(CNC1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C(COC(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1
CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1
C(CN1CCCC(CNCCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1
C(CNCC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1
CN1C2CCC1CN(CCOC(c1ccccc1)c1ccccc1)CC2 |TLB:8:7:1:3.4|
Fc1ccc(cc1)C(OCCN1CC2CCC(C1)N2C\C=C\c1cccs1)c1ccc(F)cc1 |THB:19:18:14.15:11.12.17,10:11:14.15:18|
Fc1ccc(cc1)C(OCCN1CC2CCC(C1)N2Cc1cc2ccccc2[nH]1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |THB:19:18:14.15:11.12.17,10:11:14.15:18|
Fc1ccc(cc1)C(OCCN1CC2CC1CN2CCCc1ccccc1)c1ccc(F)cc1 |THB:18:17:11.12:14,10:11:14:16.17|
Fc1ccc(cc1)C(OCCN1CC2CCC(C1)N2C\C=C\c1cccnc1)c1ccc(F)cc1 |THB:19:18:14.15:11.12.17,10:11:14.15:18|
C(CN1CCC2CCC(C1)N2)OC(c1ccccc1)c1ccccc1
CN1C2CCC1CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 |TLB:8:7:1:3.4|
C(CN1C2CCC1CN(CCOC(c1ccccc1)c1ccccc1)C2)Cc1ccccc1 |THB:1:2:4.5:7.8.25,9:8:2:4.5|
CN1CC2CC1CN2CCOC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:0:1:4:6.7,8:7:1.2:4|
CN1C2CCC1CN(CCOC(c1ccccc1)c1ccccc1)C2
C(CN1C2CCC1CN(CCOC(c1ccccc1)c1ccccc1)CC2)Cc1ccccc1 |TLB:9:8:2:4.5|
CN1C2CCC1CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |THB:0:1:3.4:6.7.26,8:7:1:3.4|
C(CN1CC2CC1CN2CCOC(c1ccccc1)c1ccccc1)Cc1ccccc1 |THB:1:2:5:7.8,9:8:2.3:5|
Fc1ccc(cc1)C(OCCN1CC2CCC(C1)N2C\C=C\c1ccco1)c1ccc(F)cc1 |THB:19:18:14.15:11.12.17,10:11:14.15:18|
CN1CC2CC1CN2CCOC(c1ccccc1)c1ccccc1 |THB:0:1:4:6.7,8:7:1.2:4|
Fc1ccc(cc1)C(OCCN1CCC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:10:11:15.16:19|
CN[C@@H]1CC(c2cc(OC)ccc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2cc(OC)c(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2c1cccc2OC)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1OC
CN[C@@H]1CC(c2cccc(OC)c12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1[C@@H](O)C(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r|
CCN(C)[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r|
CCCN[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CC(C)N[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN([C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1)C(C)(C)C
CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CCCN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CCN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(C)C1CC(c2ccc(I)cc12)c1ccc(Cl)c(Cl)c1
CN(Cc1ccccc1)[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r|
CN([C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1)C(C)(C)C
CCCN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CC(C)(C)N[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(Cc1ccccc1)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CC(C)N(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CN(C)[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CCN[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CC(C)(C)N[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CC(C)N[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CC(C)N(C)[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CCN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
CCCN(C)[C@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)[C@@H]1C[C@H](NCc2ccccc2)c2ccccc12
Clc1ccc(cc1Cl)[C@@H]1C[C@@H](NCc2ccccc2)c2ccccc12
Nc1ccc(CCCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:17:15:9:11.12|
[H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](C)c1ccccc1 |r,TLB:9:7:25:3.2|
[H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@@H](CC)c1ccccc1 |r,TLB:9:7:25:3.2|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
[O-][N+](=O)c1ccc(CCCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:19:17:11:13.14|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
[H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@@H](C)c1ccccc1 |r,TLB:9:7:25:3.2|
CC(C)[C@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2C\C=C\c1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
[H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](CC)c1ccccc1 |r,TLB:9:7:25:3.2|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1cccc2ccccc12)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC=C)c1ccc(F)cc1 |TLB:8:9:16:12.13|
COC(=O)C1CN(C)CC[C@@H]1c1ccc(cc1)C#C
COC(=O)C1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccccc1
COC(=O)C1CN(C)CC[C@@H]1c1cccc2ccccc12
COC(=O)C1CN(C)CC[C@@H]1c1ccc(CC=C)cc1
COC(=O)C1CN(C)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(C)CC[C@@H]1c1ccc(C=C)cc1
COC(=O)C1CNCC[C@H]1c1ccc2ccccc2c1
CCc1ccc(cc1)[C@H]1CCN(C)CC1C(=O)OC
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)OCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)\C=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccccc1)c1ccc(Cl)cc1
COC(=O)C1C2[C@@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.8,12:11:20:6.8,THB:7:6:20:4.11.10,2:4:20:6.8|
COC(=O)C1C2C[C@H](O)C(CC1c1ccccc1)N2C |TLB:19:18:4.11.10:6.7,8:7:18:4.11.10,THB:2:4:18:6.7,12:11:18:6.7|
COC(=O)C1C2[C@H](O)CC(CC1c1ccc(F)cc1)N2C |TLB:20:19:4.11.10:6.8,THB:2:4:19:6.8,12:11:19:6.8,7:6:19:4.11.10|
COC(=O)C1=C(CC2C[C@@H](O)C1N2C)c1ccccc1 |t:4,THB:2:4:12:9.8,14:5:12:9.8,10:9:12:4.5.6,13:12:4.5.6:9.8|
COC(=O)C1C2C[C@H](O)C(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.7,8:7:20:4.11.10,12:11:20:6.7,THB:2:4:20:6.7|
COC(=O)C1C2C[C@@H](O)C(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.7,8:7:20:4.11.10,12:11:20:6.7,THB:2:4:20:6.7|
COC(=O)C1=C(CC2C[C@@H](O)C1N2C)c1ccc2ccccc2c1 |t:4,THB:13:12:4.5.6:9.8,10:9:12:4.5.6,2:4:12:9.8,14:5:12:9.8|
COC(=O)C1=C(CC2C[C@@H](O)C1N2C)c1ccc(Cl)c(Cl)c1 |t:4,THB:10:9:12:4.5.6,13:12:4.5.6:9.8,2:4:12:9.8,14:5:12:9.8|
COC(=O)C1=C(CC2C[C@H](O)C1N2C)c1ccc(Cl)c(Cl)c1 |t:4,TLB:10:9:12:4.5.6,2:4:12:9.8,THB:13:12:4.5.6:9.8,14:5:12:9.8|
COC(=O)C1=C(CC2[C@@H](O)CC1N2C)c1ccc(F)cc1 |t:4,TLB:9:8:12:4.5.6,THB:2:4:12:10.8,14:5:12:10.8,13:12:4.5.6:10.8|
COC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.8,THB:7:6:20:4.11.10,2:4:20:6.8,12:11:20:6.8|
COC(=O)C1C2C[C@H](O)C(CC1c1ccc3ccccc3c1)N2C |TLB:8:7:22:4.11.10,23:22:4.11.10:6.7,THB:12:11:22:6.7,2:4:22:6.7|
COC(=O)C1C2[C@H](O)CC(CC1c1ccc3ccccc3c1)N2C |TLB:23:22:4.11.10:6.8,12:11:22:6.8,THB:7:6:22:4.11.10,2:4:22:6.8|
CCOC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:22:21:5.12.11:7.9,13:12:21:7.9,THB:8:7:21:5.12.11,3:5:21:7.9|
COC(=O)C1C2[C@H](O)C[C@H](CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:21:20:4.11.10:6.8,THB:7:6:20:4.11.10,2:4:20:6.8,12:11:20:6.8|
COC(=O)C1=C(CC2CCC1N2C)c1ccccc1 |t:4,THB:2:4:11:9.8,13:5:11:9.8,12:11:4.5.6:9.8|
COC(=O)C1C2C[C@H](O)C(CC1c1ccc(F)cc1)N2C |TLB:20:19:4.11.10:6.7,8:7:19:4.11.10,THB:2:4:19:6.7,12:11:19:6.7|
COC(=O)C1C2C[C@H](O)C(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:8:7:28:4.11.10,29:28:4.11.10:6.7,THB:12:11:28:6.7,2:4:28:6.7|
COC(=O)C1=C(CC2C[C@@H](O)C1N2C)c1ccc(F)cc1 |t:4,THB:2:4:12:9.8,14:5:12:9.8,10:9:12:4.5.6,13:12:4.5.6:9.8|
COC(=O)C1C2[C@H](O)CC(CC1c1ccccc1)N2C |TLB:19:18:4.11.10:6.8,THB:2:4:18:6.8,12:11:18:6.8,7:6:18:4.11.10|
COC(=O)C1=C(CC2[C@@H](O)CC1N2C)c1ccc(Cl)c(Cl)c1 |t:4,TLB:9:8:12:4.5.6,THB:13:12:4.5.6:10.8,14:5:12:10.8,2:4:12:10.8|
COC(=O)C1C2[C@H](O)CC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:4.11.10:6.8,THB:7:6:28:4.11.10,12:11:28:6.8,2:4:28:6.8|
COC(=O)C1=C(CC2[C@@H](O)CC1N2C)c1ccccc1 |t:4,TLB:9:8:12:4.5.6,THB:2:4:12:10.8,14:5:12:10.8,13:12:4.5.6:10.8|
COC(=O)C1=C(CC2[C@@H](O)CC1N2C)c1ccc2ccccc2c1 |t:4,TLB:9:8:12:4.5.6,THB:13:12:4.5.6:10.8,14:5:12:10.8,2:4:12:10.8|
Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O
Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
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
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
O=C1NCN(c2ccccc2)C11CCN(Cc2cccc(Oc3ccccc3)c2)CC1
Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
O=C(OCc1cccc(Oc2ccccc2)c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
CN1C2CCC1CC(CCNC(c1ccccc1)c1ccccc1)C2 |TLB:0:1:3.4:24.6.7,THB:8:7:1:3.4|
C(CN1C2CCC1CC(CCOC(c1ccccc1)c1ccccc1)C2)Cc1ccccc1 |THB:9:8:2:4.5|
CN1C2CCC1CC(C2)=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|
CN1C2CCC1CC(CCOC(c1ccccc1)c1ccccc1)C2 |THB:8:7:1:3.4|
CN1C2CCC1CC(C2)=CCOC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
CN1C2CCC1CC(CC(=O)NC(c1ccccc1)c1ccccc1)C2 |TLB:0:1:7.25.6:3.4,THB:8:7:1:3.4|
Fc1ccc(cc1)C(OCCC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:10:11:18:14.15|
CN1C2CCC1CC(CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |TLB:0:1:3.4:26.6.7,THB:8:7:1:3.4|
CN1C2CCC1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |TLB:0:1:7.27.6:3.4,THB:8:7:1:3.4|
CN1C2CCC1CC(C2)=CC(=O)NC(c1ccccc1)c1ccccc1 |TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|
CN1C2CCC1CC(C2)=CCOC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2CCCCc1ccc(cc1)N=C=S |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccc(cc1)N=C=S)c1ccc(F)cc1 |TLB:8:9:16:12.13|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N=[N+]=[N-])c(I)c1 |TLB:16:6:1:4.3,THB:0:1:6.7.8:4.3,9:7:1:4.3|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCc1ccc(N=[N+]=[N-])c(I)c1)c1ccc(F)cc1 |TLB:8:9:16:12.13,THB:17:16:9.10.15:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccc(N=[N+]=[N-])c(I)c1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCc1ccc(cc1)N=C=S)c1ccc(F)cc1 |TLB:8:9:16:12.13,THB:17:16:9.10.15:12.13|
COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2CCCCc1ccc(N=[N+]=[N-])c(I)c1 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(Cl)cc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Clc1cccc(c1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(Cl)cc1 |TLB:8:9:16:12.13|
CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(Cl)cc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Clc1cccc(c1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.10.15:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Clc1cccc(c1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
CN(CCC1CCN(Cc2ccc(F)cc2)CC1)C(c1ccccc1)c1ccccc1
Fc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
CC(NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
CN(CC(c1ccccc1)c1ccccc1)CC1CCN(Cc2ccc(F)cc2)CC1
Fc1ccc(cc1)C(NCC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1F
CC(OCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
Fc1ccc(CN2CCC(CNOC(c3ccccc3)c3ccccc3)CC2)cc1
C(CC1CCN(Cc2ccccc2)CC1)NC(c1ccccc1)c1ccccc1
CS(=O)(=O)Nc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1F
O=C(Cc1ccccc1)N1CCC(CCOC(c2ccccc2)c2ccccc2)CC1
COC(=O)C1CN(CC[C@@H]1c1ccc(Cl)cc1)C(C)=O
COC(=O)C1CN(Cc2ccc(O)cc2)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(CCCCl)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(CC[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
COC(=O)C1CNCC[C@@H]1c1ccc(Cl)cc1
CCOC(=O)CCN1CC[C@@H](C(C1)C(=O)OC)c1ccc(Cl)cc1
OCC1CNCC[C@@H]1c1ccc(Cl)cc1
Cc1noc(n1)C1CNCC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H](C(C1)c1nc(C)no1)c1ccc(Cl)cc1
CN1CC[C@@H](C(CO)C1)c1ccc(Cl)cc1
COC(=O)C1CN(CCC(c2ccccc2)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(CC[C@@H]1c1ccc(Cl)cc1)C(C)C
COC(=O)C1CN(CCCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(CCCF)CC[C@@H]1c1ccc(Cl)cc1
COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6|
OC1(N2CCN=C2c2ccc3OCOc3c12)c1ccc(Cl)cc1 |c:5|
OC1(N2CCN=C2c2ccccc12)c1ccc2OCOc2c1 |c:5|
COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1 |t:7|
OC1(N2CCN=C2c2c1cccc2-c1ccccc1)c1ccc(Cl)cc1 |c:5|
COc1ccc(cc1)C1(O)N2CCN=C2c2ccccc12 |c:14|
COc1cccc2c1C1=NCCN1C2(O)c1ccc(Cl)cc1 |t:9|
OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5|
OC1(N2CCCN=C2c2ccccc12)c1cccc(OCC=C)c1 |c:6|
CC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6|
OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1 |c:6|
COC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6|
Clc1ccc(cc1)C1N2CCN=C2c2ccccc12 |c:12|
Cc1cc2C3=NCCN3C(O)(c2c(C)c1)c1ccc(Cl)cc1 |t:4|
OC1(N2CCN=C2c2ccccc12)c1ccc2OCCOc2c1 |c:5|
Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(F)cn1
CC(=C)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
CC#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
COC(=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
COc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
C(CC1CCN(Cc2ccc(cc2)-c2cccc3ccccc23)CC1)OC(c1ccccc1)c1ccccc1
C(CC1CCN(Cc2ccc(cc2)-c2ccc3ccccc3c2)CC1)OC(c1ccccc1)c1ccccc1
C=Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Oc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
CC(C)c1ccc(CN2CCCC(CCOC(c3ccccc3)c3ccccc3)C2)cc1
Oc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
CN1[C@@H]2CCC1C(CCCO)C(C2)c1ccc(C)cc1 |TLB:13:11:1:4.3,7:6:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1[C@@H]2CCC1C(Cc1ccc(C)cc1)C(C2)c1ccc(C)cc1 |TLB:17:15:1:4.3,7:6:1:4.3,0:1:6.15.16:4.3|
COC(=O)\C=C\C1C2CC[C@H](CC1c1ccc(C)cc1)N2C |THB:5:6:20:8.9,13:12:20:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cc2ccccc2c2ccccc12 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CCC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:2:4:11.12:8.9|
O=C(OCC1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1)c1ccccc1 |TLB:6:5:11.12:8.9,THB:3:4:11.12:8.9|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25|
CC(C)OC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:8:7:13.14:10.11,THB:13:12:15:8.9,4:6:15:8.9,4:6:13.14:10.11,14:15:6.12.11:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccc2ccccc12 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)OC)cc1 |TLB:30:27:22:25.24,30:27:20.21:23.29,6:5:11.12:8.9,20:28:22:25.24,THB:2:4:13:6.7,2:4:11.12:8.9,25:26:20.21:23.29,11:10:13:6.7,12:13:4.10.9:6.7,21:22:27.28.29:25.24|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc(I)cc1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
Clc1ccc(\C=C2/CN3C4CCC3C(COC(=O)CCCCCCCCCC(=O)OCC3C5CCC6CC3\C(CN56)=C\c3ccc(Cl)c(Cl)c3)C2C4)cc1Cl |TLB:14:13:6.7:9.51,33:32:38.39:35.36,THB:30:31:40:33.34,30:31:38.39:35.36,38:37:40:33.34,11:12:6.7:9.51,39:40:31.37.36:33.34|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccc(Cl)c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
Clc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccc(I)cc3)C2C4)cc1Cl |TLB:14:13:6.7:9.26,THB:11:12:6.7:9.26|
Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1Br |TLB:13:12:5.6:8.24,THB:10:11:5.6:8.24|
Clc1cccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)c1 |TLB:15:14:7.8:10.26,THB:12:13:7.8:10.26|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cc(Cl)cc(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CN(C)C(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:6:12.13:9.10,THB:12:11:14:7.8,3:5:14:7.8,3:5:12.13:9.10,13:14:5.11.10:7.8|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccccc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Brc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25|
Clc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccc5ccccc5c3)C2C4)cc1Cl |TLB:14:13:6.7:9.29,THB:11:12:6.7:9.29|
Clc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1Cl |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccc(Cl)c1Cl |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(F)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Br)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(OC)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(F)c(F)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1I |TLB:13:12:5.6:8.24,THB:10:11:5.6:8.24|
Cc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1Cl |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25|
Clc1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)Oc2ccccc2)cc1Cl |TLB:6:14:8:11.10,16:13:8:11.10,16:13:6.7:9.15,THB:7:8:13.14.15:11.10,11:12:6.7:9.15|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)cc1Cl |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Clc1ccc(\C=C2/CN3C4CCC3C(COc3ccc(I)cc3)C2C4)cc1Cl |TLB:14:13:6.7:9.24,THB:11:12:6.7:9.24|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc2ccc3cccc4ccc1c2c34 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CON(C)C(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:8:7:13.14:10.11,THB:13:12:15:8.9,4:6:15:8.9,4:6:13.14:10.11,14:15:6.12.11:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccc(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CNC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Br)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Clc1ccc(\C=C2/CN3C4CCC3C(\C=C/c3ccccc3)C2C4)cc1Cl |TLB:14:13:6.7:9.23,THB:11:12:6.7:9.23|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7,11:10:20:6.7|
CC(C)OC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9,21:20:6.12.11:8.9|
CN(C)C(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C |THB:3:5:19:7.8,12:11:19:7.8,20:19:5.11.10:7.8|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N)cc1 |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3,THB:0:1:7.6.8:4.3|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)c(F)c1)N2 |THB:11:10:19:6.7,2:4:19:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C |THB:20:19:4.10.9:6.7,11:10:19:6.7,2:4:19:6.7|
CCc1ccc(cc1)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
COC(=O)C1C2CC[C@H](C[C@@H]1c1cccc(I)c1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
CCc1ccc(cc1I)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(C)s2)C1CC3 |THB:2:4:12.11:9.27.8.28,6:5:12.11:9.27.8.28|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(Cl)c(Cl)c2)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(cc2)C#N)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-n2cccc2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2cccs2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1CC3 |THB:2:4:12.11:9.31.8.32,6:5:12.11:9.31.8.32|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2Cl)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(C)cc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccsc2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(s2)-c2ccc(OC)cc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(I)cc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(OC)cc2)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccco2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2cc(Cl)c(c(Cl)c2)-c2ccccc2)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(cc2)N(C)C)C1CC3 |THB:2:4:12.11:9.30.8.31,6:5:12.11:9.30.8.31|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(s2)-c2ccccc2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2cc(Cl)cc(Cl)c2)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2cccc(Cl)c2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
CC(=O)OCC1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccccc2)C1CC3 |THB:4:5:13.12:10.28.9.29,7:6:13.12:10.28.9.29|
Clc1ccc(cc1Cl)-c1ccc(\C=C2/CN3CC4CCC3C(COC(=O)c3ccccc3)C2CC4)cc1Cl |THB:19:20:13.14:16.33.17.34,22:21:13.14:16.33.17.34|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(c(Cl)c2)-c2ccccc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
Fc1ccc(CCNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1
OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3
C[C@@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1C
C[C@@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1CCCc1ccccc1
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(CCCn2c3ccc(cc3c3cc(ccc23)[N+]([O-])=O)[N+]([O-])=O)C[C@@H](C)N1
Fc1ccc(cc1)N(CCCN1CCNCC1)c1ccc(F)cc1
CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
C[C@@H]1CN(CCCn2c3ccccc3c3cc(N)ccc23)C[C@@H](C)N1
CCCN1CCC[C@H](C1)c1cccc(O)c1
CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:8.9,THB:4:6:29:8.9|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:12:11:20:7.8,THB:3:5:20:7.8|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)c(Cl)c1)C(=O)OCc1ccccc1 |TLB:17:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccccc1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|
CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |TLB:13:12:21:8.9,THB:4:6:21:8.9|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccc(N)c(I)c1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)c(Cl)c1)C(=O)OCCc1ccccc1 |TLB:17:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccc(N=[N+]=[N-])c(I)c1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:12:11:28:7.8,THB:3:5:28:7.8|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccc(N)cc1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)c(Cl)c1)C(=O)OCCc1ccc(N=[N+]=[N-])c(I)c1 |TLB:17:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccc(cc1)N=C=S |TLB:25:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccc(cc1)[N+]([O-])=O |TLB:25:6:1:4.3,THB:9:7:1:4.3|
Fc1cccc(c1)C(Oc1ccccc1F)C1CCNCC1
Fc1ccccc1OC(C1CCNCC1)c1ccccc1
N#Cc1cccc(OC(C2CCNCC2)c2ccccc2)c1
CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
Brc1ccc(OC(C2CCNCC2)c2ccccc2)cc1
[O-][N+](=O)c1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Fc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
Fc1ccc(OC(C2CCNCC2)c2ccccc2)cc1
CCCN(CCC)C1CCc2cccc(O)c2C1
Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Fc1cccc(OC(C2CCNCC2)c2cccc(F)c2)c1
FC(F)(F)c1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Fc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)=CC2)cc1 |c:27|
O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1
CCC(=O)O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
O[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Fc1ccc(CN2CC[C@@H](CCOC(c3ccccc3)c3ccccc3)C(=O)C2)cc1
C1CC2CNCC1C2c1ccccc1 |THB:8:7:0.1:4.3.5|
OC1(C2CCC1CN(Cc1ccccc1)C2)c1ccccc1 |TLB:16:1:7.6.15:3.4,THB:8:7:1:3.4,0:1:7.6.15:3.4|
C(N1CC2CCC(C1)C2c1ccccc1)c1ccccc1 |TLB:0:1:8:4.5,THB:9:8:1.7.2:4.5|
CN1CC2CCC(C1)C2c1ccccc1 |TLB:0:1:8:4.5,THB:9:8:1.7.2:4.5|
Clc1ccc(cc1)C1C2CCC1CNC2 |THB:4:7:9.10:13.12.14|
OC1C2CCC1CN(Cc1ccccc1)C2 |THB:8:7:1:3.4,0:1:7.6.15:3.4|
OC1(C2CCC1CN(Cc1ccccc1)C2)c1ccc(Cl)cc1 |TLB:16:1:7.15.6:3.4,THB:8:7:1:3.4,0:1:7.15.6:3.4|
C(N1CC2CCC(C2)C1)c1ccccc1 |TLB:0:1:7:4.5|
Clc1ccc(cc1)C1C2CCC1CN(Cc1ccccc1)C2 |THB:4:7:13.21.12:9.10,14:13:7:9.10|
CN1CC2CCC(C1)C2c1ccc(Cl)cc1 |TLB:0:1:8:4.5,THB:9:8:1.2.7:4.5|
BrC1C2CCC1CN(Cc1ccccc1)C2 |TLB:0:1:7.6.15:3.4,THB:8:7:1:3.4|
C(N1CC2CCC(C1)C2OC(c1ccccc1)c1ccccc1)c1ccccc1 |TLB:0:1:8:4.5,THB:9:8:1.7.2:4.5|
OC1(C2CCC1CNC2)c1ccccc1 |TLB:9:1:3.4:7.8.6,THB:0:1:3.4:7.8.6|
CN1CC2CCC(C1)C2(O)c1ccccc1 |TLB:10:8:1.7.2:4.5,0:1:8:4.5,THB:9:8:1.7.2:4.5|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1cccnc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCCN1CCOCC1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1cccs1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
CN(C)CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:15:13:7:9.10|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCOc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
OCCOCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:12:6:8.9|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
NCCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:13:11:5:7.8|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(Cl)cc1 |THB:8:9:16:12.13|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(Cl)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CC(C)c1cc(on1)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:5:8:22:10.11,15:14:22:10.11|
COc1ccc(cc1)-c1cc(on1)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |THB:10:13:27:15.16,20:19:27:15.16|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1ccno1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)C(C)(C)C |TLB:16:6:1:4.3,9:7:1:4.3|
CCc1cc(on1)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:7:21:9.10,14:13:21:9.10|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(F)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(F)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1ccno1 |TLB:16:6:1:4.3,9:7:1:4.3|
CCc1cc(on1)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |THB:4:7:21:9.10,14:13:21:9.10|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)C(C)(C)C |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CC(C)c1cc(on1)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |THB:5:8:22:10.11,15:14:22:10.11|
COc1ccc(cc1)-c1cc(on1)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:10:13:27:15.16,20:19:27:15.16|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(F)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
CN1C2CCC1C(CCCOC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(F)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(F)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
CN1C2CCC1C(CCCOC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCc1ccccc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCC(O)=O)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COC(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCCF)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CN(Cc1ccccc1)C(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CCNC(=O)OC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(O)=O)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](Cc2noc(n2)-c2ccc3OCOc3c2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1)c1ccc(Cl)cc1 |TLB:20:11:18:15.14.16,THB:16:15:12:17.19.18,16:17:12:15.20.14,20:15:11.19.12:18|
CNC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)CC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CC(O)=O)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)OC(C)(C)C)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COCC=C)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCCO)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CC(=O)OCCCc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCC(=O)NC23CC4CC(CC(C4)C2)C3)C1)c1ccc(Cl)cc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,12:11:13.14.18:16,12:13:11.19.20:16|
CN1CC[C@@H]([C@@H](CC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H](C(C1)C(=O)N1CCCC1)c1ccc(Cl)cc1
CN(C)C(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN(C)C(=O)C1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CCOC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)\C=C\[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1)c1ccc(Cl)cc1 |THB:15:14:11:16.18.17,15:16:11:14.19.13,18:10:13:16.17.15,18:16:10.19.11:13|
CN1CC[C@@H](C(C1)C(=O)Oc1ccccc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCC(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1
COC(=O)C1=C(CC2CCC1O2)c1ccc(I)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1=C(CC2CCC1O2)c1ccc2ccccc2c1 |t:4,THB:12:5:11:9.8,2:4:11:9.8|
COC(=O)C1=C(CC2CCC1O2)c1ccccc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1=C(CC2CCC1O2)c1ccc(F)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1=C(CC2CCC1O2)c1ccc(Cl)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1=C(CC2CCC1O2)c1ccc(Br)cc1 |t:4,THB:2:4:11:9.8,12:5:11:9.8|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Cl)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(N)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cscc1Br)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Br)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(I)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(c(s1)[N+]([O-])=O)[N+]([O-])=O)N2C |TLB:29:28:4.10.9:6.7,THB:2:4:28:6.7,11:10:28:6.7|
COc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1
Clc1ccc(cc1Cl)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:8:12:16.15.14,THB:17:16:12:8.9.10|
Clc1ccc(cc1)S(=O)(=O)Nc1ccc(CN2CCN3CC2CCC3C(c2ccccc2)c2ccccc2)cc1 |TLB:15:16:20:24.23.22,THB:25:24:20:16.18.17|
Fc1ccc(CCN2CCN3CC2CCC3C(c2ccccc2)c2ccccc2)cc1 |TLB:6:7:11:15.14.13,THB:16:15:11:7.9.8|
CN1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:0:1:5:9.8.7,THB:10:9:5:1.3.2|
Nc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:7:11:15.14.13,THB:16:15:11:7.8.9|
Fc1ccc(CNC2CCC(C(c3ccccc3)c3ccccc3)N(Cc3ccc(F)cc3)C2)cc1
Oc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:7:11:15.14.13,THB:16:15:11:7.8.9|
CN(Cc1ccc(F)cc1)C1CCC(C(c2ccccc2)c2ccccc2)N(C)C1
N#Cc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1
CCOc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:6:9:13:17.16.15,THB:18:17:13:9.10.11|
Fc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:7:11:15.14.13,THB:16:15:11:7.8.9|
C1CC(C(c2ccccc2)c2ccccc2)N2CCN(C1C2)c1ccc2ccccc2c1 |THB:22:19:21:2.1.0,3:2:21:19.18.17|
COc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:5:8:12:16.15.14,THB:17:16:12:8.9.10|
N#Cc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:5:8:12:16.15.14,THB:17:16:12:8.9.10|
C1CC(C(c2ccccc2)c2ccccc2)N2CCN(C1C2)c1cccc2ccccc12 |THB:22:19:21:2.1.0,3:2:21:19.18.17|
CN1CCC(C(CO)C1)c1ccc(Cl)cc1
CN(C)C(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
CC(C)NC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
CN(C)C(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CI)C1)c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CNC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
CC(C)NC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CCOC(C)=O)C1)c1ccc(Cl)cc1
NC(=O)CSCC1CNCCC1c1ccc(Cl)cc1
CN1CCC(C(CS(=O)Cc2nc(C)no2)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCCO)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
NC(=O)CS(=O)CC1CNCCC1c1ccc(Cl)cc1
COC(=O)CSCC1CNCCC1c1ccc(Cl)cc1
COC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
COCCS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
COCCSCC1CN(C)CCC1c1ccc(Cl)cc1
COC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CSCCOC(C)=O)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCC(=O)NO)C1)c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CC(N)=O)C1)c1ccc(Cl)cc1
CNC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CSCC(N)=O)C1)c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CCO)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCc2nc(C)no2)C1)c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CC(=O)NO)C1)c1ccc(Cl)cc1
COC(=O)C1C2CCC(CC1c1cc(F)cc(F)c1)N2 |THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)c(F)c1)N2 |THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1cccc(F)c1)N2 |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)c(F)c1)N2 |THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)c(F)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)c(C)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)c(C)c1)N2 |THB:2:4:19:6.7|
CCOC(=O)C(C1CCCCN1)c1ccccc1
CN1C2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C1CCC2 |THB:5:4:1:22.24.23|
COCO[C@@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:11:9.7.8,13:8:11:5.4|
CO[C@@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2|
COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:13:8:11:5.4,3:4:11:9.7.8|
CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2|
CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C1CCC2 |TLB:5:4:1:22.24.23|
CN1C2C[C@@H](O)C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:5:4:1:7.9.8,10:8:1:3.4|
COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:13:8:11:5.4,3:4:11:9.7.8|
CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:5:4:1:7.9.8,10:8:1:3.4|
CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccccc1)c1ccccc1 |THB:10:8:1:3.4,5:4:1:7.9.8|
CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:11:6:9:3.2,1:2:9:7.5.6|
COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:11:9.7.8,13:8:11:5.4|
CO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:1:2:9:7.5.6,11:6:9:3.2|
CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:10:8:1:3.4,5:4:1:7.9.8|
Fc1ccc(CN2CCC(CC2)OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
CN1CCC(CC1)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CCC(CC1)OC(c1ccccc1)c1ccc(F)cc1
CN1CCC(CC1)OC(c1ccc(F)cc1)c1ccc(F)cc1
CN1CCC(CC1)OC(c1ccccc1)c1ccccc1
CN1CCC(CC1)OC(c1ccccc1)c1cccc(C)c1
CN1CCC(CC1)OC(c1ccccc1)c1ccc(Cl)cc1
CCCCN1CCC(CC1)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CC(OC1CCN(C)CC1)c1ccc(F)cc1
CN(C)CC1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,TLB:3:4:6.7:10.9,THB:12:11:6.7:10.9,(3.57,-5.83,;2.24,-5.06,;.91,-5.8,;2.26,-3.52,;2.96,-2.15,;5,-1.33,;6.69,-1.86,;6.45,-.35,;4.54,.11,;4.65,1.62,;5.22,.88,;2.61,-.71,;1.26,.06,;-.06,-.71,;-1.39,.06,;-1.39,1.61,;-.06,2.37,;-.05,3.91,;1.26,1.61,)|
CN1C2CCC1CC(C2)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:0:1:3.4:6.8.7,THB:9:7:3.4:1|
CN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:9:7:3.4:1,0:1:3.4:6.8.7|
CN1C2CCC1CC(C2)NC(c1ccccc1)c1ccc(Cl)cc1 |TLB:0:1:3.4:6.8.7,THB:9:7:3.4:1|
Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Fc1ccc(cc1)C(NC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:8:9:12.13:16|
Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
CN(C(c1ccc(F)cc1)c1ccc(F)cc1)C1CC2CCC(C1)N2C |TLB:1:17:20.21:24,25:24:20.21:23.18.17|
CN1C2CCC1CC(C2)NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 |TLB:0:1:3.4:6.8.7,THB:9:7:3.4:1|
Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:8:9:12.13:16|
CCCC(N1CCCC1)C(=O)c1cccc(C)c1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(F)(F)F
CCC(CC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1
CCCC(N1CCCCC1)C(=O)c1ccc(Cl)c(Cl)c1
CCCC(N1CCCC1)C(=O)c1ccc(O)c(O)c1
CCC(N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C(=O)C(CC=C)N1CCCC1
CCCC(C(O)c1ccc(C)cc1)N1CCCC1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)-c1cccn1C
CCCC(CN1CCCC1)C(=O)c1ccc(C)cc1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)[N+]([O-])=O
CCCC(N1CCCC1)C(=O)c1ccc(cc1)-c1ccco1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C#CC
CCC[C@@H](N1CCCC1)C(=O)c1ccc(C)cc1
CCCC(N1CCCC1)C(=O)c1ccc(OC)cc1
Cc1ccc(cc1)C(=O)C(CC=C)N1CCCC1
CCCC(N1CCCC1)C(=O)c1ccc(I)cc1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(=O)OC
CC(C)CC(N1CCCC1)C(=O)c1ccc(C)cc1
CCCC(N1CCCC1)C(=O)c1ccc(CO)cc1
CCCC(N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
CCCC(N1CCCC1)C(=O)c1ccc(O)cc1
CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1
CCC[C@H](N1CCCC1)C(=O)c1ccc(C)cc1
CCCC(N1CCCC1)C(=O)c1cccc(I)c1
CCCC(N1CCCC1)C(=O)c1ccccc1
CCCC(CN1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C#N
CCCC(N1CCCC1)C(=O)c1ccc2ccccc2c1
CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)-c1cccs1
CCCC(N1CCCC1)C(=O)c1ccc(OC)c(OC)c1
CCCC(N1CCCC1)C(=O)c1ccccc1C
CCCC(N1CCCC1)C(=O)c1ccc(Br)cc1
CCCC(N1CCCC1)C(=O)c1ccc(F)cc1
CCC(CC(=O)c1ccc(C)cc1)N1CCCC1
[O-][N+](=O)c1ccc(cc1)-c1nnnn1CCN1CCC(Cc2ccccc2)CC1
C(Cn1nnnc1-c1cccc2ccccc12)N1CCC(Cc2ccccc2)CC1
C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1-c1ccccc1
CC(=O)c1cccc(c1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)c1ccc(cc1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
COc1ccc(cc1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Clc1ccccc1-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Clc1cccc(c1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Brc1ccccc1-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Brc1cccc(c1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Clc1cccc(-c2nnnn2CCCN2CCC(Cc3ccccc3)CC2)c1Cl
CC(=O)c1cccc(c1)-c1nnnn1CCN1CCC(Cc2ccccc2)CC1
FC(F)(F)c1cccc(c1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Fc1ccc(cc1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
Clc1ccc(cc1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
C(CN1CCC(Cc2ccccc2)CC1)Cn1nnnc1-c1cccc2ccccc12
CN1C2CCC1C1COC(=O)CCCCCCCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:27:30:1:3.4|
CN1C2CCC1C1COC(=O)CCC3(CCC(=O)Nc4ccc(cc4)C1C2)c1ccccc1-c1ccccc31 |TLB:7:6:1:3.4,THB:22:25:1:3.4|
CN1C2CCC1C1COC(=O)CCSCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:22:25:1:3.4|
CN1C2CCC1C1COC(=O)Cc3ccc(CC(=O)Nc4ccc(cc4)C1C2)cc3 |TLB:7:6:1:3.4,THB:23:26:1:3.4|
CN1C2CCC1C1COC(=O)CCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:21:24:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:25:28:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:22:25:1:3.4|
CN1C2CCC1C1COC(=O)CCC(=O)CCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:23:26:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCCCCCN(C)c3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:25:28:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCCCCCCCN(C)c3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:27:30:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:24:27:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCCCCC(=O)N(C)c3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:26:29:1:3.4|
CN1C2CCC1C1COC(=O)CCCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:23:26:1:3.4|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)[C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)c1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
CC(O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)OCc1ccccc1)C(=O)NCC(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)[C@@H](C)O)C(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)OCc1ccccc1)C(=O)NCC(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)c(Cc2ccccc2)c1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)[C@@H](C)O)C(O)=O
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)NCC(O)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
CCOc1ccccc1CC(N1CCNCC1)c1ccccc1
Clc1ccc(CC(N2CCNCC2)c2ccccc2)c(Cl)c1
Fc1cccc(c1)C(Cc1ccccc1Cl)N1CCNCC1
Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Fc1ccc(cc1)C(Cc1ccccc1Cl)N1CCNCC1
Clc1ccc(Cl)c(CC(N2CCNCC2)c2ccccc2)c1
Clc1ccccc1CC(N1CCNCC1)c1cccnc1
Clc1cccc(Cl)c1CC(N1CCNCC1)c1ccccc1
C(Cc1ccccc1)C(Cc1ccccc1)N1CCNCC1
CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1
CCOc1ccccc1C[C@H](N1CCNCC1)c1ccccc1
CCOc1ccccc1CC(N1CCNCC1)c1cccnc1
COc1ccccc1CC(N1CCNCC1)c1ccccc1
FC(F)(F)COc1ccccc1CC(N1CCNCC1)c1ccccc1
Oc1cccc(CC(N2CCNCC2)c2ccccc2)c1
CCc1ccccc1CC(N1CCNCC1)c1ccccc1
C(C(N1CCNCC1)c1ccccc1)c1ccccc1
FC(F)(F)c1ccccc1CC(N1CCNCC1)c1ccccc1
COc1cccc(CC(N2CCNCC2)c2ccccc2)c1
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CC=C |TLB:12:11:28:8.7,THB:3:5:28:8.7|
CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(cc1)[N+]([O-])=O)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:25:23:1:3.4|
CN1C2CCC1[C@@H](C=C)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:11:9:1:3.4|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2 |TLB:12:11:28:8.7,THB:3:5:28:8.7|
COC(=O)\C=C\[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8|
CCCCN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCC |TLB:28:9:4:6.7,THB:12:10:4:6.7|
COC(=O)C1C2CCC(CC1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:11:10:27:7.6,THB:2:4:27:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:11:10:27:7.6,THB:2:4:27:7.6|
CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:23:21:1:3.4|
COC(=O)CC[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:12:11:28:8.7,THB:3:5:28:8.7|
CCOC(=O)C1C2CCC(CC1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:12:11:28:8.7,THB:3:5:28:8.7|
CN1C2CCC1[C@@H](CO)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:11:9:1:3.4|
COc1ccc(cc1)C(CC(C)C)C1CCCCN1
CC(C)CCC(C1CCCCN1)c1ccc(Cl)cc1
COC(=O)C(C1CCCCN1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(CC1CCCC1)C1CCCCN1
CC(C)CC(C1CCCCN1)c1ccc(cc1)C(C)C
CCCC(C1CCCCN1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(CCc1ccccc1)C1CCCCN1
CCC(C1CCCCN1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(CCCc1ccccc1)C1CCCCN1
CCC(CC)C(C1CCCCN1)c1ccc(Cl)cc1
COc1cccc(c1)C(CC(C)C)C1CCCCN1
Clc1ccc(cc1)C(CC1CCCCC1)C1CCCCN1
CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
CCCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
CC(C)CC(C1CCCCN1)c1cccc(Cl)c1
Clc1ccc(cc1)C(C1CCCC1)C1CCCCN1
Clc1ccc(cc1)C(Cc1ccccc1)C1CCCCN1
CC(=O)C(C1CCCCN1)c1ccccc1
CC(C)(C)CC(C1CCCCN1)c1ccc(Cl)cc1
CC(C)C(C1CCCCN1)c1ccc(Cl)cc1
CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
CC(C1CCCCN1)c1ccc(Cl)cc1
CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
CC(C)CC(C1CCCCN1C)c1ccc(Cl)c(Cl)c1
COC(=O)C(C1CCCCN1)c1ccc(Cl)c(Cl)c1
CCCCC(C1CCCCN1)c1ccc(Cl)cc1
CCCCCC(C1CCCCN1)c1ccc(Cl)cc1
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(I)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@H]1[C@H]2CCC(C[C@H]1c1ccc(Cl)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(F)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@H]1[C@H]2CCC(C[C@H]1c1ccc(C)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Br)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(Cl)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(C)cc1)N2C |r,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccccc1)N2C |r,THB:2:4:17:6.7|
CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccccc1 |r,TLB:15:6:4.3:1,THB:9:7:4.3:1|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccc(F)cc1 |r,TLB:16:6:4.3:1,THB:9:7:4.3:1|
COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@H]1c1ccc(C)cc1)N2C |r,TLB:17:16:12.13:24,THB:5:10:12.13:24|
CN1C2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccc(C)cc1 |r,TLB:16:6:4.3:1,THB:9:7:4.3:1|
CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccc(C)cc1 |r,TLB:15:6:4.3:1,THB:9:7:4.3:1|
COc1ccc(cc1)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C |r,TLB:15:14:10.11:22,THB:5:8:10.11:22|
COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C |r,TLB:17:16:12.13:24,THB:5:10:12.13:24|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccccc1 |r,TLB:16:6:4.3:1,THB:9:7:4.3:1|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|
CC[C@@]1(O)CCN2CCCC[C@@H]2[C@H]1c1ccccc1
CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
O[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)[C@@H]1[C@H]2CCCCN2CCC1=O
O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2C\C=C\c1cccs1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14,18:17:11.12.16:14|
Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2C\C=C\c1ccccc1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14,18:17:11.12.16:14|
Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2C\C=C\c1ccc2ccccc2c1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14,18:17:11.12.16:14|
Cc1ccccc1\C=C\CN1C2CC1CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |w:11.38,13.15,TLB:9:10:15.34.14:12,THB:16:15:10:12|
Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2Cc1cc2ccccc2o1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14|
Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2CC1=Cc2ccccc2C1)c1ccc(F)cc1 |w:13.13,15.16,t:22,TLB:10:11:17:14|
Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2C\C=C\c1ccco1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14,18:17:11.12.16:14|
Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2Cc1cc2ccccc2s1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14|
Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2Cc1cc2ccccc2[nH]1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14|
C\C=C\C1=C(CCCC1)c1ccc(Cl)c(Cl)c1 |t:3|
COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(cc1)C(C)(C)C
COC(=O)C1=C(CCCC1)c1ccc(cc1)C(F)(F)F |t:4|
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)c(Cl)c1
COC(=O)C1=C(CCC1)c1cccc(N)c1 |t:4|
COC(=O)[C@@H]1CCCC[C@@H]1c1cccc(c1)C(F)(F)F
COC(=O)C1=C(CCCC1)c1cccc(c1)[N+]([O-])=O |t:4|
COC(=O)C1=C(CCCCC1)c1ccc(Cl)c(Cl)c1 |t:4|
COC(=O)C1=C(CCC1)c1ccc(Cl)cc1 |t:4|
COC(=O)C1=C(CCCC1)c1cccc(Cl)c1 |t:4|
COC(=O)C1=C(CCCC1)c1ccc(Cl)cc1 |t:4|
COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7|
COC(=O)C1=C(CCCC1)c1ccc(O)cc1 |t:4|
COC(=O)C1=C(CCC1)c1ccc(OC(F)(F)F)cc1 |t:4|
COC(=O)C1=C(CCC1)c1ccc(OC)cc1 |t:4|
COC(=O)C1=C(CCCC1)c1ccc(cc1)-c1ccccc1 |t:4|
COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(OC(F)(F)F)cc1
COC(=O)C1=C(CCC1)c1ccc(cc1)C(C)(C)C |t:4|
COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccccc1
COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(cc1)C(C)(C)C
COC(=O)C1=C(CCCC1)c1ccccc1 |t:4|
CCOC(=O)C1=C(CCNC1)c1ccc2ccccc2c1 |t:5|
COC(=O)C1=C(CCCC1)c1ccc(cc1)C(C)(C)C |t:4|
COC(=O)C1=C(CCCC1)c1cccc(c1)C(F)(F)F |t:4|
COC(=O)C1=C(CCC1)c1ccc2ccccc2c1 |t:4|
COC(=O)C1=C(CCCCC1)c1cccc(Cl)c1 |t:4|
COC(=O)C1=C(CCCCC1)c1ccc(Cl)cc1 |t:4|
COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(cc1)-c1ccccc1
COC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1
COC(=O)C1=C(CCC1)c1cccc(Cl)c1 |t:4|
COC(=O)C1=C(CCCC1)c1ccc(Cl)c(Cl)c1 |t:4|
COC(=O)C1=C(CCCC1)c1ccc2ccccc2c1 |t:4|
COC(=O)C1=C(CCCC1)c1ccc(OC(F)(F)F)cc1 |t:4|
COC(=O)C1=C(CCC1)c1ccc(cc1)[N+]([O-])=O |t:4|
COC(=O)C1=C(CCCCC1)c1ccc(cc1)C(C)(C)C |t:4|
COC(=O)C1=C(CCCCC1)c1ccc2ccccc2c1 |t:4|
COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(cc1)C(F)(F)F
COC(=O)C1=C(CCC1)c1ccc(cc1)C(C)=O |t:4|
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccccc1
COC(=O)C1=C(CCCCC1)c1ccc(cc1)-c1ccccc1 |t:4|
CCOC(=O)C1=C(CCNC1)c1cccc(c1)[N+]([O-])=O |t:5|
COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(cc1)-c1ccccc1
CCOC(=O)C1=C(CCNC1)c1ccc(Cl)c(Cl)c1 |t:5|
COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(I)cc1
CN(C)CC1CC1c1cccc2cc(ccc12)C#N |w:4.3,6.7|
CN(C)CC1CC1c1ccc2ccc(cc2c1)C#N |w:6.7,4.3|
CN(C)CC1CC1c1n[nH]c2ccc(cc12)C#N |w:6.7,4.3|
CN(C)CC1CC1c1ccc2ccccc2c1 |w:4.3,6.7|
CN(C)CC1CC1c1cccc2ccccc12 |w:6.7,4.3|
CN(C)CC1CC1c1ccc2cc(ccc2c1)C#N |w:6.7,4.3|
CN(C)CC1CC1c1cccc2c(cccc12)C#N |w:4.3,6.7|
Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cncnc3)cn3ncnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cnc(F)c(F)c3)cn3ncnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cncc(c3)C#N)cn3ncnc23)nc1
COc1cc2CCN(C)C3Cc4ccc(O)c(O)c4-c(c1OC)c23 |w:9.9|
COc1cccc2CC3N(C)CCc4cc5OCOc5c(c34)-c12 |w:8.7|
CN1CCc2cc3OCOc3c-3c2C1Cc1cccc(O)c-31 |w:13.16|
COc1c(O)c2-c3ccccc3CC3N(C)CCc(c1OC)c23 |w:13.13|
CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccccc1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCCN(CC1)C1CC1
CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C
CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C1CC1
CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(Cl)cc1C
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)N1CCCS1(=O)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)C(=O)N(C)C
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)C(=O)NC
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)C(N)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)N1CCCS1(=O)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)C(=O)N(C)C
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)C(=O)NC
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)C(N)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(=O)N(C)C
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(=O)NC
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(N)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C#N
CNCc1ccccc1Oc1ccc(OC)cc1Cl
CNCc1ccccc1Oc1ccc(F)cc1Cl
CNCc1ccccc1Oc1ccc(Cl)cc1C
CNCc1ccccc1Oc1ccc(Cl)cc1Cl
CNCc1ccccc1Oc1ccc(Cl)cc1OC
COc1cc(Cl)ccc1Oc1ccccc1CN(C)C
CN(C)Cc1ccccc1Oc1ccc(F)cc1Cl
CN(C)Cc1ccccc1Oc1ccc(Cl)cc1F
CN(C)Cc1ccccc1Oc1ccc(Cl)cc1Cl
CN(C)Cc1ccccc1Oc1ccccc1Cl
FCCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
COC(=O)c1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
COc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
COC(=O)c1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
FCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
COc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
CSc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC(F)=C)c1ccc2OCCOc2c1
CN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC1CC1)c1ccc2OCCOc2c1
CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
CCN(CC1CC1)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc2C1)c1ccc2OCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N1CCc2sccc2C1)c1ccc2OCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N1CCOc2ccccc12)c1ccc2OCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc12)c1ccc2OCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccc2OCOc2c1
CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCOc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2CCCc2c1
CCCN(CC#CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC#C)c1ccc2OCCc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccc2OCCc2c1
CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2occc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cccc(F)c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
NCC1C(c2ccccc2)C1(C(=O)N1CCc2ccccc12)c1ccccc1 |w:10.25,3.3,2.1|
CCN(CC=C)C(=O)C1(C(CN)C1c1ccccc1)c1ccccc1 |w:9.9,8.7,12.13|
CCN(CC)C(=O)C1(C(CN)C1c1ccccc1)c1ccccc1 |w:8.8,7.6,11.12|
CCN(CC=C)C(=O)C1(C(CN)C1(C)C)c1ccccc1 |w:8.15,9.9|
CCN(CC)C(=O)C1(C(CN)C1(C)C)c1ccccc1 |w:7.14,8.8|
CCN(CC=C)C(=O)C1(CC1CN)c1ccccc1 |w:8.13,10.11|
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccc2OCCOc2c1
CCN(CC)C(=O)C1(CC1(C)CN)c1ccccc1 |w:7.13,9.10|
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC(F)=C)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)C1CC1)c1ccc2OCCOc2c1
CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
NC[C@@H]1C[C@@]1(C(=O)C1NCc2ccccc12)c1ccc2OCOc2c1 |w:7.7|
CC#CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCOc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCOc2c1
CC#CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1
CCCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2sccc2c1
CC1(C)C(CN)C1(C(=O)N1CCc2ccccc12)c1ccccc1 |w:3.3,6.20|
NCC1CC1(C(=O)N1CCc2ccccc12)c1ccccc1 |w:2.1,4.18|
NC[C@@H]1C[C@@]1(C(=O)N1C=COc2ccccc12)c1ccsc1 |c:9|
NC[C@@H]1C[C@@]1(C(=O)N1CCCc2ccccc12)c1ccsc1
NC[C@@H]1C[C@@]1(C(=O)C1NCc2ccccc12)c1ccsc1 |w:7.7|
NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc2C1)c1ccsc1
NC[C@@H]1C[C@@]1(C(=O)N1CCCC=C1)c1ccsc1 |c:12|
COCCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
CN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccsc1
CN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
COCCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
COCCN(C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1ccsc1
COCCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC#C)c1ccsc1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccsc1
CN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1 |r|
CCN(CC)C(=O)[C@]1(C[C@H]1CN(C)C)c1ccsc1
CCN(CC)C(=O)[C@]1(C[C@H]1CNC)c1ccsc1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1csc2ccccc12
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1nc2ccccc2s1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cc2cc(F)ccc2s1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cc2ccccc2s1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cccnc1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccn1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1sc(Cl)c(Cl)c1Cl
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cc(Cl)c(Cl)s1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc(Cl)s1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc(Br)s1
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
CCN(C=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
CCCN(CC)C(=O)C1(CC1CN)c1ccccc1 |w:8.13,10.11|
CCN(C)C(=O)C1(CC1CN)c1ccccc1 |w:6.11,8.9|
NCC1CC1(C(=O)NCc1ccccc1)c1ccccc1 |w:4.5,2.1|
NCC1CC1(C(=O)Nc1ccccc1)c1ccccc1 |w:4.5,2.1|
NCC1CC1(C(=O)NC1CC1)c1ccccc1 |w:4.12,2.1|
CCNC(=O)C1(CC1CN)c1ccccc1 |w:7.8,5.10|
CCN(CC)C(=O)[C@]1(C[C@H]1CN(C)C)c1ccccc1
CCN(CC)C(=O)C1(CC1CNCc1ccncc1)c1ccccc1 |w:7.20,9.10|
CCN(CC)C(=O)C1(CC1CNCc1cccnc1)c1ccccc1 |w:7.20,9.10|
CCN(CC)C(=O)C1(CC1CNCc1ccccn1)c1ccccc1 |w:7.20,9.10|
CCN(CC)C(=O)C1(CC1CNCc1ccc[nH]1)c1ccccc1 |w:7.19,9.10|
CCN(CC)C(=O)C1(CC1CNCc1ccco1)c1ccccc1 |w:7.19,9.10|
CCN(CC)C(=O)C1(CC1CNCc1cnco1)c1ccccc1 |w:7.19,9.10|
CCN(CC)C(=O)C1(CC1CNCc1ncco1)c1ccccc1 |w:7.19,9.10|
CCN(CC)C(=O)C1(CC1CNCC(OC)OC)c1ccccc1 |w:7.18,9.10|
CCN(CC)C(=O)C1(CC1CNCC1CCCC1)c1ccccc1 |w:7.19,9.10|
CCN(CC)C(=O)C1(CC1CNCC(C)C)c1ccccc1 |w:9.10,7.16|
CCCCNCC1CC1(C(=O)N(CC)CC)c1ccccc1 |w:6.5,8.16|
CCNCC1CC1(C(=O)N(CC)CC)c1ccccc1 |w:4.3,6.14|
CCN(CC)C(=O)[C@]1(C[C@H]1CNC)c1ccccc1
NCC(=O)NCC1CC1(C(=O)C1NCCc2ccccc12)c1ccccc1 |w:11.11,6.5,8.23|
NCC(=O)NCC1CC1(C(=O)N1CCc2ccccc12)c1ccccc1 |w:6.5,8.22|
CCN(CC)C(=O)[C@]1(C[C@H]1CNC(=O)CN)c1ccccc1 |r|
NCC1CC1(C(=O)C1NCCc2ccccc12)c1ccccc1 |w:4.5,7.7,2.1|
NCC1CC1(C(=O)N1CCCc2ccccc12)c1ccccc1 |w:4.5,2.1|
NCC1CC1(C(=O)N1CCCCCC1)c1ccccc1 |w:4.5,2.1|
NCC1CC1(C(=O)N1CCCCC1)c1ccccc1 |w:4.5,2.1|
NCC1CC1(C(=O)N1CCCC1)c1ccccc1 |w:4.13,2.1|
CC(C)N(C(C)C)C(=O)C1(CC1CN)c1ccccc1 |w:9.14,11.12|
CCN(Cc1ccccc1)C(=O)C1(CC1CN)c1ccccc1 |w:12.12,14.16|
CCN(CCOC)C(=O)C1(CC1CN)c1ccccc1 |w:9.14,11.12|
CCN(C1CCCCC1)C(=O)C1(CC1CN)c1ccccc1 |w:11.11,13.15|
CCCCN(CC)C(=O)C1(CC1CN)c1ccccc1 |w:9.14,11.12|
CC(C)N(C(C)C)C(=O)C1(CC1CNC(=O)CN)c1ccccc1 |w:9.8,11.12|
NCC1CC1(C(=O)N1CCOCC1)c1ccccc1 |w:4.5,2.1|
CCN(C(=O)C1(CC1CN)c1ccccc1)c1ccccc1 |w:5.4,7.8|
CCN(C(=O)C1(CC1CN)c1ccccc1)C(C)(C)C |w:5.10,7.8|
CCCCCCC(=O)OC[C@@H]1[C@H]2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |w:14.13,THB:9:10:25:13.12,17:16:25:13.12|
Clc1ccc(cc1Cl)[C@H]1CC2CCC(S2)[C@H]1COC(=O)CCC(=O)OC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |w:30.33,27.46,10.15,13.14,THB:33:32:41:29.28,4:8:14:11.12,25:26:41:29.28,16:15:14:11.12|
CN1C2CC[C@@H]1[C@@H](COC(=O)CCC(=O)OC[C@@H]1C3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S3)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:2.38,21.34,18.35,TLB:35:33:1:3.4,7:6:1:3.4,THB:24:23:32:20.19,16:17:32:20.19|
CN1C2CC[C@@H]1[C@@H](COC(=O)CCC(=O)OC[C@@H]1[C@H]3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)O3)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:2.2,21.34,TLB:35:33:1:3.4,7:6:1:3.4,THB:24:23:32:20.19,16:17:32:20.19|
CN1C2CCC1[C@@H](COC(=O)CCCCCCCCCCC(=O)OC[C@@H]1C3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N3C)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:29.29,26.27,2.47,5.4,TLB:44:42:1:3.4,7:6:1:3.4,THB:24:25:40:28.27,32:31:40:28.27|
CN1C2CCC1[C@@H](COC(=O)CCCCCCC(=O)OC[C@@H]1C3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N3C)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:2.2,5.4,25.25,22.23,TLB:40:38:1:3.4,7:6:1:3.4,THB:28:27:36:24.23,20:21:36:24.23|
CN1C2CCC1[C@@H](COC(=O)CCCCC(=O)OC[C@@H]1C3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N3C)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:2.2,5.4,23.23,20.21,TLB:38:36:1:3.4,7:6:1:3.4,THB:26:25:34:22.21,18:19:34:22.21|
Clc1ccc(cc1Cl)[C@H]1CC2CCC(O2)[C@H]1COC(=O)CCC(=O)OC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |w:10.10,13.14,30.45,27.46,THB:4:8:14:11.12,33:32:41:29.28,16:15:14:11.12,25:26:41:29.28|
CN1C2CCC1[C@@H](COC(=O)CCCCCCCCC(=O)OC[C@@H]1C3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N3C)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:5.4,27.27,24.25,2.45,TLB:42:40:1:3.4,7:6:1:3.4,THB:30:29:38:26.25,22:23:38:26.25|
CN1C2CCC1[C@@H](COC(=O)CCC(=O)OC[C@@H]1C3CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N3C)[C@H](C2)c1ccc(Cl)c(Cl)c1 |w:2.39,5.4,21.21,18.19,TLB:36:34:1:3.4,7:6:1:3.4,THB:24:23:32:20.19,16:17:32:20.19|
O[C@@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1
O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1
O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)Cc1ccccc1
O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)Cc1ccccc1
O[C@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccccc1)Cc1ccccc1
O[C@@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccccc1)Cc1ccccc1
COc1ccc(CN2CCN3C[C@@H]2CC[C@H]3C(c2ccccc2)c2ccccc2)cc1
N#Cc1ccc(CN[C@H]2CC[C@H](NC2)C(c2ccccc2)c2ccccc2)cc1
O[C@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccc(F)cc1)c1ccc(F)cc1 |w:10.18|
O[C@@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
CN(C)Cc1cnc(C)cc1Oc1ccccc1Oc1ccccc1
CC(C)c1ccccc1Oc1cc(C)ncc1CN(C)C
CNCc1cnc(C)cc1Oc1ccccc1Cl
CN(C)Cc1cnc(C)cc1Oc1ccccc1C
COc1ccccc1Oc1cc(C)ncc1CN(C)C
CCc1ccccc1Oc1cc(C)ncc1CNC
CCc1ccccc1Oc1cc(C)ncc1CN(C)C
CCc1cc(Cl)ccc1Oc1cc(C)ncc1CNC
CCCc1ccccc1Oc1cc(C)ncc1CN(C)C
CCCc1ccccc1Oc1cc(C)ncc1CNC
CNCc1cnc(C)cc1Oc1ccccc1C(C)C
CN(C)Cc1cnc(C)cc1Oc1ccccc1Cl
CSc1ccccc1Oc1cc(C)ncc1CN(C)C
CNCc1cnc(C)cc1Oc1ccccc1SC
CNCc1cnc(C)cc1Oc1ccccc1C
CCOc1ccccc1Oc1cc(C)ncc1CN(C)C
CCOc1ccccc1Oc1cc(C)ncc1CNC
CNCc1cnc(C)cc1Oc1ccccc1OC
CN(C)Cc1cnccc1Oc1ccc(Cl)cc1Br
CN(C)Cc1cnccc1Oc1ccc(Cl)cc1C
CCc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
CCc1cc(Cl)ccc1Oc1ccncc1CN(C)C
COc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
COc1cc(Cl)ccc1Oc1ccncc1CN(C)C
CN(C)Cc1cnccc1Oc1ccc(Cl)cc1Cl
CN(C)Cc1cnc(C)cc1Oc1ccc(Cl)cc1C
O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cn(Cc2ccccc2)nn1 |r,TLB:0:1:4.3:6.7.8,16:6:4.3:1,THB:9:7:4.3:1|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cn(CCN2CCCCC2)nn1 |r,TLB:0:1:4.3:6.7.8,16:6:4.3:1,THB:9:7:4.3:1|
CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccc(N)cc1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.16.17,7:6:4.3:1,THB:18:16:4.3:1|
CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccc(cc1)[N+]([O-])=O)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.18.19,7:6:4.3:1,THB:20:18:4.3:1|
CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccccc1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.15.16,7:6:4.3:1,THB:17:15:4.3:1|
CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccccc1)[C@H](C2)c1ccc(C)cc1 |r,TLB:0:1:4.3:6.15.16,7:6:4.3:1,THB:17:15:4.3:1|
CN1[C@H]2CC[C@@H]1[C@@H](C#C)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.9.10,7:6:4.3:1,THB:11:9:4.3:1|
CN1[C@H]2CC[C@@H]1[C@@H](C#C)[C@H](C2)c1ccc(C)cc1 |r,TLB:0:1:4.3:6.9.10,7:6:4.3:1,THB:11:9:4.3:1|
[#6]-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6@@H]-1-[#6@H](\[#6]=[#6](/Br)Br)-[#6@H](-[#6]-2)-c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.11.12,7:6:4.3:1,THB:13:11:4.3:1|
[#6]-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6@@H]-1-[#6@H](\[#6]=[#6](/Br)Br)-[#6@H](-[#6]-2)-c1ccc(-[#6])cc1 |r,TLB:0:1:4.3:6.11.12,7:6:4.3:1,THB:13:11:4.3:1|
[#6]-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6@@H]-1-[#6@@H](\[#6]=[#6](/Br)Br)-[#6@H](-[#6]-2)-c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.11.12,7:6:4.3:1,THB:13:11:4.3:1|
[#6]-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6@@H]-1-[#6@@H](\[#6]=[#6](/Br)Br)-[#6@H](-[#6]-2)-c1ccc(-[#6])cc1 |r,TLB:0:1:4.3:6.11.12,7:6:4.3:1,THB:13:11:4.3:1|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C |r,TLB:18:17:6.7:4.10.9,11:10:6.7:17,THB:2:4:6.7:17|
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
COc1ccc(cc1)-c1c(C)noc1[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C |r,THB:13:14:28:16.17|
COc1ccc(cc1)-c1c(C)noc1[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,THB:13:14:28:16.17|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1onc(C)c1-c1ccc(C)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1onc(C)c1-c1ccc(C)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1onc(C)c1-c1ccc(Cl)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1onc(C)c1-c1ccc(Cl)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1onc(C)c1-c1ccc(F)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1onc(C)c1-c1ccc(F)cc1 |r,TLB:16:6:1:4.3|
COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1 |r,THB:9:12:26:14.15|
COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,THB:9:12:26:14.15|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(Cc2ccc(C)cc2)no1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(Cc2ccc(C)cc2)no1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(Cc2ccc(Cl)cc2)no1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(Cc2ccc(Cl)cc2)no1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(Cc2ccc(F)cc2)no1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(Cc2ccc(F)cc2)no1 |r,TLB:16:6:1:4.3|
COc1ccc(cc1)-c1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C |r,THB:10:13:27:15.16|
COc1ccc(cc1)-c1cc(on1)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,THB:10:13:27:15.16|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(C)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(C)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(Cl)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(Cl)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(F)cc1 |r,TLB:16:6:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(F)cc1 |r,TLB:16:6:1:4.3|
CCOc1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccc(O)cc1C |r|
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(C)c1C |r|
CNC[C@H]1OCc2ccccc2[C@H]1Oc1cccc(C)c1C |r|
CNC[C@H]1OCc2ccccc2[C@H]1Oc1ccccc1C(F)(F)F |r|
CNC[C@H]1OCc2ccccc2[C@H]1Oc1ccccc1Cl |r|
CNC[C@H]1COc2ccccc2[C@H]1Oc1ccccc1Cl |r|
CCc1ccccc1O[C@H]1[C@@H](CNC)COc2ccccc12 |r|
CCc1ccccc1O[C@@H]1[C@H](CNC)COc2ccccc12 |r|
CNC[C@@H]1OCc2ccccc2[C@H]1Oc1ccccc1C |r|
CNC[C@@H]1COc2ccccc2[C@H]1Oc1ccccc1C |r|
Cc1ccccc1O[C@H]1[C@@H](CN)OCc2ccccc12 |r|
Cc1ccccc1O[C@H]1[C@@H](CN)COc2ccccc12 |r|
CNC[C@H]1OCc2ccccc2[C@H]1Oc1ccccc1C |r|
CNC[C@H]1COc2ccccc2[C@H]1Oc1ccccc1C |r|
CNC[C@H]1CCc2ccccc2[C@H]1Oc1ccccc1C |r|
C1C2CNCC12c1ccccc1
Fc1ccc2sc(cc2c1)[C@@]12C[C@@H]1CNC2 |r|
Fc1ccc(s1)[C@@]12C[C@@H]1CNC2 |r|
C1[C@H]2CNC[C@@]12c1ccc2CCCc2c1 |r|
C1[C@H]2CNC[C@@]12c1ccc2OCCc2c1 |r|
C1[C@H]2CNC[C@@]12c1ccsc1 |r|
Brc1ccc(s1)[C@]12C[C@H]1CNC2 |r|
FC(F)(F)c1ccc(s1)C12CC1CNC2
Cc1csc(c1)C12CC1CNC2
Clc1cc(Cl)c(s1)C12CC1CNC2
Brc1ccc(s1)C12CC1CNC2
Clc1ccc(s1)[C@@]12C[C@@H]1CNC2 |r|
Clc1ccc(s1)[C@]12C[C@H]1CNC2 |r|
O=C1NCC2CC12c1cccs1
CN1CC2CC2(C1)c1cccs1
C[C@H]1NC[C@@H]2C[C@]12c1cccs1 |r|
C[C@@H]1NC[C@]2(C[C@@H]12)c1cccs1 |r|
C[C@H]1NC[C@]2(C[C@@H]12)c1cccs1 |r|
C1[C@@H]2CNC[C@]12c1cccs1 |r|
C1[C@H]2CNC[C@@]12c1cccs1 |r|
C1C2CNCC12c1cccs1
C1C2CNCC12c1csc2ccccc12
C1C2CNCC12c1cc2ccccc2s1
C1C2CNCC12c1cc2ccccc2o1
C1C2CNCC12c1ccc2ncccc2c1
C1C2CNCC12c1ccc2ccccc2c1
C1C2CNCC12c1ccc(cc1)-c1ccccc1
C1C2CNCC12c1ccc2OCOc2c1
Clc1ccc(cc1Cl)[C@@]12CNC[C@@H]1[C@H]2c1ccccc1 |r|
C[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
C[C@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)[C@]12C[C@@H]1CNC2 |r|
Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
C1NC[C@@]2([C@H]1[C@H]2c1ccccc1)c1ccccc1 |r|
CC1(C)C2CNCC12c1ccccc1
FC12CC1(CNC2)c1ccccc1
Clc1ccc(s1)C12CC1CNC2
Cc1ccccc1O[C@@H]1CC[C@@H](N)c2ccccc12 |r|
CN[C@@H]1CC[C@H](Oc2ccccc2C)c2ccccc12 |r|
Cc1ccccc1O[C@H]1CC[C@@H](N)c2ccccc12 |r|
CN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc2C1 |r|
CN[C@H]1C[C@@H](Oc2ccccc2C)c2ccccc2C1 |r|
CN[C@H]1C[C@H](Oc2ccccc2C)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](Oc2ccccc2C)c2ccccc2C1 |r|
CN[C@@H]1C[C@@H](Oc2ccccc2C)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
CN[C@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
Cc1ccccc1O[C@H]1C[C@H](N)c2ccccc12 |r|
CC(C)N(C)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
CCN(CC)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
CCN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
COc1ccccc1O[C@H]1C[C@@H](N(C)C)c2ccccc12 |r|
CN(C)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
CN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12 |r|
COc1ccc(O[C@H]2C[C@@H](N(C)C)c3ccccc23)cc1 |r|
CN(C)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12 |r|
CN[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12 |r|
N[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12 |r|
CN(C)[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12 |r|
CN[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12 |r|
N[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12 |r|
c1ccc(cc1)[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F
COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11|
COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11|
CNCC[C@@H](c1cccs1)c1cccc2ccccc12 |r|
CNCC[C@H](c1cccs1)c1cccc2ccccc12 |r|
CNCCC[C@@H](c1cccs1)c1cccc2ccccc12 |r|
CNCCC[C@H](c1cccs1)c1cccc2ccccc12 |r|
CNCC[C@@H](c1cccs1)c1cccc2[nH]ccc12 |r|
CNCC[C@H](c1cccs1)c1cccc2[nH]ccc12 |r|
CNCCC[C@@H](c1cccs1)c1cccc2[nH]ccc12 |r|
CNCCC[C@H](c1cccs1)c1cccc2[nH]ccc12 |r|
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r|
CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r|
CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r|
CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r|
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r|
CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r|
CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r|
CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r|
Cc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
FCCCc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
FCCc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
Cc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
CS(=O)(=O)Nc1ccc(cc1)OC[C@H](CNCCc2ccc(c(c2)Cl)Cl)O
CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC
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
NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1 |r|
CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1 |r|
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1cccs1 |r|
CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1cccs1 |r|
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1 |r|
CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1cccs1 |r|
COc1ccc(F)cc1CC[C@H]1CC[C@H](CCN)O1 |r|
COc1ccc(F)cc1CC[C@@H]1CC[C@H](CCN)O1 |r|
COc1ccc(F)cc1CCC[C@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1CCC[C@@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1CCCCC1CCC(CCN)O1
COc1ccc(CCC2CCC(CCN)O2)c2ccccc12
COc1ccc2ccccc2c1CCC1CCC(CCN)O1
NCC1CCC(O1)c1ccccc1
NCC1CCC(O1)c1ccc(Cl)cc1
NCC1CCC(O1)c1ccc(Br)cc1
COc1ccc(cc1)C1CCC(CN)O1
CC(C)(C)c1ccc(cc1)C1CCC(CN)O1
NCC1CCC(O1)c1ccc2ccccc2c1
NCC1CCC(O1)c1cccc2ccccc12
NCC1CCC(CCc2ccccc2)O1
NCC1CCC(CCc2cccc3ccccc23)O1
NCC1CCC(CCc2c(F)c(F)c(F)c(F)c2F)O1
NCC1CCC(CCc2cccnc2)O1
NCCC1CCC(Cc2ccccc2)O1
Cc1cc(CCC2CCC(CCN)O2)ccc1F
NCCC1CCC(CCc2ccc(O)cc2)O1
NCCC1CCC(O1)c1ccco1
COc1ccc(F)cc1[C@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1C1CCC(CN)O1
COc1ccc(F)cc1[C@H]1CC[C@H](CCN)O1 |r|
COc1ccc(F)cc1[C@@H]1CC[C@H](CCN)O1 |r|
COc1ccc(F)cc1C[C@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1C[C@@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1C[C@H]1CC[C@H](CCN)O1 |r|
COc1ccc(F)cc1C[C@@H]1CC[C@H](CCN)O1 |r|
COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1 |r|
COc1ccc(F)cc1CC[C@@H]1CC[C@H](CN)O1 |r|
CCN(CC)CCn1c2ccccc2c(=O)c2ccccc12
CCN(CC)CCCn1c2ccccc2c(=O)c2ccccc12
CCN(CC)CCCCn1c2ccccc2c(=O)c2ccccc12
CCN(CC)CCCCCn1c2ccccc2c(=O)c2ccccc12
CCN(CC)CCCCCCn1c2ccccc2c(=O)c2ccccc12
CC(NC(C)(C)C)C(=O)c1ccccc1
CCN(CC)C(C)C(=O)c1cccc(Cl)c1
CC(C)NC(C)C(=O)c1cccc(Cl)c1
CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1
CCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CC(NC(C)(C)C)C(=O)c1cc(F)cc(F)c1
CC(NC1CCC1)C(=O)c1cccc(Cl)c1
CC(NC(C)(C)C)C(O)c1ccccc1
CC(C)(C)NC1CCc2ccc(Cl)cc2C1=O
CC1N(Cc2ccc(Cl)cc2C1=O)C(C)(C)C
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2C |r,TLB:11:10:19:7.6,THB:2:4:19:7.6|
CCSc1ccc(cc1)[C@H]1CC2CCC([C@H]1C(=O)OC)N2C |r,TLB:6:9:20:12.13,THB:16:15:20:12.13|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC(C)C)cc1)N2C |r,TLB:11:10:21:7.6,THB:2:4:21:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC(F)(F)F)cc1)N2C |r,TLB:11:10:22:7.6,THB:2:4:22:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)c(Br)c1)N2C |r,TLB:11:10:20:7.6,THB:2:4:20:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(c(Br)c1)S(C)=O)N2C |r,TLB:11:10:21:7.6,THB:2:4:21:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)S(C)=O)N2C |r,TLB:11:10:20:7.6,THB:2:4:20:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)S(C)(=O)=O)N2C |r,TLB:11:10:21:7.6,THB:2:4:21:7.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2 |r,TLB:11:10:19:7.6,THB:2:4:19:7.6|
CCSc1ccc(cc1)[C@H]1CC2CCC(N2)[C@H]1C(=O)OC |r,TLB:6:9:15:12.13,THB:17:16:15:12.13|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2CCCF |r,TLB:11:10:19:7.6,THB:2:4:19:7.6|
CCSc1ccc(cc1)[C@H]1CC2CCC([C@H]1C(=O)OC)N2CCCF |r,TLB:6:9:20:12.13,THB:16:15:20:12.13|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(SC)cc1)N2CC=C |r,TLB:11:10:19:7.6,THB:2:4:19:7.6|
CCSc1ccc(cc1)[C@H]1CC2CCC([C@H]1C(=O)OC)N2CC=C |r,TLB:6:9:20:12.13,THB:16:15:20:12.13|
CCCN1C2CCC1[C@H]([C@H](C2)c1ccc(SC)cc1)C(=O)OC |r,TLB:19:8:3:5.6,THB:11:9:3:5.6|
CCCN1C2CCC1[C@H]([C@H](C2)c1ccc(SCC)cc1)C(=O)OC |r,TLB:20:8:3:5.6,THB:11:9:3:5.6|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(OC)cc1)N2C |r,TLB:11:10:19:7.6,THB:2:4:19:7.6|
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1 |r|
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N
CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(c1)C#N |r|
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1C#N |r|
C1CC2NC1CC(=C2)c1ccccc1 |c:7,TLB:8:6:3:0.1|
Fc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10|
Clc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10|
FC(F)(F)c1ccc(cc1)C1=CC2CCC(C1)N2 |t:11,TLB:7:10:17:14.13|
Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2 |t:9,TLB:4:8:15:12.11|
C(OC1(CC2CCC(C1)N2)c1ccccc1)c1ccccc1 |TLB:1:2:9:5.6,THB:10:2:9:5.6|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Clc1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:15:7:14:10.11,THB:4:7:14:10.11|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
FC(F)(F)c1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:18:10:17:13.14,THB:7:10:17:13.14|
Clc1ccc(cc1Cl)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:16:8:15:11.12,THB:4:8:15:11.12|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11|
NCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r|
NCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2cccc3ccccc23)c2cccs2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:46,t:11|
COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2cccc3ccccc23)c2cccs2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:46,t:11|
COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12 |r,c:18,t:11|
COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:24,t:11|
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
CN1[C@H](C[C@H](OS(=O)(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)Cc2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CCC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 |r|
CN1[C@H](C[C@H](OC(C)=O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CCCC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 |r|
CC(C)S(=O)(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 |r|
CCCCS(=O)(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(F)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OC(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
COc1ccc(cc1)C(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 |r|
CN1[C@H](C[C@H](OC(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2cccc3ccccc23)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CN1[C@H](C[C@H](OS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CC(C)C(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 |r|
CN1[C@H](C[C@H](OC(=O)c2ccc(C)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r|
CNCCCC1Cc2cc(F)ccc2N(c2ccccc2)S1(=O)=O
CNCCCC1Cc2ccccc2N(c2ccccc2)S1(=O)=O
Oc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1 |r|
CCCOc1ccccc1CC(N1CCNCC1)c1ccccc1
CC(C)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
C(C(N1CCNCC1)c1ccccc1)c1ccccc1OC1CC1
C(Oc1ccccc1CC(N1CCNCC1)c1ccccc1)C1CC1
C(C(N1CCNCC1)c1ccccc1)c1cccc2CCOc12
FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
FC(F)(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
COc1c(F)cccc1CC(N1CCNCC1)c1ccccc1
COc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
FC(F)Oc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
COc1ccccc1CC(N1CCNCC1)c1ccccc1F
COc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
COc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1F
FC(F)Oc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Fc1cccc(c1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Fc1ccc(cc1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
CN(C)CCC(c1ccc2ccccc2c1)n1ncnn1
CN(C)CCC(c1ccc(Cl)c(Cl)c1)n1ncnn1
CNCCC(c1ccc(Cl)c(Cl)c1)n1ncnn1
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r|
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(n1)-n1nccn1 |r|
CNCCC(c1ccc2ccccc2c1)n1ncnn1
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
NC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
NC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
NC(=O)CS(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
NC(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
NC(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1
CN(C)C(=O)CSC(c1ccccc1)c1ccccc1
CN(C)C(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
CN(C)C(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN(C)C(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
CN(C)C(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN(C)C(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1
CNC(=O)CS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CNC(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1
O=C(CS(=O)C(c1ccccc1)c1ccccc1)NCCCc1ccccc1
CN(C)CCS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(C)c(F)c1)N2 |r|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(Cl)c(C)c1)N2C |r,TLB:20:19:6.7:4.10.9|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)c(C)c1)c1cc(no1)-c1ccccc1 |r,TLB:0:1:4.3:6.7.8|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)c(C)c1)c1cc(C)no1 |r,TLB:0:1:4.3:6.7.8|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2 |r|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1nc2cc(C)c(C)cc2[nH]1 |r,TLB:0:1:4.3:6.7.8|
COc1ccc(cc1)-c1cc(on1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:28:27:15.16:13.19.18|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(Cl)cc1 |r,TLB:0:1:4.3:6.7.8|
CCc1cc(on1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |r,TLB:22:21:9.10:7.13.12|
CC(C)OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |r,TLB:21:20:8.9:6.12.11|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)OC1CCC1 |r,TLB:0:1:4.3:6.7.8|
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(cc1)-c1cccs1)O2 |r|
C1CC2OC1CC(=C2)c1cccc2ccccc12 |c:7|
COC(=O)C1=C(CC2CCC1O2)c1ccc(cc1)-c1ccco1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccc(cc1)-c1cccs1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccc(cc1)-c1cccn1C |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccc(cc1)-c1nccs1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cccc(c1)-c1ccco1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cccc(c1)-c1cccs1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cccc(c1)-c1cccn1C |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cccc(c1)-c1nccs1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cnc(s1)-c1cccc(Br)c1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cc2ccccc2o1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1nc2ccccc2o1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1nc2ccccc2s1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cc2ccccc2s1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cc2ccccc2[nH]1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cccs1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccco1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1cccn1C |t:4|
COC(=O)C1=C(CC2CCC1O2)c1nccs1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccc(o1)-c1ccccc1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccc(s1)-c1ccccc1 |t:4|
COC(=O)C1=C(CC2CCC1O2)c1ccc(-c2ccccc2)n1C |t:4|
O=C1C2=C(CC3CCC2O3)c2cc3ccccc3n12 |t:2|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(cc1)-c1ccco1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(cc1)-c1cccn1C)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(cc1)-c1nccs1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccco1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1cccn1C)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1cccc(c1)-c1ccco1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1cccc(c1)-c1cccs1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(c1)-c1cccn1C)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@H]1c1cccc(c1)-c1nccs1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@H]1c1cc3ccccc3o1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1cc3ccccc3s1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@@H]1c1cc3ccccc3s1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@H]1c1cc3ccccc3[nH]1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cc3ccccc3[nH]1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@@H]1c1cc3ccccc3[nH]1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@H]1c1ccc(s1)-c1ccccc1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@H]1c1ccc(o1)-c1ccccc1)O2 |r|
COC(=O)[C@H]1C2CCC(C[C@@H]1c1cccs1)O2 |r|
COC(=O)[C@@H]1C2CCC(C[C@H]1c1cccs1)O2 |r|
C1CC2OC1CC(=C2)c1ccc2ccccc2c1 |c:7|
C1CC2OC1CC(=C2)c1ccc2cc3ccccc3cc2c1 |c:7|
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
O=C(NC1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
C[C@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r|
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1 |r|
CNC(=O)CS(=O)C1c2ccccc2-c2ccccc12
NC(=O)CS(=O)C1c2ccccc2-c2ccccc12
CC1(c2ccccc2-c2ccccc12)S(=O)CC(N)=O
OCCNC(=O)CS(=O)C1c2ccccc2-c2ccccc12
CCN(CC)C(=O)CS(=O)C1c2ccccc2-c2ccccc12
O=C(CS(=O)C1c2ccccc2-c2ccccc12)N1CCOCC1
O=C(CS(=O)C1c2ccccc2-c2ccccc12)N1CCNCC1
CC(=O)N1CCN(CC1)C(=O)CS(=O)C1c2ccccc2-c2ccccc12
NC(=O)CNC(=O)CS(=O)C1c2ccccc2-c2ccccc12
C[C@H](NC(=O)CS(=O)C1c2ccccc2-c2ccccc12)C(N)=O |r|
NC(=O)[C@H](CO)NC(=O)CS(=O)C1c2ccccc2-c2ccccc12 |r|
NC(=O)[C@@H]1CCCN1C(=O)CS(=O)C1c2ccccc2-c2ccccc12 |r|
OC1c2ccccc2-c2ccccc12
Fc1cccc(CCN2CCCC2)c1
Fc1cccc(CCCN2CCCC2)c1
C(Cc1ccccc1)N1CCCC1
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,)|
Clc1ccc(cc1)N1CCN(CCCCC(=O)c2nc3ccccc3s2)CC1
NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
COc1ccc2cc(ccc2c1Cl)C(O)CCN1CCC(Cc2ccccc2)=CC1 |c:30|
OC(CCN1CCC(Cc2ccccc2)=CC1)c1ccc(Cl)c(Cl)c1 |c:15|
OC(CCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
OC(CCN1CCC(Cc2ccccc2)=CC1)c1csc2ccccc12 |c:15|
OC(CCN1CCC(Cc2ccccc2)=CC1)c1cc2ccccc2s1 |c:15|
[H][C@@]12CC[C@]([H])([C@H]([C@@H](C1)c1ccc(C)cc1)C(=O)OCCF)N2C\C=C\I |r|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C\C=C\I |r,TLB:19:18:10.4.9:7.6|
CN(CCF)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |r,THB:21:20:12.6.11:9.8|
CN(CCCF)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |r,THB:22:21:13.7.12:10.9|
CN(CCOCCF)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |r,THB:24:23:15.9.14:12.11|
CN(C)C(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2CCF |r,TLB:20:19:11.5.10:8.7|
CN(C)C(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2CCCF |r,TLB:20:19:11.5.10:8.7|
CN(C)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2CCF |r,TLB:19:18:10.4.9:7.6|
CN(C)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2CCCF |r,TLB:19:18:10.4.9:7.6|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(N)c(I)c1 |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(cc1)N=[N+]=[N-] |r|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(N=[N+]=[N-])c(I)c1 |r|
OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
CCOC1=NO[C@@]2(C1)C[C@@H]1CC[C@H](C2)N1 |r,t:3,TLB:7:6:11.10:14,THB:5:6:11.10:14|
CCOC1=NO[C@@]2(C1)C[C@@H]1CC[C@H](C2)[N+]1(C)C |r,t:3,TLB:7:6:11.10:14,THB:5:6:11.10:14|
C(OC1=NO[C@@]2(C1)C[C@@H]1CC[C@H](C2)N1)c1ccccc1 |r,t:2,TLB:6:5:10.9:13,THB:4:5:10.9:13|
OC1=NO[C@@]2(C1)C[C@@H]1CC[C@H](C2)N1 |r,t:1,TLB:5:4:9.8:12,THB:3:4:9.8:12|
CCOC1=NO[C@@]2(C1)C[C@@H]1CC[C@H](C2)N1C |r,t:3,TLB:7:6:11.10:14,THB:5:6:11.10:14|
Fc1cc(ccc1Cl)C(Oc1ccccc1)C1CNC1
Clc1ccc(OC(C2CNC2)c2ccc3ccccc3c2)cc1Cl
C1NCC1C(Oc1ccccc1)c1ccc2ccccc2c1
CCCOC(C1CNC1)c1ccc2ccccc2c1
CCCOC(C1CNC1)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12
C[C@@H](N1CC(C1)Oc1ccccc1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
C[C@@H](N1CC(C1)Oc1ncccn1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
CC(N1CC(C1)Oc1ccc(cc1)C#N)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
CC(N1CC(C1)Oc1ccc(F)cc1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r|
C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCN1 |r|
COc1ccc(cc1)[C@@H](CN(C)C)C1(O)CCCCC1
CN(C)C[C@@H](c1ccc(cc1)OC)C2(CCCCC2)O
COc1ccc(cc1)[C@@H](CN(C)C)[Si]1(O)CCCCC1 |r|
Cc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3
Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
Clc1cccc(Sc2ccccc2N2CCNCC2)c1Cl
Cc1ccc(Sc2ccccc2N2CCNCC2)cc1C
Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2CCF |r,TLB:11:10:6.7:18,THB:2:4:6.7:18|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,THB:19:18:4.10.9:7.6|
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|
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|
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|
COc1c(F)ccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
COc1ccc(F)cc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
CN1C[C@@H](c2cccc(F)c2)c2ccc(C)cc2C1 |r|
CN1CC(c2ccc(Cl)cc2)c2ccc(C)cc2C1
CN1C[C@@H](c2ccc(F)cc2)c2ccc(C)cc2C1 |r|
CN1CC(c2cc(F)cc(F)c2)c2ccc(C)cc2C1
CN1CC(c2cccc(Cl)c2)c2ccc(C)cc2C1
CN1CC(c2ccc(F)c(F)c2)c2ccc(C)cc2C1
CN1CC(c2ccc(C)cc2)c2ccc(C)cc2C1
CN1CC(c2ccc(F)c(F)c2)c2ccc(O)cc2C1
COc1ccc2C(CN(C)Cc2c1)c1ccc(C)c(F)c1
COc1ccc2C(CN(C)Cc2c1)c1cccc(C)c1
COc1ccc2C(CN(C)Cc2c1)c1ccc(F)c(F)c1
CN1CC(c2ccccc2)c2ccc(F)cc2C1
CN1CC(c2ccc(C)cc2)c2cccc(C)c2C1
CN1CC(c2ccc(F)c(F)c2)c2cccc(C)c2C1
CN1CC(c2ccc(F)c(C)c2)c2ccccc2C1
CN1CC(c2ccc(C)c(F)c2)c2ccccc2C1
CN1CC(c2ccc(Cl)c(F)c2)c2ccccc2C1
CN1CC(c2ccc(F)c(F)c2)c2ccccc2C1
CN1CC(c2ccc(Cl)cc2)c2ccccc2C1
CN1CC(c2ccccc2)c2c(C)cccc2C1
COc1ccc2CN(C)CC(c3ccccc3)c2c1
CN1CC(c2ccccc2)c2cc(C)ccc2C1
CN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
CCOc1ccc2C(CN(C)Cc2c1)c1ccccc1
COc1ccc2C(CN(C)Cc2c1)c1ccccc1
CCc1ccc2C(CN(C)Cc2c1)c1ccccc1
CN1CC(c2ccccc2)c2ccc(C)cc2C1
CN1CC(c2ccccc2)c2ccccc2C1
CN1CC(c2ccccc2)c2cccc(O)c2C1
COc1cccc2C(CN(C)Cc12)c1ccccc1
CN1CC(c2ccccc2)c2cccc(C)c2C1
COc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1
NS(=O)(=O)c1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1
N#Cc1ccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)cc1
N#Cc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1
N#Cc1ccccc1CN(C1CCNCC1)c1ccc2[nH]ccc2c1
Fc1ccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)cc1
Fc1ccccc1CN(C1CCNCC1)c1ccc2[nH]ccc2c1
C(C1CCOCC1)N(C1CCNCC1)c1ccc2[nH]ccc2c1
C(Cc1ccccc1)N(C1CCNCC1)c1ccc2[nH]ccc2c1
O=C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1
Cn1ccc2cc(ccc12)N(Cc1ccccc1)C1CCNCC1
C(N(C1CCNCC1)c1ccc2sccc2c1)c1ccccc1
C(N(C1CCNC1)c1ccc2[nH]ccc2c1)c1ccccc1
C(N(C1CCCNC1)c1ccc2[nH]ccc2c1)c1ccccc1
C1CC(CCN1)N(c1ccccc1)c1ccc2[nH]ccc2c1
CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1
CC(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1
C(N(C1CCNCC1)c1ccc2[nH]ncc2c1)c1ccccc1
C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1
CNCCN(c1ccccc1)c1ccc2[nH]ccc2c1
Fc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1
COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O
OCC[C@]1(CCCNC1)c1cc2ccccc2o1 |r|
OCC[C@@]1(CCCNC1)c1cc2ccccc2o1 |r|
OCC[C@]1(CCCNC1)c1ccc(Cl)c(Cl)c1 |r|
OCC[C@@]1(CCCNC1)c1ccc(Cl)c(Cl)c1 |r|
OCC[C@]1(CCCCNC1)c1ccc(Cl)c(Cl)c1 |r|
OCC[C@@]1(CCCCNC1)c1ccc(Cl)c(Cl)c1 |r|
COCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:6|
OCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:5|
Clc1ccc(cc1Cl)C1CCCCNC1
CN1CCCCC(C1)c1ccc(Cl)c(Cl)c1
C1NCC(CC=C1)c1cc2ccccc2o1 |c:5|
CN1CC=CCC(C1)c1cc2ccccc2o1 |c:3|
Clc1cccc(c1)C1CNCC=CC1 |c:12|
Clc1ccc(cc1)C1CNCC=CC1 |c:12|
Fc1ccc(cc1Cl)C1CNCC=CC1 |c:13|
Cc1cc(ccc1Cl)C1CNCC=CC1 |c:13|
CN1CC=CCC(C1)c1ccc(Cl)c(C)c1 |c:3|
Cc1ccc(cc1Cl)C1CNCC=CC1 |c:13|
C1NCC(CC=C1)c1ccc2ccccc2c1 |c:5|
Clc1ccc(cc1Cl)[C@H]1CNCC=CC1 |r,c:13|
Clc1ccc(cc1Cl)[C@@H]1CNCC=CC1 |r,c:13|
CN1CC=CC[C@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:3|
CN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:3|
CN1C[C@H](c2ccccc2)c2cccc(N)c2C1
CN1CCc2c(C1)cccc2C(=O)NCC1(CCCCC1)N1CCN(CC1)c1ccccc1
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCC(=O)Nc3cccc(c3)-c3ccc4c(COC4(CCCN(C)C)c4ccc(F)cc4)c3)c3ccc(cc3oc2c1)=[N+](CC)CC |(19.16,-47.15,;19.13,-48.69,;20.44,-49.49,;20.41,-51.03,;21.72,-51.83,;21.79,-48.75,;23.12,-49.55,;24.48,-48.8,;24.5,-47.26,;25.84,-46.5,;27.16,-47.29,;27.14,-48.84,;28.46,-49.62,;29.8,-48.87,;29.83,-47.33,;28.51,-46.54,;28.53,-45,;29.88,-44.25,;28.13,-43.51,;27.02,-45.39,;31.12,-49.66,;30.34,-51,;31.88,-51.02,;32.47,-48.91,;33.79,-49.7,;35.14,-48.95,;36.46,-49.74,;37.8,-48.99,;39.12,-49.78,;40.47,-49.03,;40.49,-47.49,;41.79,-49.82,;43.14,-49.07,;44.46,-49.86,;45.8,-49.11,;45.83,-47.57,;47.13,-49.92,;48.46,-49.15,;48.46,-47.6,;49.79,-46.83,;51.12,-47.6,;51.12,-49.15,;49.79,-49.91,;52.45,-49.91,;53.78,-49.15,;55.12,-49.92,;55.11,-51.46,;53.78,-52.23,;54.1,-53.73,;55.63,-53.89,;56.26,-52.49,;57.02,-51.15,;58.56,-51.14,;59.32,-49.8,;60.87,-49.79,;61.63,-48.46,;61.64,-51.12,;57.59,-53.26,;58.93,-52.49,;60.26,-53.26,;60.25,-54.8,;61.59,-55.57,;58.92,-55.57,;57.59,-54.8,;52.45,-51.45,;25.87,-44.97,;27.21,-44.23,;27.25,-42.69,;25.93,-41.9,;24.58,-42.64,;24.55,-44.17,;23.2,-44.92,;23.18,-46.45,;21.83,-47.2,;25.96,-40.36,;27.31,-39.61,;28.63,-40.41,;24.65,-39.56,;23.3,-40.31,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3[C@@H]4CC[C@@H]3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:35.35,38.39,39.53,40.44,TLB:50:39:34:36.37,THB:33:34:40.41.39:36.37,42:40:34:36.37,(30.38,-12.98,;30.41,-14.51,;29.1,-15.31,;29.13,-16.85,;27.81,-17.65,;27.75,-14.57,;26.42,-15.37,;25.06,-14.63,;25.03,-13.08,;23.7,-12.33,;22.38,-13.12,;22.4,-14.66,;21.07,-15.45,;19.74,-14.7,;19.71,-13.15,;21.03,-12.36,;21.01,-10.82,;19.66,-10.08,;21.4,-9.33,;22.52,-11.21,;18.41,-15.49,;19.19,-16.82,;17.65,-16.84,;17.07,-14.74,;15.75,-15.53,;14.4,-14.78,;13.08,-15.57,;11.73,-14.82,;10.41,-15.61,;9.07,-14.86,;9.04,-13.32,;7.75,-15.64,;7.73,-17.17,;6.42,-17.97,;6.46,-19.51,;6.72,-21.05,;5.73,-22.4,;6.91,-21.68,;7.52,-20.34,;9.27,-20.31,;9.54,-21.86,;8.56,-21.05,;10.31,-23.19,;11.84,-23.18,;12.62,-24.5,;11.85,-25.85,;12.62,-27.18,;10.31,-25.85,;9.54,-27.19,;9.54,-24.52,;10.09,-19.01,;9.38,-17.65,;11.63,-19.07,;12.35,-20.44,;23.67,-10.79,;22.33,-10.05,;22.29,-8.52,;23.61,-7.72,;24.96,-8.46,;24.98,-10,;26.33,-10.74,;26.36,-12.28,;27.71,-13.02,;23.58,-6.18,;22.23,-5.44,;20.91,-6.24,;24.89,-5.38,;26.23,-6.13,)|
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
FCCOc1cccc(CCN2CCN(CCc3ccccc3)CC2)c1
FCCOc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1
FCCOc1ccc(CCN2CCN(CCc3ccccc3Cl)CC2)cc1
FCCOc1ccccc1CCN1CCN(CCc2ccc(F)cc2)CC1
FCCOc1ccccc1CCN1CCN(CCc2ccccc2Cl)CC1
FCCOc1cccc(CCN2CCC(CCc3ccccc3)CC2)c1
FCCOc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
FCCOc1ccccc1CCC1CCN(CCc2ccccc2Cl)CC1
COc1ccc(CCN2CCC(CCc3ccccc3OCCF)CC2)cc1
COc1ccccc1CCN1CCC(CCc2ccccc2OCCF)CC1
FCCOc1cccc(CCC2CCN(CCc3ccccc3)CC2)c1
FCCOc1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1
FCCOc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1
FCCOc1ccccc1CCC1CCN(CCc2ccccc2)CC1
FCCOc1ccccc1CCN1CCN(CCc2ccccc2)CC1
COc1ccc(CCN2CCC(CCc3cccc(OCCF)c3)CC2)cc1
COc1ccccc1CCN1CCC(CCc2cccc(OCCF)c2)CC1
NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(cc1)-c1ccccc1 |r|
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(cc1)C(F)(F)F |r|
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@H]1c1ccc(F)cc1 |r|
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccccc1 |r|
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(F)cc1 |r|
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1cccc(c1)C(F)(F)F |r|
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(C)cc1 |r|
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(cc1)C(=O)OCC |r|
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1cccs1 |r|
CCOC(=O)C1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CCC1c1ccc(F)cc1
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1cccc2OCCOc12 |r|
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(cc1)N(C)C |r|
[H][C@]12CC[C@]([H])([C@@H](COCC)[C@H](C1)c1ccc(Cl)c(Cl)c1)N2C |r,TLB:13:11:2.3:21,7:6:2.3:21|
[H][C@]12CC[C@]([H])(CC(C1)Oc1ccc3oc(=O)c(C)cc3c1)N2 |r,TLB:9:7:22:3.2|
Clc1ccc(cc1Cl)[C@]12CC1CNC2 |r|
[H][C@]12CC[C@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r|
[H][C@@]12CC[C@@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r|
C1C2CNC[C@]12c1ccc2ccccc2c1 |r|
Clc1ccc(cc1Cl)C1CCNCC11CCOCC1
CN(C)CC(c1ccc(OC(=O)c2ccc(C)cc2)cc1)C1(O)CCCCC1
Cc1ccc(cc1)C12CC1CNC2
Clc1ccc(cc1Cl)[C@@]12CC1CNC2 |r|
[H][C@]12CC[C@]([H])([C@@H](COC)[C@H](C1)c1ccc(Cl)c(Cl)c1)N2C |r,TLB:12:10:2.3:20,7:6:2.3:20|
CN(C)C[C@@]1(CC[C@@](C)(O)CC1)c1ccc(Cl)c(Cl)c1 |r,wU:7.7,wD:4.12,(15.77,-23.8,;16.54,-22.46,;15.77,-21.12,;18.09,-22.47,;18.86,-21.14,;20.2,-20.37,;20.2,-18.83,;18.86,-18.05,;19.63,-16.7,;18.08,-16.71,;17.53,-18.83,;17.53,-20.37,;19.63,-22.47,;18.85,-23.8,;19.61,-25.14,;21.15,-25.14,;21.92,-26.48,;21.92,-23.8,;23.47,-23.8,;21.15,-22.47,)|
[H][C@]1(CN(C)Cc2cc(ccc12)-c1ccc(N)nn1)c1ccc2ccccc2c1 |r|
CN1CC(c2ccc(Cl)c(Cl)c2)c2cccc(N)c2C1
[H][C@@]12CCCN1C[C@H](c1ccc(cc1)C#C)c1ccccc21 |r|
C[C@@]1(O)CC[C@](CN)(CC1)c1ccc(Cl)c(Cl)c1 |r,wU:1.1,wD:5.10,(13.4,-17.03,;14.17,-15.7,;14.93,-17.03,;15.51,-14.94,;15.51,-13.4,;14.17,-12.62,;14.94,-11.28,;16.48,-11.28,;12.85,-13.4,;12.85,-14.94,;13.39,-11.29,;11.86,-11.3,;11.08,-9.97,;11.85,-8.62,;11.07,-7.29,;13.39,-8.61,;14.16,-7.28,;14.17,-9.95,)|
CNC[C@]1(CC[C@@](C)(O)CC1)c1ccc(Cl)c(Cl)c1 |r,wU:6.7,wD:3.11,(25.66,-8.12,;24.9,-9.46,;23.36,-9.46,;22.59,-10.8,;23.92,-11.58,;23.92,-13.12,;22.59,-13.88,;21.82,-15.21,;23.35,-15.21,;21.26,-13.12,;21.26,-11.58,;21.81,-9.47,;20.27,-9.47,;19.49,-8.14,;20.26,-6.79,;19.48,-5.46,;21.81,-6.79,;22.57,-5.45,;22.58,-8.12,)|
[H][C@@]12CC[C@@](C1)([C@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)[C@@H]1CCNC[C@@]11CCOC1 |r|
CN(C)C[C@@H]([C@H](O)C1CCCCC1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CN(C)CC(c1ccc(OC(=O)c2ccccc2)cc1)C1(O)CCCCC1
Clc1ccc(cc1Cl)C1CCNCC11COC1
CC1CCCN(C1)C(=O)CSC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 |r|
C[C@@]1(O)CC[C@@](CN)(CC1)c1ccc(Cl)c(Cl)c1 |r,wD:1.1,5.10,(7.5,-16.66,;6.74,-15.34,;5.97,-16.66,;5.42,-14.57,;5.42,-13.04,;6.74,-12.26,;7.51,-10.92,;9.05,-10.91,;8.08,-13.04,;8.08,-14.57,;5.97,-10.92,;4.43,-10.93,;3.65,-9.6,;4.42,-8.25,;3.64,-6.92,;5.97,-8.25,;6.73,-6.91,;6.74,-9.58,)|
N[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN(C)C[C@]1(CC[C@@](C)(O)CC1)c1ccc2ccccc2c1 |r,wU:7.8,wD:4.12,(46.19,-9.32,;45.43,-10.66,;46.2,-11.98,;43.89,-10.66,;43.12,-12,;44.46,-12.78,;44.46,-14.31,;43.12,-15.07,;42.36,-16.4,;43.89,-16.4,;41.81,-14.31,;41.81,-12.78,;42.35,-10.66,;40.81,-10.67,;40.03,-9.34,;40.8,-8,;40.03,-6.67,;40.79,-5.33,;42.34,-5.32,;43.12,-6.66,;42.35,-8,;43.12,-9.33,)|
[H][C@]12CC[C@](C1)([C@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r|
[H][C@@]12CCOC[C@]1([H])[C@@H](CCN2)c1ccc(Cl)c(Cl)c1 |r|
COc1ccc(cc1)C(CN(C)C)[Si]1(O)CCCC1
COc1ccc(cc1)C(CN(C)C)[Si]1(O)CCCCC1
O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccc2ccccc2c1
Clc1cccc(N2CCN(CCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCNC(=O)c3ccc4ccccc4n3)CC2)c1Cl
Clc1cccc(N2CCN(CCCNC(=O)c3cccc4ccccc34)CC2)c1Cl
Clc1cc(Cl)cc(c1)C(=O)NCCCN1CCN(CC1)c1ccccn1
O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccc2ccccc2n1
O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccc2ccccc2c1
O=C(NCCCN1CCN(CC1)c1ncccn1)c1cccc2ccccc12
O=C(NCCCN1CCN(CC1)c1ccccn1)c1cccc2ccccc12
Clc1cc(Cl)cc(c1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccc2ccccc2n1
Clc1cc(Cl)cc(c1)C(=O)NCCCN1CCN(CC1)c1ncccn1
OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1
c1cc(ccc1C(CCCN2CCC(CC2)(c3ccc(c(c3)C(F)(F)F)Cl)O)c4ccc(cc4)F)F
OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Fc1cccc(F)c1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
C(CN1CCC(CC1)c1ccccc1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
CN1C2CCC1[C@@H](CCCO)[C@H](C2)c1ccccc1 |TLB:7:6:1:4.3,THB:13:11:1:4.3|
C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1cccc(F)c1)N2C |TLB:9:7:25:3.2|
CCCC[C@H]1CC2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C |TLB:14:13:23:5.4,3:4:23:7.13.21,THB:8:7:23:5.4|
CN1C2CCC1[C@@H](CCCc1ccccc1)[C@H](C2)c1ccccc1 |TLB:7:6:1:4.3,THB:18:16:1:4.3|
COC(=O)CC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C |TLB:13:12:19:8.9,THB:5:6:19:8.9|
CN1C2CCC1[C@@H](CCC(=O)c1ccccc1)[C@H](C2)c1ccccc1 |TLB:7:6:1:4.3,THB:19:17:1:4.3|
CCN(CC)C(C)(C)OC(=O)c1ccc(N)cc1
CCC[C@H]1CC2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C |TLB:13:12:22:4.3,2:3:22:6.12.20,THB:7:6:22:4.3|
COC(=O)CC(C1CCCCN1)c1ccccc1
COC(=O)CCCC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C |TLB:15:14:21:10.11,THB:7:8:21:10.11|
CC1=C(Cc2ccc(OCCCCCCN3CCC(O)CC3)cc2C1=O)c1ccccc1 |t:1|
CN1C2CCC1[C@H]([C@H](C2)OC(=O)c1ccccc1)C(C)=O |TLB:9:7:1:4.3,18:6:1:4.3|
CCCN1CCCC(C1)c1ccc(O)cc1
COC(=O)\C=C\[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C |TLB:13:12:19:8.9,THB:5:6:19:8.9|
CC[C@H]1CC2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C |TLB:12:11:21:3.2,1:2:21:5.11.19,THB:6:5:21:3.2|
COC(=O)\C=C\CC[C@@H]1C2CCC(C[C@@H]1c1ccccc1)N2C |TLB:15:14:21:10.11,THB:7:8:21:10.11|
COC(=O)C[C@@H]1C2C[C@H](C)C(C[C@@H]1Cc1ccccc1)N2C |TLB:13:12:20:7.8,9:8:20:5.12.11,THB:4:5:20:7.8|
NC12CCC(CC1)(CC2)c1ccccc1
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(F)c(F)c1)N2C |TLB:9:7:25:2.3|
OC1(CCC(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
[H][C@@]12CCC(C([C@H](C1)c1ccc(Cl)cc1)C(=O)OC)N2C |r,THB:15:5:19:3.2|
CN(C)C\C=C(/c1cccnc1)c1cccc(Br)c1
CN1C2CCC1[C@@H](\C=C\CO)[C@H](C2)c1ccccc1 |TLB:7:6:1:4.3,THB:13:11:1:4.3|
COc1ccccc1OC(CCN)c1ccccc1
CCC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2C |THB:11:10:20:6.7,2:4:20:6.7|
Fc1ccc(CN(CCCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1
COc1ccc(OC)c(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccc(F)cc3)CC2)cc1
COc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccccc1
COc1ccc(CN(CCN2CCN(C\C=C\c3ccccc3)CC2)c2ccccn2)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)C(=O)\C=C\c1ccccc1Cl)c1ccc(F)cc1
COc1ccc(CN(CCCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)C(=O)\C=C\c1c(Cl)cccc1Cl)c1ccc(F)cc1
Cc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccccc2)cc1
COc1ccc(OC)c(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1
Fc1ccc(\C=C\CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
C(CN1CCN(CCN(Cc2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1
Cc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccccc1
Fc1ccc(\C=C\CN2CCN(CCOC(c3ccccc3)c3ccc(F)cc3)CC2)cc1
C(CCN(Cc1ccccc1)c1ccccc1)CCN1CCN(CCCc2ccccc2)CC1
C(CCN1CCN(CCCc2ccccc2)CC1)CN(Cc1ccccc1)c1ccccc1
CN(CCN1CCN(CCCc2ccccc2)CC1)CCc1ccccc1
COc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1
Fc1ccc(cc1)C(OCCN1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1)c1ccc(F)cc1
Cc1ccc(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
O=C(CCCN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(Cl)cc1
COc1ccc(cc1)N(CCN1CCN(C\C=C\c2ccccc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(Cl)cc1Cl
Brc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccc(Br)cc2)cc1
C(CN1CCN(C\C=C\c2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1
COc1cccc(c1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1cccc(Br)c1
C(CN(Cc1ccccc1)c1ccccc1)CN1CCN(CCCc2ccccc2)CC1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccccc1
C(CN1CCN(CCN(Cc2ccccc2)c2ccccn2)CC1)Cc1ccccc1
Fc1ccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
C(CN(Cc1ccccc1)c1ccccn1)CN1CCN(CCCc2ccccc2)CC1
O=C(CN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccccc1
Fc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1
C(CN1CCN(C\C=C\c2ccccc2)CC1)N(Cc1ccccc1)c1ccccn1
Fc1ccc(CN(CCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1
COc1ccc(cc1)N(CCN1CCN(CCCc2ccccc2)CC1)Cc1ccccc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
O=C(CCCCN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1
COc1ccc(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Cc1ccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(OCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
O=C(CCCN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccn1
Clc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(Cl)cc1
[H][C@]12[#6]-[#6]-[#6](-[#6][C@]3([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)[C@]4([#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@]([#6](=O)-[#6](-[#6])-[#6])([#6]3=O)[#6]4=O)=[#6][C@]1([H])[#6@H](-[#6]-[#6][C@@]2([#6])[#8]-[#8])-[#6](-[#6])-[#6] |r,c:46,THB:44:43:6.41.12:20.21.27|
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
[H][C@@]1(CCNC1)[C@@H](Oc1ccccc1C)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1cccc(Cl)c1)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1c(Cl)cccc1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)cccc1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccccc1F)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccccc1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@@H](Oc1ccccc1OC)c1ccccc1 |r|
CCN(CC)C(=O)C1(CC1CN)c1ccccc1
[H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(C)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(F)cc(Cl)cc1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)c(F)cc(F)c1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1c(Cl)ccc(Cl)c1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1cc(Cl)cc(Cl)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(cc1OC)[N+]([O-])=O)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1OC)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(F)cccc1F)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1cc(F)cc(F)c1)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(F)cc1F)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccccc1OC)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1cc(Cl)cc(Cl)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1F)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@H](Oc1ccccc1OC)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(F)c(F)cc(F)c1F)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)ccc(Cl)c1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccc(Cl)cc1OC)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccccc1C)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1c(F)c(F)cc(F)c1F)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1ccccc1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1F)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@H](Oc1c(Cl)c(F)cc(F)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1C)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1ccccc1OC)c1ccccc1 |r|
[H][C@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r|
[H][C@@]1(CCNC1)[C@@H](Oc1cccc(Cl)c1)c1ccccc1 |r|
CNC[C@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1 |r|
CNC[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1 |r|
CN1CC(C1)(OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
CN1CC(C1)(OCc1ccccc1)c1ccc(Cl)c(Cl)c1
CN1CC(C1)(OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
CN1CC(C1)(OCc1ccc(Cl)cc1)c1ccccc1
Clc1ccc(COC2(CNC2)c2ccc(Cl)c(Cl)c2)cc1
Clc1ccc(cc1)C1(CNC1)OCc1ccc(Cl)c(Cl)c1
Clc1ccc(COC2(CNC2)c2ccc(Cl)cc2)cc1
Clc1ccc(COC2(CNC2)c2ccccc2)cc1
C(OC1(CNC1)c1ccccc1)c1ccccc1
CN1CC(C1)(OCc1ccccc1)c1ccc(Cl)cc1
CN1CC(C1)(OCc1ccc(Cl)c(Cl)c1)c1ccccc1
Clc1ccc(cc1Cl)C1(CNC1)OCc1ccccc1
Clc1ccc(cc1)C1(CNC1)OCc1ccccc1
CN1CC(C1)(OCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
CN1CC(C1)(OCc1ccc(Cl)cc1)c1ccc(Cl)cc1
Clc1ccc(COC2(CNC2)c2ccc(Cl)c(Cl)c2)cc1Cl
Clc1ccc(COC2(CNC2)c2ccccc2)cc1Cl
CN1CC(C1)(OCc1ccccc1)c1ccccc1
CS(=O)(=O)CC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
COCC(C1CCNCC1)c1ccc(Cl)cc1
COCC(C1CCNCC1)c1ccc(F)c(Cl)c1
CN(C)OC(=O)C(C1CCNCC1)c1ccc(Cl)c(Cl)c1
COC(=O)C(C1CCNCC1)c1ccc(Cl)c(Cl)c1
COC[C@@H](C1CCNCC1)c1ccc(Cl)c(Cl)c1
CC(=O)C(C1CCNCC1)c1ccc(Cl)c(Cl)c1
CCOCC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
CCSCC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
CSCC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
OCC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
CCOC(=O)C(C1CCNCC1)c1ccc(Cl)c(Cl)c1
COCC(C1CCNCC1)c1cccc(Cl)c1
COCC(C1CCNCC1)c1ccc2ccccc2c1
COCC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
CCC(=O)C(C1CCNCC1)c1ccc(Cl)c(Cl)c1
CCCC(=O)C(C1CCNCC1)c1ccc(Cl)c(Cl)c1
COC[C@H](C1CCNCC1)c1ccc(Cl)c(Cl)c1
CC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1CNC(=O)C1c1ccc2ccccc2c1
Clc1ccccc1C1CNC(=O)C1c1ccccc1
Clc1ccc(cc1Cl)C1CNC(=O)C1c1ccccc1
Clc1cccc(c1)C1CNC(=O)C1c1cccc(Cl)c1
Clc1ccc(cc1)C1CNC(=O)C1c1cccc(Cl)c1
Clc1ccc(cc1)C1CNC(=O)C1c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1CNC(=O)C1c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1)C1CNC(=O)C1c1ccc(Cl)cc1
Clc1ccc(cc1)C1C(CNC1=O)c1cccc(Cl)c1
Clc1cccc(c1)C1CNC(=O)C1c1ccccc1
Clc1ccc(cc1Cl)C1CNC(=O)C1c1ccccc1Cl
Clc1cccc(c1)C1CNC(=O)C1c1ccccc1Cl
Clc1ccc(cc1)C1CNC(=O)C1c1ccc2ccccc2c1
Clc1ccc(cc1)C1CNC(=O)C1c1ccccc1
Clc1cccc(c1)C1C(CNC1=O)c1ccc(Cl)c(Cl)c1
Clc1cccc(c1)C1CNC(=O)C1c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C1C(CNC1=O)c1ccccc1Cl
Clc1ccc(cc1)C1CNC(=O)C1c1ccccc1Cl
Clc1ccc(cc1)C1C(CNC1=O)c1ccc(Cl)c(Cl)c1
Clc1cccc(c1)N1CCN(CCCc2ccccc2)CC1
Clc1cccc(c1)N1CCN(CCc2ccccc2)CC1
Clc1ccccc1N1CCN(CCc2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCCc2ccccc2)CC1
Clc1ccccc1N1CCN(CCCc2ccccc2)CC1
C(CN1CCN(CC1)c1ccccn1)Cc1ccccc1
Clc1ccc(cc1)N1CCN(CCc2ccccc2)CC1
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(O)=O)N2C\C=C\I |r|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C\C=C\I |r|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OCCF)N2C\C=C\I |r|
[O-][S+](CCNCCCc1ccccc1)C(c1ccc(Br)cc1)c1ccc(Br)cc1
Cc1ccc(cc1)C([S+]([O-])CC(N)=O)c1ccc(C)cc1
[O-][S+](CCNCCCc1ccccc1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
[O-][S+](CCNCCCc1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1
CCCCNCC[S+]([O-])C(c1ccccc1)c1ccccc1
CNC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1
NC(=O)C[S+]([O-])C(c1cccc(Cl)c1)c1cccc(Cl)c1
NC(=O)C[S+]([O-])C(c1cccc(F)c1)c1cccc(F)c1
NC(=O)C[S+]([O-])C(c1ccccc1)c1cccc(Br)c1
[H][C@]12CC[C@]([H])(C[C@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C(C)=O |r,TLB:9:7:3.2:25|
NCC[S+]([O-])C(c1ccccc1)c1ccccc1
[O-][S+](CC(=O)NCCCc1ccccc1)C(c1ccc(Br)cc1)c1ccc(Br)cc1
NC(=O)C[S+]([O-])C(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
CCCCCCCCCCC[C@@H]1CCN[C@@H](C1)C(=O)NCC(O)CO |r|
Nc1n[nH]c(n1)N1CCC(CC1)N1CCOC[C@@H]1Cc1ccc(Cl)cc1 |r|
c1ccc(cc1)CC(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl
CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O
CO[C@@H](c1ccccc1)C(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4cccnn4
FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc(n1)C(N)=O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(F)cc1 |r|
Cc1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)c(C)s1
Cc1cnc(C[S+]([O-])C(c2ccccc2)c2ccccc2)s1
COc1ccc(cc1)[C@H]([S@+]([O-])Cc1cncs1)c1ccccc1 |r|
CC(C)(C)c1ncc(C[S+]([O-])C(c2ccccc2)c2ccccc2)s1
Cc1ncsc1C[S+]([O-])C(c1ccccc1)c1ccccc1
COc1ncc(C[S+]([O-])C(c2ccccc2)c2ccccc2)s1
Cc1ccc(cc1)C([S+]([O-])Cc1cncs1)c1ccc(C)cc1
[O-][S+](Cc1cncs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
[O-][S@+](Cc1cncs1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
[O-][S@@+](Cc1cncs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r|
[O-][S@@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |r|
[O-][S@@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Cl)cc1 |r|
[O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Cl)cc1 |r|
Cc1ccc(cc1)[C@@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r|
COc1ccc(cc1)[C@@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r|
COc1ccc(cc1)[C@@H]([S@+]([O-])Cc1cncs1)c1ccccc1 |r|
[O-][S@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(Br)cc1 |r|
[O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r|
[O-][S@@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(F)cc1 |r|
[O-][S@@+](Cc1cscn1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r|
[O-][S@@+](Cc1cscn1)[C@@H](c1ccccc1)c1ccc(Br)cc1 |r|
[O-][S@+](Cc1cscn1)[C@@H](c1ccccc1)c1ccc(Br)cc1 |r|
Cc1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)cs1
[O-][S+](Cc1cscn1)C(c1ccccc1)c1ccccc1
CCc1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)cs1
CCCc1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)cs1
Cc1nc(CSC(c2ccccc2)c2ccccc2)cs1
[O-][S+](Cc1cscn1)C(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](Cc1cscn1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
[O-][S+](Cc1csc(n1)C1CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
[O-][S+](Cc1cscn1)C(c1ccccc1)c1ccc(Br)cc1
Cc1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)sc1C
Cc1ccc(cc1)C([S+]([O-])Cc1nccs1)c1ccc(C)cc1
Cc1ccc(cc1)[C@H]([S@+]([O-])Cc1cncs1)c1ccccc1 |r|
[O-][S@@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(Br)cc1 |r|
[O-][S@+](Cc1cscn1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r|
CC(C)c1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)cs1
Cc1ccc(cc1)C([S+]([O-])Cc1cscn1)c1ccc(C)cc1
[O-][S+](Cc1nccs1)C(c1ccccc1)c1ccccc1
Cc1ccc(cc1)[C@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r|
Cc1ccc(cc1)[C@@H]([S@+]([O-])Cc1cncs1)c1ccccc1 |r|
[O-][S+](Cc1csc(Cl)n1)C(c1ccccc1)c1ccccc1
COc1ccc(cc1)C([S+]([O-])Cc1cncs1)c1ccc(OC)cc1
[O-][S@@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(cc1)C(F)(F)F |r|
Cc1nc(C)c(C[S+]([O-])C(c2ccccc2)c2ccccc2)s1
[O-][S@@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(F)cc1 |r|
[O-][S+](Cc1csc(n1)-c1cccs1)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1cncs1)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1cnc(Cl)s1)C(c1ccccc1)c1ccccc1
[O-][S+](Cc1cncs1)C(c1ccc(F)cc1)c1ccc(F)cc1
[O-][S+](Cc1csc(n1)C1CC1)C(c1ccccc1)c1ccccc1
CCCCc1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)cs1
Cc1nc(CC[S+]([O-])C(c2ccccc2)c2ccccc2)cs1
COc1ccc(cc1)C([S+]([O-])Cc1csc(n1)C1CC1)c1ccc(OC)cc1
[O-][S+](Cc1nccs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
[O-][S@@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(cc1)C(F)(F)F |r|
[O-][S@@+](Cc1cncs1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
[O-][S@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |r|
COc1ccc(cc1)[C@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r|
[O-][S@@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r|
[O-][S@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(F)cc1 |r|
[O-][S@+](Cc1cncs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r|
Cc1ncc(C[S+]([O-])C(c2ccccc2)c2ccccc2)s1
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,)|
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(C)C(=O)N(C2=O)c1c(C)cccc1C |t:8|
Fc1ccccc1OCc1cc(OC[C@@H]2CCCN2)no1
Clc1ccccc1OCc1cc(OC[C@@H]2CCCN2)no1
CN(CCOc1cc(COc2ccccc2)on1)CC1CC1
C(Oc1ccccc1)c1cc(no1)N1CCNCC1
CN(CCOc1cc(COc2ccccc2)on1)C1CCCCC1
CN1[C@H](CCc2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
Clc1ccccc1CCN1CCN(CCc2ccccc2Cl)CC1
COc1ccccc1CCN1CCN(CCc2ccccc2)CC1
COc1ccccc1CCN1CCN(CCc2ccccc2OC)CC1
Clc1cccc(N2CCN(CCn3nnnc3C(c3ccccc3)c3ccccc3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCn3nnnc3C(c3ccccc3)c3ccccc3)CC2)c1Cl
Clc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
C(CN1CCN(CC1)c1ccccc1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Fc1ccc(cc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)C(F)(F)F
COc1ccccc1N1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
C(CN1CCN(CC1)c1ncccn1)Cn1nnnc1C(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ccccn1
COc1ccccc1N1CCN(CCCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Cc1ccc(cc1)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(CC1)c1ncccn1
C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(CC1)c1ccccn1
FC(F)(F)c1ccc(cc1)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Fc1cccc(c1)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Fc1ccc(cc1)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Brc1ccc(cc1)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Fc1cc(Cl)ccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Fc1ccc(N2CCN(CCCn3nnnc3C(c3ccccc3)c3ccccc3)CC2)c(F)c1
Clc1ccc(N2CCN(CCCn3nnnc3C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1
C(CN1CCN(CC1)c1ccccn1)Cn1nnnc1C(c1ccccc1)c1ccccc1
Clc1ccc(cc1)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Cc1cccc(C)c1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Fc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Clc1cccc(c1)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ncccn1
FC(F)(F)c1cccc(c1)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Clc1ccc(cc1Cl)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
Clc1cccc(N2CCN(CCCn3nnnc3C(c3ccccc3)c3ccccc3)CC2)c1Cl
COc1ccc(cc1)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
CCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
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
COc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
COc1ccc(F)c2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
COc1c(F)ccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
COc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
COc1c(F)c(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
[2H]C([2H])([2H])Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
CC(C)Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(OC3CCOC3)cccc12)C#N
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCOCC1)C#N
NC[C@H]1C[C@@H]1c1c2CCOc2ccc1OCC=C
NC[C@H]1C[C@@H]1c1c2CCOc2ccc1OCCF
NC[C@H]1C[C@@H]1c1c(OCC=C)ccc2occc12
NC[C@H]1C[C@@H]1c1c(OCCF)ccc2occc12
CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1
CCc1cc2c([C@H]3C[C@@H]3CN)c(OCC=C)ccc2o1
CC(C)(CO)n1cc(c2c1nc(nc2)N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cn4)Cl
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)C[S@+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
NC(=O)C[S@@+]([O-])C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CNC(=O)C1COCCO1
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CNC(=O)C1CCCO1
[2H]C([2H])([2H])OCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
CC(C)OCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
CCOCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
COC(C)(C)C(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
COC(C)C(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
COCCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
COCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
COCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CNC(=O)c1ccccc1
CCCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
CCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
C(COc1cc(COc2ccccc2)on1)NC1CCC1
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCC)cc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
Fc1ccc(cc1)C(CCCCNC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(CCCCNC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(F)cc1
CC(=O)Nc1cc(NC(=O)NCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)ccc1Cl
Cc1ccc(NC(=O)NCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1C
Cc1cc(Cl)ccc1NC(=O)NCCCCC(c1ccc(F)cc1)c1ccc(F)cc1
Cc1ccc(cc1)C(CCCCNC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1
COc1ccc(cc1)C(CCCCNC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1
COc1ccc(cc1)C(CCCCNC(=O)Nc1ccc(Cl)c(c1)[N+]([O-])=O)c1ccc(OC)cc1
Fc1ccc(cc1)N(CCCCNC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCCNC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(F)cc1
Fc1ccc(cc1)C(CCCNC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(F)cc1
Fc1ccc(cc1)C(CCCCCNC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(F)cc1
CN(CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Fc1ccc(cc1)C(CCCCNC(=O)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(F)cc1
Fc1ccc(cc1)C(C1CCN(CC1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(F)cc1
N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 |r|
CCCCCOc1ccc(cc1)-c1nnn(C[C@H](N)CC(O)=O)n1 |r|
N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(OCCc2ccccc2)cc1 |r|
C[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1nnn(C[C@@H](N)CC(O)=O)n1 |r|
N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(COCc2ccccc2)cc1 |r|
N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(cc2)-c2ncco2)cc1 |r|
N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2nc3ccccc3s2)cc1 |r|
N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2nc3ccccc3s2)cc1 |r|
N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cn2)cc1 |r|
N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r|
N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r|
Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 |r|
CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccc(Cl)c(Cl)c1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccc(Cl)c(Cl)c1 |r|
CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccc(Cl)c(Cl)c1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r|
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@]([H])(C[C@@H](C1)c1nc3c(Nc4ccc(Cl)c(Cl)c4)nc4ccccc4c3[nH]1)C2 |r|
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCN(C([2H])([2H])[2H])C(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCNC(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3cccc(c3)C(CCNC)Oc3ccccc3OC)c3ccc(cc3oc2c1)=[N+](CC)CC |(-8.01,9.63,;-8.01,11.17,;-6.68,11.94,;-6.68,13.48,;-8.01,14.25,;-5.34,11.17,;-5.34,9.62,;-4,8.85,;-2.67,9.62,;-1.32,8.85,;-1.32,7.31,;-2.66,6.53,;-2.65,4.99,;-1.32,4.23,;.01,5,;.01,6.54,;1.34,7.31,;2.68,6.54,;2.12,8.64,;.58,8.64,;-1.32,2.69,;-2.87,2.69,;-2.1,1.36,;.01,1.92,;1.34,2.69,;2.68,1.92,;2.68,.38,;4.01,-.39,;4.01,-1.93,;5.34,-2.7,;6.68,-1.93,;5.34,-4.24,;6.68,-5.01,;6.68,-6.55,;8.01,-7.32,;8.01,-8.85,;6.68,-9.62,;5.35,-8.86,;5.34,-7.32,;4.01,-9.63,;2.68,-8.86,;1.35,-9.63,;.01,-8.86,;-1.32,-9.63,;4.01,-11.17,;2.68,-11.94,;1.34,-11.17,;.01,-11.94,;.02,-13.48,;1.35,-14.25,;2.68,-13.48,;4.01,-14.25,;5.35,-13.48,;.01,9.63,;1.35,8.86,;2.68,9.64,;2.67,11.17,;1.34,11.94,;.01,11.17,;-1.33,11.94,;-2.67,11.17,;-4,11.94,;4.01,11.94,;4.01,13.48,;2.67,14.25,;5.34,11.17,;5.34,9.63,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCNCCCC3(OC(C)(C)c4ccccc34)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.51,6.61,;-13.51,8.15,;-12.18,8.92,;-12.18,10.46,;-13.51,11.23,;-10.84,8.15,;-10.84,6.6,;-9.5,5.83,;-8.17,6.61,;-6.82,5.83,;-6.82,4.29,;-8.16,3.52,;-8.15,1.98,;-6.82,1.21,;-5.49,1.98,;-5.49,3.52,;-4.15,4.29,;-2.82,3.52,;-3.38,5.63,;-4.92,5.63,;-6.82,-.33,;-8.37,-.33,;-7.6,-1.66,;-5.49,-1.09,;-5.49,-2.63,;-4.16,-3.4,;-4.16,-4.94,;-2.82,-5.71,;-2.82,-7.25,;-1.49,-8.02,;-1.49,-9.56,;-.16,-7.25,;1.18,-8.02,;2.51,-7.25,;3.84,-8.02,;5.18,-7.25,;6.51,-8.02,;7.85,-7.25,;9.18,-8.02,;9.51,-9.52,;11.05,-9.69,;11.05,-11.23,;12.38,-10.46,;11.67,-8.32,;13.17,-7.85,;13.51,-6.32,;12.36,-5.26,;10.86,-5.73,;10.51,-7.25,;9.18,-6.48,;7.85,-5.71,;7.85,-4.18,;9.18,-3.41,;10.51,-4.17,;10.52,-5.71,;-5.49,6.61,;-4.15,5.84,;-2.82,6.62,;-2.83,8.15,;-4.16,8.92,;-5.49,8.15,;-6.83,8.93,;-8.17,8.15,;-9.5,8.93,;-1.49,8.92,;-1.49,10.46,;-2.83,11.23,;-.16,8.15,;-.16,6.61,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3ccc4c(c3)C(C)(C)OC4(CCCNC)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.21,5.78,;-13.21,7.32,;-11.88,8.09,;-11.88,9.63,;-13.21,10.4,;-10.54,7.32,;-10.54,5.77,;-9.2,5,;-7.87,5.77,;-6.52,5,;-6.52,3.46,;-7.86,2.68,;-7.85,1.14,;-6.52,.38,;-5.19,1.15,;-5.19,2.69,;-3.86,3.46,;-2.52,2.69,;-4.62,4.79,;-3.08,4.79,;-6.52,-1.16,;-8.07,-1.16,;-7.3,-2.49,;-5.19,-1.93,;-5.19,-3.47,;-3.86,-4.24,;-3.86,-5.78,;-2.52,-6.55,;-2.52,-8.09,;-1.19,-8.86,;-1.19,-10.4,;.14,-8.09,;1.48,-8.86,;2.81,-8.09,;2.81,-6.55,;4.14,-5.78,;5.48,-6.55,;5.48,-8.09,;4.15,-8.86,;6.93,-8.54,;6.53,-10.03,;8.02,-9.63,;7.84,-7.3,;6.97,-6.09,;8.06,-4.99,;9.55,-5.39,;10.64,-4.3,;12.12,-4.7,;13.21,-3.61,;6.57,-4.6,;5.08,-4.2,;4.69,-2.72,;5.77,-1.63,;7.26,-2.02,;7.66,-3.5,;-5.19,5.78,;-3.85,5.01,;-2.52,5.79,;-2.53,7.32,;-3.86,8.09,;-5.19,7.32,;-6.53,8.09,;-7.87,7.32,;-9.2,8.09,;-1.19,8.09,;-1.19,9.63,;-2.53,10.4,;.14,7.32,;.14,5.78,)|
O[C@H]1CC[C@@H](CC1)n1cnc2n(Cc3ccccc3)c(c(-c3ccccc3)c2c1=N)-c1ccccc1 |wU:4.7,wD:1.0,(20.99,-11.86,;22.33,-11.09,;23.66,-11.86,;25,-11.09,;25,-9.55,;23.66,-8.78,;22.33,-9.55,;26.33,-8.78,;26.33,-7.24,;27.66,-6.47,;29,-7.24,;30.46,-6.76,;30.94,-5.3,;29.91,-4.15,;30.38,-2.69,;29.35,-1.55,;27.85,-1.87,;27.37,-3.33,;28.4,-4.47,;31.37,-8.01,;30.46,-9.26,;30.94,-10.72,;32.44,-11.04,;32.92,-12.5,;31.89,-13.65,;30.38,-13.33,;29.91,-11.86,;29,-8.78,;27.66,-9.55,;27.66,-11.09,;32.91,-8.01,;33.68,-6.68,;35.22,-6.68,;35.99,-8.01,;35.22,-9.34,;33.68,-9.34,)|
[2H]C([2H])([2H])[C@@]([2H])(NC(C)(C)C)C(=O)c1cccc(Cl)c1 |r|
[2H]C([2H])([2H])[C@]([2H])(NC(C)(C)C)C(=O)c1cccc(Cl)c1 |r|
[2H]C([2H])([2H])C(N[C@]([2H])(C)C(=O)c1cccc(Cl)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H] |r|
[2H]C([2H])([2H])C(N[C@@]([2H])(C)C(=O)c1cccc(Cl)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H] |r|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)OC)N2C |r|
[H][C@@]12CC[C@@]([H])(O1)[C@H]([C@H](C2)c1ccc(Cl)c(Cl)c1)C(=O)OC |r|
Oc1cccc(N2[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)c1
c1ccc2c(CCC3NCCc4cc5c(cc43)OCO5)c[nH]c2c1
C[C@H](c1ccc(F)c(F)c1)n1cnc2sc3c(c2c1=O)CCNC3
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)CN1CCCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)CN1CCCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
OC(Cc1ccccc1)CN1CCCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
[O-][S+](CCN1CCCN(CC(O)Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
COc1ccc(CC(O)CN2CCCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
COc1ccc(CC(O)CN2CCCN(CC[S+]([O-])C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
OC(Cc1ccc(F)cc1)CN1CCCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
[O-][S+](CCN1CCCN(CC(O)Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(O)CN1CCC(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)CN1CCC(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[C@H](O)CN1CCC(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[C@H](O)CN1CCC(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[C@@H](O)CN1CCC(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
C[C@@H](O)CN1CCC(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
OC(Cc1ccccc1)CN1CCC(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
[O-][S+](CCC1CCN(CC(O)Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
COc1ccc(N2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
COc1ccc(N2CCN(CC[S+]([O-])C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(C(SCCN2CCN(c3ccncc3)CC2)c2ccc(F)cc2)cc1
[O-][S+](CCN1CCN(c2ccncc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(C(SCCN2CCN(c3ncccn3)CC2)c2ccc(F)cc2)cc1
[O-][S+](CCN1CCN(c2ncccn2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
Fc1ccc(C(SCCN2CCCN(c3ncccn3)CC2)c2ccc(F)cc2)cc1
[O-][S+](CCN1CCCN(c2ncccn2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
CC(F)CN1[C@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]1C
CC(F)CN1[C@H](C)CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]1C
CCCCN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2
c1cc(c(cc1CCN)O)O
NC(=O)c1cc2cc(N3CCN(CCc4ccc5ccc(=O)[nH]c5c4)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5[nH]c(=O)ccc5c4)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)NC(=O)CC5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)CCC(=O)N5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4cc5c(cc4F)OCC(=O)N5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5c(c4)CC(=O)N5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4cc5c(cc4F)NC(=O)C5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5[nH]c(=O)oc5c4)CC3)ccc2o1
Cn1c(=O)oc2cc(CCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)ccc21
NC(=O)c1cc2cc(N3CCN(CCc4cccc5c4CC(=O)N5)CC3)ccc2o1
CC(=O)Nc1nc2ccc(CCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)cc2s1
NC(=O)c1cc2cc(N3CCN(CCc4ccc5nc(N)sc5c4)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCCc4ccc5c(c4)CC(=O)N5)CC3)ccc2o1
NC(=O)c1cc2cc(N3CCN(CCCc4ccc5c(c4)CCC(=O)N5)CC3)ccc2o1
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CF)[C@H]1O
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|
c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6