203 SMILES Strings for Beta-1/Beta-2/Beta-3 adrenergic receptor

Compound Name
SMILES String
COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:20.21.22,26:21:28:27.25.24|
CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F
CC(C)(C)NCC(O)COc1ccc(O)c(O)c1
CC(C)NCC(O)c1ccc(O)c(O)c1
Oc1ccc2c(c1)[nH]c(=O)n(CCN1CCC(CC1)C(=O)c1ccc(F)cc1)c2=O
CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C
Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
NCC(O)c1ccc(O)c(O)c1F
NCC(O)c1ccc(O)c(O)c1
NCC(O)c1cc(O)c(O)c(F)c1
NCC(O)c1cc(O)c(O)cc1F
CC(C)(C)N(CCNCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12)Cc1ccccc1 |r|
CC(C)(C)NCC(O)COc1cccc2CC=CCc12 |c:16|
COc1ccccc1N1CCN(CC(O)COc2cccc3C[C@@H](O)[C@@H](O)Cc23)CC1 |r|
CO[C@H]1Cc2cccc(OCC(O)CNC(C)(C)C)c2C[C@H]1OC
CCCCNCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |r|
CC(C)(Cc1ccccc1)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |r|
COc1cc(CC=C)ccc1OCCNCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |r|
CC(C)(C)CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |r|
C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)n(C)c2ccccc12
CCCN(CCC)C(=O)\C=C\c1c([nH]c2ccccc12)-c1ccc(Cl)cc1
CCCCN(CCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
O=C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1
O=C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCC1
CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1
CCCN(CCC)C(=O)CCc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
CCCN(CCC)C(=O)Cc1c2-c3ccccc3CCCn2c2ccccc12
CCCN(CCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12
CCCCCN(CCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
O=C1Cc2c([nH]c3cccc(N1)c23)-c1ccccc1
CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12
CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
CCCCCCN(C)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
CCCCCCCCN(CCCCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
CN(C)C(=O)Cc1c([nH]c2ccc(C)cc12)-c1ccc(C)cc1
CN(C)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
CCCN(CCC)C(=O)Cc1c([nH]c2c(F)cccc12)-c1ccccc1
CCCN(CCC)C(=O)Cc1c([nH]c2cc(F)ccc12)-c1ccccc1
CCCN(CCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
CCCCCCN(CCCCCC)C(=S)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
CCCCCCCCCCCCCCCCCCNC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
Fc1ccc(cc1)-c1[nH]c2ccccc2c1CC(=O)Nc1ccccc1Br
CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1cccs1
CCCCCCNC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(Br)cc1
CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(I)cc1
CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
CCCCCCCCCCNC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
C(C1=NCCN1)c1c([nH]c2ccccc12)-c1ccccc1 |t:1|
CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
CCCN(CCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1cccs1
CCCN(CCC)C(=O)Cc1cn(Cc2ccc(Br)cc2)c2ccccc12
CCN(CC)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
CCCN(CCC)C(=O)Cc1c([nH]c2ccc(C)cc12)-c1ccc(C)cc1
CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1cccc(Cl)c1
CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccccc1
CCCCCCN(CCCCCC)CCc1c([nH]c2ccccc12)-c1ccc(F)cc1
O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
CCCN(CCC)C(=O)C(C)c1c([nH]c2ccccc12)-c1ccc(Cl)cc1
CCCCCCNC(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(Cl)cc1
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2cc(F)ccc2F)cc1
O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NC2CCCCC2)cc1)COc1ccc(O)cc1
COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C
Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8|
Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1 |c:13|
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13|
COCCc1ccc(OCC(O)CNC(C)C)cc1
COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1
COCCc1ccc(OC(F)(F)[C@H](O)CNC(C)C)cc1
COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
OCCN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
OCCCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
CNC[C@@H](c1ccc(c(c1)O)O)O
CNCC(O)c1cc(O)c(O)cc1F
CNCC(O)c1ccc(O)c(O)c1F
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
CN(C)CCCOc1cccc2ccccc12
CCCCN(CCCC)CCOc1cccc2ccccc12
CN(C)CCOc1cccc2ccccc12
CCCCN(CC)CCOc1cccc2ccccc12
CCCN(C)CCOc1cccc2ccccc12
CCCCN(CCCC)CCCOc1cccc2ccccc12
CC(=O)Nc1ccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)cc1
COCCc1ccc(OCC(O)CN2CCN(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
Cc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1
CS(=O)(=O)Nc1ccc(CNCC(O)COc2ccccc2)cc1
OC(CNCCOc1ccc(cc1)-n1ccnc1)CONC(C1CC1)C1CC1
COc1ccc(OCC(O)CNCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
CS(=O)(=O)Nc1ccc(cc1)C(=O)NCCNCC(O)COc1cccc2ccccc12
CS(=O)(=O)Nc1ccc(cc1)C(=O)NC1CCCCC1NCC(O)COc1ccccc1
CS(=O)(=O)Nc1ccc(cc1)C(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1
CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC(O)COc2cccc3C(=O)CCCc23)CC1
CS(=O)(=O)Nc1ccc(cc1)C(=O)NCCNCC(O)COc1ccccc1C#N
CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
CS(=O)(=O)Nc1ccc(cc1)C(=O)N1CCN(CC(O)COc2ccccc2)CC1
CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1
CS(=O)(=O)Nc1ccc(OCC(O)CNCCNC(=O)c2ccc(cc2)-n2ccnc2)cc1
OC(CNCCOc1ccc(cc1)-n1ccnc1)COc1ccccc1
COCCc1ccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)cc1
OC(CNCCNC(=O)c1ccc(cc1)-n1ccnc1)COc1cccc2ccccc12
CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC(O)COc2ccccc2)CC1
COCCc1ccc(OCC(O)CNCCNC(=O)c2ccc(cc2)-n2ccnc2)cc1
Cc1cccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)c1
CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC(O)CONC(C2CC2)C2CC2)CC1
CS(=O)(=O)Nc1ccc(cc1)C(O)CNCCOc1ccc(cc1)-n1ccnc1
COc1ccc(OCC(O)CNCCNC(=O)c2ccc(cc2)-n2ccnc2)cc1
Cc1cccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)c1
CS(=O)(=O)Nc1ccc(cc1)C(=O)NCCNCC(O)COc1ccccc1
COc1ccccc1C(O)CNCCOc1ccc(cc1)-n1ccnc1
COCCc1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1
Cc1ccccc1OCC(O)CN1CCN(CC1)c1ccc(NS(C)(=O)=O)cc1
Cc1ccccc1OCC(O)CNCc1ccc(cc1)-n1ccnc1
COCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1
OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2 |wU:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
[H]C12CN3C[C@]1(NC(=O)c1cc(Cl)c(N)cc1OC)C2CC3 |r|
COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCC1C2 |TLB:12:13:20:18.17|
CC(C)n1c2ccccc2n(C(=O)CC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18,THB:22:21:14.20.15:17.18|
COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
NCC(O)c1c(F)cc(O)c(O)c1F
c1cc(c(cc1[C@H](CN)O)O)O
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21|
COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2 |TLB:14:15:19.20.18:22,13:14:20:17.18.22,THB:16:15:20:17.18.22,16:17:15.14.23:20,14:19:15.23.16:22,(-1.58,-4.14,;-1.58,-2.61,;-2.91,-1.83,;-4.24,-2.61,;-5.57,-1.83,;-6.92,-2.61,;-5.57,-.29,;-6.9,.48,;-4.24,.48,;-2.91,-.29,;-1.58,.49,;-1.59,2.04,;-.25,-.26,;1.08,.49,;2.43,-.26,;4.02,.44,;5.42,-.05,;6.33,1.04,;4.81,.48,;3.32,1.02,;3.25,2.53,;4.8,3.07,;6.26,2.56,;4.01,1.86,)|
COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CC1CN(C3)C2 |TLB:12:13:17:20.19.21,22:20:13.14.15:17,THB:21:20:13:16.15.17,21:16:13:20.19.22,22:14:17:20.19.21,(8.67,-11.69,;8.67,-10.15,;7.33,-9.38,;5.99,-10.15,;4.66,-9.38,;3.32,-10.15,;4.66,-7.83,;3.33,-7.06,;5.99,-7.05,;7.33,-7.82,;8.66,-7.05,;8.66,-5.5,;10.01,-7.81,;11.34,-7.04,;12.54,-5.76,;13.85,-6.25,;15.25,-5.9,;14.24,-7.18,;12.84,-6.62,;12.82,-5.01,;13.87,-3.79,;15.27,-4.37,;12.52,-4.26,)|
CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
CCOC(=O)c1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
CCOC(=O)CCc1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
CCOC(=O)CCc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
CCOC(=O)CCc1ccc2CC[C@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
CCOC(=O)c1oc2cccc(OCCCNC(C)C)c2c1C
CC(C)NC[C@@H](COc1ccccc1CC=C)O
CCOC(=O)c1oc2cccc(OCCCNC(C)(C)C)c2c1C
CCOC(=O)c1oc2cccc(OCC(O)CNC(C)(C)C)c2c1C
CCOC(=O)c1c(c2c(o1)cccc2OC[C@H](CNC(C)C)O)C
COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
COc1cc(CC2NCCc3cc(O)c(O)cc23)ccc1O
[H][C@@]1(Cc2ccc(OC)c(O)c2)NCCc2cc(OC)c(O)cc12
Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O
COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC
Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
[H][C@]1(Cc2ccc(OC)c(O)c2)NCCc2cc(OC)c(O)cc12
COc1cc2CCNC(Cc3ccc(O)c(O)c3)c2cc1O
COc1ccc(CC2NCCc3cc(OC)c(O)cc23)cc1O
c1cc(c(cc1C[C@H]2c3cc(c(cc3CCN2)O)O)O)O
OC(=O)C1(Cc2ccc(O)c(O)c2)NCCc2cc(O)c(O)cc12
COc1cc(CC2(NCCc3cc(O)c(O)cc23)C(O)=O)ccc1O
Oc1cc(Br)c(CC2NCCc3cc(O)c(O)cc23)cc1O
CC(Oc1ccc(C)c(C)c1)C(O)CNC(C)(C)C
CC(C)NCC(O)C(C)Oc1ccc2ccccc2c1
CC(Oc1ccccc1CC=C)C(O)CNC(C)(C)C
CCc1ccc(OC(C)C(O)CNC(C)(C)C)cc1
CC(C)NCC(O)C(C)Oc1ccccc1CC=C
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
CC(Oc1ccc2ccccc2c1)C(O)CNC(C)(C)C
CC(C)NCC(O)C(C)Oc1ccc(Cl)c(Cl)c1
CC(C)NCC(O)C(C)Oc1ccc(C)c(C)c1
CCc1ccc(OC(C)C(O)CNC(C)C)cc1
CC(Oc1ccccc1)C(O)CNC(C)(C)C
CNCC(c1ccc(O)c(O)c1)S(O)(=O)=O
CC(C)NCC(c1ccc(O)c(O)c1)S(O)(=O)=O
NCC(c1ccc(O)c(O)c1)S(O)(=O)=O
CC(C)NCC(O)c1ccc(O)c(O)c1F
CNC[C@H](O)c1cccc(O)c1 |r|
CC(C)NCC(O)c1cc(O)c(O)c(F)c1
CC(C)NCC(O)c1cc(O)c(O)cc1F
CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C |(13.93,-2.74,;12.84,-3.85,;13.26,-5.32,;14.34,-4.24,;15.41,-3.15,;15.02,-1.65,;16.9,-3.54,;17.3,-5.04,;11.37,-3.44,;10.1,-3.86,;8.48,-3.25,;7.73,-4.59,;7.12,-5.53,;8.9,-4.17,;10.6,-4.79,;7.32,-2.45,;5.78,-2.42,;5.05,-1.07,;5.52,.48,;3.51,-1.04,;2.71,-2.35,;1.17,-2.32,;.36,-3.66,;-1.18,-3.6,;-1.91,-2.26,;-1.09,-.94,;.43,-.97,;1.23,.34,;.49,1.69,;-1.05,1.72,)|
CC(C)(NCC(O)COc1ccccc1CC=C)C1CCC(C)(CC1)NC(=O)CBr |(7.44,-1.49,;8.18,-2.83,;9.25,-3.91,;7.38,-4.15,;5.84,-4.12,;5.1,-2.77,;5.56,-1.2,;3.56,-2.73,;2.76,-4.04,;1.22,-4.01,;.42,-5.34,;-1.12,-5.3,;-1.86,-3.95,;-1.05,-2.63,;.48,-2.66,;1.28,-1.35,;.55,,;-.99,.03,;8.76,-1.38,;9.72,-2.87,;11.65,-2.03,;13.03,-2.45,;14.37,-1.67,;12.07,-.94,;10.24,-1.77,;14.12,-3.53,;15.54,-2.64,;15.46,-1.2,;16.74,-3.35,;17.94,-2.64,)|
CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N |(2.48,-10.11,;2.5,-8.58,;2.48,-7.04,;4.04,-8.58,;4.82,-9.89,;4.04,-11.23,;6.35,-9.89,;7.12,-11.23,;.97,-8.58,;-.26,-7.82,;-2.36,-8.12,;-2.89,-6.42,;-4.43,-6.42,;-1.56,-7.19,;.41,-6.89,;-2.89,-4.88,;-4.23,-4.12,;-5.56,-4.91,;-6.9,-4.14,;-5.54,-6.44,;-6.88,-7.21,;-6.86,-8.76,;-8.2,-9.52,;-8.2,-11.06,;-6.86,-11.83,;-5.53,-11.06,;-4.19,-11.83,;-2.84,-11.03,;-2.86,-9.49,;-5.53,-9.52,;-1.46,-11.85,;-.07,-12.65,)|
CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]ccc12 |(2.66,-6.58,;2.67,-5.04,;2.66,-3.5,;4.21,-5.04,;4.98,-6.36,;4.21,-7.7,;6.52,-6.36,;7.29,-7.7,;1.13,-5.04,;-.1,-4.28,;-2.18,-4.57,;-2.72,-2.89,;-4.26,-2.89,;-1.4,-3.66,;.59,-3.34,;-2.72,-1.35,;-4.06,-.56,;-5.39,-1.36,;-6.73,-.59,;-5.38,-2.9,;-6.73,-3.67,;-6.71,-5.21,;-8.04,-5.98,;-8.04,-7.52,;-6.71,-8.29,;-5.38,-7.52,;-4.03,-8.29,;-2.68,-7.51,;-2.68,-5.95,;-5.38,-5.98,)|
CC(C)(NCC(O)COc1cccc2[nH]ccc12)C1CCC(C)(CC1)NC(=O)CBr |(-2.37,-8.18,;-2.35,-6.59,;-1.58,-5.2,;-3.94,-6.59,;-5.26,-5.83,;-6.58,-6.59,;-7.91,-5.83,;-6.57,-8.12,;-7.9,-8.88,;-7.9,-10.42,;-9.2,-11.18,;-9.2,-12.71,;-7.9,-13.47,;-6.57,-12.71,;-5.23,-13.46,;-3.89,-12.68,;-3.9,-11.16,;-6.57,-11.18,;-.76,-6.59,;.44,-6.16,;2.19,-6.79,;2.99,-5.43,;4.58,-5.43,;1.69,-5.86,;.01,-5.2,;3.41,-3.88,;4.94,-3.48,;6.05,-4.61,;5.36,-1.96,;6.89,-1.55,)|
CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr |(-2.34,-8.06,;-2.31,-6.5,;-1.55,-5.13,;-3.88,-6.5,;-5.18,-5.75,;-6.49,-6.5,;-7.79,-5.75,;-6.48,-8,;-7.78,-8.75,;-7.78,-10.27,;-9.06,-11.02,;-9.06,-12.53,;-7.78,-13.28,;-6.48,-12.53,;-5.15,-13.27,;-3.84,-12.5,;-3.85,-11,;-6.48,-11.02,;-2.48,-13.28,;-1.13,-14.06,;-.75,-6.5,;.43,-6.07,;2.16,-6.69,;2.95,-5.35,;4.51,-5.35,;1.66,-5.77,;.01,-5.13,;3.36,-3.83,;4.87,-3.43,;5.97,-4.54,;5.28,-1.93,;6.79,-1.53,)|
C[n+]1ccn(CC(O)c2ccc(NS(C)(=O)=O)cc2)c1
OC(CNC1CC1)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
CC(C)NCC(O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
CC(C)(C)NCC(O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
CCCNCC(O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
CCCCNCC(O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
CC(C)(Cc1ccc(NC(=O)CBr)cc1)NCC(O)c1ccc(O)c2nc(O)ccc12
CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2nc(O)ccc12
CC(C)(Cc1ccc(N)cc1)NCC(O)c1ccc(O)c2nc(O)ccc12
CC(C)(Cc1ccc(I)cc1)NCC(O)c1ccc(O)c2nc(O)ccc12
CC(C)(C)NCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
CC(C)NCC(O)COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
CCCNCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
CCNCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
OC(CNC1CCCCC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
CC(C)NCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
CC(C)NCC(O)COc1cccc2c1oc(cc2=O)-c1ccccc1
OC(CNC1CC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
CC(C)NCC(O)COc1ccc2c(c1)oc(C)cc2=O