143 SMILES Strings for Solute carrier family 22 member 2
Compound Name
SMILES String
C1CN(CCN1)c1ccc2ccccc2n1
CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1 |r|
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |@:19,@@:9|
CC(C)C(C(O)CC[N+]1(C)CCCCC1)c1ccccc1
CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
CC(C)N1\C(=C/c2cc[n+](C(C)C)c3ccccc23)C=Cc2ccccc12 |c:21|
CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12|
CC(COc1ccccc1)N(CCCl)Cc1ccccc1
CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
CC1C[C@@H]2C[C@H]1OC1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |THB:8:7:1.2:4,29:31:1.2:4,0:1:7.6.31:4|
CC1C[C@@H]2C[C@H]1O[C@H]1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |r,TLB:29:31:2.1:4,0:1:7.31.6:4|
CC1C[C@H]2C[C@@H]1O[C@@H]1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |r,TLB:0:1:7.31.6:4,THB:29:31:1.2:4|
CCCCC[N+](CCCCC)(CCCCC)CCCCC
CCCC[N+](CCCC)(CCCC)CCCC
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
CCC[N+](CCC)(CCC)CCC
CCN(CC)CCNC(=O)c1ccc(N)cc1
CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1
CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19|
CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r|
CC[N+](CC)(CC)CC
CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 |c:9,t:6|
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 |r|
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
CN(C)CCCN1c2ccccc2CCc2ccccc12
CN(C)CCOC(c1ccccc1)c1ccccc1
CN(C)CCOC(c1ccccc1)c1ccccc1C
CN(CCCl)C1c2ccccc2-c2ccccc12
CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
CN1CCC[C@H]1c1cccnc1 |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCc2c(Cl)c(O)c(O)cc2[C@@H](C1)c1cccc(C)c1 |r|
CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r|
CNC(=O)c1cccnc1
CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|
CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
CNCCCN1c2ccccc2CCc2ccccc12
CNC[C@H](O)c1ccc(O)c(O)c1 |r|
CN\C(NCCSCc1ccc(CN(C)C)o1)=C/[N+]([O-])=O
COc1c2C(=O)N3[C@@H]4CC[C@@H](C4)O[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r,TLB:4:6:8.9:11|
COc1c2C(=O)N3[C@H](C)CCO[C@H]3Cn2cc(C(=O)NC2(CC2)c2ccc(F)cc2F)c1=O |r|
COc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r|
COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1
COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
COc1cc(ccc1O)C(O)CNC(C)C
COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4 |r|
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
COc1ccc(cc1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OC
COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3c(OC)c12
COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |THB:20:19:12.13:16.15,10:12:19.18:16.15|
COc1ccc2nccc([C@H](O)C3CC4CCN3CC4C=C)c2c1 |TLB:10:12:18.19:16.15,20:19:12.13:16.15|
COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
C[C@@H](NC(=O)c1cn2C[C@@H]3O[C@H]4CC[C@H](C4)N3C(=O)c2c(O)c1=O)c1ccc(F)cc1F |THB:8:9:12.13:15,17:16:12.13:15|
C[C@@H](NC(=O)c1cn2C[C@H]3[C@@H]4CC[C@@H](C4)N3C(=O)c2c(O)c1=O)c1c(F)cc(F)cc1F |THB:8:9:12.11:14,16:15:12.11:14|
C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NC4(CC4)c4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12
C[C@H](NC(=O)c1cn2C[C@@H]3O[C@H]4CC[C@H](C4)N3C(=O)c2c(O)c1=O)c1ccc(F)cc1F |THB:8:9:12.13:15,17:16:12.13:15|
C[C@H]1C[C@@H]2C[C@H]1N1[C@H]2Cn2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O |TLB:0:1:7.6:4,THB:8:7:1.2:4,30:6:1.2:4|
C[C@H]1C[C@@H]2C[C@H]1N1[C@H]2Cn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |TLB:0:1:7.6:4,THB:8:7:1.2:4,29:6:1.2:4|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C |r|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:9|
C[N+](C)(C)C
C[N+](C)(C)CCO
C[n+]1ccc(cc1)-c1ccccc1
Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N
Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1
Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1
Cn1c(NCCN(CCO)CCCc2ccc(cc2)[N+]([O-])=O)cc(=O)n(C)c1=O
Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
NC(=N)N=C(N)NCCc1ccccc1 |w:3.2|
NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
NC(=N)Nc1ccc(Br)cc1
NC(=N)Nc1ccc(Cc2ccccc2)cc1
NC(=N)Nc1ccc(F)cc1
NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
NC(N)=N
NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5|
NC12CC3CC(CC(C3)C1)C2 |THB:6:5:2:8.7.9,6:7:4.5.10:2,9:7:4:10.1.2,9:1:4:8.6.7,0:1:4:8.6.7|
NC1=NCC2N1c1ccccc1Cc1ccccc21 |t:1|
NCCc1c[nH]c2ccc(O)cc12
NCCc1ccc(O)c(O)c1
NCCc1cnc[nH]1
NC[C@H](O)c1ccc(O)c(O)c1 |r|
N[Pt](N)(Cl)Cl
Nc1c2CCCCc2nc2ccccc12
Nc1ccc(cc1)C(=O)NCC([O-])=O
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
OC(=O)CCC(=O)C(O)=O
OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
Oc1c2C(=O)N3C4CC(C4)C3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |(7.23,3.85,;7.23,2.31,;5.89,1.54,;4.56,2.31,;4.56,3.85,;3.23,1.54,;1.76,2.02,;.86,.77,;1.76,-.48,;2.07,.77,;3.23,,;4.56,-.77,;5.89,,;7.23,-.77,;8.56,,;9.89,-.77,;11.23,,;9.89,-2.31,;11.23,-3.08,;11.23,-4.62,;9.89,-5.39,;8.56,-4.62,;9.89,-6.93,;11.23,-7.7,;11.23,-9.24,;12.56,-6.93,;12.56,-5.39,;13.9,-4.62,;8.56,1.54,;9.89,2.31,)|
Oc1c2C(=O)N3C4CC(C4)[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r,wU:10.11,TLB:3:5:7:9,THB:11:10:7:9,(-8.13,-20.84,;-8.13,-19.3,;-9.46,-18.53,;-10.8,-19.3,;-10.8,-20.84,;-12.13,-18.53,;-13.62,-18.54,;-14.71,-19.62,;-13.67,-16.99,;-14.76,-15.91,;-12.13,-16.99,;-10.8,-16.22,;-9.46,-16.99,;-8.13,-16.22,;-6.79,-16.99,;-5.46,-16.22,;-5.46,-14.68,;-4.13,-16.99,;-2.79,-16.22,;-1.46,-16.99,;-1.46,-18.53,;-2.79,-19.3,;-.13,-19.3,;1.21,-18.53,;2.54,-19.3,;1.21,-16.99,;-.13,-16.22,;-.13,-14.68,;-6.79,-18.53,;-5.46,-19.3,)|
Oc1c2C(=O)N3C4CCC(C4)O[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |THB:13:12:8.7:10,3:5:8.7:10|
Oc1c2C(=O)N3C4CCC(CC4)C3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |(7.73,-2.31,;7.73,-.77,;6.39,,;5.06,-.77,;5.06,-2.31,;3.73,,;2.39,-.77,;1.06,,;1.06,1.54,;2.39,2.31,;2.14,1.28,;2.14,.26,;3.73,1.54,;5.06,2.31,;6.39,1.54,;7.73,2.31,;9.06,1.54,;10.4,2.31,;11.73,1.54,;10.4,3.85,;11.73,4.62,;11.73,6.16,;10.4,6.93,;10.4,8.47,;11.73,9.24,;11.73,10.78,;13.06,8.47,;13.06,6.93,;14.4,6.16,;9.06,,;10.4,-.77,)|
Oc1c2C(=O)N3[C@@H](Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O)[C@H]1C[C@@H]3C(F)(F)C1 |TLB:7:6:29.32:27,THB:3:5:29.32:27|
Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)OC3Cn2cc(C(=O)N[C@@H](c2ccc(F)cc2F)C(F)(F)F)c1=O |THB:13:12:8.7:10,3:5:8.7:10|
Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |r|
Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)O[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r,TLB:3:5:10:8.7|
Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)O[C@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |THB:3:5:8.7:10,13:12:8.7:10|
Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)[C@@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |r|
Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |THB:12:11:7.8:10,3:5:7.8:10|
Oc1c2C(=O)N3[C@@H]4CC[C@@H](CC4)[C@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |r,wU:12.13,9.8,wD:6.5,(-.3,26.21,;-.3,27.75,;-1.63,28.52,;-2.97,27.75,;-2.97,26.21,;-4.3,28.52,;-5.83,28.68,;-7.24,28.05,;-7.27,29.9,;-5.81,30.38,;-6.28,31.84,;-7.75,31.37,;-4.3,30.06,;-2.97,30.82,;-1.63,30.06,;-.3,30.83,;1.03,30.06,;2.37,30.83,;2.37,32.37,;3.7,30.06,;5.03,30.83,;6.12,29.74,;5.72,28.25,;6.81,27.16,;8.3,27.56,;9.39,26.47,;8.7,29.05,;7.61,30.14,;8.01,31.62,;1.03,28.52,;2.37,27.75,)|
Oc1c2C(=O)N3[C@@H]4C[C@@H](C[C@H]4F)[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |TLB:13:12:10.9:7,THB:11:10:12.5:7,3:5:10.9:7|
Oc1c2C(=O)N3[C@@H]4C[C@@H](C[C@H]4F)[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r,TLB:3:5:7:9.10,11:10:7:5.12,THB:13:12:7:9.10|
Oc1c2C(=O)N3[C@H](Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O)[C@H]1C[C@@H]3C(F)(F)C1 |TLB:7:6:29.32:27,THB:3:5:29.32:27|
Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |THB:13:12:8.7:10,3:5:8.7:10|
Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2cc(F)c(F)cc2F)c1=O |THB:13:12:8.7:10,3:5:8.7:10|
Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2ccc(F)cc2Cl)c1=O |r|
Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |THB:3:5:8.7:10,13:12:8.7:10|
Oc1c2C(=O)N3[C@H]4CC[C@H](C4)[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |THB:12:11:7.8:10,3:5:7.8:10|
Oc1c2C(=O)N3[C@H]4CC[C@H](C4)[C@@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |THB:12:11:7.8:10,3:5:7.8:10|
Oc1c2C(=O)N3[C@H]4CC[C@H](C4)[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |THB:12:11:7.8:10,3:5:7.8:10|
Oc1c2C(=O)N3[C@H]4CC[C@H](C4)[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |TLB:3:5:7.8:10,THB:12:11:7.8:10|
Oc1c2C(=O)N3[C@H]4CC[C@H](C4)[C@H]3Cn2cc(C(=O)NCc2ccc(Cl)cc2F)c1=O |THB:12:11:7.8:10,3:5:7.8:10|
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1
[#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]
[#6]C([#6])([#6])c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc(-[#8])c1-[#8])-c1cc(=O)c2c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2o1
[#7]\[#6](-[#7])=[#7]/c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](=[#7])-[#7]S([#7])(=O)=O)cs1
[#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cc1
[#7]\[#6](-[#7])=[#7]\c1ccc(I)cc1
[#7]\[#6](-[#7])=[#7]\c1cccc(Cl)c1
[#7]\[#6](-[#7])=[#7]\c1ccccc1
[H][C@@]1(CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=CC2=C4CC(C)(C)CC[C@]4(CO)[C@@H](O)C[C@@]32C)[C@]1(C)CO)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |r,c:15,17|
[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:21|
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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