1633 SMILES Strings for Metabotropic glutamate receptor 1

Compound Name
SMILES String
COc1cc(NC(=O)c2ccccn2)ccc1Cl
[H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |c:5,TLB:10:9:2:5.6,THB:13:7:2:5.6|
N[C@@H](C(O)=O)c1ccc(O)c(c1)C(O)=O |r|
N[C@@H](C(O)=O)c1cccc(O)c1 |r|
N[C@@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
NC(C(O)=O)c1ccc(cc1)C(O)=O
C[C@](c1ccc(cc1)C(=O)O)(C(=O)O)N
N[C@H](C(O)=O)c1ccc(O)c(c1)C(O)=O
N[C@H](C(O)=O)c1cccc(O)c1
N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O
N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
N[C@]1(CC[C@H](CC(O)=O)C1)C(O)=O
N[C@H](C(O)=O)c1cc(O)cc(O)c1
NC(C(O)=O)c1ccc(C(O)=O)c(O)c1
NC([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
NC1(CC2CCC1C2C(O)=O)C(O)=O |TLB:0:1:7:5.4,THB:11:1:7:5.4,8:7:1.2:5.4|
NC1(CCc2cc(ccc12)C(O)=O)C(O)=O
C(CC(=O)O)[C@@H](C(=O)O)N
NC(C(O)=O)c1cc(=O)[nH]o1
C([C@H](C(=O)O)N)P(=O)(O)O
N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O
CC(N)(C(O)=O)c1ccc(cc1)P(O)(O)=O
CC(N)(C(O)=O)c1ccc(cc1)-n1cnnn1
OC(=O)[C@H]1C[C@@H](N1)C(O)=O
CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|
N[C@H](Cc1cc(=O)[nH]o1)C(O)=O |r|
CCCCc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|
C(C[C@H](C(=O)O)N)CC(=O)O
Cc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|
N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O |r|
N[C@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|
N[C@@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|
C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N
Cc1cc(ccc1C(O)=O)C(N)C(O)=O
Cc1o[nH]c(=O)c1CC(N)C(O)=O
NC(C(O)=O)c1cc(O)ccc1Cl
N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
c1nc2c(n1COC(CO)CO)N=C(NC2=O)N
C(CP(=O)(O)O)[C@@H](C(=O)O)N
NC(CCC([O-])=O)C([O-])=O
[O-][N+](=O)c1cc2[nH]c(=O)n3[nH]c(=O)nc3c2cc1-n1ccnc1
C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
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|
C([C@H](C(=O)O)N)S(=O)(=O)O
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|
C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N
CCOC(=O)C12CC1C(N=O)c1ccccc1O2
C(CC(=O)O)[C@H](C(=O)O)N
Cc1cc(ccc1C(N)C(O)=O)C(O)=O
O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1
O=C(Cc1ccccc1)c1ccc2nc3OCCCc3cc2c1
C[C@@H](Cc1ccc2c(c1)OCO2)NC
COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
Clc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:8,t:6|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
FC(F)(F)c1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:11,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:9,t:7|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(Cl)cccc3C2=C1 |c:26,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccc(C)o1 |c:9,t:7|
COc1cccc(n1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
CCc1cc(ccn1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccn(C)n1 |c:9,t:7|
COCCOc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:30,t:12|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)c(Cl)ccc3C2=C1 |c:28,t:9|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cc(Cl)cc3C2=C1 |c:28,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccc(c1)C(F)(F)F |c:9,t:7|
COc1ccc(cc1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
COc1ccc(C)c(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:28,t:10|
Fc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:8,t:6|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(Br)cccc3C2=C1 |c:26,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccnc(c1)N(C)C |c:9,t:7|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:25,t:9|
Cc1ccc(o1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:23,t:7|
Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:23,t:7|
Cn1cc(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:23,t:7|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)O)C2=C1 |c:29,t:9|
Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)O)C2=C1 |c:27,t:7|
O=C1CN=C(C=C2N1CCc1c2cccc1-c1ccncc1)c1ccco1 |c:3,5|
Brc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:8,t:6|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
Cn1ccc(n1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:24,t:7|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
Ic1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccoc1 |c:8,t:6|
CC(C)n1cc(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
Cn1cnc(c1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:24,t:7|
O=C1CN=C(C=C2N1CCc1c(cccc21)C#C)c1cccs1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c(cccc21)C#N)c1cccs1 |c:3,5|
Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C#N |c:23,t:7|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:25,t:9|
CC(C)n1cc(cn1)C1=NCC(=O)N2CCc3c(cccc3-n3cccn3)C2=C1 |c:31,t:9|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(CN(C)C)cccc3C2=C1 |c:29,t:9|
COCCOCc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccc(OC)c1 |c:13,t:11|
Cn1ccc(n1)C1=NCC(=O)N2CCc3c(CO)cccc3C2=C1 |c:25,t:7|
Cn1cc(cn1)C1=NCC(=O)N2CCc3c(CO)cccc3C2=C1 |c:25,t:7|
COC(C)c1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccn(C)n1 |w:2.1,c:11,t:9|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=O |c:25,t:9|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3-c3ccccc3)C2=C1 |c:32,t:9|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccccn3)C2=C1 |c:32,t:9|
O=C1CN=C(C=C2N1CCc1c2cccc1-c1ccncc1)c1ccoc1 |c:3,5|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3cnccn3)C2=C1 |c:32,t:9|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:33,t:9|
COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3F)C2=C1 |c:33,t:9|
Cn1cnc(c1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3)C2=C1 |c:30,t:7|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1 |w:24.28,c:25,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccc(O)n1 |c:9,t:7|
COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)c(OC)ccc3C2=C1 |c:29,t:9|
COc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C(C)C |c:9,t:7|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(Cl)cccc3C2=C1 |c:24,t:7|
FC(F)(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:27,t:10|
Ic1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C#N |c:8,t:6|
OCc1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:25,t:8|
COC(=O)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:27,t:10|
Cc1cn(c(C)n1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:25,t:8|
CCOC(=O)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:28,t:11|
O=C1CN=C(C=C2N1CCc1c2cccc1-n1cccn1)n1cnc(c1)C1CCC1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c(cccc21)N1CCOCC1)n1cnc(c1)C1CCC1 |c:3,5|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ncc[nH]1 |c:25,t:9|
CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cnn(C)c1 |c:25,t:9|
CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccn1C |c:25,t:9|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ncco1 |c:24,t:8|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ccco1 |c:24,t:8|
COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cscn1 |c:26,t:10|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3cncnc3)C2=C1 |c:30,t:7|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3cccnc3)C2=C1 |c:30,t:7|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3)C2=C1 |c:30,t:7|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:31,t:7|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cncs1 |c:23,t:7|
Fc1cncc(c1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(Cl)c1 |c:15,t:13|
COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:34,t:10|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(C=C)cccc3C2=C1 |c:27,t:9|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)cc3)C2=C1 |c:32,t:8|
Fc1nccnc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
Fc1cccnc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cncs1)n1cnc(c1)C1CC1 |c:3,5|
Cc1ncc(s1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
O=C1CN=C(C=C2N1CCc1c2cccc1-c1cnccn1)n1cnc(c1)C1CC1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1nccs1)n1cnc(n1)C1CC1 |c:3,5|
COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccs1 |c:26,t:10|
CCOCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nc(C)cs1 |c:26,t:10|
CCOCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccs1 |c:26,t:10|
Fc1ccncc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
CCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C(C)C |c:9,t:7|
CCCc1cccc2C3=CC(NCC(=O)N3CCc12)n1cnc(C)c1 |t:8|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1 |c:25,t:9|
Cc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1 |c:23,t:7|
COCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccnc3C2=C1)-c1ccc(F)nc1 |c:25,t:9|
Cc1ccc(cn1)-c1ccnc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1ccc(cn1)-c1ccnc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |c:30,t:9|
Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:15,t:13|
Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:16,t:14|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cnc(C)o1 |c:23,t:7|
FC(F)(F)c1cc([nH]n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:17,t:15|
Oc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
COc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:16,t:14|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cc[nH]n1)n1cnc(c1)C1CC1 |c:3,5|
Fc1ncc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1cc(ccn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C2=C1)C1CC1 |c:26,t:9|
CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C2=C1)C1CC1 |r,c:27,t:10|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cc(F)cc3C2=C1)C1CC1 |c:26,t:9|
FC(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
FCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |r,c:31,t:10|
Cc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3ccc(F)nc3)C2=C1 |c:32,t:7|
COCc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |c:30,t:9|
Fc1ccc2C3=CC(=NCC(=O)N3CCc2c1-c1cccnc1F)n1cnc(n1)C1CC1 |c:7,t:5,(-4.6,-3.28,;-3.26,-2.51,;-3.26,-.97,;-1.93,-.2,;-.59,-.97,;.74,-.2,;.51,1.32,;1.56,2.45,;3.09,2.33,;3.96,1.06,;3.51,-.41,;4.6,-1.5,;2.07,-.97,;2.07,-2.51,;.74,-3.28,;-.59,-2.51,;-1.93,-3.28,;-1.93,-4.82,;-3.26,-5.59,;-3.26,-7.13,;-1.93,-7.9,;-.59,-7.13,;-.59,-5.59,;.74,-4.82,;.79,3.78,;1.69,5.03,;.79,6.27,;-.68,5.8,;-.68,4.26,;-2.01,6.57,;-2.78,7.9,;-3.55,6.57,)|
Cc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3cccnc3F)C2=C1 |c:32,t:7,(-2.01,7.24,;-.68,6.47,;.79,6.94,;1.69,5.7,;.79,4.45,;-.68,4.93,;1.56,3.12,;3.09,3,;3.96,1.73,;3.51,.26,;4.6,-.83,;2.07,-.31,;2.07,-1.85,;.74,-2.62,;-.59,-1.85,;-.59,-.31,;-1.93,.46,;-3.26,-.31,;-3.26,-1.85,;-4.6,-2.62,;-1.93,-2.62,;-1.93,-4.16,;-3.26,-4.93,;-3.26,-6.47,;-1.93,-7.24,;-.59,-6.47,;-.59,-4.93,;.74,-4.16,;.74,.46,;.51,1.99,)|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3cccnc3F)C2=C1 |c:32,t:7,(-2.01,7.24,;-.68,6.47,;-.68,4.93,;.79,4.45,;1.69,5.7,;.79,6.94,;1.56,3.12,;3.09,3,;3.96,1.73,;3.51,.26,;4.6,-.83,;2.07,-.31,;2.07,-1.85,;.74,-2.62,;-.59,-1.85,;-.59,-.31,;-1.93,.46,;-3.26,-.31,;-3.26,-1.85,;-4.6,-2.62,;-1.93,-2.62,;-1.93,-4.16,;-3.26,-4.93,;-3.26,-6.47,;-1.93,-7.24,;-.59,-6.47,;-.59,-4.93,;.74,-4.16,;.74,.46,;.51,1.99,)|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1ccno1)n1cnc(c1)C1CC1 |c:3,5|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cscn1 |c:25,t:9|
CCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:32,t:8|
Cc1cc(sn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1ncco1)n1cnc(c1)C1CC1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cscn1)n1cnc(c1)C#C |c:3,5|
Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)-c1ncco1 |c:15,t:13|
COC1(CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:36,t:12|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3cnccn3)C2=C1 |c:30,t:7|
OC1(COC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:36,t:12|
Cc1cc(on1)-c1cccc2C3=C(C)C(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:12,15|
Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:14,t:12|
Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CCC1 |c:14,t:12|
Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1coc(C)n1 |c:23,t:7|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cocn1)n1cnc(c1)C1CC1 |c:3,5|
Fc1ccc(cn1)-c1nccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
O=C1CN=C(C=C2N1CCc1c2ccnc1C1CC1)n1cnc(c1)C1CC1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c2ccnc1C1CC1)n1cnc(n1)C1CC1 |c:3,5|
CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccnc3C3CC3)C2=C1 |r,c:30,t:10|
FC(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccnc3C3CC3)C2=C1 |c:29,t:9|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1 |c:24,t:8|
CC(C)(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1 |c:26,t:10|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)CCC3)C2=C1 |c:30,t:8|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)COC3)C2=C1 |c:30,t:8|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)O |c:24,t:8|
CC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(C)c1 |c:10,t:8|
CC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:10,t:8|
CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C |r,c:26,t:10|
CO[C@@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C |r,c:26,t:10|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1=CCCC1 |c:25,t:9,28|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C |c:25,t:9|
CO[C@@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |r,c:26,t:10|
CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |r,c:26,t:10|
O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1cnco1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1ccno1 |c:3,5|
O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(n1)C1CC1 |c:3,5|
COc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
FC(F)(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:26,t:10|
O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1ccncc1 |c:3,5|
CCC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:11,t:9|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)C)C2=C1 |c:29,t:9|
OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
OC1(CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:27,t:11|
OCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
CC(O)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
OC(C1CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:28,t:12|
FC(F)(F)OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:28,t:12|
COC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:11,t:9|
Cc1ccc(nc1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1cccc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
Fc1ccnc(c1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
Fc1cnc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
Cc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3-c3cnc(F)cn3)C2=C1 |c:31,t:7|
O=C1CN=C(C=C2N1CCc1c2cccc1-n1nccn1)n1cnc(c1)C1CC1 |c:3,5|
Cc1cnc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1ccc2C3=CC(=NCC(=O)N3CCc2c1-c1cnc(F)nc1)n1cnc(c1)C1CC1 |c:7,t:5|
Fc1cncc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(OC(C)C)cccc3C2=C1 |c:29,t:9|
Fc1ccccc1-n1cnc2c(csc2c1=O)-c1ccccc1
Clc1cccc(c1)-n1cnc2c(csc2c1=O)-c1ccccc1
Clc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
Cc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
C=Cc1cccc(c1)-n1cnc2c(csc2c1=O)-c1ccccc1
Fc1ccccc1-c1csc2c1ncn(-c1ccc(Cl)cc1)c2=O
Cc1ccc(cc1)-c1csc2c1ncn(-c1ccc(Cl)cc1)c2=O
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccc(C)cc1
Clc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccc2OCOc2c1
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccc2OCOc2c1
COc1ccc(cc1)-n1c(C)nc2c(csc2c1=O)-c1ccccc1
Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O
[O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl
CCOc1cccc(c1)C1=NCC(=O)N2C(C)Cc3c(OC)cccc3C2=C1 |c:29,t:10|
Cn1cc(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:24,t:7|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
CCCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(C)c1 |c:10,t:8|
Fc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Fc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
CC1=C2N(CCc3c(I)cccc23)C(=O)CN=C1n1cnc(c1)C1CC1 |c:18,t:1|
Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:14,t:12|
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cnco1)n1cnc(c1)C1CC1 |c:3,5|
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:25,t:8|
COc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
CC(C)(C)[Si](OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1)(c1ccccc1)c1ccccc1 |c:29,t:13|
Fc1cnc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(O)cccc3C2=C1 |c:26,t:9|
COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2C1)C1CC1 |t:9|
Fc1ccc(NC(=O)c2cc(ccc2F)C#Cc2ccccn2)cc1
Cc1nc(cs1)C#Cc1ccc(F)c(c1)C(=O)Nc1ccc(F)cc1
Cc1nc(cs1)C#Cc1cccc(c1)C(=O)N1CCc2ccccc2C1
Cc1nc(cs1)C#Cc1cccc(c1)C(=O)Nc1cccnc1
Cc1nc(cs1)C#Cc1cccc(c1)C(=O)Nc1ccccc1
Cc1nc(cs1)C#Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(F)(F)F
Fc1ccc(NC(=O)c2cc(ccc2Cl)C#Cc2ccccn2)cc1
Cc1nc(cs1)C#Cc1ccc(Cl)c(c1)C(=O)Nc1ccc(F)cc1
Fc1ccc(cc1C(=O)Nc1cccnc1)C#Cc1ccccn1
Cc1nc(cs1)C#Cc1ccc(F)c(c1)C(=O)Nc1cccnc1
Fc1ccc(cc1C(=O)N1CCc2ccccc2C1)C#Cc1ccccn1
Cc1nc(cs1)C#Cc1ccc(F)c(c1)C(=O)N1CCc2ccccc2C1
CC1N(CCc2ccccc12)C(=O)c1cc(ccc1F)C#Cc1csc(C)n1
COC1CCC(CC1)C(=O)c1ccc2nc3OCCCc3cc2c1 |(-10.67,-3.08,;-9.34,-2.31,;-8,-3.08,;-6.67,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-8,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-5.39,;2.67,-4.62,;1.33,-5.39,;,-4.62,;-1.33,-5.39,)|
CNC(C)Cc1ccc2c(c1)OCO2
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
OC(=O)C[C@H]1CN[C@@H]1C(O)=O
CN(C(=O)C12CC1C(N=O)c1ccccc1O2)c1ccccc1
O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccc1 |r|
Cc1cc(ccc1[C@H](N)C(O)=O)C(O)=O
Cc1c(O)c(ccc1C(N)C(O)=O)C(O)=O
Cc1cc(C(O)=O)c(O)cc1C(N)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2)C1)C(O)=O)C(O)=O
CCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
NC(CC1c2ccccc2Oc2ccccc12)([C@H]1[C@H](CCc2ccccc2)[C@@H]1C(O)=O)C(O)=O
c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@@H]4C(=O)O)(C(=O)O)N
N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
N[C@H](C(O)=O)c1cc(=O)[nH]o1
C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N
N[C@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H]([C@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
N[C@@H](C(O)=O)C12CC(C1)(C2)C(O)=O
N[C@H](C(O)=O)c1ccc(C(O)=O)c(O)c1
N[C@@]1(CC[C@@H](C1)C(O)=O)C(O)=O
N[C@@]1(CC[C@H](C1)C(O)=O)C(O)=O
CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCC(=CC1)c1ccccc1 |c:20|
CN(C)c1ccnc2sc3c(ccn(-c4ccc(F)cc4)c3=O)c12
COc1ccc(c(F)c1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12
CN(C)c1ccnc2sc3c(ccn(-c4ccc5ncsc5c4)c3=O)c12
COc1ccc(cc1)-n1ccc2c3c(OC)ccnc3sc2c1=O
CN(C)c1ccnc2sc3c(ccn(-c4ccc(cc4)C#N)c3=O)c12
CCc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ccn(C4CCCCC4)c3=O)c12
COc1ccc(cc1F)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
Cc1ccc(cc1)-n1ccc2c(sc3ncnc(NC4CC4)c23)c1=O
CCNc1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
COc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Clc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
CCNc1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
Brc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
CCNc1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
CNc1ncnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
COc1ccc(cc1)-n1ccc2c(sc3ncnc(N(C)C)c23)c1=O
COc1ccc(cc1)-n1ccc2c(sc3ncnc(NC4CC4)c23)c1=O
CCNc1ncnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
CNc1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
CN(C)c1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
COCCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
Cc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
COc1ccc(cc1)-n1ccc2c(sc3nccc(NC[C@@H](C)O)c23)c1=O |r|
COc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)CCO)c23)c1=O
CNc1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
CNc1ccnc2sc3c(ccn(-c4ccc(F)cc4)c3=O)c12
CNc1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
CCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
CCCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
COc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
COc1ccc(cc1)-n1ccc2c(sc3nccc(NCCO)c23)c1=O
CNc1ccnc2sc3c(ccn(-c4ccc(cc4)C#N)c3=O)c12
CNc1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
CCNc1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
CNc1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12
CNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4F)c3=O)c12
CNc1ccnc2sc3c(ccn(-c4ccc(OC)c(F)c4)c3=O)c12
COc1ccnc2sc3c(ccn(-c4ccc(cc4)C4CC4)c3=O)c12
COc1ccnc2sc3c(ccn(C4CCCCC4)c3=O)c12
COc1ccc(c(C)c1)-n1ccc2c3c(OC)ccnc3sc2c1=O
CCc1ccc(cc1)-n1ccc2c(sc3nccc(OC)c23)c1=O
CNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
CCn1ccc2c(sc3nccc(OC)c23)c1=O
COc1ccc(cc1)-n1ccc2c(sc3nccc(O)c23)c1=O
COc1ccccc1-n1ccc2c3c(OC)ccnc3sc2c1=O
COc1ccnc2sc3c(ccn(-c4ccccc4C)c3=O)c12
COc1cccc(c1)-n1ccc2c3c(OC)ccnc3sc2c1=O
CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(O)=O)c(C)c1O
Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1
Cc1o[nH]c(=O)c1C(N)C(O)=O
OC(=O)C(NCc1ccccc1)c1cc(=O)[nH]o1
CNC(C(O)=O)c1cc(=O)[nH]o1
CCNC(C(O)=O)c1cc(=O)[nH]o1
C1[C@]([C@@H]2[C@H]([C@@H]2O1)C(=O)O)(C(=O)O)N
N[C@]1(CS[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N
Cc1ccc(O)c(N=Nc2ccccc2)n1 |w:7.6|
NC(C(O)=O)C12CC(C1)(C2)C(O)=O
N[C@@]1(CCc2cc(ccc12)C(O)=O)C(O)=O
Cc1cccc(\C=C\c2ccccc2)n1
COC(=O)[C@@H](Cc1ccccc1)NC(=O)C12CC1C(N=O)c1ccccc1O2
COC(=O)[C@H](Cc1ccccc1)NC(=O)C12CC1C(N=O)c1ccccc1O2
Cc1nc(cs1)C#Cc1cccnc1
Cc1cccc(n1)C#Cc1ccccc1
NC(Cc1o[nH]c(=O)c1Cl)C(O)=O
NC(Cc1o[nH]c(=O)c1Br)C(O)=O
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(C4CCCCC4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CCOC)c23)c1=O
CCN(C)c1ccnc2sc3c(ncn(-c4ccc(CC)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(C4CCC4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccccc4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(C4CC4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(C4CCCC4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3cccc(N(C)C)c23)c1=O
CCc1ccc(cc1)-n1cnc2c(sc3nccc(c23)[N+](C)(C)[O-])c1=O
CCc1ccc(cc1)-n1c(C)nc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(Cc4ccccc4)c3=O)c12
CN(C)c1ccnc2sc3c(nnn(C4CCCCCC4)c3=O)c12
CN(C)c1cncc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3cncc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(CC4CCCCC4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(CC4CCCC4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4C)c3=O)c12
CCC(CC)n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(F)(F)F)c3=O)c12
CCc1cccc(c1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#N)c23)c1=O
C[N+](C)([O-])c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3nccc(NC4CC4)c23)c1=O
CCc1ccc(cc1)-n1cnc2c(oc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CCCCC4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3nccc(NC)c23)c1=O
CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(F)(F)F)c23)c1=O
CC1CCC(CC1)n1cnc2c(oc3nccc(N(C)C)c23)c1=O |(26.6,2.2,;25.06,2.14,;24.34,.78,;22.81,.72,;21.99,2.03,;22.7,3.39,;24.24,3.44,;20.45,1.98,;19.53,3.22,;17.99,3.06,;17.37,1.64,;18.29,.39,;17.37,-.87,;15.9,-.39,;14.57,-1.16,;13.23,-.39,;13.24,1.15,;14.56,1.92,;14.56,3.46,;15.89,4.23,;13.22,4.22,;15.9,1.16,;19.82,.55,;20.73,-.69,)|
CCc1ccccc1-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(-c4ccc5cn[nH]c5c4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CC4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(c3=O)C34CC5CC(CC(C5)C3)C4)c12 |TLB:19:20:17.18.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:17:25.19.20|
CN(C)c1ccnc2sc3c(ncn(C4CCCCCCC4)c3=O)c12
CCCCc1nc2c(sc3nccc(N(C)C)c23)c(=O)n1-c1ccc(CC)cc1
CCc1ccc(cc1)-n1c(CC)nc2c(sc3nccc(N(C)C)c23)c1=O
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N4CCC4)c23)c1=O
CN(C)c1ccnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(C)(C)C)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4Cl)c3=O)c12
CC(C)c1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CC1CCCCC1n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CCCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
CC1CCC(CC1)n1cnc2c(sc3nccc(N(C)C)c23)c1=O |(5.87,-19.78,;4.34,-19.93,;3.7,-21.33,;2.18,-21.48,;1.29,-20.23,;1.91,-18.82,;3.44,-18.68,;-.24,-20.38,;-1.15,-19.13,;-2.7,-19.28,;-3.32,-20.7,;-2.41,-21.95,;-3.32,-23.19,;-4.79,-22.72,;-6.12,-23.49,;-7.45,-22.72,;-7.45,-21.18,;-6.12,-20.41,;-6.13,-18.87,;-4.8,-18.1,;-7.46,-18.11,;-4.79,-21.17,;-.88,-21.79,;.02,-23.04,)|
CC1CCCC(C1)n1cnc2c(sc3nccc(N(C)C)c23)c1=O
COc1ccc(cn1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
NC1(C2CCC1C(C2)C(O)=O)C(O)=O |TLB:0:1:6.7:4.3,THB:11:1:6.7:4.3,8:6:1:4.3|
N[C@@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
OC(=O)[C@H]1CC[C@H]2CN[C@@H]([C@@H]12)C(O)=O
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccccc1
Cc1nc2n(CC3CCCCC3)ncc2c(=O)n1-c1ccc(Cl)cc1
Cc1ccccc1-n1ncc2c1nc(C)n(-c1ccc(Cl)cc1)c2=O
Cc1nc2n(ncc2c(=O)n1-c1cccc(Cl)c1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1cnccn1)-c1cnccn1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cccc(c1)S(N)(=O)=O
Cc1nc2n(ncc2c(=O)n1-c1ccc(OC(F)(F)F)cc1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Cc1nc2n(ncc2c(=O)n1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Cc1cccc(c1)-n1ncc2c1nc(C)n(-c1ccc(Cl)cc1)c2=O
Cc1nc2n(ncc2c(=O)n1-c1ccc(Br)cc1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cccc(Cl)c1
Cc1nc2n(ncc2c(=O)n1-c1ccc(O)cc1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1N1CCCCC1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cccnc1
Cc1nc2n(ncc2c(=O)n1N1CCCCCC1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cncnc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)c(F)c1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1
Cc1nc2n(ncc2c(=O)n1C1CCCCCC1)-c1ccccc1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccccn1
Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)C1CCCCCC1
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
COc1ccc(cc1)-n1cnc2c(sc3ncc4O[C@H](C)CNc4c23)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3[nH]cc4sc(=S)nc4c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
Clc1ccc(cc1)-n1cnc2c(sc3ncc4c[nH]nc4c23)c1=O
C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21
C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(C)cc4)c3=O)c21
Cc1ccc(cc1)-n1cnc2c(sc3ncc4c[nH]nc4c23)c1=O
Cn1cnc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c12
C[C@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21
Clc1ccc(cc1)-n1cnc2c(sc3ncc4[nH]cnc4c23)c1=O
C[C@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
Cc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
CNc1c(Br)cnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3[nH]cc4sc(=O)nc4c23)c1=O
Clc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
C[C@@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
Cc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
CSc1nc2c(cnc3sc4c(ncn(-c5ccc(C)cc5)c4=O)c23)s1
COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Clc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccc(F)cc1 |c:10|
Cc1ccccc1-n1cc(nn1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:14|
COc1ccccc1-n1cc(nn1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:15|
CC(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1F |c:9|
CC(C)OC(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:9|
CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccn1 |c:10|
CC(C)(C)NC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
CC(C)(C)CC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1 |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccncc1 |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ncccc1F |c:10|
Cc1c(nnn1-c1ncccc1F)C1=CCN(CC1)C(=O)OC(C)(C)C |t:15|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccc(F)c1 |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1 |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
OCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
CNc1ncc(cn1)C#Cc1ccccc1
Cc1cccc(c1)C#Cc1ncccn1
Cc1ccc(cc1C)C(=O)c1ccc(Oc2ccccc2)cc1
CCn1c2ccccc2c2cc(\C=N\c3ccc(C)c(F)c3)ccc12
COc1cc2CC(C)(C)N=C(Cc3ccccc3)c2cc1OC |t:9|
CCCCOc1ccc(cc1)-c1nnc(s1)-c1ccc(cc1)-c1ccccc1
O=C(C1CC1c1ccc(nc1)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 |THB:1:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Cc1ccc2nc(Cl)c(\C=C\C(=O)c3ccccc3)cc2c1
Cc1coc(C)c1C(=O)C=Cc1cc2ccc(C)cc2nc1Cl |w:10.11|
Clc1ccc(\C=C\C(=O)c2ccc(Oc3ccccc3)cc2)cc1
CC(CC(=O)c1ccc2OCCOc2c1)c1ccccc1
Brc1ccc(\C=N\c2ccc(cc2)C(=O)c2ccccc2)cc1
Cc1cccc2cc(\C=C\C(=O)c3ccccc3)c(Cl)nc12
CC(=O)c1ccc(OC(=O)c2ccc(cc2)-c2ccccc2)cc1
CCCCCc1ccc(nc1)-c1ccc(OC(=O)C2CCC(CC)CC2)cc1 |(3.83,-46.98,;5.37,-46.96,;6.12,-45.61,;7.66,-45.59,;8.41,-44.24,;9.95,-44.22,;10.7,-42.87,;12.24,-42.84,;13.04,-44.16,;12.29,-45.51,;10.74,-45.54,;14.57,-44.13,;15.36,-45.45,;16.9,-45.42,;17.65,-44.08,;19.19,-44.05,;19.98,-45.36,;21.52,-45.33,;19.24,-46.71,;17.7,-46.73,;16.96,-48.08,;17.75,-49.4,;17,-50.74,;15.46,-50.77,;19.29,-49.37,;20.04,-48.02,;16.84,-42.75,;15.31,-42.79,)|
COc1ccc(cc1C)C(=O)c1ccc(cc1)C(=O)c1ccc(C)c(OC)c1
CCOc1ccc(cc1)C(=O)\C=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1
O=c1cc(-c2ccccc2)c2ccc(OCc3cccc(Oc4ccccc4)c3)cc2o1
COc1ccc(cc1)C(=O)\C=C\c1ccc(OC2CSC2)cc1
CCCCCCc1cc2c3CCCc3c(=O)oc2cc1OC
Cc1ccc2cc(\C=C\C(=O)c3cccs3)c(Cl)nc2c1
COc1ccc(cc1)C(=O)\C=C\c1cc2cc(C)ccc2nc1Cl
CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C1CCCCC1
CC(Oc1ccc2c(c1)oc(=O)c1ccccc21)c1ccccc1
CCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)C(C)=O |(37.89,-30.99,;36.55,-30.24,;35.23,-31.03,;33.88,-30.27,;32.56,-31.06,;32.58,-32.61,;31.25,-33.4,;29.91,-32.64,;29.89,-31.09,;31.22,-30.31,;28.58,-33.42,;27.24,-32.66,;28.59,-34.96,;27.26,-35.74,;25.93,-34.97,;24.61,-35.75,;24.62,-37.29,;25.97,-38.05,;27.29,-37.27,;23.29,-38.08,;23.31,-39.62,;21.95,-37.32,)|
Fc1ccc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)cc1
Clc1ccc(cc1)C(=O)c1ccc2OCCCCc2c1
Fc1ccc(COc2ccc3c(cc(=O)oc3c2)-c2ccccc2)cc1
COc1ccc(cc1Br)-c1cc(C)nc(c1)-c1ccc(OC)c(Br)c1
Cc1ccc2nc(Cl)c(\C=C\C(=O)c3cccs3)cc2c1
COc1ccc(cc1)C(=O)\C=C\c1cc2ccc(C)cc2nc1Cl
CN(C(=O)c1ccc(C)cc1)c1nc(cs1)-c1ccncc1
CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cc(N)ncn1
COc1ccc(cc1)C(=O)N(C)c1nc(cs1)-c1ccncc1
CNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccncc1
CCNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cnccn1
CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cncnc1
CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccncn1
CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ncccn1
CCN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccccn1
CN(C(=O)c1ccccc1F)c1nc(cs1)-c1ccncc1
CN(C(=O)c1ccc(Cl)cc1)c1nc(cs1)-c1ccncc1
CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccccc1
CN(C(=O)c1ccc(Br)cc1)c1nc(cs1)-c1ccncc1
CCCN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccccn1
CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccccn1
CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cccnc1
CC(C)N(C)c1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(cs1)-c1ccncc1
CN(C(=O)c1cccc(F)c1)c1nc(cs1)-c1ccncc1
CN(C(=O)c1ccccc1)c1nc(cs1)-c1ccncc1
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
CC(C)N(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccccn1
Fc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
Cc1c(nnn1-c1cccnc1)-c1ccc(cc1)C(=O)C1CC1
Cc1c(nnn1-c1cccnc1)-c1ccc(cc1)C(=O)N1CCCC1
CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
Cc1c(nnn1-c1cccnc1)-c1ccc2[nH]ccc2c1
Cc1c(nnn1-c1cccnc1)-c1ccc2ncccc2c1
Cc1c(nnn1-c1cccnc1)-c1ccc2ccccc2c1
Cc1c(nnn1-c1cccnc1F)-c1ccc2C(=O)N(Cc2c1)C1CC1
CC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
CC(C)NC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
CC(C)OC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
Cc1c(nnn1-c1cccnc1)-c1ccc(cc1)C(=O)c1ccccc1
CC(C)OC(=O)c1cccc(c1)-c1nnn(c1C)-c1cccnc1
Cc1c(nnn1-c1cccnc1)-c1ccc2C(=O)C(Cc2c1)C1CC1
CCCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
CCC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
CC(C)N(C)C(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1ccc(F)cc1F
Cc1nc2cc(ccc2s1)-c1nnn(c1C)-c1cccnc1
Cc1c(nnn1-c1cccnc1)-c1ccc2C(=O)C(C)(C)Cc2c1
Cc1c(nnn1-c1cccnc1)-c1ccc2C(=O)CCc2c1
CCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Cc1ccc(cc1)-n1cnc2c(sc3nc(nc(N)c23)C2CC2)c1=O
CNc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(C)cc2)c1=O
Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(F)cc2)c1=O
Cc1ccc(cc1)-n1cnc2c3c(N)nc(C)nc3sc2c1=O
Cc1ccc(cc1)-n1cnc2c(sc3[nH]c(=O)nc(N)c23)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3nc(nc(N)c23)-n2cccc2)c1=O
Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3nc(nc(N)c23)C(F)(F)F)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3[nH]c(=S)nc(N)c23)c1=O
Cc1ccc(cc1)-n1cnc2c3c(N)nc(N)nc3sc2c1=O
COc1ccc(cc1)-n1cnc2c(sc3nc(C)nc(N)c23)c1=O
Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccccc2)c1=O
Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
N[C@@H]([C@H]1[C@@H](C2CC2)[C@@H]1C(O)=O)C(O)=O |r|
N[C@@H]([C@H]1[C@H]([C@@H]1C(O)=O)C1CCCCC1)C(O)=O |r|
C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O
CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN
NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12 |r|
CCCC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCNCCCCNCCCN |r|
NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1 |r|
NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 |r,TLB:31:32:30.29.35:36,THB:31:30:32.37.33:36,33:32:29:35.34.36,33:34:31.32.37:29|
NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CC1 |r|
CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1 |wU:5.8,2.1,(-8.6,-.89,;-7.27,-1.66,;-5.94,-.89,;-5.94,.65,;-4.61,1.42,;-3.28,.65,;-3.28,-.89,;-4.61,-1.66,;-1.95,1.42,;-1.98,2.96,;-.62,.67,;-.62,-.87,;.72,-1.64,;2.05,-.85,;3.39,-1.62,;4.72,-.82,;6.07,-1.57,;7.4,-.8,;7.38,.76,;6.03,1.51,;4.7,.72,;3.36,1.49,;2.04,.69,;.71,1.44,)|
COCCN(C)Cc1ccc2nc3sc(cn3c2c1)C(=O)N(C)C1CCCCC1
CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |r,wU:15.16,18.23,(4.3,-15,;2.96,-14.24,;1.63,-15.01,;.3,-14.25,;-1.03,-15.02,;-2.36,-14.25,;-3.69,-15.02,;-3.7,-16.56,;-2.37,-17.33,;-1.03,-16.56,;.3,-17.33,;1.64,-16.56,;2.97,-17.33,;-5.02,-14.25,;-5.02,-12.71,;-6.36,-15.01,;-7.69,-14.23,;-9.01,-15.01,;-9.01,-16.55,;-7.69,-17.31,;-6.36,-16.55,;-10.35,-17.32,;-11.68,-16.55,)|
Cc1c(nnn1-c1cccnc1F)-c1ccc2ncccc2c1
CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
CN(CC#C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O
O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2OCCOc2c1
Brc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
COc1ccc(cc1F)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
CN(CC#C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CC#C)c23)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5ncsc5c4)c3=O)c12
CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5sccc5c4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5OCCOc5c4)c3=O)c12
Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
Brc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O
COc1cc(ccc1F)-n1cnc2c3c(NCC=C)ccnc3sc2c1=O
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccccc4)c3=O)c12
Fc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccncc4)c3=O)c12
CN(CC=C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CC=C)c23)c1=O
CC(=C)CNc1ncnc2sc3c(ncn(-c4cccc(Cl)c4)c3=O)c12
CN(CC=C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5scnc5c4)c3=O)c12
CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(C)=C)c23)c1=O
CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2scnc2c1
O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2ncsc2c1
COc1ccc(cc1F)-n1cnc2c(sc3nccc(NCC(C)=C)c23)c1=O
Clc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCCOc5c4)c3=O)c12
Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCOc5c4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
Brc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
Fc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2OCOc2c1
O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2occc2c1
O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2sccc2c1
CC(Nc1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12)C#C
Cc1ccc(cc1)-n1cnc2c(sc3nccc(NC(C)(C)C#C)c23)c1=O
CCC(CC)(Nc1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12)C#C
O=C(C1CCC1)N1CCCC2(CCCCC2)C1
C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1
C1Cc2sc(Nc3ccccn3)nc2-c2cn[nH]c12
C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1
N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|
N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(O)=O
N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O
N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
N[C@H](CCc1ns[nH]c1=O)C(O)=O
Cc1o[nH]c(=O)c1CC[C@@H](N)C(O)=O
N[C@@H](CCc1ns[nH]c1=O)C(O)=O
Cc1o[nH]c(=O)c1CC[C@H](N)C(O)=O
N[C@H](Cc1cc(=O)[nH]o1)C(O)=O
N[C@@H](CCCC(O)=O)C(O)=O
CC(OC(=O)c1c[nH]c(C(=O)Oc2ccncn2)c1C)C(C)(C)C
CCCOC(=O)c1[nH]c(COC(C)=O)c(C(=O)OC(C)(C)C)c1C
CCCOC(=O)c1[nH]c(Cl)c(C(=O)OC(C)C(C)(C)C)c1C
CCCOC(=O)c1[nH]c(C=O)c(C(=O)OC(C)(C)C)c1C
Cc1c(c[nH]c1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
CCCOC(=O)c1[nH]cc(C(=O)OC(C)C(C)(C)C)c1C
CCCOC(=O)c1[nH]c(C(=O)NCC2CC2)c(C(=O)OC(C)(C)C)c1C
CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CCCO
CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1C
CCCOC(=O)c1[nH]cc(C(=O)OC(C)(C)C)c1C
CCCOC(=O)c1[nH]c(C(=O)OC)c(C(=O)OC(C)(C)C)c1C
Cc1c(c[nH]c1C(=O)OCc1ccco1)C(=O)OC(C)(C)C
CCCOC(=O)c1[nH]c(CO)c(C(=O)OC(C)(C)C)c1C
CC(OC(=O)c1c[nH]c(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1C)C(C)(C)C
Cc1c(c[nH]c1C(=O)OCC1CC1)C(=O)OC(C)(C)C
CCCOC(=O)c1[nH]c(C(=O)Sc2ccccn2)c(C(=O)OC(C)(C)C)c1C
Cc1c(c[nH]c1C(=O)Sc1ccccn1)C(=O)OC(C)(C)C
CC(CN(C)C)OC(=O)c1[nH]cc(C(=O)OC(C)C(C)(C)C)c1C
CCOC(=O)c1[nH]cc(C(=O)OC(C)(C)C)c1C
CCN1CCC(C1)OC(=O)c1[nH]cc(C(=O)OC(C)C(C)(C)C)c1C
CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CC(=O)OCC=C
CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1C(=O)OC(C)(C)C
CC(OC(=O)c1c[nH]c(C(=O)Oc2cccnc2)c1C)C(C)(C)C
CC(OC(=O)c1c[nH]c(C(=O)OC(C)(C)C)c1C)C(C)(C)C
CCCOC(=O)c1[nH]c(C)c(C(=O)OC(C)C(C)(C)C)c1C
N[C@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O |c:5|
N[C@@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O |c:5|
N[C@@H]([C@H]1[C@H](CC(O)=O)[C@@H]1C(O)=O)C(O)=O
C(CP(=O)(O)O)[C@@H](C(=O)O)N
N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O
NC(C(O)=O)c1ccc(cc1)P(O)(O)=O
c1cc(c(cc1[C@@H](C(=O)O)N)C(=O)O)C(=O)O
N[C@@H]([C@H]1[C@@H](CC(O)=O)[C@@H]1C(O)=O)C(O)=O
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1cccc(OC)c1
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1OC
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1cccc(C)c1
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1C
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1Cl
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1F
C=Cc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
Cc1cccc(c1)-n1cnc2c(csc2c1=O)-c1ccccc1
Cc1ccccc1-n1cnc2c(csc2c1=O)-c1ccccc1
Clc1ccccc1-n1cnc2c(csc2c1=O)-c1ccccc1
Fc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
Fc1cccc(c1)-n1cnc2c(csc2c1=O)-c1ccccc1
O=c1n(cnc2c(csc12)-c1ccccc1)-c1ccccc1
Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)cn2c1=O
Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O
CC(=O)N1CCCn2nc(COc3ccccc3)cc12
CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:15.16,18.23,(20.81,-1.24,;19.47,-.49,;18.14,-1.27,;16.81,-.5,;15.48,-1.27,;14.15,-.5,;12.82,-1.27,;12.82,-2.81,;14.15,-3.58,;15.48,-2.81,;16.81,-3.58,;18.14,-2.81,;19.48,-3.58,;11.48,-.5,;11.48,1.04,;10.02,-1.13,;8.73,-.29,;7.33,-1.17,;7.33,-2.71,;8.69,-3.48,;10.02,-2.69,;6,-3.48,;4.67,-2.71,)|
NC1(CC2ON=C(C2C1)C(O)=O)C(O)=O |c:5|
N[C@@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O |c:5|
N[C@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O |c:5|
C1[C@@H](ON=C1C(=O)O)C[C@@H](C(=O)O)N
Fc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1cccc(F)c1)c2C#N
Fc1cccc(CNc2sc3CN(CCc3c2C#N)C(=O)c2ccccc2)c1
Fc1ccc(CNc2sc3CN(CCc3c2C#N)C(=O)c2ccccc2)cc1
Cc1cccc(c1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
Cc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
Fc1cccc(c1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
Fc1ccncc1C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
Fc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
O=C(N1CCc2c(C1)sc(NCc1ccccc1)c2C#N)c1ccccc1
Fc1ccc(CNc2sc3CN(CCc3c2C#N)C(=O)c2ccn[nH]2)cc1
Cc1cc([nH]n1)C(=O)N1CCc2c(C1)sc(NCc1ccc(F)cc1)c2C#N
O=C(N1CCc2c(C1)sc(NCc1ccccc1)c2C#N)c1ccn[nH]1
Cc1cc([nH]n1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
CC(C)c1cc([nH]n1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
CC(C)c1cc([nH]n1)C(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(Cl)cc1)c2C#N
COc1cccc(CNc2sc3CN(CCc3c2C#N)C(=O)c2ccc(F)cc2)c1
N[C@H](CCC(O)=O)C(O)=O
COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(F)c2C1=O
COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(Cl)c2C1=O
COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(C)c2C1=O
COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(c1)C(F)(F)F
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(c1)C(F)(F)F
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(c1)C(F)(F)F
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(c1)C(F)(F)F
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(C)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(C)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(C)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(C)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(F)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(F)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(F)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(F)c1
Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(F)c2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(Cl)c2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2cccc(C)c2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1)N1C(=O)c2ccccc2C1=O
CN(C)c1cncc2sc3c(ncn(-c4ccc(C)c(F)c4)c3=O)c12
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CCc4ccccn4)c23)c1=O
N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O
Cc1ccoc1C(=O)Nc1ncc(cn1)N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cn1)N1C(=O)c2ccccc2C1=O
COc1cc(ccc1NC(=O)c1occc1C)N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1C(F)(F)F)N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1C)N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1Cl)N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c2ccccc12
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c2ccccc12
CC(C)(Cc1ccccc1)NC(=O)c1cnc2ccccc2n1
CC(C)(CNCc1cnc2ccccc2n1)c1ccccc1
O=C(NC1CCCCCC1)c1cnc(cn1)N1CCCCC1
CC(C)(CNC(=O)c1cnc2CCCCc2n1)c1ccccc1
CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1
CCCCN(C)c1cncc(n1)C(=O)NC1CCCCCC1
CN1CCN(CC1)c1nccn2cc(nc12)C(=O)N1CCCN(CC1)c1cccc(C)n1
Oc1cccc(CCNc2cncc(n2)C(=O)NCC2CC2)c1
CCN(C)c1cncc(n1)C(=O)NC1Cc2ccccc2C1
CC(CNC(=O)c1cn2ccnc(N3CCN(C)CC3)c2n1)c1ccccc1 |w:1.0|
C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cn1)N1CCCCC1 |wU:4.7,wD:1.0,(7.01,-30.31,;5.68,-31.07,;4.34,-30.31,;3.01,-31.08,;3.02,-32.61,;4.35,-33.38,;5.68,-32.61,;1.69,-33.39,;.35,-32.62,;.35,-31.08,;-.98,-33.4,;-.97,-34.95,;-2.31,-35.72,;-3.64,-34.95,;-3.64,-33.4,;-2.31,-32.63,;-4.97,-35.72,;-6.31,-34.95,;-7.64,-35.71,;-7.65,-37.25,;-6.31,-38.02,;-4.97,-37.26,)|
CC(C)(CNC(=O)c1cnc(cn1)N1CCCCC1)c1ccccc1
CC(C)(CNC(=O)c1cnc(cn1)-c1ccccc1)c1ccccc1
CC(CN(C)C)N(C)c1cnc(cn1)C(=O)NCC(C)(C)c1ccccc1 |w:1.0|
CC(C)(CNC(=O)c1cnccn1)c1ccccc1
O=C(NCC1CC1)c1cncc(n1)N1CCCN(Cc2ccccc2)CC1
CNC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:2.2|
CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccn1
CN1CCN(CC1)c1nccn2cc(nc12)C(=O)N1CCCC(C1)c1ccccc1 |w:22.27|
COC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:2.2|
CC(C)(CNC(=O)c1cnc(cn1)N1CCC(CO)CC1)c1ccccc1
CC(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:1.0|
CC(C)(CNC(=O)c1cncc(N[C@@H](CO)c2ccccc2)n1)c1ccccc1
O=C(NCCc1ccccc1)c1cnc2ccccc2n1
CN(CCO)c1cncc(n1)C(=O)NCC(C)(C)c1ccccc1
CC(C)(CNC(=O)c1cncc(n1)N1CCCCC1)c1ccccc1
O=C(N1CCCC(C1)c1ccccc1)c1cnc2ccccc2n1 |w:6.8|
CN1CCN(CC1)c1nccn2cc(nc12)C(=O)N1CCCN(CC1)c1ccccn1
C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cn1)N1CCC(CO)CC1 |wU:4.7,wD:1.0,(9.04,-40.15,;7.71,-40.92,;6.38,-40.15,;5.04,-40.92,;5.05,-42.45,;6.38,-43.22,;7.71,-42.46,;3.72,-43.23,;2.38,-42.46,;2.38,-40.92,;1.05,-43.24,;1.06,-44.79,;-.28,-45.56,;-1.61,-44.79,;-1.61,-43.25,;-.28,-42.48,;-2.95,-45.56,;-4.28,-44.79,;-5.61,-45.55,;-5.62,-47.09,;-6.96,-47.85,;-8.29,-47.08,;-4.29,-47.87,;-2.94,-47.1,)|
CC(C)(CNC(=O)c1cncc(n1)-c1ccccc1)c1ccccc1
CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccc(F)cc1
CN(CCC#N)c1cnc(cn1)C(=O)NCC(C)(C)c1ccccc1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c2ccccc12
C(Oc1ccc2NC3CNCCC3c2c1)c1ccccc1 |w:12.11,7.7|
CC(NC(=O)c1ccc2[nH]c3c(CCNC3=O)c2c1)C(C)(C)C |w:1.0|
O=C1NCCc2c1[nH]c1ccc(OCC3CCCCC3)cc21
O=C(NC1CC2CCC1C2)c1ccc2[nH]c3c(CCNC3=O)c2c1 |w:8.7,5.5,3.2,TEB:2:3:6.7:9|
CCCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(C)(C)C)c1C
O=C(Nc1ccccc1)c1ccc2[nH]c3c(CCNC3=O)c2c1
O=C(Nc1ccc2[nH]c3c(CCNC3=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:20:21:25:19.24.18,THB:18:19:22:25.26.17,18:17:20.19.24:22,20:19:25:21.22.26|
O=C1NNCc2c1[nH]c1ccc(OCc3ccccc3)cc21
O=C1NCCC2C1Nc1ccc(OCc3ccccc3)cc21 |w:5.4,6.7|
Cc1cc2[nH]c3c(CCNC3=O)c2cc1OCc1ccccc1
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2[nH]c3c(CCNC3=O)c2c1 |THB:2:3:6:10.8.9,8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
COc1ccc2[nH]c3c(CCNC3=O)c2c1
O=C1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21
O=C(Nc1ccc2[nH]c3c(CCNC3=O)c2c1)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,THB:21:20:26:22.23.27,23:22:26.25.24:19,23:24:21.22.27:19|
O=C1NCCc2c1[nH]c1cc(OCc3ccccc3)ccc21
CC(Oc1ccc2[nH]c3c(CCNC3=O)c2c1)C(C)(C)C |w:1.0|
O=C1NCCc2c1[nH]c1cccc(OCc3ccccc3)c21
Oc1ccc2[nH]c3c(CCNC3=O)c2c1
O=C1CCCc2c1[nH]c1ccc(OCc3ccccc3)cc21
O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2[nH]c3c(CCNC3=O)c2c1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(-2.07,-19.86,;-2.06,-21.41,;-3.4,-22.18,;-4.74,-21.42,;-6.1,-22.09,;-7.03,-21,;-7.2,-19.6,;-8.87,-19.1,;-7.82,-20.25,;-7.69,-21.76,;-6.41,-19.53,;-4.85,-19.91,;-5.88,-18.92,;-.72,-22.17,;-.72,-23.71,;.62,-24.48,;1.95,-23.69,;3.42,-24.16,;4.28,-22.89,;3.41,-21.67,;4.03,-20.27,;5.56,-20.09,;6.46,-21.34,;5.85,-22.75,;6.76,-23.99,;1.94,-22.16,;.6,-21.39,)|
O=C1NCc2c1[nH]c1ccc(OCc3ccccc3)cc21
CC(Oc1ccc2[nH]c3c(CCNC3=O)c2c1)c1ccccc1 |w:1.0|
O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc2[nH]c3c(CCNC3=O)c2c1 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
CC(N(C)C(=O)c1ccc2[nH]c3c(CCNC3=O)c2c1)C(C)(C)C |w:1.0|
O=C1NCCc2c1[nH]c1ccc(Oc3ccccc3)cc21
C(Oc1ccc2[nH]c3CNCCc3c2c1)c1ccccc1
NC(C(O)=O)c1cnn(O)c1CCCc1ccccc1 |w:1.0|
NC(C(O)=O)c1cnn(O)c1Br |w:1.0|
NC(C(O)=O)c1cnn(O)c1CCc1ccccc1 |w:1.0|
NC(C(O)=O)c1cnn(O)c1Cc1ccccc1 |w:1.0|
NC(C(O)=O)c1cnn(O)c1-c1ccccc1 |w:1.0|
CCc1c(cnn1O)C(N)C(O)=O |w:8.9|
NC(C(O)=O)c1cnn(O)c1CC1CCCCC1 |w:1.0|
CCCc1c(cnn1O)C(N)C(O)=O |w:9.10|
NC(C(O)=O)c1cnn(O)c1CC1CC1 |w:1.0|
CCCCc1c(cnn1O)C(N)C(O)=O |w:10.11|
NC(C(O)=O)c1cnn(O)c1C(c1ccccc1)c1ccccc1 |w:1.0|
CCCCCc1c(cnn1O)C(N)C(O)=O |w:11.12|
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1-[#7+](-[#8-])=O
[#6]-c1cccc(c1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
[#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
[#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cc(Cl)cc(c1)C#N
[#6]-c1ccc(c(n1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccc(cn1)C#N)-[#7+](-[#8-])=O
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncc(cc1C#N)-c1ccccc1
Cc1cnc(N2CCC\C(C2)=C/C#Cc2cccc(C)n2)c(c1)[N+]([O-])=O
Cc1cccc(n1)C#C\C=C1\CCCN(C1)c1nc(C)ccc1[N+]([O-])=O
[O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)C#Cc1ccccc1
[#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccc1
[#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1
[O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)C#Cc1ccccc1
[O-][N+](=O)c1ccc(C=C)nc1N1CCN(CC1)C(=O)C#Cc1ccccc1
[O-][N+](=O)c1cccnc1N1CCN(CC#Cc2ccccc2)CC1
C[N+](C)([O-])c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12
CN(C)c1ccnc2sc3c(ncn(-c4ccc5cc[nH]c5c4)c3=O)c12
FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc[nH]1)C(O)=O |r|
[H][C@]12C[C@]([H])(C=C1)[C@]1([H])C(=O)N(C(=O)[C@]21[H])c1ccc(NC(=O)c2ccccn2)cc1Cl |r,c:5|
Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ncccc2Cl)cc1Cl
CC1(C)C2C1C(=O)N(C2=O)c1ccc(NC(=O)c2ccccn2)cc1Cl
Clc1cc(NC(=O)c2cnn[nH]2)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2cnc[nH]2)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2cn[nH]c2)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2cncs2)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2cscn2)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2ccno2)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2cocn2)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2ncco2)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2cnco2)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2ccc[nH]2)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2cccs2)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2ccco2)ccc1N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccncc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
Clc1cc(NC(=O)c2coc3ccccc23)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2cc3ccccc3o2)ccc1N1C(=O)c2ccccc2C1=O
Cc1cc(C)c(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Clc1cc(NC(=O)c2occc2-c2ccccc2)ccc1N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Clc1cc(NC(=O)c2ccc(o2)-c2ccccc2)ccc1N1C(=O)c2ccccc2C1=O
CS(=O)(=O)c1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
CN(C)Cc1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
FC(F)(F)c1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Clc1cc(NC(=O)c2ccc(Br)o2)ccc1N1C(=O)c2ccccc2C1=O
Clc1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
CC(C)(C)c1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
CCc1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Cc1ccc(o1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Clc1cc(NC(=O)C2CCCO2)ccc1N1C(=O)c2ccccc2C1=O
Clc1cc(NC(=O)c2csnn2)ccc1N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c2ccccc12
Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(F)c2C1=O
Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(Cl)c2C1=O
Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2cccc(C)c2C1=O
Cc1ccoc1C(=O)Nc1cnc(nc1)N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(F)c2C1=O
Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(Cl)c2C1=O
Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2cccc(C)c2C1=O
Cc1ccoc1C(=O)Nc1ccc(nc1)N1C(=O)c2ccccc2C1=O
Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Fc1ccc(cc1)N1CCn2nc(OCc3ccccc3)cc2C1=O
Fc1ccc2Oc3ccc(F)cc3C(C(=O)Nc3nc(co3)C(F)(F)F)c2c1
Fc1cccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3ccccc3Oc12
Fc1ccc2Oc3ccc(F)cc3C(C(=O)Nc3ncco3)c2c1
Fc1cccc2C(C(=O)Nc3ncc(o3)C(F)(F)F)c3ccccc3Oc12
Fc1cccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3cccc(F)c3Oc12
Fc1cccc2C(C(=O)Nc3ncc(o3)C(F)(F)F)c3cccc(F)c3Oc12
FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc23)no1
Fc1ccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3ccccc3Oc2c1
FC(F)(F)c1cnc(NC(=O)C2c3ccccc3Oc3ccccc23)o1
Fc1ccc2Oc3ccccc3C(C(=O)Nc3ncc(o3)C(F)(F)F)c2c1
Fc1ccc2Oc3ccccc3C(C(=O)Nc3nc(co3)C(F)(F)F)c2c1
CN(C)c1cc2c(NC3CCCCC3)ncnc2cn1
C[C@H](Nc1ncnc2cnc(cc12)N(C)C)c1ccccc1 |r|
CCCC(C)Nc1ncnc2cnc(cc12)N(C)C
CN(C)c1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
CN(C)c1cc2c(ncnc2cn1)N(C)C1Cc2ccccc2C1
CNc1cc2c(ncnc2cn1)N(C)C1Cc2ccccc2C1
CNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
COc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
C1CCC(CC1)Nc1ncnc2ccccc12
C1CCC(CC1)Nc1ccnc2ccccc12
C1CCC(CC1)Oc1ncnc2ccccc12
C1C(Cc2ccccc12)Nc1ncnc2ccccc12
C1C(Cc2ccccc12)Nc1nccc2ccccc12
CNc1ncnc2cnc(NC3Cc4ccccc4C3)cc12
OCCNc1ncnc2cnc(NC3Cc4ccccc4C3)cc12
OCCNc1cc2c(NCCO)ncnc2cn1
C1C(Cc2ccccc12)Nc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
OCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
COCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
CN(C)CCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
COCCNc1cc2c(NC3CCCCC3)ncnc2cn1
OCCOc1cc2c(NC3CCCCC3)ncnc2cn1
COCCOc1cc2c(NC3CCCCC3)ncnc2cn1
OCCCOc1cc2c(NC3CCCCC3)ncnc2cn1
O=C1CCCN1CCOc1cc2c(NC3CCCCC3)ncnc2cn1
NCCNc1cc2c(NC3CCCCC3)ncnc2cn1
NCCCNc1cc2c(NC3CCCCC3)ncnc2cn1
C(CN1CCOCC1)Nc1cc2c(NC3CCCCC3)ncnc2cn1
C(CN1CCOCC1)Oc1cc2c(NC3CCCCC3)ncnc2cn1
C(CN1CCOCC1)Oc1cc2c(NC3CCCCCC3)ncnc2cn1
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(Cl)cc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2nccn2C)cc1Cl
Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(NC(=O)c2nccn2C)cc1Cl
Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1
Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1
Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1
Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(C)cc3C2=O)c(Cl)c1
CN1CCC[C@H]1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 |r|
CN1CCC[C@@H]1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 |r|
Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Cc1ncsc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Cc1ncoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Cc1sccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Cc1ccsc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Cn1cccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Cc1[nH]ccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Cc1cc[nH]c1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(F)c2C1=O
N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O |r|
CC1(C)CC(N)(C(O)=O)c2ccc(cc2O1)C(O)=O
CC[C@H](C[C@H](N)C(O)=O)C(O)=O
CCC[C@H](C[C@H](N)C(O)=O)C(O)=O
N[C@@H](C[C@@H](CC(O)=O)C(O)=O)C(O)=O |r|
N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
COC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O
N[C@@H](C[C@@H](CCC(N)=O)C(O)=O)C(O)=O |r|
CNC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O
N[C@@H](C[C@@H](CCC(=O)NO)C(O)=O)C(O)=O |r|
CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O
N[C@@H](C[C@@H](CCC#N)C(O)=O)C(O)=O |r|
NCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
NCCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
[H][C@@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
[H][C@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
Cc1ccoc1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1
Clc1cccc2CN(C(=O)c12)c1ccc(NC(=O)c2ncccc2Cl)cc1Cl
Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1
Cc1scnc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2)c(Cl)c1
Cc1scnc1C(=O)Nc1ccc(N2Cc3c(cccc3Cl)C2=O)c(Cl)c1
Cc1scnc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)Cc3ccccc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)Cc3ccccc3CC2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)Cc3ccccc23)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)CCc3ccccc23)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccnc3C2)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2CCOc3ccccc23)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2CCOc3ncccc23)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2CCc3ccccc23)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3Cl)C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3cc(Cl)ccc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3C)C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3F)C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3Br)C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3C(F)(F)F)C2=O)c(Cl)c1
COc1cccc2C(=O)N(Cc12)c1ccc(NC(=O)c2occc2C)cc1Cl
Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccnc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2CCc3ccccc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(cc1)N1Cc2ccccc2C1=O
Cc1ccoc1C(=O)Nc1ccc(N2CCc3ccccc3C2)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(cc1)N1Cc2cccc(Cl)c2C1=O
Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1Cl
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1Cc2ccccc2C1=O
Cc1cccnc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1Cc2cccc(Cl)c2C1=O
Cc1cccnc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1
Cc1cccnc1C(=O)Nc1ccc(N2Cc3c(cccc3Cl)C2=O)c(Cl)c1
Clc1cccnc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1
Clc1cccc2C(=O)N(Cc12)c1ccc(NC(=O)c2ncccc2Cl)cc1Cl
[H][C@@]12CCCC[C@]1([H])C(=O)N(C2=O)c1ccc(NC(=O)c2occc2C)cc1Cl |r|
[H][C@@]12CCCC[C@@]1([H])C(=O)N(C2=O)c1ccc(NC(=O)c2occc2C)cc1Cl |r|
Cc1ccoc1C(=O)Nc1ccc(NC(=O)c2ccccc2C(O)=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3Cl)C2=O)c(Cl)c1Cl
Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)c(Cl)c1Cl
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1Cc2c(cccc2Cl)C1=O
Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3C#N)C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3ncccc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3nccnc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2(C)C)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(cc1)N1Cc2c(cccc2Cl)C1=O
C1C2CC3CC1CC(C2)(C3)Nc1ncnc2c1nn1ccccc21 |TLB:8:7:0.1.2:4,10:7:0.1.2:4,THB:8:1:4:7.6.9,2:1:6:3.4.9,2:3:6:0.1.8|
C[C@@H](Nc1ncnc2c1nn1ccccc21)C1CC1 |r|
C[C@H](Nc1ncnc2c1nn1ccccc21)C(C)(C)C |r|
C[C@@H](Nc1ncnc2c1nn1ccccc21)C(C)(C)C |r|
C[C@H](Nc1ncnc2c1nn1ccccc21)C1CCCCC1 |r|
CC1(C)CCC(CC1)Nc1ncnc2c1nn1ccccc21
COCCNc1nc(N[C@H]2CC[C@H](C)CC2)c2nn3ccccc3c2n1 |r,wU:9.8,wD:12.12,(-7.65,6.19,;-6.57,5.56,;-6.57,4,;-5.21,3.21,;-5.22,1.65,;-3.86,.86,;-3.86,-.63,;-2.6,-1.38,;-2.63,-2.94,;-4,-3.7,;-4.04,-5.26,;-5.41,-6.01,;-6.75,-5.2,;-7.85,-5.8,;-6.71,-3.64,;-5.34,-2.89,;-1.28,-.63,;,-1.38,;1.28,-.63,;2.58,-1.38,;3.9,-.63,;3.9,.86,;2.58,1.61,;1.28,.86,;-1.28,.86,;-2.6,1.61,)|
C[C@H](Nc1ncnc2c1nn1ccccc21)C1CC1 |r|
CNc1nc(N[C@H]2CC[C@H](C)CC2)c2nn3ccccc3c2n1 |r,wU:6.5,wD:9.9,(-5.3,2.95,;-5.3,1.67,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-2.68,-2.99,;-4.07,-3.76,;-4.1,-5.35,;-5.5,-6.11,;-6.86,-5.29,;-7.98,-5.9,;-6.82,-3.7,;-5.43,-2.93,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,;-1.3,.87,;-2.64,1.63,)|
C[C@H]1CC[C@@H](CC1)Nc1nc(N)nc2c1nn1ccccc21 |r,wU:4.7,wD:1.0,(-7.98,-5.9,;-6.86,-5.29,;-5.5,-6.11,;-4.1,-5.35,;-4.07,-3.76,;-5.43,-2.93,;-6.82,-3.7,;-2.68,-2.99,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-5.03,1.51,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
[H][C@@]12CC[C@](C)([C@H](C1)Nc1nc(C)nc3c1nn1ccccc31)C2(C)C |r,TLB:8:6:2.3:23|
C[C@H]1CC[C@@H](CC1)Nc1nc(C)nc2c1nn1ccccc21 |r,wU:4.7,wD:1.0,(-7.98,-5.9,;-6.86,-5.29,;-5.5,-6.11,;-4.11,-5.35,;-4.07,-3.76,;-5.43,-2.93,;-6.82,-3.7,;-2.68,-2.99,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-5.03,1.51,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
[H][C@@]12CC[C@](C)([C@H](C1)Nc1ncnc3c1nn1ccccc31)C2(C)C |r,TLB:8:6:2.3:22|
[H][C@@]12C[C@@]([H])([C@H](C)[C@H](C1)Nc1ncnc3c4ccccn4nc13)C2(C)C |r|
[H][C@]12C[C@]([H])([C@@H](C)[C@@H](C1)Nc1ncnc3c4ccccn4nc13)C2(C)C |r|
C[C@H]1CC[C@@H](CC1)Nc1ncnc2c1nn1ccccc21 |r,wU:4.7,wD:1.0,(-7.98,-5.9,;-6.86,-5.29,;-5.5,-6.11,;-4.1,-5.35,;-4.07,-3.76,;-5.43,-2.93,;-6.82,-3.7,;-2.68,-2.99,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
OCCSc1nc2CCCCc2c(NC2Cc3ccccc3C2)n1
CC(C)Nc1nc(N[C@H]2CC[C@H](C)CC2)c2nn3ccccc3c2n1 |r,wU:8.7,wD:11.11,(-6.4,3.9,;-5.3,3.27,;-4.2,3.9,;-5.3,1.67,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-2.68,-2.99,;-4.07,-3.76,;-4.11,-5.35,;-5.5,-6.11,;-6.86,-5.29,;-7.98,-5.9,;-6.82,-3.7,;-5.43,-2.93,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,;-1.3,.87,;-2.64,1.63,)|
C[C@@H](Nc1ncnc2c1nn1ccccc21)C1CCCCC1 |r|
CC(C)(C)CCNc1ncnc2c1nn1ccccc21
Nc1nc(NC2C3CC4CC(C3)CC2C4)c2nn3ccccc3c2n1 |TLB:4:5:7:10.9.11,THB:9:10:5:7.8.14,9:8:5:10.12.11,12:10:7:5.13.14,12:13:7:10.9.11|
OC12CC3CC(C1)CC(C3)(C2)Nc1ncnc2c1nn1ccccc21 |TLB:0:1:4:8.7.9,11:8:4:2.1.6,THB:9:8:4.3.2:6,9:3:6:8.7.10,10:8:4:2.1.6,10:1:4:8.7.9,11:8:4.3.2:6|
[H][C@@]12CC[C@@]([H])(C1)[C@H](C2)Nc1ncnc2c1nn1ccccc21 |r|
C1CCCC(CC1)Nc1ncnc2c1nn1ccccc21
[H][C@]12C[C@]([H])([C@@H](C)[C@@H](C1)Nc1nc(C)nc3c4ccccn4nc13)C2(C)C |r|
C1CCC(CC1)Nc1ncnc2c1nn1ccccc21
C[C@H]1CC[C@@H](CC1)Nc1nc(nc2c1nn1ccccc21)N(C)C |r,wU:4.7,wD:1.0,(-7.98,-5.9,;-6.86,-5.29,;-5.5,-6.11,;-4.1,-5.35,;-4.07,-3.76,;-5.43,-2.93,;-6.82,-3.7,;-2.68,-2.99,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,;-5.3,1.67,;-5.3,2.95,;-6.41,1.04,)|
C1C2CC3CC1CC(C2)C3Nc1ncnc2c1nn1ccccc21 |TLB:4:3:8:5.0.6,THB:9:3:0:8.7.6,9:7:2.3.4:0,4:5:9.2.3:8,10:9:8:5.0.6|
CCC(C)(C)Nc1ncnc2c1nn1ccccc21
C1C(Cc2ccccc12)Nc1ncnc2c1nn1ccccc21
C1CCCC(CCC1)Nc1ncnc2c1nn1ccccc21
FC1(F)CCC(CC1)Nc1ncnc2c1nn1ccccc21
O=C(C=Cc1cnc2ccccc2c1)C1CC1 |w:3.3|
CC(C)(C)C(=O)\C=C\c1cnc2ccccc2c1
O=C(\C=C\c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 |THB:19:18:15:21.20.22,19:20:17.18.23:15,1:14:17:21.19.20,22:20:17:23.14.15,22:14:17:21.19.20|
O=C(\C=C\c1cnc2OCCOc2c1)C12CC3CC(CC(C3)C1)C2 |THB:1:14:17:21.19.20,19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
COc1ncc(\C=C\C(=O)C23CC4CC(CC(C4)C2)C3)cc1C |THB:8:10:13:17.15.16,15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
O=C(C1CC1c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 |THB:20:19:16:22.21.23,20:21:18.19.24:16,1:15:18:22.20.21,23:21:18:24.15.16,23:15:18:22.20.21|
O=C(C1CC1c1cccnc1)C12CC3CC(CC(C3)C1)C2 |THB:1:11:14:18.16.17,16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
COc1ccc(cn1)C1CC1C(=O)C12CC3CC(CC(C3)C1)C2 |THB:11:13:16:20.18.19,18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Fc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
N[C@@]1(C[C@@H](N(Cc2ccccc2-c2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(C1)C(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O |r|
N[C@@]1(C[C@@H](N(CCc2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CCCc2ccccc2)C1)C(O)=O)C(O)=O
CCN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc3ccccc3c2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(Cl)cc2Cl)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CC2CCCCC2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(Cl)c(Cl)c2)C1)C(O)=O)C(O)=O
CN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccccc2Cl)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2cccc3ccccc23)C1)C(O)=O)C(O)=O
C[C@H](Nc1ccc(cc1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(cc2)-c2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2ccc(Cl)cc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2cccc(Cl)c2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(CCC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](N(Cc2c(Cl)cccc2Cl)C1)C(O)=O)C(O)=O
N[C@@H]([C@H](O)[C@H](O)C(O)=O)C(O)=O
[NH3+][C@@H](C[C@@H](O)C(O)=O)C([O-])=O
[NH3+][C@@H](C[C@H](O)C(O)=O)C([O-])=O
COc1cccc(c1)C(=O)N[C@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N
Cc1o[nH]c(=O)c1C[C@@H](N)C(O)=O
Cc1o[nH]c(=O)c1CCC(N)C(O)=O
NC(CCCCCC(O)=O)C(O)=O
N[C@@H](CC(O)=O)C(O)=O
Cc1o[nH]c(=O)c1CCCCC(N)C(O)=O
C(CCC(=O)O)C[C@H](C(=O)O)N
Cc1o[nH]c(=O)c1CCCC(N)C(O)=O
C([C@H](C(=O)O)N)C(=O)O
Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O
N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
N[C@]1(C[C@H]2C[C@@H]1[C@@H]2C(O)=O)C(O)=O
N[C@]1(C[C@@H]2C[C@H]1[C@@H]2C(O)=O)C(O)=O
N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O
CCC1=C(C(N2C=C(SC2=N1)c1c(Cl)cccc1Cl)c1ccccc1OC)C(=O)OCN(C)C |c:6,10,t:2|
N[C@@]1(C2C(C[C@H]1O)[C@@H]2C(O)=O)C(O)=O
NC1(CCc2cc(ccc12)P(O)(O)=O)C(O)=O
N[C@]1(CSC2[C@@H](C12)C(O)=O)C(O)=O
Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
N[C@@H](CCn1oc(=O)[nH]c1=O)C(O)=O
N[C@]1(CCC2C[C@@H](C12)C(O)=O)C(O)=O
NC(CC1c2ccccc2Sc2ccccc12)(C(O)=O)c1ccc(cc1)C(O)=O
C[C@](N)(Cn1c(=O)[nH]oc1=O)C(O)=O
C[C@@H](C[C@H](N)C(O)=O)C(O)=O
NC(C(O)=O)c1cc(O)cc(O)c1Cl
N[C@@](CC1c2ccccc2Sc2ccccc12)([C@@H]1C[C@@H](C1)C(O)=O)C(O)=O |wU:19.24,17.20,1.0,wD:1.1,(-1.1,-9.45,;.38,-9.45,;.38,-10.93,;.4,-12.48,;-.94,-13.25,;-2.28,-12.5,;-3.62,-13.28,;-3.6,-14.82,;-2.27,-15.58,;-.94,-14.81,;.4,-15.58,;1.74,-14.79,;3.09,-15.58,;4.45,-14.79,;4.43,-13.22,;3.09,-12.45,;1.74,-13.24,;.35,-6.51,;1.36,-5.43,;.28,-4.43,;-.73,-5.52,;.23,-2.96,;1.48,-2.17,;-1.08,-2.26,;1.67,-8.73,;1.29,-6.9,;3.27,-8.08,)|
NN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O
N[C@@H](CC(=C)C(O)=O)C(O)=O
N[C@]1(CC[C@@H](CC(O)=O)C1)C(O)=O
NC(C(O)=O)c1cccc(O)c1
NC1(C[C@@H]([C@H](C1)C(O)=O)C(O)=O)C(O)=O
N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|
CCc1cc2cc(ccc2nc1I)C(=O)C1CCC(CC1)OC |(7.72,.65,;6.37,1.42,;5.03,.65,;3.7,1.42,;2.37,.65,;1.04,1.42,;-.3,.65,;-.3,-.9,;1.03,-1.67,;2.37,-.9,;3.7,-1.67,;5.05,-.9,;6.38,-1.67,;-1.63,1.42,;-1.61,2.96,;-2.97,.65,;-4.3,1.42,;-5.63,.65,;-5.63,-.9,;-4.3,-1.67,;-2.97,-.9,;-6.97,-1.67,;-8.3,-.9,)|
CCc1cc2cc(ccc2nc1OC)C(=O)C1CCC(CC1)OC |(7.38,.69,;6.04,1.46,;4.7,.68,;3.38,1.45,;2.05,.68,;.71,1.45,;-.61,.68,;-.63,-.86,;.71,-1.63,;2.05,-.86,;3.38,-1.63,;4.72,-.86,;6.04,-1.63,;7.38,-.86,;-1.95,1.45,;-1.94,2.99,;-3.29,.68,;-3.29,-.86,;-4.61,-1.62,;-5.94,-.86,;-5.94,.68,;-4.61,1.46,;-7.28,-1.63,;-8.6,-.86,)|
CCc1cc2cc(ccc2nc1C)C(=O)CCc1ccccc1
CCc1cc2cc(ccc2nc1CC)C(=O)C1CCC(CC1)OC |(7.38,.69,;6.04,1.46,;4.7,.68,;3.38,1.45,;2.05,.68,;.71,1.45,;-.61,.68,;-.63,-.86,;.71,-1.63,;2.05,-.86,;3.38,-1.63,;4.72,-.86,;6.04,-1.63,;7.38,-.86,;-1.95,1.45,;-1.94,2.99,;-3.29,.68,;-3.29,-.86,;-4.61,-1.62,;-5.94,-.86,;-5.94,.68,;-4.61,1.46,;-7.28,-1.63,;-8.6,-.86,)|
CCc1cc2cc(ccc2nc1C)C(=O)C1Cc2ccccc2C1
CCc1cc2cc(ccc2nc1C)C(=O)C1CCNCC1
CCc1cc2cc(ccc2nc1C)C(=O)Cc1ccc(OC)c(OC)c1
CCc1cc2cc(ccc2nc1-c1cccs1)C(=O)C1CCC(CC1)OC |(6.54,1.02,;5.19,1.79,;3.86,1.02,;2.53,1.77,;1.2,1,;-.12,1.77,;-1.46,1,;-1.46,-.54,;-.12,-1.31,;1.2,-.54,;2.53,-1.31,;3.88,-.54,;5.23,-1.31,;5.37,-2.83,;6.89,-3.15,;7.65,-1.83,;6.61,-.68,;-2.78,1.79,;-2.77,3.33,;-4.11,1.02,;-5.45,1.79,;-6.77,1.02,;-6.77,-.52,;-5.45,-1.29,;-4.11,-.52,;-8.11,-1.29,;-9.44,-.52,)|
CCc1cc2cc(ccc2nc1OC)C(N=N)[C@@H]1CC[C@@H](CC1)OC |wU:17.18,20.25,(6.21,2.84,;6.19,1.3,;4.86,.53,;3.51,1.3,;2.18,.53,;.85,1.3,;-.48,.53,;-.48,-1.01,;.85,-1.78,;2.18,-1.01,;3.51,-1.78,;4.86,-1.01,;6.19,-1.8,;6.19,-3.34,;-1.84,1.3,;-1.84,2.84,;-.51,3.61,;-3.17,.53,;-4.48,1.3,;-5.85,.53,;-5.85,-1.01,;-4.48,-1.78,;-3.17,-1.01,;-7.18,-1.8,;-8.53,-1.01,)|
CCc1cc2cc(ccc2nc1NCCOC)C(=O)C1CCC(CC1)OC |(6.25,.83,;4.92,1.61,;3.58,.83,;2.26,1.6,;.93,.83,;-.4,1.6,;-1.73,.83,;-1.74,-.71,;-.41,-1.49,;.93,-.71,;2.26,-1.49,;3.58,-.71,;4.93,-1.49,;6.26,-.71,;7.61,-1.47,;8.94,-.71,;10.27,-1.47,;-3.07,1.61,;-3.07,3.14,;-4.4,.83,;-5.73,1.61,;-7.06,.83,;-7.06,-.71,;-5.73,-1.47,;-4.4,-.71,;-8.39,-1.47,;-9.72,-.71,)|
CCc1cc2cc(ccc2nc1C)C(=O)C1CCC(O)CC1 |(7.34,.62,;5.99,1.39,;4.66,.62,;3.33,1.37,;2,.6,;.66,1.37,;-.67,.6,;-.67,-.94,;.66,-1.71,;2,-.94,;3.34,-1.71,;4.68,-.94,;6.02,-1.69,;-2,1.37,;-2,2.91,;-3.34,.6,;-4.68,1.37,;-6.01,.6,;-6.02,-.94,;-7.36,-1.69,;-4.68,-1.71,;-3.34,-.94,)|
CCc1cc2cc(ccc2nc1C)C(=O)C1COc2ccccc2O1
Cc1cc2cc(ccc2[nH]c1=O)C(C)(C#N)c1ccccc1
CCc1cc2cc(ccc2nc1C)C(=O)C1CC2CCC1C2
CCCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:16.17,19.24,(8.65,1.46,;7.33,.67,;5.99,1.42,;4.66,.65,;3.3,1.39,;1.98,.6,;.64,1.35,;-.67,.56,;-.67,-.97,;.66,-1.74,;1.99,-.94,;3.35,-1.71,;4.67,-.92,;6.01,-1.68,;-2.01,1.31,;-2.02,2.85,;-3.33,.55,;-4.69,1.31,;-5.99,.55,;-5.99,-1,;-4.69,-1.76,;-3.33,-1,;-7.33,-1.76,;-8.68,-1,)|
O=C(Cc1ccccc1)c1ccc2cc3CCCOc3nc2c1
CCc1cc2cc(ccc2n2nnnc12)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:17.19,20.26,(7.33,1,;5.98,1.74,;4.65,.97,;3.3,1.72,;1.98,.93,;.64,1.68,;-.67,.9,;-.67,-.64,;.66,-1.41,;1.99,-.61,;3.34,-1.38,;3.69,-2.88,;5.23,-3.02,;5.83,-1.59,;4.67,-.59,;-2.01,1.65,;-2.02,3.19,;-3.34,.88,;-4.68,1.65,;-5.99,.88,;-5.99,-.66,;-4.68,-1.43,;-3.34,-.66,;-7.33,-1.43,;-8.67,-.66,)|
CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3CCCc3cc2c1 |wU:5.8,2.1,(-8.28,-.89,;-6.95,-1.66,;-5.62,-.89,;-5.62,.65,;-4.31,1.42,;-2.96,.65,;-2.96,-.89,;-4.31,-1.66,;-1.63,1.42,;-1.65,2.96,;-.3,.67,;-.3,-.87,;1.03,-1.64,;2.36,-.85,;3.72,-1.62,;5.05,-.82,;6.52,-1.29,;7.43,-.03,;6.49,1.23,;5.02,.74,;3.67,1.49,;2.36,.69,;1.01,1.44,)|
O=C(CCc1ccccc1)c1ccc2nc3OCCCc3cc2c1
CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3CCCCCc3cc2c1 |wU:5.8,2.1,(-8.93,-.94,;-7.6,-1.71,;-6.27,-.94,;-6.27,.6,;-4.96,1.37,;-3.61,.6,;-3.61,-.94,;-4.96,-1.71,;-2.28,1.37,;-2.29,2.91,;-.93,.62,;-.93,-.92,;.38,-1.69,;1.71,-.89,;3.06,-1.66,;4.39,-.87,;5.74,-1.62,;7.23,-1.22,;7.99,.13,;7.01,1.79,;5.47,1.79,;4.37,.69,;3.02,1.44,;1.71,.65,;.37,1.39,)|
CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3SCCc3cc2c1 |wU:5.8,2.1,(-8.35,-.82,;-7.02,-1.59,;-5.67,-.82,;-5.67,.72,;-4.36,1.49,;-3.03,.72,;-3.03,-.82,;-4.36,-1.59,;-1.68,1.49,;-1.7,3.03,;-.34,.74,;-.34,-.82,;.98,-1.57,;2.31,-.78,;3.66,-1.56,;4.98,-.75,;6.32,-1.5,;7.65,-.71,;7.65,.83,;4.97,.79,;3.62,1.54,;2.31,.75,;.96,1.51,)|
CCc1cc2cc(ccc2nc1Cl)C(=O)C1CCC(CC1)OC |(7.72,.65,;6.37,1.42,;5.03,.65,;3.7,1.42,;2.37,.65,;1.04,1.42,;-.3,.65,;-.3,-.9,;1.03,-1.67,;2.37,-.9,;3.7,-1.67,;5.05,-.9,;6.38,-1.67,;-1.63,1.42,;-1.61,2.96,;-2.97,.65,;-4.3,1.42,;-5.63,.65,;-5.63,-.9,;-4.3,-1.67,;-2.97,-.9,;-6.97,-1.67,;-8.3,-.9,)|
CCc1cc2cc(ccc2nc1C)C(=O)Cc1ccccc1
CCc1cc2cc(ccc2nc1C)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:22:21:24:16.17.18,THB:20:21:16:24.19.18|
CCc1cc2cc(ccc2[nH]c1=O)C(=O)C1CCC(CC1)OC |(7.72,.65,;6.37,1.42,;5.03,.65,;3.7,1.42,;2.37,.65,;1.04,1.42,;-.3,.65,;-.3,-.9,;1.03,-1.67,;2.37,-.9,;3.7,-1.67,;5.05,-.9,;6.38,-1.67,;-1.63,1.42,;-1.61,2.96,;-2.97,.65,;-2.97,-.9,;-4.3,-1.67,;-5.63,-.9,;-5.63,.65,;-4.3,1.42,;-6.97,-1.67,;-8.3,-.9,)|
CCc1cc2cc(ccc2nc1C)C(=O)C[C@H]1CC[C@H](CC1)OC |wU:16.17,19.24,(8.29,-.31,;6.93,.46,;5.6,-.31,;4.26,.44,;2.93,-.34,;1.6,.44,;.27,-.34,;.27,-1.88,;1.6,-2.65,;2.93,-1.88,;4.29,-2.65,;5.62,-1.88,;6.95,-2.63,;-1.07,.44,;-1.07,1.98,;-2.4,-.34,;-3.73,.44,;-5.09,-.34,;-6.42,.44,;-6.42,1.98,;-5.09,2.66,;-3.76,1.98,;-7.73,2.8,;-8.83,1.7,)|
CCc1cc2cc(ccc2nc1-c1[nH+]ccs1)C(=O)C1CCC(CC1)OC |(6.55,1.04,;5.22,1.79,;3.87,1.02,;2.55,1.79,;1.21,1.02,;-.12,1.79,;-1.46,1.02,;-1.46,-.52,;-.13,-1.31,;1.21,-.52,;2.55,-1.31,;3.87,-.52,;5.24,-1.31,;5.4,-2.85,;6.92,-3.17,;7.67,-1.82,;6.65,-.68,;-2.79,1.79,;-2.77,3.35,;-4.14,1.02,;-5.47,1.79,;-6.79,1.02,;-6.79,-.52,;-5.47,-1.3,;-4.14,-.52,;-8.13,-1.3,;-9.47,-.52,)|
O=C(Cc1ccsc1)c1ccc2nc3OCCCc3cc2c1
CCc1cnc2ccc(cc2c1)C(=O)C1CCC(CC1)OC |(8,.58,;6.65,1.35,;5.33,.56,;5.34,-.98,;3.98,-1.75,;2.65,-.98,;1.32,-1.75,;-.02,-.98,;,.56,;1.33,1.33,;2.65,.56,;3.98,1.33,;-1.35,1.33,;-1.32,2.88,;-2.68,.56,;-2.68,-.98,;-4.01,-1.74,;-5.33,-.98,;-5.33,.56,;-4.01,1.35,;-6.68,-1.75,;-8.01,-.98,)|
CCc1cc2cc(ccc2nc1C)C(=O)Cc1ccc(cc1)N(C)C
CCc1cc2cc(ccc2nc1C)C(=O)CC(C)C
CCc1cc2cc(ccc2nc1C)C(=O)C1CCN(CC1)C(=O)OC(C)(C)C
CCCc1ccc2cc(ccc2n1)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:15.16,18.23,(8.94,-1.38,;7.59,-.61,;6.26,-1.41,;4.92,-.66,;4.91,.9,;3.55,1.65,;2.24,.86,;.89,1.61,;-.41,.83,;-.41,-.71,;.92,-1.48,;2.25,-.68,;3.6,-1.45,;-1.74,1.58,;-1.77,3.12,;-3.07,.81,;-4.43,1.58,;-5.73,.81,;-5.73,-.73,;-4.43,-1.5,;-3.07,-.73,;-7.06,-1.5,;-8.4,-.73,)|
CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3N(C)CCCc3cc2c1 |wU:5.8,2.1,(-8.84,-.78,;-7.51,-1.55,;-6.18,-.78,;-6.18,.76,;-4.85,1.53,;-3.52,.76,;-3.52,-.78,;-4.85,-1.55,;-2.19,1.53,;-2.22,3.07,;-.86,.79,;-.86,-.75,;.47,-1.52,;1.8,-.73,;3.15,-1.49,;4.48,-.7,;5.82,-1.45,;5.83,-2.99,;7.15,-.66,;7.12,.88,;5.79,1.65,;4.44,.84,;3.11,1.61,;1.8,.82,;.45,1.58,)|
CCc1cc2cc(ccc2nc1C)C(=O)C1COc2ccccc2C1
CCc1cc2cc(ccc2nc1C)C(=O)Cc1cccc(OC)c1
CCc1cc2cc(ccc2nc1OC)C(=C)[C@@H]1CC[C@@H](CC1)OC |wU:16.17,19.24,(6.17,2.98,;6.17,1.46,;4.82,.69,;3.5,1.46,;2.16,.69,;.84,1.46,;-.5,.69,;-.5,-.85,;.84,-1.61,;2.16,-.85,;3.5,-1.61,;4.82,-.85,;6.17,-1.64,;6.15,-3.17,;-1.84,1.46,;-1.85,2.98,;-3.17,.69,;-4.51,1.46,;-5.84,.69,;-5.84,-.87,;-4.49,-1.64,;-3.17,-.87,;-7.19,-1.64,;-8.54,-.87,)|
CCc1cc2cc(ccc2nc1OC)C(N=O)[C@@H]1CC[C@@H](CC1)OC |wU:17.18,20.25,(6.21,2.84,;6.19,1.3,;4.86,.53,;3.51,1.3,;2.18,.53,;.85,1.3,;-.48,.53,;-.48,-1.01,;.85,-1.78,;2.18,-1.01,;3.51,-1.78,;4.86,-1.01,;6.19,-1.8,;6.19,-3.34,;-1.84,1.3,;-1.84,2.84,;-.51,3.61,;-3.17,.53,;-4.48,1.3,;-5.85,.53,;-5.85,-1.01,;-4.48,-1.78,;-3.17,-1.01,;-7.18,-1.8,;-8.53,-1.01,)|
N[C@@H]([C@@H]1C[C@H]1P(O)(O)=O)C(O)=O
N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
COc1cccc(OCC#Cc2cccc(C)n2)c1
COc1cccc(OCC#Cc2ccccn2)c1
NC([C@@H]1[C@@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC([C@H]1[C@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC([C@H]1[C@@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC([C@@H]1[C@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
N[C@@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
N[C@@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
N[C@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
N[C@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
N[C@@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
CC1(C)CC(=O)c2cc(C#N)c(NCc3ccccc3)nc2C1
CCCCCCNc1nc2CC(C)(C)CC(=O)c2cc1C#N
CC1(C)CC(=O)c2cc(C#N)c(NC34CC5CC(CC(C5)C3)C4)nc2C1 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
CC1(C)CC(=O)c2cc(Cl)c(NC3CCCC3)nc2C1
CC1(C)CC(=O)c2cc(C#N)c(SCc3ccccc3)nc2C1
O=C(NC12CC3CC(CC(C3)C1)C2)c1cnccn1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
CC1(C)CC(=O)c2ccc(NCc3ccccc3)nc2C1
O=C1CCCc2nc(NC3CCCCCC3)c(cc12)C#N
O=C1CCCc2nc(NC3CCCCC3)c(cc12)C#N
CC1(C)CC(=O)c2cc(c(NC3CCC(=CC3)c3ccc(F)cc3)nc2C1)[N+]([O-])=O |w:11.10,c:14|
CC1(C)CC(=O)c2cc(C#N)c(NC3Cc4ccccc4C3)nc2C1
CC1(C)CC(=O)c2ccc(OCc3ccccc3)nc2C1
CCCNc1nc2CC(C)(C)CC(=O)c2cc1C#N
CCCCNc1nc2CC(C)(C)CC(=O)c2cc1C#N
O=C1CCCc2nc(ccc12)N1CCN(CC1)c1ccccc1
O=C1CCCc2nc(OCc3ccccc3)ccc12
CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCN(CC1)c1ccccc1
CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCc2ccccc2C1
COc1ccc(cc1)N1CCN(CC1)c1nc2CC(C)(C)CC(=O)c2cc1C#N
CN(C)C(=O)c1cc2C(=O)CC(C)(C)Cc2nc1NC1CCCC1
O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2c1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
CCc1cc2cc(ccc2nc1C)C(=O)C1CCC(CC1)OC |(-9.6,3.19,;-8.27,3.96,;-6.93,3.19,;-5.6,3.96,;-4.27,3.2,;-2.94,3.97,;-1.61,3.21,;-1.6,1.66,;-2.93,.89,;-4.27,1.65,;-5.6,.87,;-6.93,1.64,;-8.27,.88,;-.28,3.99,;-.29,5.53,;1.06,3.22,;1.06,1.68,;2.39,.92,;3.73,1.69,;3.72,3.23,;2.38,4,;5.06,.92,;5.07,-.62,)|
CCc1nc(C#N)c(nc1C)N1CCc2ccccc2CC1
CC1(C)CC(=O)c2cc(C#N)c(NC3CCCCC3)nc2C1
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
CN(Cc1ccccc1)c1nc2CCCC(=O)c2cc1C#N
CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCC(=CC1)c1ccc(F)cc1 |c:20|
CC1(C)CC(=O)c2cc(C#N)c(NC3CCCC3)nc2C1
O=C1CCCc2nc(SCc3ccccc3)c(cc12)C#N
CN(Cc1ccccc1)c1nc2CC(C)(C)CC(=O)c2cc1C#N
CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCN(CC1)c1ccc(F)cc1
CC1(C)CC(=O)c2cc(C(O)=O)c(NC3CCCC3)nc2C1
CC1(C)CC(=O)c2cc(-c3nnn[nH]3)c(NC3CCCC3)nc2C1
CC1(C)CC(=O)c2cc(N3CCOCC3)c(nc2C1)N1CCC(=CC1)c1ccc(F)cc1 |c:25|
COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1
Cc1c(sc2nc3ccc(N)cc3n12)C(=O)NC1CCCCC1
NC(C1CC(C1)C(O)=O)(C1c2ccccc2Sc2ccccc12)C(O)=O |w:1.0,(-.99,1.85,;.35,1.08,;1.11,2.41,;2.59,2.84,;2.17,4.34,;.71,3.93,;2.92,5.68,;4.45,5.7,;2.13,7,;1.68,.31,;1.7,-1.23,;.37,-2,;.37,-3.54,;1.7,-4.31,;3.04,-3.54,;3.04,-1.99,;4.36,-1.22,;4.36,.32,;5.69,1.09,;5.68,2.63,;4.34,3.4,;3.02,2.62,;3.02,1.09,;-.99,.32,;-2.31,1.09,;-1,-1.22,)|
C[C@@](N)(C(O)=O)c1ccc(cc1)C(O)=O
CC(C)N(C)C(=O)C1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |w:7.6,c:10|
N[C@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|
N[C@@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|
N[C@@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|
N[C@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|
CCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
CC1CCCN(C1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
N[C@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
N[C@@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
N[C@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
COc1ccc(cc1)-c1nsc(NC(=O)[C@H]2C[C@@H]2C)c1C |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccccc1 |r|
CCOc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
COc1ccc(cc1F)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(F)cc1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)cc1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Br)cc1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)c(Cl)c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(cc1)C(C)(F)F |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(O)cc1 |r|
O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccn1 |r|
COc1ccc(cc1)C(=O)N(C)c1nc(cs1)-c1cc(NC(C)C)ncn1
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCF)cc1
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCCF)cc1
C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|
OC(=O)c1cc(ccc1Cl)-c1cccc(c1)-c1ccc2C(=O)N(Cc2c1)C1CCCC1
COc1ccc(cc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CC2)c3=O)c1
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(cc1)C#N
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(C)cc1
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(Cl)cc1
N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O |r,wD:1.0,(-9.37,16.3,;-10.74,15.01,;-10.16,13.1,;-10.55,11.61,;-8.66,13.5,;-12.33,15.27,;-13.66,14.5,;-14.05,15.98,;-12.72,16.76,;-13.49,18.08,;-13.48,16.44,;-14.82,15.77,;-14.82,17.31,;-15.9,18.41,;-15.51,19.89,;-17.4,18.02,)|
N[C@H](C(O)=O)C12CC(C1)(C2)c1nnn[nH]1 |r|
COc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
O=c1n(cnc2c1sc1ncnc(NC3CC3)c21)C1CCCCC1
Fc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
Clc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4cccc(Cl)c4)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4cccc(F)c4)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4cccnc4)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4ccc(cc4)C#N)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4ccc(C)cc4)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4ccc(F)cc4)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4ccncc4)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(Nc4ccccc4)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CCC4)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C4CC4)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC4CC4)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCCCCO)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCCCO)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCCO)c23)c1=O
COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC(F)(F)F)c23)c1=O
CCCNc1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
CCN(C)c1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
CCNc1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
CNc1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
COc1ccc(cc1F)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
COc1ccc(c(C)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
COc1ccc(cn1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
CN(C)c1ncnc2sc3c(ncn(-c4cccnc4)c3=O)c12
CN(C)c1ncnc2sc3c(ncn(C4CCCCC4)c3=O)c12
CSc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
CN(C)c1ncnc2sc3c(ncn(-c4ccc(cc4)C(F)(F)F)c3=O)c12
CN(C)c1ncnc2sc3c(ncn(-c4ccc(OC(F)(F)F)cc4)c3=O)c12
CN(C)c1ncnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
CN(C)c1ncnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
CN(C)c1ncnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
CN(C)c1ncnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
COc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1F |(9.45,-43.77,;10.47,-42.62,;9.99,-41.15,;8.48,-40.84,;7.99,-39.38,;9.02,-38.23,;8.54,-36.77,;9.43,-35.53,;10.97,-35.52,;8.53,-34.29,;7.07,-34.77,;5.74,-34,;4.41,-34.77,;4.41,-36.31,;3.08,-37.09,;5.74,-37.08,;7.08,-36.3,;5.74,-32.46,;7.08,-31.68,;4.41,-31.68,;5.73,-30.92,;10.52,-38.54,;11.55,-37.39,;11.01,-40,;12.52,-40.31,)|
C(C[C@@H](C(=O)O)N)CP(=O)(O)O
CCOC(=O)[C@]12C[C@H]1C(N=O)c1ccccc1O2
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]12C[C@H]1C(N=O)c1ccccc1O2
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@]12C[C@@H]1C(N=O)c1ccccc1O2
CCc1cc2cc(ccc2nc1C(=O)OC(C)C)C(=O)C1CCC(CC1)OC |(6.68,1.35,;5.33,2.1,;4,1.32,;2.64,2.09,;1.31,1.32,;,2.09,;-1.35,1.32,;-1.35,-.22,;,-.99,;1.31,-.22,;2.64,-.99,;4,-.22,;5.33,-.99,;6.67,-.22,;5.35,-2.53,;4.02,-3.27,;2.68,-2.53,;4.02,-4.85,;-2.7,2.1,;-2.67,3.65,;-4.03,1.35,;-5.34,2.1,;-6.69,1.35,;-6.69,-.21,;-5.34,-.96,;-4.03,-.21,;-8.02,-1,;-8.02,-2.53,)|
CCc1cc2cc(ccc2nc1N)C(=O)C1CCC(CC1)OC |(7.7,.65,;6.37,1.42,;5.03,.65,;3.7,1.4,;2.37,.63,;1.04,1.4,;-.3,.63,;-.3,-.91,;1.04,-1.68,;2.37,-.91,;3.7,-1.68,;5.03,-.91,;6.39,-1.68,;-1.63,1.42,;-1.63,2.96,;-2.96,.65,;-4.3,1.42,;-5.63,.65,;-5.63,-.9,;-4.3,-1.67,;-2.96,-.9,;-6.96,-1.67,;-8.3,-.9,)|
CCc1cc2cc(ccc2nc1C#N)C(=O)C1CCC(CC1)OC |(7.38,.75,;6.04,1.52,;4.7,.74,;3.38,1.51,;2.05,.74,;.71,1.51,;-.61,.74,;-.63,-.8,;.71,-1.56,;2.05,-.8,;3.38,-1.56,;4.72,-.8,;6.04,-1.56,;7.38,-2.34,;-1.95,1.51,;-1.94,3.05,;-3.29,.74,;-3.29,-.8,;-4.61,-1.56,;-5.94,-.8,;-5.94,.74,;-4.61,1.52,;-7.28,-1.56,;-8.6,-.8,)|
C[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3CCCCCc3cc2c1 |wU:4.7,1.0,(-7.6,-1.71,;-6.27,-.94,;-6.27,.6,;-4.96,1.37,;-3.61,.6,;-3.61,-.94,;-4.96,-1.71,;-2.28,1.37,;-2.29,2.91,;-.93,.62,;-.93,-.92,;.38,-1.69,;1.71,-.89,;3.06,-1.66,;4.39,-.87,;5.74,-1.62,;7.23,-1.22,;7.99,.13,;7.01,1.79,;5.47,1.79,;4.37,.69,;3.02,1.44,;1.71,.65,;.37,1.39,)|
CCc1cc2cc(ccc2nc1-c1ccsc1)C(=O)C1CCC(CC1)OC |(6.54,1.04,;5.21,1.79,;3.89,1.04,;2.56,1.78,;1.22,1.01,;-.11,1.78,;-1.46,1.01,;-1.46,-.54,;-.13,-1.31,;1.22,-.54,;2.56,-1.31,;3.89,-.54,;5.24,-1.31,;5.38,-2.84,;6.89,-3.16,;7.65,-1.82,;6.62,-.7,;-2.78,1.79,;-2.78,3.34,;-4.13,1.04,;-5.45,1.79,;-6.78,1.04,;-6.78,-.52,;-5.45,-1.3,;-4.13,-.52,;-8.13,-1.3,;-9.45,-.52,)|
CCc1cc2cc(ccc2nc1F)C(=O)C1CCC(CC1)OC |(7.72,.65,;6.37,1.42,;5.03,.65,;3.7,1.42,;2.37,.65,;1.04,1.42,;-.3,.65,;-.3,-.9,;1.03,-1.67,;2.37,-.9,;3.7,-1.67,;5.05,-.9,;6.38,-1.67,;-1.63,1.42,;-1.61,2.96,;-2.97,.65,;-4.3,1.42,;-5.63,.65,;-5.63,-.9,;-4.3,-1.67,;-2.97,-.9,;-6.97,-1.67,;-8.3,-.9,)|
Cn1c(CN2CCC(CC2)c2ccccc2F)nc2ccccc12
C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N[C@@H]5CCNC5)C(F)(F)F)C1
OCc1c(NC(=O)Cn2nc(c3CCCCc23)C(F)(F)F)sc2CCCCc12
NCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
CNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
CCNCc1cn(nc1C(F)(F)F)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N
CN(C)Cc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
CC(C)NCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
COCCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
CCN(CC)Cc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
NC(=O)c1c(NC(=O)Cn2cc(CNC3CC3)c(n2)C(F)(F)F)sc2CCCCc12
NC(=O)c1c(NC(=O)Cn2cc(CN3CCC3)c(n2)C(F)(F)F)sc2CCCCc12
CC(C)(C)c1c(cn(n1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)CNC
CN(C)Cc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C
CC(C)(C)c1nn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)cc1CNC1CC1
CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C
CC(C)NCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C
CNCc1cn(CCC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
CCNCc1cn(CCC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
CCN(CC)Cc1cn(CCC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
NC(=O)c1c(NC(=O)Cn2nc(c3CNCCc23)C(F)(F)F)sc2CCCCc12
CNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(=O)NC)nc1C(F)(F)F
CC(OC(=O)c1cn2CCN(Cc3ccccc3)C(=O)c2c1C)C(C)(C)C
CC(OC(=O)c1cn2CCN(CCCN3C(=O)c4ccccc4C3=O)C(=O)c2c1C)C(C)(C)C
CC(OC(=O)c1cn2CCN(CCNC(=O)OC(C)(C)C)C(=O)c2c1C)C(C)(C)C
CC(OC(=O)c1cn2CCN(CC(F)F)C(=O)c2c1C)C(C)(C)C
CC(OC(=O)c1cn2CCN(CCCNC(C)=O)C(=O)c2c1C)C(C)(C)C
CC(OC(=O)c1cn2CCN(CCCNC(=O)c3ccncc3)C(=O)c2c1C)C(C)(C)C
CC(OC(=O)c1cn2CCN(CCCN(C)C(=O)c3ccncc3)C(=O)c2c1C)C(C)(C)C
CC(OC(=O)c1cn2CCN(N3CCOCC3)C(=O)c2c1C)C(C)(C)C
CCCN1CCn2cc(C(=O)OC(C)C(C)(C)C)c(C)c2C1=O
CCNC(=O)NCCCN1CCn2cc(C(=O)OC(C)C(C)(C)C)c(C)c2C1=O
CC(OC(=O)c1cn2CCN(CC=C)C(=O)c2c1C)C(C)(C)C
CC(OC(=O)c1cn2CCN(CC3CC3)C(=O)c2c1C)C(C)(C)C
CC(OC(=O)c1cn2CCN(CCF)C(=O)c2c1C)C(C)(C)C
COCCN1CCn2cc(C(=O)OC(C)C(C)(C)C)c(C)c2C1=O
COCCNC(=O)c1[nH]cc(C(=O)O[C@@H](C)C(C)(C)C)c1C
CCCOC(=O)c1[nH]cc(C(=O)O[C@@H](C)C(C)(C)C)c1C
CCOC(=O)c1[nH]cc(C(=O)OC2CC3CCC2C3)c1C |TLB:11:12:16.15:18|
COCCNC(=O)c1[nH]c(C)c(C(=O)OC2CC3CCC2C3)c1C |TLB:14:15:19.18:21|
CC(=O)NCCCCNC(=O)c1[nH]c(C)c(C(=O)OC2CC3CCC2C3)c1C |TLB:18:19:23.22:25|
CCOC(=O)c1[nH]c(C)c(C(=O)OC2CC3CCC2C3)c1C |TLB:12:13:17.16:19|
CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)OC2CC3CCC2C3)c1C |TLB:17:18:22.21:24|
COCCNC(=O)c1[nH]cc(C(=O)OC2CC3CCC2C3)c1C |TLB:13:14:18.17:20|
Clc1cccc(c1)C1=NC[C@]2(CCC[C@@H](C2)NC(=O)c2ccccn2)O1 |r,t:8|
Cc1cccc(n1)C(=O)N[C@H]1CCC[C@]2(CN=C(O2)c2cccc(Cl)c2)C1 |r,c:17|
Fc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(Cl)c1 |r|
Clc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1 |r|
O=C(N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N |r|
CC(C)c1cccc(n1)-c1c(NC(=O)C2CC2)snc1-c1ccc2nn(C)cc2c1
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)N(C)C)-c1ccc2n[nH]cc2c1 |r|
CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2n[nH]cc2c1 |r|
CCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2n[nH]cc2c1 |r|
CC[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)N(C)C)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CCCC1)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CCC1)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CC1)-c1ccc2nn(C)cc2c1 |r|
CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
CCCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)N(C)C)-c1ccc2nn(C)cc2c1 |r|
CNc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
COc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
CCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C(F)F)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(CF)n1)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(C)n1)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1ccccn1)-c1ccc2nn(C)cc2c1 |r|
C[C@@H]1CN(CCN1c1ccccn1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ncccc1C#N |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@H]1CN(CCN1c1ccccn1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
C[C@@H]1CN(CCN1C(=O)C1CC2CCCC(C2)C1)c1ccccn1 |r|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(F)n1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1c1ccccc1C#N)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,15:17:20:24.23.22|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cnccn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1C(=O)[C@H]1CC[C@@H](CC1)C(C)(C)C)c1ccccn1 |r,wU:9.9,wD:1.0,12.16,(48.62,-41.8,;48.62,-43.34,;49.95,-44.12,;49.95,-45.66,;48.62,-46.42,;47.29,-45.66,;47.29,-44.11,;45.95,-43.35,;45.93,-41.81,;44.62,-44.13,;44.64,-45.67,;43.3,-46.44,;41.96,-45.68,;41.96,-44.14,;43.28,-43.37,;40.63,-46.46,;39.29,-45.69,;40.64,-48,;39.29,-47.22,;51.27,-46.43,;51.27,-47.97,;52.6,-48.75,;53.94,-47.98,;53.93,-46.43,;52.6,-45.66,)|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ncccn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccncn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1C#N |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1C#N |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1C(=O)C1CCCCCCC1)c1ccccn1 |r|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ncccc1F |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cnccc1C#N |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1C#N |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1c1ccncc1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
C[C@H]1CC[C@@H](CC1)C(=O)N1CCN([C@H](C)C1)c1ccccn1 |r,wU:4.7,13.14,wD:1.0,(22.11,-46.55,;23.45,-45.78,;24.79,-46.54,;26.12,-45.76,;26.1,-44.23,;24.76,-43.46,;23.44,-44.24,;27.43,-43.44,;27.42,-41.9,;28.77,-44.2,;28.77,-45.76,;30.1,-46.52,;31.43,-45.76,;31.43,-44.22,;32.76,-43.45,;30.1,-43.44,;32.76,-46.53,;32.75,-48.07,;34.08,-48.84,;35.42,-48.07,;35.42,-46.52,;34.09,-45.76,)|
C[C@@H]1CN(CCN1c1ccccn1)C(=O)C1CCCCC1 |r|
C[C@@H]1CN(CCN1c1ccccn1)C(=O)C(C)(C)C |r|
C[C@@H]1CN(CCN1C(=O)C(C)(C)C)c1ccccn1 |r|
C[C@@H]1CN(CCN1c1ccccn1)C(=O)C1CC1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1ccccn1 |r|
C[C@@H]1CN(CCN1c1ccncn1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
C[C@@H]1CN(CCN1c1cnccn1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
C[C@@H]1CN(CCN1c1ncccn1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1c1cccnc1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:13:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,13:15:18:22.21.20|
C[C@@H]1CN(CCN1c1ccccn1)C(=O)C1CC2CCCC(C2)C1 |r|
C[C@@H]1CN(CCN1c1ccccn1)C(=O)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:15.16,1.0,wD:18.23,(15.17,-53.24,;13.83,-54.01,;12.51,-53.23,;11.18,-53.99,;11.18,-55.55,;12.51,-56.31,;13.83,-55.55,;15.16,-56.32,;15.16,-57.86,;16.49,-58.63,;17.83,-57.86,;17.82,-56.31,;16.49,-55.55,;9.84,-53.23,;9.82,-51.69,;8.51,-54.01,;8.53,-55.55,;7.19,-56.33,;5.85,-55.57,;5.85,-54.03,;7.17,-53.25,;4.52,-56.34,;3.18,-55.58,;4.53,-57.88,;3.18,-57.1,)|
C[C@H]1CC[C@@H](CC1)C(=O)N1CCN(C[C@H]1C)c1ccccn1 |r,wU:4.7,wD:14.16,1.0,(2.85,-47.1,;4.18,-46.33,;5.52,-47.09,;6.86,-46.31,;6.84,-44.77,;5.5,-44.01,;4.18,-44.79,;8.17,-43.99,;8.16,-42.45,;9.51,-44.74,;9.51,-46.3,;10.84,-47.06,;12.17,-46.3,;12.17,-44.76,;10.84,-43.98,;10.85,-42.44,;13.5,-47.07,;13.49,-48.61,;14.82,-49.38,;16.16,-48.61,;16.16,-47.07,;14.83,-46.3,)|
C[C@@H]1CN(CCN1c1ccccn1)C(=O)C1CCCCCCC1 |r|
C[C@@H]1CN(CCN1c1ccccn1)C(=O)C1CCCCCC1 |r|
C[C@@H]1CN(CCN1C(=O)C1CCCCCC1)c1ccccn1 |r|
C[C@@H]1CN(CCN1C(=O)C1CCCCC1)c1ccccn1 |r|
C[C@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
C[C@@H]1CN(CCN1c1ccccn1)C(=O)C12C3C4C5C3C1C5C24 |r,wU:1.0,(31.17,-6.4,;29.84,-7.17,;28.49,-6.39,;27.15,-7.17,;27.15,-8.71,;28.49,-9.49,;29.84,-8.71,;31.18,-9.49,;31.18,-11.04,;32.52,-11.82,;33.86,-11.04,;33.86,-9.49,;32.52,-8.71,;25.81,-6.39,;25.81,-4.84,;24.48,-7.18,;23.54,-7.93,;22,-7.93,;22,-9.47,;23.54,-9.47,;24.48,-8.72,;22.94,-8.72,;22.94,-7.18,)|
C[C@@H]1CN(CCN1C(=O)C12C3C4C5C3C1C5C24)c1ccccn1 |r,wD:1.0,(12.27,-3.85,;12.27,-5.4,;13.61,-6.18,;13.61,-7.73,;12.27,-8.5,;10.92,-7.73,;10.92,-6.18,;9.58,-5.41,;9.58,-3.85,;8.26,-6.19,;7.32,-6.95,;5.78,-6.95,;5.78,-8.49,;7.32,-8.49,;8.26,-7.73,;6.72,-7.73,;6.72,-6.19,;14.96,-8.5,;14.96,-10.05,;16.3,-10.83,;17.64,-10.05,;17.64,-8.5,;16.3,-7.73,)|
Cc1cccc(Nc2ncc3C(=O)CCCc3n2)c1
Fc1ccc(Nc2nc3CCCCc3s2)cc1
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CC2CCCC(C2)C1 |r,TLB:1:16:19.20.21:23|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CC2CCC(C2)C1 |r|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CCC2(CCCCC2)CC1 |r|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CCC2(CCCC2)CC1 |r|
O=C(N1CCC2(CCCC2)C1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CCCCCCC1 |r|
CC1(C)[C@H]2CN(C[C@@H]12)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1cccnc1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccncc1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1cnccc1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ncccc1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccc1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Fc1cccnc1N1C[C@@H]2CN(C[C@@H]2C1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Fc1ccc(nc1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Fc1cccc(n1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1cnccn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccncn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ncccn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)C12C3C4C5C3C1C5C24 |r,wD:4.3,8.9,(21.01,-11.68,;20.98,-13.22,;22.31,-14,;22.45,-15.53,;23.95,-15.85,;24.99,-16.99,;26.38,-16.37,;26.22,-14.85,;24.72,-14.53,;23.68,-13.38,;27.66,-17.21,;27.57,-18.75,;28.85,-19.58,;30.22,-18.89,;30.32,-17.35,;29.03,-16.51,;19.65,-13.97,;18.97,-14.23,;17.29,-13.26,;16.44,-15,;18.13,-15.97,;18.8,-15.69,;17.11,-14.73,;17.95,-13,)|
O=C(CC12CC3CC(CC(C3)C1)C2)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
O=C(CC1CCCCC1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
CC(C)(C)CC(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
CC(C)(C)[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r,wU:7.10,wD:14.14,18.20,4.3,(15.39,-10.65,;16.71,-11.44,;16.69,-12.98,;15.37,-12.2,;18.05,-10.69,;19.38,-11.48,;20.73,-10.73,;20.74,-9.19,;19.42,-8.4,;18.08,-9.15,;22.08,-8.44,;22.11,-6.89,;23.41,-9.22,;23.56,-10.76,;25.06,-11.08,;26.1,-12.23,;27.5,-11.6,;27.34,-10.08,;25.83,-9.75,;24.79,-8.61,;28.79,-12.45,;28.69,-13.99,;29.98,-14.83,;31.36,-14.14,;31.45,-12.59,;30.16,-11.75,)|
CC1(CCCCC1)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
C[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r,wU:4.7,wD:11.11,15.17,1.0,(7.38,-10.51,;8.72,-9.76,;10.05,-10.55,;11.39,-9.8,;11.41,-8.26,;10.08,-7.47,;8.75,-8.22,;12.75,-7.51,;12.77,-5.96,;14.08,-8.29,;14.22,-9.83,;15.73,-10.15,;16.77,-11.3,;18.16,-10.67,;18,-9.15,;16.49,-8.82,;15.46,-7.67,;19.45,-11.52,;19.35,-13.06,;20.64,-13.9,;22.02,-13.2,;22.11,-11.66,;20.82,-10.81,)|
O=C(C1CCCCCCC1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
O=C(C1CCCCCC1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
O=C(C1CCCCC1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
CC(C)(C)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
CN1CCc2nc(COc3ccccc3)sc2C1=O
O=C(Oc1ccc2C(=O)CCOc2c1)c1ccccc1
O=C1CCOc2cc(OCc3ccccc3)ccc12
O=C1CCOc2cc(COc3ccccc3)ccc12
O=C1CCCc2nc(sc12)C#Cc1ccccc1
Cc1ccncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)cnc12
Cc1cc(CNC(=O)c2nn(C)c3nc(OCc4ccccn4)ccc23)on1
Cn1nc(C(=O)N2CCOCC2)c2ccc(OCc3ccccn3)nc12
C[C@@H]1CCCN1C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12 |r|
CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12
CCN(CC)C(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
CCNC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
CCC(C)NC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
O=C(Nc1cncs1)C1c2ccccc2Oc2ccccc12
O=C(Nc1nccs1)C1c2ccccc2Oc2ccccc12
O=C(Nc1nc(cs1)C#N)C1c2ccccc2Oc2ccccc12
O=C(Nc1ccccn1)C1c2ccccc2Oc2ccccc12
O=C(Nc1nc2ccccc2s1)C1c2ccccc2Oc2ccccc12
CC(C)c1csc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc23)sc1C
Cc1nsc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
C[C@H]1CN(Cc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)C[C@@H](C)O1 |r|
Cn1ccc(COc2cnc(cc2-c2ccc(F)cc2)C(N)=O)n1
NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(c3)C(F)(F)F)cc2n1
COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1
Fc1cc(NC(=O)Nc2ccc(Cl)cn2)cc(c1)C#N
[#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])c1
Clc1cccc(c1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-c1cc(F)cc(F)c1
CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
[#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(c1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]C([#6])([#6])[#6]
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]C([#6])([#6])[#6]
[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1ccc(cc1)S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1ccccc1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)[#6]-c1ccccc1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(Cl)c1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(F)c1
[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#8]-c1ccccc1-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccccc1
[#6]-[#8]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
CCN(C(C)C)C(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
[#6]-[#6]-[#7](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#6](-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1)-c1ccccc1
[#6]-[#6](-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1)-c1ccccc1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(c1)C#N
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-c1ccccc1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
CCOC(=O)N1CC\C(C1)=C\C#Cc1cccc(C)n1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]\[#6](-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-c1ccccc1
CC(C)N(C)C(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
[#6]-[#7](-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1)C([#6])([#6])[#6]
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]C([#6])([#6])[#6]
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(F)c1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-[#6]-c1ccccc1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1ccc(cc1)C#N
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1cccc(Br)c1
[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]C2([#6]-1)[#6]\[#6](-[#6]2)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#6]S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1
[2H]C([2H])([2H])Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1F
Cc1nc(cs1)C(=O)Nc1cc(F)c(cc1C)N1C(=O)C2=C(CCCC2)C1=O |t:22|
Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1ccc(Cl)o1 |t:7|
Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1ccco1 |t:7|
[H][C@]12C[C@]([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1 |r,c:5|
Cc1ccoc1C(=O)Nc1c(F)cc(N2C(=O)CC3(CCCC3)CC2=O)c(F)c1F
Cc1ccoc1C(=O)Nc1c(F)cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)c1F |t:18|
[H][C@@]12CC=CC[C@]1([H])C(=O)N(C2=O)c1cc(F)c(NC(=O)c2occc2C)c(F)c1F |r,c:3|
Cc1ccoc1C(=O)Nc1c(F)cc(N2C(=O)c3ccc(Cl)cc3C2=O)c(F)c1F
Cc1ccoc1C(=O)Nc1c(F)cc(N2C(=O)c3cccc(F)c3C2=O)c(F)c1F
Cc1ccoc1C(=O)Nc1c(F)cc(N2C(=O)c3ccc(F)cc3C2=O)c(F)c1F
Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3ccc(Cl)cc3C2=O)c(F)c1F
Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3cccc(Cl)c3C2=O)c(F)c1F
Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3cccc(F)c3C2=O)c(F)c1F
Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)Cc2ccccc2C1=O
Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2ccc(Cl)cc2C1=O
Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2ccc(C)cc2C1=O
Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2cccc(Cl)c2C1=O
Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2cccc(F)c2C1=O
Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)C2=C(CCCC2)C1=O |t:22|
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(c1)C#N
Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3ccccc3C2=O)c(F)c1
Cc1ccoc1C(=O)Nc1cc(F)c(cc1F)N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3ccccc3C2=O)c(F)c1F
Cc1ccoc1C(=O)Nc1c(F)cc(N2C(=O)c3ccccc3C2=O)c(F)c1F
Cc1ccoc1C(=O)Nc1c(F)cc(cc1F)N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1cc(C)c(cc1C)N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)Nc1cc(C)c(cc1F)N1C(=O)c2ccccc2C1=O
CC1(C)C2C1C(=O)N(C2=O)c1ccc(NC(=O)c2ccccn2)cc1
N[C@@]1([C@H]2[C@@H](C[C@@H]1F)[C@@H]2C(O)=O)C(O)=O
c1cc(c(cc1SC[C@@H]2[C@H]([C@H]3[C@@H]([C@H]3[C@@]2(C(=O)O)N)C(=O)O)O)F)F
Clc1cc(Br)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1 |r|
Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Fc1ccc(C2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(Cl)c1
Fc1cc(Cl)ccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
Fc1ccccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
Fc1ccc(N2CCN(Cc3cc(cn4c(CC5CC5)nnc34)C(F)(F)F)CC2)c(F)c1
Fc1ccc(N2CCN(CC2)C(=O)c2cnc3n(CC4CC4)ncc3c2C(F)(F)F)c(F)c1
[H][C@]12COc3cccc(F)c3N1CCN(C2)c1c(nnc2c(OC)cc(F)cc12)C#N |r|
FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12
COc1ccc(c(F)c1)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O