SMILES UniProt pKd 
CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Q2M2I8 7
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O Q2M2I8 5.85387196432176
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O Q2M2I8 7.58502665202918
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 Q2M2I8 6.88605664769316
[nH]1c2c(c(c1)C(=O)NC)cc(cc2)Nc3nc(ccn3)-c4ncccc4 P00519 5.22914798835786
NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OCc1ccccc1 P36896 5
ClC1=CC=C(F)C(C2=NC(N=CC=N3)=C3C(NC4=CC=NC=C4)=N2)=C1 P36896 7.76955107862173
COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 P25098 5
COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 P31751 5
O=S(C2=CC=CC1=CN=CC=C12)(NCCNC/C=C/C3=CC=C(Br)C=C3)=O P31751 5
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O Q8NFD2 5
ClC1=CC(NC2=NC=CC(NCCCN3CCOCC3)=N2)=CC=C1 Q9UQB9 5
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC Q9NSY1 5
CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Q9NSY1 6.85387196432176
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O Q9NSY1 5.50863830616573
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O Q9NSY1 6.03151705144607
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 Q9NSY1 6.35654732351381
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(CC(C)C)(=O)=O)=C4)=C3 Q9NSY1 6.08618614761628
NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OCc1ccccc1 P36894 5
Fc1c(c(ccc1NS(=O)(=O)CCC)F)-n2nnc(c2)-c3cncc(c3)OC P15056 7.69897000433602
S(=O)(=O)(N1CCC(CC1)Oc3c(cc2ncnc(c2c3)N[C@H](C)c4ccccc4)OC)C Q8IWQ3 5
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(O)c2)cc1 Q8IWQ3 5
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1 O43683 6.74472749489669
CN1CCC(CNC(C=C2)=NN3C2=NC=C3C4=CC=CC(OC(F)(F)F)=C4)CC1 Q14012 5
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC Q16566 5
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 Q96RR4 7.17392519729917
ClC1=CC=C(F)C(C2=NC(N=CC=N3)=C3C(NC4=CC=NC=C4)=N2)=C1 Q5VT25 6.72124639904717
ClC1=CC=C(F)C(C2=NC(N=CC=N3)=C3C(NC4=CC=NC=C4)=N2)=C1 Q9Y5S2 7.03151705144607
ClC1=CC=C(F)C(C2=NC(N=CC=N3)=C3C(NC4=CC=NC=C4)=N2)=C1 Q6DT37 7.58502665202918
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q14004 7.13076828026902
O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1 Q96Q40 5
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1 Q9BWU1 6.74472749489669
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O P24941 5
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1 P50613 6.65757731917779
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 P50613 6.76955107862173
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1 P49336 6.07058107428571
CC(C)c1ccc2\C(=N/Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 Q92772 6.46852108295774
O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1 Q92772 6.35654732351381
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O Q92772 6.05551732784983
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 Q92772 5.79588001734407
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(CC(C)C)(=O)=O)=C4)=C3 Q92772 6.67778070526608
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 O15111 6.95860731484177
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1 P49759 6.42021640338319
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1 P49760 6.65757731917779
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 P49760 8.11350927482752
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 P49760 6.29242982390206
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1 Q9HAZ1 6
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O Q9HAZ1 5
C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C P07333 5
CN1CCC(CC1)n1cnc(c1-c1ccnc(NCCO)n1)-c1ccc(F)cc1 P48729 7.95860731484177
CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1 P48729 8.39794000867204
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 P48729 7.26760624017703
Nc1nccc(n1)-c1c(nn2cc(ccc12)C(F)(F)F)-c1ccc(F)cc1 P48729 6.76955107862173
S(=O)(=O)(N1CCC(CC1)Oc3c(cc2ncnc(c2c3)N[C@H](C)c4ccccc4)OC)C Q8N752 5
CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1 Q8N752 6.69897000433602
CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1 P48730 8.72124639904717
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O P48730 5
Cc1ccc2c(c(nn2n1)-c1ccc(cc1)C(F)(F)F)-c1ccnc(Nc2ccc3OCCOc3c2)n1 P48730 5
CN1CCC(CC1)n1cnc(c1-c1ccnc(NCCO)n1)-c1ccc(F)cc1 P49674 7.69897000433602
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1 P49674 6.54515513999149
CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1 P49674 8.26760624017703
Nc1nccc(n1)-c1c(nn2cc(ccc12)C(F)(F)F)-c1ccc(F)cc1 P49674 6.49485002168009
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C Q9HCP0 5
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 P53355 6.85387196432176
CC(C)c1ccc2\C(=N/Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 Q9UIK4 5
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 Q9UIK4 5
CC(C)c1ccc2\C(=N/Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 O43293 5
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 O43293 6.29242982390206
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 O43293 5
FC(F)(F)c1c(ccc(c1)NC(=O)c2cc(c(cc2)C)-c3noc(n3)-c4cnccc4)Cl Q08345 6.01322826573375
COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 Q08345 8.34678748622466
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1 Q08345 7.79588001734407
CNC(=O)c1cncc(\C=C\c2ccccc2Cl)c1 Q08345 6.30980391997149
O=C(C(N1C)=CC2=C1C(OC3=CC(C(N4CCN(C)CC4)=O)=NC=C3)=CC=C2)NC5=CC(C(C)(C)C)=CC(NS(=O)(C)=O)=C5OC Q08345 8.67778070526608
Cc1ccc2c(c(nn2n1)-c1ccc(cc1)C(F)(F)F)-c1ccnc(Nc2ccc3OCCOc3c2)n1 Q08345 7.72124639904717
Nc1nccc(n1)-c1c(nn2cc(ccc12)C(F)(F)F)-c1ccc(F)cc1 Q08345 7.17392519729917
FC(F)(F)c1c(ccc(c1)NC(=O)c2cc(c(cc2)C)-c3noc(n3)-c4cnccc4)Cl Q16832 5.61978875828839
O=C(C(N1C)=CC2=C1C(OC3=CC(C(N4CCN(C)CC4)=O)=NC=C3)=CC=C2)NC5=CC(C(C)(C)C)=CC(NS(=O)(C)=O)=C5OC Q16832 8.25963731050576
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC Q09013 5
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q13627 8.79588001734407
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N(C)C)c2cc1OC Q9Y463 5
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1 Q9Y463 6.82390874094432
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q92630 9.20760831050175
ClC1=CC(NC2=NC=CC(NCCCN3CCOCC3)=N2)=CC=C1 Q92630 5
S(=O)(=O)(N1CCC(CC1)Oc3c(cc2ncnc(c2c3)N[C@H](C)c4ccccc4)OC)C P00533 9.60205999132796
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C P00533 5
Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)-c3cccs3)cc2Cl)c1 P00533 6.58502665202918
COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 P00533 8.24412514432751
O=C(N(CC1=CC=CC=C1)CCCC)C2=CC=C(S(=O)(NC3=CC=CC=C3)=O)C=C2 P00533 5
Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)-c3cccs3)cc2Cl)c1 Q9BQI3 5
NS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Q9P2K8 5
Cc1cc(Cl)cc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 P29317 5
O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1 P29317 5
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 P29317 5
FC(F)(F)c1c(ccc(c1)NC(=O)c2cc(c(cc2)C)-c3noc(n3)-c4cnccc4)Cl P54764 5
FC(F)(F)c1c(ccc(c1)NC(=O)c2cc(c(cc2)C)-c3noc(n3)-c4cnccc4)Cl Q9UF33 5
COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 P29322 5.88605664769316
FC(F)(F)c1c(ccc(c1)NC(=O)c2cc(c(cc2)C)-c3noc(n3)-c4cnccc4)Cl P54753 5
Fc1c(c(ccc1NS(=O)(=O)CCC)F)-n2nnc(c2)-c3cncc(c3)OC O15197 6.60205999132796
Cc1cc(cc(C)c1\C=C\c1cncc(c1)-c1nn[nH]n1)-c1ccccn1 O15197 8.85387196432176
S(=O)(=O)(N1CCC(CC1)Oc3c(cc2ncnc(c2c3)N[C@H](C)c4ccccc4)OC)C P04626 7.06048074738138
Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)-c3cccs3)cc2Cl)c1 P04626 5.55284196865778
COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 P04626 7.72124639904717
COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 Q15303 6.60205999132796
ClC1=CC(NC2=NC=CC(NCCCN3CCOCC3)=N2)=CC=C1 O75460 5
Cc1cc(Cl)cc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 P21802 5
O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1 P21802 5
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 P21802 5
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC P22455 5
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O P22455 5
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C P17948 5
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C P36888 5
CC(C)c1ccc2\C(=N/Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 P36888 7.48148606012211
COc1c(cc(cc1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1)C(N)=O P36888 5
NC(=O)c1cc(cc(c1N)-c1ccncc1)-c1ccc(F)cc1 P36888 5.15490195998574
COc1ccc(cc1C(N)=O)-c1ccncc1 P36888 5.04575749056067
N(c1ncc(o1)-c1ccccc1)c1ccccc1 P36888 8.04095860767891
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N(C)C)c2cc1OC P36888 5.82390874094432
N#Cc1cccc(Nc2ncc(o2)-c2ccccc2)c1 P36888 7.95860731484177
Cc1cc(cc(C)c1\C=C\c1cncc(c1)-c1nn[nH]n1)-c1ccccn1 P36888 5
N(c1ncc(o1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1 P36888 6.19382002601611
COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 P42685 5
COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 P06241 5
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C O14976 5.16115090926274
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1 O14976 7.18045606445813
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 O14976 7.63827216398241
Nc1nccc(n1)-c1c(nn2cc(ccc12)C(F)(F)F)-c1ccc(F)cc1 O14976 7.35654732351381
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 P32298 5.79588001734407
O=C(NC=C1)C2=C1C(C(C(C)C)=NO3)=C3C4=C2C=C(C)C=C4 P32298 6.72124639904717
CN1CCC(CNC(C=C2)=NN3C2=NC=C3C4=CC=CC(OC(F)(F)F)=C4)CC1 Q8WTQ7 6.92081875395237
Cc1ccc2c(c(nn2n1)-c1ccc(cc1)C(F)(F)F)-c1ccnc(Nc2ccc3OCCOc3c2)n1 Q8WTQ7 5
Fc1ccc(cc1)-c1c(nc2SCCn12)-c1ccncc1 Q8TF76 6.45593195564972
COc1ccc(cc1C(N)=O)-c1ccncc1 Q8TF76 6.53760200210104
O=S(C2=CC=CC1=CN=CC=C12)(NCCNC/C=C/C3=CC=C(Br)C=C3)=O Q8TF76 7.46852108295774
CN1CCC(CNC(C=C2)=NN3C2=NC=C3C4=CC=CC(OC(F)(F)F)=C4)CC1 Q8TF76 8.11918640771921
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q8TF76 10.2291479883579
O=C(OC)C1=CC=C(C2=C(C(N)=C(C(N)=O)S3)C3=NC(N4CCC(N)CC4)=C2)C=C1 Q8TF76 6.72124639904717
CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N P49840 7.56863623584101
CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N P49841 7.82390874094432
Fc1c(c(ccc1NS(=O)(=O)CCC)F)-n2nnc(c2)-c3cncc(c3)OC P08631 5
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1 Q86Z02 6.36653154442041
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q86Z02 7.16749108729376
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q9H2X6 7.13076828026902
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1 Q9H422 6.30980391997149
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q9H422 7.30102999566398
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 Q9UPZ9 5
O=C(OC)C1=CC=C(C2=C(C(N)=C(C(N)=O)S3)C3=NC(N4CCC(N)CC4)=C2)C=C1 O14920 6.32790214206428
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 P06213 6.82390874094432
CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC(=CC=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N P51617 6.88605664769316
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q9NWZ3 7.30102999566398
CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC(=CC=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N Q9NWZ3 6.69897000433602
COc1ccc(cc1)-c1coc2ncnc(N)c12 P23458 5
NS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 P23458 5
FC(F)(F)c1c(ccc(c1)NC(=O)c2cc(c(cc2)C)-c3noc(n3)-c4cnccc4)Cl P10721 6.18708664335714
N(c1ncc(o1)-c1ccccc1)c1ccccc1 P10721 7.30102999566398
COc1ccc(cc1)-c1coc2ncnc(N)c12 P10721 7.52287874528034
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1 P10721 6.76955107862173
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(O)c2)cc1 P10721 7.05551732784983
N#Cc1cccc(Nc2ncc(o2)-c2ccccc2)c1 P10721 6.95860731484177
CNC(=O)c1cncc(\C=C\c2ccccc2Cl)c1 P10721 6.05060999335509
N(c1ncc(o1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1 P10721 5.53760200210104
Cc1ccc2c(c(nn2n1)-c1ccc(cc1)C(F)(F)F)-c1ccnc(Nc2ccc3OCCOc3c2)n1 P10721 6.18708664335714
CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccccc2Cl)c1 O95835 5
NC(=O)c1cc(cc(c1N)-c1ccncc1)-c1ccc(F)cc1 O95835 5.42021640338319
Cc1cc(Cl)cc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 O95835 5
N(c1ncc(o1)-c1ccccc1)c1ccccc1 O95835 5.58502665202918
Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CCC1 O95835 5
O=C(NCC1=CC=CC=C1)C2=CC=C(S(=O)(NCC3=CC=CC=C3)=O)C=C2 O95835 5
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q9NRM7 6.67778070526608
COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 P06239 6.49485002168009
O=C(N(CC1=CC=CC=C1)CCCC)C2=CC=C(S(=O)(NC3=CC=CC=C3)=O)C=C2 P06239 5
O=C(C1=CC=C(C=C1)S(=O)(NC2=CC=CC=C2)=O)N(CC)CC3=CC=CC=C3 P53667 7.10790539730952
O=C(N(CC1=CC=CC=C1)CCCC)C2=CC=C(S(=O)(NC3=CC=CC=C3)=O)C=C2 P53667 6.92081875395237
O=C(C1=CC=C(C=C1)S(=O)(NC2=CC=CC=C2)=O)N(CC)CC3=CC=CC=C3 P53671 7.35654732351381
O=C(N(CC1=CC=CC=C1)CCCC)C2=CC=C(S(=O)(NC3=CC=CC=C3)=O)C=C2 P53671 7.19382002601611
O=C(C1=CC=C(C=C1)S(=O)(NC2=CC=CC(Cl)=C2)=O)N(CCC)CC3=CC=CC=C3 P53671 6.85387196432176
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q5S007 6.69897000433602
Fc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 P29376 5
O=C(NCC1=CC=CC=C1)C2=CC=C(S(=O)(NCC3=CC=CC=C3)=O)C=C2 P29376 5
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N(C)C)c2cc1OC P07948 5
O=C(C1=CC=C(C=C1)S(=O)(NC2=CC=CC=C2)=O)N(CC)CC3=CC=CC=C3 P20794 5
Cc1cc(cc(C)c1\C=C\c1cncc(c1)-c1nn[nH]n1)-c1ccccn1 Q02750 6.2839966563652
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q02750 7.32790214206428
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 P36507 6.67778070526608
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 P46734 7.04575749056067
Fc1c(c(ccc1NS(=O)(=O)CCC)F)-n2nnc(c2)-c3cncc(c3)OC Q13163 8.88605664769316
CNC(=O)c1cncc(\C=C\c2ccccc2Cl)c1 Q13163 6.32790214206428
Cc1cc(cc(C)c1\C=C\c1cncc(c1)-c1nn[nH]n1)-c1ccccn1 Q13163 7.26760624017703
COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 Q13163 7.44369749923271
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q13163 7.17392519729917
FC(F)(F)c1c(ccc(c1)NC(=O)c2cc(c(cc2)C)-c3noc(n3)-c4cnccc4)Cl P52564 5
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC Q6ZN16 5
Fc1ccc(cc1)-c1c(nc2SCCn12)-c1ccncc1 Q56UN5 6.88605664769316
COc1ccc(cc1C(N)=O)-c1ccncc1 Q56UN5 6.31875876262441
CCn1c(nc2ccc(F)cc12)-c1nonc1N Q56UN5 6.63827216398241
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q56UN5 7.50863830616573
ClC1=CC=C(F)C(C2=NC(N=CC=N3)=C3C(NC4=CC=NC=C4)=N2)=C1 P53779 6.79588001734407
O=C(C(N1C)=CC2=C1C(OC3=CC(C(N4CCN(C)CC4)=O)=NC=C3)=CC=C2)NC5=CC(C(C)(C)C)=CC(NS(=O)(C)=O)=C5OC Q15759 6.95860731484177
Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1 Q16539 6.72124639904717
Cc1ccc(cc1-c1ccc2[nH]ncc2c1)C(=O)NC1CC1 Q16539 6.79588001734407
CN1CCC(CC1)n1cnc(c1-c1ccnc(NCCO)n1)-c1ccc(F)cc1 Q16539 7.22914798835786
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1 Q16539 7.10237290870956
Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1 Q16539 6.56863623584101
Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CCC1 Q16539 6.82390874094432
CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1 Q16539 8.06048074738138
O=S(C2=CC=CC1=CN=CC=C12)(NCCNC/C=C/C3=CC=C(Br)C=C3)=O Q16539 5
C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C Q16539 5
O=C(C(N1C)=CC2=C1C(OC3=CC(C(N4CCN(C)CC4)=O)=NC=C3)=CC=C2)NC5=CC(C(C)(C)C)=CC(NS(=O)(C)=O)=C5OC Q16539 8.25963731050576
Cc1ccc2c(c(nn2n1)-c1ccc(cc1)C(F)(F)F)-c1ccnc(Nc2ccc3OCCOc3c2)n1 Q16539 6.55284196865778
Nc1nccc(n1)-c1c(nn2cc(ccc12)C(F)(F)F)-c1ccc(F)cc1 Q16539 8.2518119729938
CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1 P45984 6.76955107862173
O=C(C(N1C)=CC2=C1C(OC3=CC(C(N4CCN(C)CC4)=O)=NC=C3)=CC=C2)NC5=CC(C(C)(C)C)=CC(NS(=O)(C)=O)=C5OC P45984 7.56863623584101
S(=O)(=O)(N1CCC(CC1)Oc3c(cc2ncnc(c2c3)N[C@H](C)c4ccccc4)OC)C Q9P0L2 5
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(O)c2)cc1 Q9P0L2 5
S(=O)(=O)(N1CCC(CC1)Oc3c(cc2ncnc(c2c3)N[C@H](C)c4ccccc4)OC)C Q96L34 5
ClC1=CC(NC2=NC=CC(NCCCN3CCOCC3)=N2)=CC=C1 P42679 5
COc1ccc(cc1C(N)=O)-c1ccncc1 Q14680 5
COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 Q14680 5
CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Q14680 5
CNC(=O)c1cncc(\C=C\c2ccccc2Cl)c1 Q14680 5
S(=O)(=O)(N1CCC(CC1)Oc3c(cc2ncnc(c2c3)N[C@H](C)c4ccccc4)OC)C Q12866 5
Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1 Q8N4C8 5
NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OCc1ccccc1 Q9HBH9 6.24412514432751
O=C(C1=CC=C(C=C1)S(=O)(NC2=CC=CC=C2)=O)N(CC)CC3=CC=CC=C3 Q04912 5
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 P42345 6.35654732351381
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC P42345 9.88605664769316
C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C P42345 9.49485002168009
CC(N1CCN(C2=NC=NC(CC)=C2C#CC3=CC=C(N)N=C3)CC1)=O P42345 8.33724216831843
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 Q15746 7.76955107862173
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O Q9H1R3 6.01772876696043
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 Q9H1R3 6.13667713987954
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(CC(C)C)(=O)=O)=C4)=C3 Q9H1R3 5.88605664769316
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O Q86YV6 5.33724216831843
C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C Q86YV6 5
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 Q8NEV4 5
FC(F)(F)c1c(ccc(c1)NC(=O)c2cc(c(cc2)C)-c3noc(n3)-c4cnccc4)Cl Q96PY6 5
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C P51955 5.39794000867204
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C P51956 5.92081875395237
FC(F)(F)c1c(ccc(c1)NC(=O)c2cc(c(cc2)C)-c3noc(n3)-c4cnccc4)Cl P51956 5
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C Q6P3R8 6.3767507096021
CCn1c(nc2ccncc12)-c1nonc1N Q6P3R8 5
O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1 Q8TDX7 5
O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1 Q8TD19 5
CN1CCC(CC1)n1cnc(c1-c1ccnc(NCCO)n1)-c1ccc(F)cc1 Q9UBE8 7.49485002168009
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1 Q9UBE8 6.79588001734407
CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1 Q9UBE8 7.04575749056067
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q16620 6.82390874094432
O=S(C2=CC=CC1=CN=CC=C12)(NCCNC/C=C/C3=CC=C(Br)C=C3)=O Q9H093 6.07572071393812
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 O95747 6.95860731484177
Fc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 O75914 5
O=C(NCC1=CC=CC=C1)C2=CC=C(S(=O)(NCC3=CC=CC=C3)=O)C=C2 O75914 5
s1c(nc3c1-c2n(nc(c2CC3)-c4cnccc4)-c5ccc(cc5)C6(CC6)N(C)C)NC(=O)OC Q9NQU5 5
CC(C)c1ccc2\C(=N/Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 P16234 7.09151498112135
N(c1ncc(o1)-c1ccccc1)c1ccccc1 P16234 6.92081875395237
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(O)c2)cc1 P16234 7.21467016498923
N#Cc1cccc(Nc2ncc(o2)-c2ccccc2)c1 P16234 6.85387196432176
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 P09619 6.25963731050576
FC(F)(F)c1c(ccc(c1)NC(=O)c2cc(c(cc2)C)-c3noc(n3)-c4cnccc4)Cl P09619 5.95860731484177
N(c1ncc(o1)-c1ccccc1)c1ccccc1 P09619 8.03621217265444
COc1ccc(cc1)-c1coc2ncnc(N)c12 P09619 7.34678748622466
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(O)c2)cc1 P09619 6.88605664769316
N#Cc1cccc(Nc2ncc(o2)-c2ccccc2)c1 P09619 8.27572413039921
N(c1ncc(o1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1 P09619 6.95860731484177
CC(C)c1ccc2\C(=N/Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 P15735 5
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 P15735 5
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 Q9UBF8 6.92081875395237
s1c(nc3c1-c2n(nc(c2CC3)-c4cnccc4)-c5ccc(cc5)C6(CC6)N(C)C)NC(=O)OC Q9UBF8 6.85387196432176
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC Q9UBF8 6.63827216398241
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O Q9UBF8 5.30980391997149
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C O00750 7.11918640771921
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 O00750 7.16115090926274
s1c(nc3c1-c2n(nc(c2CC3)-c4cnccc4)-c5ccc(cc5)C6(CC6)N(C)C)NC(=O)OC O00750 7.92081875395237
NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OCc1ccccc1 O00750 5
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C O75747 7.67778070526608
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 O75747 8.08618614761628
s1c(nc3c1-c2n(nc(c2CC3)-c4cnccc4)-c5ccc(cc5)C6(CC6)N(C)C)NC(=O)OC O75747 9.10237290870956
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC O75747 7.46852108295774
CC(N1CCN(C2=NC=NC(CC)=C2C#CC3=CC=C(N)N=C3)CC1)=O O75747 6.72124639904717
O=C(N(C)C)/C(C#N)=C/C(O1)=CC=C1C2=NC3=CN=C(NC=C4)C4=C3N2C5CCCCC5 O75747 7.07572071393812
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 Q8NEB9 7.30102999566398
CC(N1CCN(C2=NC=NC(CC)=C2C#CC3=CC=C(N)N=C3)CC1)=O Q8NEB9 7.04575749056067
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C P42336 7.19382002601611
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 P42336 7.38721614328026
s1c(nc3c1-c2n(nc(c2CC3)-c4cnccc4)-c5ccc(cc5)C6(CC6)N(C)C)NC(=O)OC P42336 8.92081875395237
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC P42336 7.88605664769316
NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OCc1ccccc1 P42336 5
C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C P42336 7.63827216398241
CC(N1CCN(C2=NC=NC(CC)=C2C#CC3=CC=C(N)N=C3)CC1)=O P42336 7.72124639904717
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C P42338 6.95860731484177
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 P42338 6.92081875395237
s1c(nc3c1-c2n(nc(c2CC3)-c4cnccc4)-c5ccc(cc5)C6(CC6)N(C)C)NC(=O)OC P42338 8.0087739243075
CC(N1CCN(C2=NC=NC(CC)=C2C#CC3=CC=C(N)N=C3)CC1)=O P42338 6.53760200210104
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C O00329 7.49485002168009
s1c(nc3c1-c2n(nc(c2CC3)-c4cnccc4)-c5ccc(cc5)C6(CC6)N(C)C)NC(=O)OC O00329 8.31875876262441
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1 O00329 5
CNC(=O)c1cncc(\C=C\c2ccccc2Cl)c1 O00329 5
CC(N1CCN(C2=NC=NC(CC)=C2C#CC3=CC=C(N)N=C3)CC1)=O O00329 7.61978875828839
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C P48736 9.31875876262441
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 P48736 8.55284196865778
s1c(nc3c1-c2n(nc(c2CC3)-c4cnccc4)-c5ccc(cc5)C6(CC6)N(C)C)NC(=O)OC P48736 9.34678748622466
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC P48736 9.10790539730952
NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OCc1ccccc1 P48736 5
CC(N1CCN(C2=NC=NC(CC)=C2C#CC3=CC=C(N)N=C3)CC1)=O P48736 7.22184874961636
s1c(nc3c1-c2n(nc(c2CC3)-c4cnccc4)-c5ccc(cc5)C6(CC6)N(C)C)NC(=O)OC Q9Y2I7 6.39794000867204
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC Q9Y2I7 6
s1c(nc3c1-c2n(nc(c2CC3)-c4cnccc4)-c5ccc(cc5)C6(CC6)N(C)C)NC(=O)OC P11309 5
CN1CCC(CNC(C=C2)=NN3C2=NC=C3C4=CC=CC(OC(F)(F)F)=C4)CC1 Q9P1W9 6.17392519729917
CN1CCC(CNC(C=C2)=NN3C2=NC=C3C4=CC=CC(OC(F)(F)F)=C4)CC1 Q86V86 6.56863623584101
O=C(NC=C1)C2=C1C(C(C(C)C)=NO3)=C3C4=C2C=C(C)C=C4 P78356 6.95860731484177
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 Q8TBX8 8.30102999566398
s1c(nc3c1-c2n(nc(c2CC3)-c4cnccc4)-c5ccc(cc5)C6(CC6)N(C)C)NC(=O)OC Q8TBX8 7.39794000867204
CN1CCC(CC1)n1cnc(c1-c1ccnc(NCCO)n1)-c1ccc(F)cc1 Q8TBX8 7
CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1 Q8TBX8 6.63827216398241
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 Q8TBX8 6.74472749489669
CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Q99755 6.46852108295774
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 O60331 6
NS(=O)(=O)c1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 O60331 6.76955107862173
CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 O60331 6.85387196432176
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(O)c2)cc1 O60331 5.85387196432176
N#Cc1cccc(Nc2ncc(o2)-c2ccccc2)c1 O60331 5
O=C(OC)C1=CC=C(C2=C(C(N)=C(C(N)=O)S3)C3=NC(N4CCC(N)CC4)=C2)C=C1 O60331 5
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O O60331 6.58502665202918
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 O60331 7.02227639471115
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(CC(C)C)(=O)=O)=C4)=C3 O60331 5.88605664769316
O=S(C2=CC=CC1=CN=CC=C12)(NCCNC/C=C/C3=CC=C(Br)C=C3)=O Q16512 6.67778070526608
Fc1ccc(cc1)-c1c(nc2SCCn12)-c1ccncc1 P53350 7.46852108295774
NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2ccccc12 P53350 8.20065945054642
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(C)=O)c2cc1OC P53350 6.65757731917779
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 P53350 10.4685210829577
NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2ccccc12 Q9NYY3 7.82390874094432
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(C)=O)c2cc1OC Q9NYY3 6.61978875828839
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 Q9NYY3 8.82390874094432
NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2ccccc12 Q9H4B4 7.38721614328026
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 Q9H4B4 9.3767507096021
Fc1c(c(ccc1NS(=O)(=O)CCC)F)-n2nnc(c2)-c3cncc(c3)OC Q13131 5
O=S(C2=CC=CC1=CN=CC=C12)(NCCNC/C=C/C3=CC=C(Br)C=C3)=O P22694 7.16749108729376
O=S(C2=CC=CC1=CN=CC=C12)(NCCNC/C=C/C3=CC=C(Br)C=C3)=O Q05655 6.48148606012211
O=S(C2=CC=CC1=CN=CC=C12)(NCCNC/C=C/C3=CC=C(Br)C=C3)=O P24723 6.56863623584101
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O P24723 5
O=S(C2=CC=CC1=CN=CC=C12)(NCCNC/C=C/C3=CC=C(Br)C=C3)=O Q13976 7.50863830616573
O=S(C2=CC=CC1=CN=CC=C12)(NCCNC/C=C/C3=CC=C(Br)C=C3)=O P51817 8.08092190762393
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O Q13523 5
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 Q05397 6.85387196432176
S(=O)(=O)(N1CCC(CC1)Oc3c(cc2ncnc(c2c3)N[C@H](C)c4ccccc4)OC)C Q14289 5
Fc1c(c(ccc1NS(=O)(=O)CCC)F)-n2nnc(c2)-c3cncc(c3)OC Q13882 6.95860731484177
COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 Q13882 5
Fc1c(c(ccc1NS(=O)(=O)CCC)F)-n2nnc(c2)-c3cncc(c3)OC P04049 7.74472749489669
C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C P04049 5
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C Q9BRS2 5
CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Q9BRS2 6.92081875395237
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O Q9BRS2 5.48148606012211
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O Q9BRS2 7.14266750356873
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 Q9BRS2 6.79588001734407
O=C(NC=C1)C2=C1C(C(C(C)C)=NO3)=C3C4=C2C=C(C)C=C4 Q9BRS2 7.46852108295774
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC Q9BVS4 5
NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2ccccc12 Q9BVS4 6.58502665202918
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1 Q9BVS4 7.46218090492673
CC(N1CCN(C2=NC=NC(CC)=C2C#CC3=CC=C(N)N=C3)CC1)=O Q9BVS4 6.85387196432176
CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 O14730 6.85387196432176
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O O14730 5.49485002168009
ClC1=CC(NC2=NC=CC(NCCCN3CCOCC3)=N2)=CC=C1 O14730 5.92081875395237
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O O14730 6.53760200210104
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 O14730 6.95860731484177
O=C(NC=C1)C2=C1C(C(C(C)C)=NO3)=C3C4=C2C=C(C)C=C4 O14730 7.38721614328026
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC O43353 5
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O O43353 5
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 P57078 5.50863830616573
O=C(NCC1CC1)c1ccc(cc1)-c1cccc(c1)C(=O)NC1CC1 Q13464 5.95860731484177
CN(C)CCCn1c(nc2cnccc12)-c1nonc1N Q13464 7.14266750356873
O=S(C2=CC=CC1=CN=CC=C12)(NCCNC/C=C/C3=CC=C(Br)C=C3)=O Q13464 7.26760624017703
O=C(NCC1CC1)c1ccc(cc1)-c1cccc(c1)C(=O)NC1CC1 O75116 5.79588001734407
CN(C)CCCn1c(nc2cnccc12)-c1nonc1N O75116 7.16115090926274
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C Q15418 5
C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C Q15418 5
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O O75582 5
s1c(nc3c1-c2n(nc(c2CC3)-c4cnccc4)-c5ccc(cc5)C6(CC6)N(C)C)NC(=O)OC Q9UK32 6.76955107862173
NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2ccccc12 Q9UK32 6.44369749923271
CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1 Q9UK32 6.2839966563652
Nc1nccc(n1)-c1c(nn2cc(ccc12)C(F)(F)F)-c1ccc(F)cc1 Q9UK32 6.95860731484177
ClC1=CC=C(F)C(C2=NC(N=CC=N3)=C3C(NC4=CC=NC=C4)=N2)=C1 Q9UK32 6.55284196865778
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N(C)C)c2cc1OC P0C264 5
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O Q96BR1 5
O=S(C2=CC=CC1=CN=CC=C12)(NCCNC/C=C/C3=CC=C(Br)C=C3)=O Q96BR1 6.22914798835786
O=C(N(CC1=CC=CC=C1)CCCC)C2=CC=C(S(=O)(NC3=CC=CC=C3)=O)C=C2 Q9H2G2 5
Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)-c3cccs3)cc2Cl)c1 Q9NRH2 5
Fc1c(c(ccc1NS(=O)(=O)CCC)F)-n2nnc(c2)-c3cncc(c3)OC Q9H3Y6 7.27572413039921
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O Q96SB4 5
CC(C)OC(N(CC1)CCN1C2=NC3=C(C4=CN=C(C(F)(F)F)C=C4)C=NN3C=C2)=O P78362 5
COc1ccc(cc1C(N)=O)-c1ccncc1 Q9UPE1 5
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N(C)C)c2cc1OC Q9UPE1 5
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O Q9UPE1 5.50863830616573
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(N(C)CC)(=O)=O)=C4)=C3 Q9UPE1 6
O=C(C1CC1)NC2=NNC3=C2C=CC(C4=CC=CC(NS(CC(C)C)(=O)=O)=C4)=C3 Q9UPE1 5.38721614328026
Fc1c(c(ccc1NS(=O)(=O)CCC)F)-n2nnc(c2)-c3cncc(c3)OC O94804 5
NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2ccccc12 O94804 6.43179827593301
COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 O94804 5.95860731484177
ClC1=CC=C(F)C(C2=NC(N=CC=N3)=C3C(NC4=CC=NC=C4)=N2)=C1 O94804 6.20065945054642
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 O75716 6.33724216831843
CNC(=O)c1cncc(\C=C\c2ccccc2Cl)c1 Q13188 5
N(c1ncc(o1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1 Q13188 5
Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)-c3cccs3)cc2Cl)c1 Q8WU08 5
COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 Q86UX6 5
O=C(NCC1=CC=CC=C1)C2=CC=C(S(=O)(NCC3=CC=CC=C3)=O)C=C2 Q86UX6 5
COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 Q9BYT3 5
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 Q9BYT3 6.69897000433602
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1 Q9NRP7 7.56863623584101
Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1 Q15208 5
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q15208 6.55284196865778
O[C@H]([C@H](O)[C@@H](CO)O3)[C@@H]3N1C2=C(C(N)=NC=N2)C(I)=C1 Q9Y2H1 6.2839966563652
Fc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Q13043 5
O=C(NCC1=CC=CC=C1)C2=CC=C(S(=O)(NCC3=CC=CC=C3)=O)C=C2 Q13043 5
O=C(N(CC1=CC=CC=C1)CCCC)C2=CC=C(S(=O)(NC3=CC=CC=C3)=O)C=C2 P43405 5
NS(=O)(=O)c1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Q7L7X3 6.65757731917779
C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C P36897 5
ClC1=CC=C(F)C(C2=NC(N=CC=N3)=C3C(NC4=CC=NC=C4)=N2)=C1 P36897 7.69897000433602
Clc1c(cccc1)-n2nc(c4c2-c3sc(nc3CC4)NC(=O)NCc5[nH]ccn5)-c6cnccc6 P37173 6.44369749923271
Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1 P37173 6.60205999132796
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC Q59H18 5
O=S(NC1=CC(C2=CC=C(C(NC(C3CC3)=O)=NN4)C4=C2)=CC=C1)(N(CC)CC)=O Q59H18 5
COc1c(cc(cc1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1)C(N)=O Q9BXA7 5
NC(=O)c1cc(cc(c1N)-c1ccncc1)-c1ccc(F)cc1 Q9BXA7 5
Cc1cc(cc(C)c1\C=C\c1cncc(c1)-c1nn[nH]n1)-c1ccccn1 Q9BXA7 5
O=C(NCC1=CC=CC=C1)C2=CC=C(S(=O)(NCC3=CC=CC=C3)=O)C=C2 Q9BXA7 5
s1c(nc3c1-c2n(nc(c2C(C3)C)-c4cnc(cc4)NCC)-c5c(cccc5)C)NC(=O)OC Q96PN8 5
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1 P33981 6.79588001734407
Clc1c(cc(cc1)C#CC2(CCN(CC2)C)OC)-c3nc-4c(cn3)CCc5nc(sc5-4)NC(=O)C P29597 7.19382002601611
NS(=O)(=O)c1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Q06418 5
COc1c(cc(cc1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1)C(N)=O Q86Y07 5
S(=O)(=O)(N1CCC(CC1)Oc3c(cc2ncnc(c2c3)N[C@H](C)c4ccccc4)OC)C P0C1S8 5
Fc1c(c(ccc1NS(=O)(=O)CCC)F)-n2nnc(c2)-c3cncc(c3)OC Q9NYL2 7.10790539730952