p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
O=C(NCc1cnn(Cc2ccccc2)c1)[C@@H]1C[C@H]2CC[C@H]1O2
|
COc1cc(/C=c2\s/c(=C(/C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)ccc1OC(F)F
| 0.569089 |
Cc1ccc(OCC(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)O)cc1C
|
FC(F)(F)c1cccc(-n2nnnc2[C@@H](c2ccccc2)N2CCOCC2)c1
| 0.519694 |
CCOC(=O)c1sc2ncnc(N3CCC(NS(C)(=O)=O)CC3)c2c1C
|
Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2C)ccc1Br
| 0.609959 |
CCOC(=O)c1cnn(-c2cccc(NC(=O)[C@@H](C)OCC(F)(F)F)c2)c1C(F)(F)F
|
CC(C)(O)Cn1c(N)nc2cccc(Cl)c21
| 0.542448 |
C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1ccc(Cl)cc1
|
CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O
| 0.737538 |
CCCN(CC1CC1)S(=O)(=O)c1cccc2cc(C)cnc12
|
CCc1cccc2c3nnc(S)nc3n(C)c12
| 0.548673 |
Cc1nc(C)n(CCCNC(=O)[C@H]2CCCc3c2[nH]c2ccccc32)n1
|
Cc1ccc(-n2c(SCC(=O)NCCCN3CCCC3=O)nc3ccccc32)cc1
| 0.596603 |
Cc1nc(C(=O)N[C@H](C)CCc2cccn2C)nn1-c1nnc(C(F)(F)F)[nH]1
|
Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)CN3CCc4ccccc4C3)n2)sc1C
| 0.647609 |
CCOC(=O)c1cccc2c(=O)c3c([nH]c12)C(=O)c1c([nH]c2c(C(=O)OCC)cccc2c1=O)C3=O
|
COc1cc2c(cc1OC)[C@H](Cc1ccc(O)cc1)[N@+](C)(Cc1ccc(O)cc1)CC2
| 0.558671 |
Cc1nc2c(c(N(C)C)n1)CCN(S(=O)(=O)c1ccc(C(=O)O)cc1)C2
|
Cn1nnc(-c2ccccc2)c1CN1CC[C@H](Cc2ccccn2)C1
| 0.590717 |
O=C(Cc1c(Cl)cccc1Cl)N(C1CC1)[C@@H]1CCS(=O)(=O)C1
|
COc1ccc(C(=O)CN(C)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1OC
| 0.598621 |
CN(C)CCCN(C)[C@H]1CCCN(C(=O)CCn2c(=O)[nH]c3ccccc32)C1
|
COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)c1
| 0.533044 |
CC(=O)NCC(=O)N(C)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O
|
Cn1cnc(-c2ccc(NC(=O)N3CCN4CCOC[C@@H]4C3)cc2)n1
| 0.518398 |
Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccs1
|
c1ccc2c(c1)CCc1nnc(CN3CCCC3)n1-2
| 0.509912 |
C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc(-n2ccnc2)cc1
|
COc1ccccc1OCCSc1nc2ccc(Cl)cc2c(=O)[nH]1
| 0.5 |
CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(N2CCNCC2)nc1
|
CCCn1ccnc1CNC(=O)Nc1ccc(N2CCCC2=O)c(C)c1
| 0.514451 |
COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)COc1cn(C)c(C)cc1=O
|
CCN1C(=O)/C(=C/c2ccco2)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1
| 0.524784 |
Cc1cc(=O)n(S(=O)(=O)c2ccc3ccccc3c2)c2nn(CC(F)(F)F)c(C)c12
|
COc1ccc(-n2nc(CCSC)nc2[C@H]2C[C@H](N(C)C)C2)cc1C
| 0.655936 |
CCCn1c(=O)c2ccccc2n(Cc2nc(Cc3ccccc3F)no2)c1=O
|
COc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c2cccnc12
| 0.577895 |
O=C(N1CCC1)C1(n2ccnc2)CCN(S(=O)(=O)c2cccnc2)CC1
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1
| 0.545946 |
O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
|
COc1ccc(-c2cc3n(n2)[C@@H](NCc2ccccc2)CNC3=O)cc1
| 0.633788 |
COc1cc(C(=O)NCc2cc3cc(Cl)ccc3n2C)cc(OC)c1OC
|
O=C1NCCN(C(=O)c2ccccc2-n2cccn2)[C@@H]1c1cccc(F)c1
| 0.582711 |
CO[C@@H](CNC(=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccsc1
|
O=C(c1cnccn1)N1C[C@H]2[C@@H](CCOCc3ccccn3)CO[C@H]2C1
| 0.558442 |
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1
|
COc1c(NC(=O)Nc2cnn(C)c2C(F)F)cc(Cl)cc1C(N)=O
| 0.632244 |
Cc1ccc(-c2nnc(S)n2CC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1
|
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1
| 0.511351 |
COc1ccc2nc(CCNc3ncccc3C(N)=O)[nH]c2c1
|
COc1ccc(NC(C)=O)cc1S(=O)(=O)N(CCN)[C@@]1(C)CCS(=O)(=O)C1
| 0.516685 |
CN(C)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Br
|
Cc1cc2nccc([C@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2n1
| 0.53355 |
CO[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[C@H]1C
|
CN(C)c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1
| 0.577778 |
Cc1ccccc1N1C[C@H](C(=O)Nc2ccc3nc[nH]c(=O)c3c2)CC1=O
|
CC(C)Oc1cccc(F)c1[C@@H](C(=O)O)N(C)Cc1ccon1
| 0.526602 |
CC1CC(C(=O)N2CCn3c(COCC4CC4)nnc3C[C@H]2C)C1
|
Cc1ncn(CC(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c(=O)c1C
| 0.559551 |
Cc1cc(S[C@@H](C)C(=O)N2CCOCC2)nc2c(C)cccc12
|
CN(Cc1ccco1)C(=O)[C@@]1(C)Sc2ccccc2NC1=O
| 0.538462 |
C/C(O)=C/C(=O)c1c(C)nn(-c2nc(-c3ccccc3)cs2)c1O
|
C=CC(=O)Nc1ccc(O)c(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1
| 0.544503 |
C=CCn1c(SCC(=O)N[C@H]2CCCCNC2=O)nnc1-c1ccc(OC)cc1
|
COC(=O)[C@@H]1CCCN1Cc1cc(=O)oc2cc(C)c(C(C)C)cc12
| 0.565689 |
Cc1nc2ccc(C(=O)N3CCCN(CC(F)(F)F)CC3)cc2o1
|
COc1ccc2c(COC(=O)[C@H]3COc4ccccc4O3)cc(=O)oc2c1
| 0.522596 |
Cc1cc(C(=O)NCCc2ncc[nH]2)c(C)n1-c1ncccn1
|
Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)c(Cl)c1
| 0.575358 |
COc1cccc(Cl)c1C(=O)N1CC[C@@H](NC(=O)CSCC(N)=O)[C@@H](O)C1
|
NC(=O)Nc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1
| 0.508541 |
C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C(C(=O)OCCCCCCC)=C(N)O2
|
CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(/C(O)=N/C2CC2)C1
| 0.619919 |
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1
|
Cc1nccn1C[C@H]1CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1
| 0.521783 |
COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C(=O)N1CCCCCC1
|
C#CCCC1(CCC(=O)Nc2ccc(C)c(Oc3ccnc(C(=O)NC)c3)c2)N=N1
| 0.55898 |
Cc1cnc([C@@H]2CCCN(C(=O)c3cccc4cccnc34)C2)s1
|
CC(C)c1cc(N2CCC(n3cc(C(N)=O)nn3)CC2)nc(N(C)C)n1
| 0.56087 |
COc1c(C(=O)NCCCn2nc(C)cc2C)nnn1Cc1ccc(C)cc1
|
Cc1sc(NC(=O)c2ccc(=O)[nH]n2)nc1-c1ccc(OC(F)F)cc1
| 0.574332 |
COc1cccc2c1Oc1cc([N+](=O)[O-])cc(C#N)c1C=C2
|
CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C
| 0.569755 |
C[C@@]1(NC(=O)[C@@H]2CCCc3c(O)cccc32)CCN(C(=O)OCc2ccccc2)C1
|
COC(=O)/C=C/C(=O)NCC1(c2ccccc2OC)CCOCC1
| 0.542491 |
CCOC(=O)c1csc(C2CCN(Cc3ccsc3)CC2)n1
|
O=C(N[C@H]1CCOC12CCOCC2)c1ccc2scnc2c1
| 0.524551 |
C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@]1(C)CC1(Cl)Cl
|
COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N2CCN(c3ccccn3)CC2)c1C
| 0.571429 |
Cc1cccc2c(=O)n(CCCC(=O)OCc3nc4ccccc4s3)cnc12
|
CC(=O)N1CC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)NCCC2CCCC2)C1
| 0.565689 |
N#Cc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)c(Cl)c2)c(=O)[nH]c1=O
|
O=C(NCc1ccccc1Cl)c1nn(-c2ccccc2F)nc1CO
| 0.534783 |
O=C(N[C@H](CO)c1ccccc1)c1ccccc1Cn1cc(-c2cccnc2)nn1
|
Oc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1
| 0.674747 |
Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@](C)(O)c3ccc(-c4ccccc4)cc3)cc21
|
O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cccnc1-n1cncn1
| 0.670061 |
O=C1N2Cc3cn(nn3)CCCOc3cccc(c3)[C@@H]3N(Cc4cnc[nH]4)CC[C@]13c1ccccc12
|
O=C(O)c1cc([N+](=O)[O-])cnc1/C=C/c1cnc(-c2ccccc2)nc1
| 0.642646 |
C=CCNC(=O)COC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1
|
COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@@H]2C(=O)O)c1
| 0.534685 |
CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)c1ccccc1
|
CCCSC1=NC2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N=C1c1ccc(OC)cc1
| 0.573271 |
COc1cc(OC)cc(C(=O)Nc2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)c1
|
Cc1nc(Sc2ccc3nnc(-c4ccccc4)n3n2)oc1C
| 0.620833 |
Nc1ccc2c(NC[C@@H](O)c3cc4ccccc4s3)ncnc2n1
|
Cn1ccnc1[C@@H]1CNCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2)n1
| 0.561571 |
COc1ccc(Nc2nc(Nc3ccc(I)cc3)nc(C)c2[N+](=O)[O-])cc1
|
COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2ccc(F)c(Cl)c2)cc1
| 0.612539 |
O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCCN2CCC[C@@H]2C1
|
O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccsc2)C1
| 0.569124 |
O=C(COn1nnc2ccc(C(F)(F)F)cc21)N[C@H]1CCCc2ccccc21
|
C[C@H]1c2ccccc2CN1C(=O)CN1C(=O)CC[C@H](N2Cc3ccc(N)cc3C2=O)C1=O
| 0.61488 |
CN[C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCCn3ccnc3)c(=O)cc21
|
C[C@H]1CCc2onc(C(=O)NCc3cnn(C)c3)c2C1
| 0.610204 |
Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c(C)c1
|
CCC(CC)c1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)on1
| 0.652129 |
COc1ccc(C2=NN(C(=O)CSc3nnc(NC[C@@H]4CCCO4)s3)[C@H](c3ccco3)C2)cc1
|
COC(=O)C[C@@H](O)CC(=O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C
| 0.711847 |
COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)c3ccccc3)o2)cc1
|
CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1
| 0.541037 |
CC1CCN(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)CC1
|
CC(=O)c1c(-c2ccccc2)nc2n(CCN3CCCCC3)c3ccccc3n12
| 0.503619 |
CC[C@@]1(C)Cc2sc3c(=O)[nH]c(=S)[nH]c3c2CO1
|
O=C(NC[C@@H](c1ccccc1F)N1CCCC1)c1cc(C(F)(F)F)[nH]n1
| 0.589397 |
C[C@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1c(F)cccc1F
|
Cc1noc([C@H]2CN(Cc3cc(=O)n4cccc(C)c4n3)C[C@@H](C)O2)n1
| 0.601266 |
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCc3ccccc3C2)o1
|
CCCN(CC1CC1)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1
| 0.576344 |
CCN1C(=O)C[C@@H](CNc2nc3ccccc3o2)[C@@H]1c1nccn1C
|
Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1
| 0.684749 |
C[C@@](C#N)(NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)C1CC1
|
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
| 0.578275 |
COc1ccc(Cc2nn3c(SCC(=O)Nc4ccc(Cl)c(Cl)c4)nnc3nc2O)cc1
|
CC1=C(C(N)=O)[C@@H](c2ccccn2)N2NC(c3ccc(Cl)cc3)=NC2=N1
| 0.745509 |
COc1ccc(Cl)cc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1
|
Cc1cc(NC(=O)c2cccc(-n3cccn3)n2)[nH]n1
| 0.520763 |
Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2nccn2C)c(C)c1
|
Cc1cc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)no1
| 0.549839 |
CC(C)(C)OCCN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O
|
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCC)cc2)cc1
| 0.711499 |
CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1cc(C2CC2)on1
|
O=C(N[C@@H]1CCSc2ccccc21)c1cnn(Cc2ccccc2Cl)c1
| 0.539446 |
O=C(c1ccccc1F)N1CC[C@H](c2noc(-c3ccccc3)n2)C1
|
O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCCN(c2ncccn2)CC1
| 0.57971 |
CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1OS(=O)(=O)c1ccc(C)cc1
|
CNC(=O)CN(C[C@@H]1C[C@H]1c1ccccc1)C(=O)c1cc2c([nH]1)CCOC2
| 0.584783 |
Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1
|
CCc1nnc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)s1
| 0.584946 |
O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)NCc1ccco1
|
Cc1noc(-c2ccc(N3CCC4(CCC(=O)N(C)CC4)CC3)nc2)n1
| 0.521945 |
COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccc1Cn1ccnc1C)CC3
|
COc1ccc2c(c1)N(Cc1ccccn1)CCO2
| 0.535484 |
Cc1sc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)nc1-c1ccccc1
|
O=C(Nc1cccc(-n2cnnc2)c1)[C@@H]1OCOc2ccccc21
| 0.569915 |
COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cccc(C)n1
|
COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2scnc2C)o1
| 0.738167 |
CN(CCOc1ccccc1F)c1ncnc2c1cnn2CCC#N
|
C#CCOc1cccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(OC)nn2)c1
| 0.676737 |
Cc1c(/C=C/C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cnn1C
|
CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(C(=O)c2cn[nH]c2C)C1
| 0.673096 |
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccccc1
|
Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)[nH]1
| 0.631048 |
Cc1cccc(CCCNC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)c1
|
CCOc1nc2ccccc2nc1[C@H](C#N)C(=O)NCc1ccccc1OC
| 0.532609 |
COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1
|
CCCC[C@H](CC)Cc1nnc(SC)n(N)c1=O
| 0.525615 |
C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O
|
O=C1C[C@H](c2ccc(Cl)cc2)N2N=C(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)NC2=N1
| 0.777223 |
Cc1nn(CCCNC(=O)CCn2ncc([N+](=O)[O-])c2C)c(C)c1Cl
|
O=C(O)C[C@H]1C[C@@H](n2cc([C@H]3CC[C@H](CNC(=O)c4cc5ccoc5cc4F)CC3)nn2)CCO1
| 0.533769 |
COc1ccc(S(=O)(=O)N2CCCN(C(N)=O)CC2)c2ccccc12
|
COCCNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1
| 0.510526 |
CC(=O)Nc1nc(C(=O)N[C@@H](C)Cn2cccn2)cs1
|
CCn1nnc2c(N3CCN(C(=O)NCc4cccc5ccccc45)CC3)ncnc21
| 0.50055 |
O=C(NOC[C@H]1CCOC1)N1CCc2nnc(N3CCCOCC3)cc2C1
|
C=C1c2ccccc2C(=O)N1CC(=O)N(C)Cc1ccc(F)cc1
| 0.53125 |
Cc1nnc(N2C[C@H](C(=O)N3CCc4c(O)ncnc4C3)CC2=O)s1
|
CCN1C(=O)/C(=C2\SC(=S)N(C3CCCC3)C2=O)c2cc(Br)ccc21
| 0.739303 |
CCN1C(=O)C[C@@H](C(=O)NCc2ccc(CO)cc2)[C@@H]1c1ccccc1C
|
CCCn1nnnc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br
| 0.502217 |
COC[C@@H](NS(=O)(=O)c1cc(C)c(C)cc1OC)c1ccccn1
|
CCn1c([C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
| 0.597665 |
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1)Oc1ccccc1
|
Cc1ccc(-n2c(S[C@H](C)C#N)nc3ccccc3c2=O)cc1F
| 0.53871 |
Cc1nc(C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)nc(N2CCOCC2)c1C
|
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1
| 0.753521 |
COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1
|
Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCCC(=O)Nc1ccccc1
| 0.526927 |
O=C1N[C@@H](c2ccc(-c3ccc(F)cc3)o2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1
|
COc1cccc(/C=N\N2C(=O)CSC2=S)c1OCc1ccc(Cl)cc1Cl
| 0.592929 |
C=CC[C@@H](C)NS(=O)(=O)c1c(C)csc1C(=O)O
|
CC(C)Cc1nc2ccccc2n1[C@@H](C)C(=O)N(C)Cc1cc(C2CC2)on1
| 0.527041 |
COc1ccc(/C(=N/CCc2c[nH]c3ccccc23)C2C(=O)N(C)C(=O)N(C)C2=O)cc1
|
CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)ccc1F
| 0.611691 |
COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=N
|
Cn1ccnc1[C@H]1C[C@@H](Nc2nccn3cncc23)CCO1
| 0.629098 |
O=C(c1ccc(CSc2ccccc2)o1)N1CCC[C@@H]1c1nnc2ccccn12
|
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)c2ccccc21
| 0.838394 |
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