p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
CCOc1ccc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1[N+](=O)[O-] | O=C(c1ccccc1)c1c(-c2ccccc2)cc2ccccn12 | 0.596133 |
CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(F)c1 | COc1ccc([C@H](NC(=O)[C@@H]2CCCO[C@@H]2C)C(=O)O)cc1F | 0.588298 |
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 | CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)c(Cl)cc3OC)CC2)cc1 | 0.546525 |
O=S(=O)(c1ccc(Cl)cc1)c1nnn2c1nc(NCCc1ccccc1)c1sccc12 | O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCc2ccccc21 | 0.672655 |
O=C(Cn1ccc2ccc(Br)cc21)N[C@H]1CC[C@H](CN2Cc3ccccc3C2=O)CC1 | Cn1[nH]c(=O)c2c(=O)c(C(=O)O)c[nH]c21 | 0.54828 |
CC(=O)NCc1cnc([C@@H]2CCN(C(=O)c3n[nH]c4ccccc34)C2)[nH]1 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1 | 0.508197 |
COc1ccc(-c2nc(CSCC(=O)O)c(C)o2)cc1 | CC1CCC(n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc32)CC1 | 0.518135 |
CSc1ccc(CN2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 | COCCN1C(=O)C[C@@H](C(=O)OC)C12CCN(C(=O)COc1ccccc1Cl)CC2 | 0.548794 |
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc2ccccc2o1 | CCOc1ccc(OCC)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)c1 | 0.508251 |
COCc1c(C(=O)N2CC[C@@H](C(N)=O)C2)oc2ccccc12 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1nc(C)n(-c2ccccc2)n1 | 0.61163 |
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 | COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N1CCCCC1 | 0.584946 |
O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 | COc1cccc(CCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1 | 0.513002 |
Cc1cc2nc(C)c(CCC(=O)N[C@@H](C[S@](C)=O)c3ccccc3)c(C)n2n1 | Cc1ccc(-c2cc(C(=O)Nc3cnc4c(c3)c(C)nn4C)c3c(C)noc3n2)s1 | 0.714859 |
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 | Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)CC1 | 0.507415 |
CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(C#N)cc1 | COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 | 0.54894 |
Cc1cc(C)c2c(n1)sc1c(N)snc12 | CC(C)OCCN1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3ccccc23)CC1 | 0.634837 |
CCc1c(C)noc1NC(=O)[C@H](CC(C)C)NC(=O)c1cccs1 | Cc1nn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 | 0.500557 |
CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(Br)cc2)cc1Cl | COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(-c2cccs2)no1 | 0.575286 |
C[C@H](OC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 | CCN(CC)CCNc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C | 0.646454 |
Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1ccc(F)c2occc12 | Cc1cccc(NC(=O)c2nc(C)n(-c3ccc(OC(F)F)cc3)n2)c1 | 0.633197 |
CC(C)C(=O)c1ccc(NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc1 | Cc1ccc(-c2nc(CN3CCC[C@H]3c3n[nH]c(=O)[nH]3)c(C)o2)o1 | 0.573404 |
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN3CCC[C@H]3C2)c1 | O=C(c1c(C(F)F)nc2cnccn12)N1CCc2c(F)ccc(F)c2C1 | 0.545455 |
Cc1ccc(Br)cc1C(=O)Nc1nnn(-c2ccc(F)cc2)c1C | CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1 | 0.583421 |
C[C@@H]1CCCC[C@@]12NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O | COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1Br | 0.682801 |
CCN1C(=O)N/C(=C/c2cn(C)c3ccccc23)C1=O | CC(=O)c1c(C)nn(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c1C | 0.567045 |
COCC(=O)N1CCC[C@@H](c2cccc(-c3noc(C(F)(F)F)n3)n2)C1 | O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccoc1 | 0.620726 |
C[C@@H]1CCC[C@@H](C)C1NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 | O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(O)c2)/C1=C(\O)c1ccc2c(c1)OCCO2 | 0.634985 |
CC(=O)C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Br)cc1 | C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cc2ccccc2o1 | 0.625663 |
COc1coc(C(=O)NCCCCc2ccc(F)c(F)c2)cc1=O | CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)nnc1C1CC1 | 0.529412 |
Cc1n[nH]c(C)c1CCCNC(=O)[C@H](c1cccnc1)N1CCCC1 | Cc1nnsc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 | 0.514188 |
Cc1ncsc1CN1Cc2c(nc(C)n2C(C)C)C2(CCN(C)CC2)C1 | CC(C)(C)c1cc(NC(=O)c2ccccc2F)n([C@@H]2CCS(=O)(=O)C2)n1 | 0.70292 |
CCN(CCc1cn([C@H]2CCO[C@H](CC(=O)O)C2)nn1)C(=O)c1ccc(N(C)C)cc1F | COc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCCCC1 | 0.594156 |
COC(=O)[C@H](O)CNS(=O)(=O)c1cc2c(cc1Br)OCCO2 | O=C(c1ccccc1-c1nc[nH]n1)N(CCOc1ccccc1)C[C@@H]1CCCO1 | 0.502247 |
O=C1C(=O)N(CCO)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 | Cc1nn(C)c2nc(NCCCN3CCC[C@@H](CO)C3)sc12 | 0.603109 |
CN(C)c1cccc(C(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)c1 | O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cccn(Cc2ccccc2)c1=O | 0.765358 |
CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 | CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1C | 0.858546 |
C=CCN1CCC[C@]2(CC1)CN(C(=O)C1CCOCC1)Cc1ccccc1O2 | COc1ccccc1[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F)c1nccn1C | 0.608035 |
Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 | Cc1cc(S(=O)(=O)N2CCC(n3cc(CO)nn3)CC2)c(C)s1 | 0.647246 |
Cc1cc(C)c(C#N)c(N2CCCN(C(=O)Cc3cccs3)CC2)n1 | COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(-c3ccc(O)cc3)o1)C2 | 0.558386 |
Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 | O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cnn(-c2ccccc2)c1 | 0.623246 |
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](C1CCCCC1)SCC(O)=N2 | Cc1cc(C(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)nc(N)n1 | 0.544707 |
C[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)N1CCc2ccccc2C1 | Cn1c(CNC(=O)c2ccccc2SC[C@]2(C)NC(=O)NC2=O)nc2ccccc21 | 0.537716 |
O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1[N+](=O)[O-] | 0.534231 |
CCOc1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 | C[C@@H](N[C@H](C)c1ccccc1Br)C(=O)Nc1ccc(S(N)(=O)=O)cc1 | 0.509569 |
Cc1scnc1CN1CC[C@H]2[C@H](C1)OCc1cnnn12 | O=C(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1)N1CCOc2ccccc21 | 0.674089 |
CCCN1C(=O)[C@@]2(CCN(C(=O)c3ccc(-c4cnco4)cc3)C2)c2ccccc21 | C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(O)c(Cl)c2)S1 | 0.775025 |
C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CCc2nc(-c3cccnc3)no2)o1 | CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2csc(C)c2)CC1 | 0.546893 |
COCCN1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S | Cc1cc(C[C@@H]2CN(c3nc(C)ncc3C)C[C@@H]2O)on1 | 0.611971 |
N#Cc1cccnc1N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1 | CC(C)[C@@H](NC(=O)N1CC[C@]2(CCOC2)C1)c1nnc2n1CCC2 | 0.625674 |
COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O | Cc1ccccc1C(=O)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 | 0.610116 |
CNC(=O)[C@H](C)NC1=CC(=O)[C@@]2(Oc3c(Cl)c(OC)cc(OC)c3C2=O)[C@H](C)C1 | CCn1cnnc1NC(=O)c1c(F)cc(Br)cc1F | 0.519013 |
CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)CCCO2 | Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2c(C)noc2C)c(C)c1 | 0.530398 |
CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N(CCO)Cc1ccccc1)C2 | CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc(Cl)c2c(c1)OCO2 | 0.544768 |
C[C@@H](Sc1nnc(-c2ccncc2)n1CC(F)(F)F)C(=O)NC1CC1 | Cc1ncc(C(=O)N[C@]2(c3ncc(C)[nH]3)CCOC2)c(C)n1 | 0.540481 |
CCCCN(C)C(=O)c1nc2ccccn2c1CN[C@@H](C)Cc1cccnc1 | COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](SC(N)=C3C(=O)Oc4ccccc4[C@H]32)C1=O | 0.674926 |
Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4F)CC3)n2CCc2ccccc2)n(C)c1=O | CCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 | 0.504107 |
COc1cc(/C=C/C(=O)OCc2ccccc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC | COc1ccc(CCN(C)C(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1OC | 0.50989 |
CC(C)c1ccc(Cn2nccc2NC(=O)N2CCO[C@]3(CCCOC3)C2)cc1 | Cc1nnc(SCCCNS(=O)(=O)c2c(C)nn(C(C)C)c2C)s1 | 0.562836 |
CC(C)C[C@H](C)N(C(=O)c1nnn(C(C)(C)C)n1)c1ccc2[nH]ccc2c1 | CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CCS[C@@H]2COCC[C@@H]21 | 0.610592 |
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 | CC(=O)Oc1c([N+](=O)[O-])cc2oc(C)c(C(=O)c3ccccc3)c2c1[N+](=O)[O-] | 0.716867 |
COC(=O)c1cc(NC(=S)NCc2cccc(N3CCCC3=O)c2)ccc1Cl | CCc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@@H]2CC1 | 0.526841 |
O=C(O)CCC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](c3cccnc3)C2)cc1 | Nc1c(C(=O)N2CCOCC2)nnn1-c1ccc(NC(=O)c2ccco2)cc1 | 0.539871 |
Cc1nc([C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c2ccccc2)n[nH]1 | C[C@@]1(NC(=O)CN2CC3(CCOCC3)Oc3ccccc3C2=O)CCS(=O)(=O)C1 | 0.589362 |
Cc1c(CN2CCC[C@@H]2C2(O)CC2)cc(C#N)n1C | CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)CCn1c(C)csc1=O | 0.517203 |
O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC[C@@H](c1ccco1)N1CCCCC1 | Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O | 0.516384 |
COc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccnc5)no4)cc3CO2)cc1 | O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(-c2cccnc2)nc2ccccc12 | 0.659465 |
CC(C)n1c(=O)c2c3c(sc2n(CC(=O)Nc2ccccc2)c1=O)COC(C)(C)C3 | Cc1c(Br)cnc(NC(=S)N[C@@H](C)c2ccccc2)c1Cl | 0.59018 |
COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 | COc1cccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)c1 | 0.518129 |
COCCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc21 | C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S | 0.58127 |
CCc1ccccc1-n1c(SCC(=O)c2ccc(OC)cc2OC)nnc1N1CCOCC1 | CCn1cc(Cl)cc1C(=O)NCC12CC(C(=O)NC)(C1)C1(CCNCC1)O2 | 0.704615 |
CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1ccc2c(c1)ncn2CCO | COc1ccc(CN2CCO[C@@]3(CN(Cc4ccco4)C[C@H]3c3cccnc3)C2=O)cc1 | 0.631417 |
CCCc1noc(-c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2OC)n1 | O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)[C@H]1CC(F)(F)CN1 | 0.508161 |
Cc1ccc(C)c(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)c1 | COc1cccc(CN[C@@]2(CO)COc3ccccc3C2)c1F | 0.545265 |
O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H]2CCO[C@H]12 | Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)[nH]n1 | 0.649177 |
COc1ccc([C@@H](C)[C@@H](N=[N+]=[N-])C(=O)N2C(=O)OC[C@@H]2c2ccccc2)c(C)c1 | COc1ccc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OCC(N)=O | 0.69104 |
O=C(NCC1CC1)C1CN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)C1 | O=C(c1cccc2c1CCC2)N1CC[C@](C(=O)O)(C(F)(F)F)C1 | 0.521387 |
CC(=O)N[C@@H]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1 | COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](CO)C(=O)O)ccc3C2=O)c(OC)c1 | 0.560818 |
COc1cc(C)c([C@@H]2NC[C@@H](C(=O)O)S2)cc1C(C)C | C[C@H](NC(=O)Cc1noc2ccccc12)c1ccc2nc(O)oc2c1 | 0.509956 |
CCc1nn2c(=O)cc(CSc3nc4ccc(NC(=O)c5ccco5)cc4s3)nc2[nH]1 | CCn1nccc1S(=O)(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C | 0.692308 |
C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC2(C1)OCCO2 | CNC(=O)[C@@]1(COC)CCCN1C(=O)CC1CC(F)(F)C1 | 0.519417 |
C[C@H](NC(=O)N1Cc2ccccc2OC[C@@H]1C)C(=O)N(C)C | COc1cccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)c1OC | 0.541237 |
COc1ccc(NC(=O)c2nnc(CSc3nc(N)c4c5c(sc4n3)C[C@@H](C)CC5)s2)cc1 | CC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 | 0.510814 |
CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccc(Br)cc1 | O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCc1noc(-c2ccccc2)n1 | 0.550612 |
CCOC(=O)c1c(NC(=O)CN2CCN(Cc3ccco3)CC2)sc(C)c1C | CCCn1c(N)c(C(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)c(=O)[nH]c1=O | 0.659919 |
C[C@@H](CCSc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C | CCOCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(Cl)cc1Cl | 0.598335 |
C[C@@H]1CC=C[C@]2(O1)O[C@@H]1CC(=O)O[C@@H]1[C@]1(O)C(=O)c3ccccc3C(=O)[C@]21O | O=C1C[C@@H](c2ccccc2)N(Cc2nc3cc(F)ccc3o2)CCN1 | 0.665335 |
C[C@H]1CCCCN1C1CN(c2nc(-c3cccnc3)nc3c2cnn3C)C1 | Cc1ccc(C)c(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)c1 | 0.629744 |
O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCC[C@](CC2CC2)(C(=O)O)C1 | C[C@@]1(NC(=O)C2CCN(c3cnccn3)CC2)CCCC[C@@H]1C(=O)O | 0.51087 |
C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1=O | CCOc1c(CN(C)Cc2nc3ncccn3n2)cccc1OC | 0.564182 |
Cc1nnsc1CN(C)CCC(=O)Nc1nc2ccccc2s1 | O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCN(Cc2cccs2)CC1 | 0.506118 |
COc1ccc([C@H](NC(=O)c2cc(C(C)C)on2)C(=O)O)c(OC)c1 | Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN(C[C@H]1CCCO1)C3 | 0.659138 |
Cc1nc(CN2CCC[C@@H](CNC(=O)c3ccc4nnnn4c3)C2)no1 | N#CC1(C(=O)NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)CC1 | 0.521595 |
COc1ccnc(CN2C[C@H](Cc3ccccc3)CC2=O)c1OC | CNC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1 | 0.523965 |
Cc1c[nH]c([C@H]2CN(C(=O)c3nccc4ccccc34)CCO2)n1 | COc1ccccc1-n1cc(CN2CCC[C@H](CNC(=O)c3cc(C)on3)C2)cn1 | 0.518313 |
CC(C)c1ccc2nc(-c3ccncc3)[nH]c(=O)c2c1 | O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)C1CCC(Cn2cnnn2)CC1 | 0.512907 |
NN1N=N[C@H]2[C@@H](C=NN2c2ccccc2)C1=O | Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1ccc2c(c1)CCO2 | 0.557235 |
Cc1nccc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 | Cc1ccn(-c2ccccc2NC(=O)N2CCO[C@@]3(CCOC3)C2)n1 | 0.552492 |
CCCC[C@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 | Cc1ccc(C)c(Cn2ccn(-c3ccc(Cl)cc3)c(=O)c2=O)c1 | 0.556874 |
COc1ccc(F)cc1[C@@H](NC(=O)Cc1cnc(O)nc1O)[C@H]1C[C@@H](O)C1 | O=C(CNC(=O)C1CCCCC1)N[C@H](c1ccc(F)cc1)c1cccs1 | 0.502326 |
CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C | Cc1noc(C)c1CO[C@@H]1CCN(c2ccc3nnc(C)n3n2)C1 | 0.539474 |
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