p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
COc1cc(CN(C)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OC(F)F | Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1C1CCCCC1 | 0.516563 |
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2 | Cc1nn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1[C@H]1COCCN1C | 0.817913 |
CCc1ccc(N2C(=O)[C@H]3C(C(=O)OC)=NN[C@@H]3C2=O)cc1 | COC(=O)C[C@H]1CSCCN1Cc1cn(-c2cccc(C)c2)nc1C | 0.573787 |
Cc1cccc(-n2nnnc2SCc2c(C#N)c(C)nn2-c2ccccc2)c1C | COc1cccc(-c2c(CN(C)C)nn(C)c2N)c1 | 0.573561 |
Cc1cccc(NC(=O)Cn2nnc(-c3ccc(CN4CCC(C)CC4)cc3)n2)c1C | COc1cccc(-n2cnnc2SCC(=O)c2cc(C)n(C(C)C)c2C)c1 | 0.518033 |
COc1ccc(C2(C(=O)N3CCO[C@@]4(CCOC4)C3)CC3(CCC3)C2)cc1 | O=S(=O)(NCc1cn2ccccc2n1)c1ccc2c(c1)OCCO2 | 0.528322 |
CCCc1nc(N2CCC(c3cc(=O)[nH]c(C)n3)CC2)c2cnn(C)c2n1 | CC(C)Cc1cc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CC3CC3)C2)n(C)n1 | 0.732863 |
COCCc1noc(CN2CCC([C@@H](O)c3cccs3)CC2)n1 | COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N1CCNC(=O)C1)NC2=O | 0.515217 |
CC[C@H](O)CSc1nnc(CN)n1-c1cccc(C(F)(F)F)c1 | CC(=O)c1oc2ccccc2c1NC(=O)CN1CC[C@H]2CCCC[C@@H]2C1 | 0.51087 |
C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(Br)cc1 | N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(c3ccco3)=NN12 | 0.537988 |
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)CCc3nc4ccccc4[nH]c3=O)[C@@H]2C1 | COc1ccccc1/N=C1\S[C@H](C(=O)NCCc2ccccc2)CC(=O)N1C | 0.51373 |
COc1cccc(C(=O)NCCNc2nc(C)nc3sc4c(c23)CCCC4)c1 | CCc1nn2c(=O)cc(COC(=O)CSc3nnc(-c4ccc(Cl)cc4)n3CC)nc2s1 | 0.791583 |
O=S1(=O)CCc2[nH]c3c(F)cccc3c2C1 | Oc1ccccc1-c1nc(NCc2ccco2)c2ccccc2n1 | 0.506652 |
O=C(c1ccc(Cn2cnc3ccccc3c2=O)o1)N1CCCC1 | Cc1cc(C(=O)N[C@@H](C)c2nnn[nH]2)c(-c2ccccc2)o1 | 0.541943 |
CS(=O)(=O)N(CCCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 | COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2)C1 | 0.545861 |
Cc1ccc(-n2c(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)nnc2N2CCCC2)cc1 | O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1F)[C@H](C(=O)n1nnc3ccccc31)N1c3ccccc3C=C[C@@H]21 | 0.826904 |
COc1ccccc1Cc1noc2cc(OC(=O)c3ccncc3)ccc12 | COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)s1 | 0.627931 |
Cc1ccc(Cn2nc(C)c(C(=O)N3CC[C@@H](N4CCCC4)C3)c2Cl)cc1 | Cc1cc2nc(C)n(CC(=O)N3C[C@@H](O)[C@H](n4ccc5c(C(N)=O)ccnc54)C3)c2cc1C | 0.681218 |
C[C@H](c1ccccn1)N(C(=O)/C=C/c1ccc2c(c1)CCO2)C1CC1 | Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 | 0.516763 |
CO[C@]1(COc2ccccc2)CCN(C(=O)c2nccc(C)n2)C1 | CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@@H]2n1cnc2c(N)ncnc21 | 0.544041 |
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C1=NN(C(C)C)C(=O)CC1)CC2 | O=C(O)[C@H]1C[S@](=O)[C@@H]2c3ccccc3C(=O)N12 | 0.726626 |
CCc1ccc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 | Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 | 0.596095 |
Cc1cccc(CN2CCC[C@]3(CCN(c4ccccc4)C3)C2)n1 | NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cc3n(n1)CCC3)C2 | 0.52124 |
O=C(c1cnccn1)N1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1 | CCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)sc(C(=O)N(C)C)c1C | 0.537267 |
Cc1oc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1C(=O)O | O=C(O)c1cc(C(=O)O)cc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 | 0.536612 |
CN(c1ccc(Oc2ncnc3sccc23)cc1)S(=O)(=O)c1ccccc1 | COc1ccc(N(C[C@@H](O)CN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 | 0.636253 |
N#Cc1cccc(N2C[C@H](F)C[C@H]2C(N)=O)n1 | CC[C@H](COC)NC(=O)Nc1cc(-c2ccccn2)nn1C | 0.5 |
CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O | O=C(O)[C@@H](Cc1c(F)cccc1Cl)NS(=O)(=O)c1ccoc1 | 0.625 |
CCOc1ccc(CCCNS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 | O=C(Cc1ccc(O)c(Cl)c1)N1CCCC[C@H]1c1ccccn1 | 0.501706 |
O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCN(c2cc(C3CC3)n[nH]2)CC1 | Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 | 0.62335 |
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 | CN1CCO[C@@H](CNC(=O)c2cc3n(n2)CCCC3)[C@@H]1c1ccnn1C | 0.788594 |
COC(=O)N1CCN(Cc2cc(OC)c(O)cc2Cl)CC1 | COc1ccc(CN(C(=O)c2cccc(F)c2)C2CC2)cc1OCCc1ccccn1 | 0.508264 |
NC(=O)c1c(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)sc2c1CCC2 | Cc1ccc(-c2nc(Cn3cc(C(F)(F)F)ccc3=O)co2)c(C)c1 | 0.622428 |
CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc21 | CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1ccc2c(c1)OCO2 | 0.582609 |
O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 | CCn1nnc(C)c1C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 | 0.519871 |
Cn1ncc2c1C[C@@H](C(=O)NS(=O)(=O)c1cc(Br)cs1)CC2 | CCc1ocnc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 | 0.576923 |
CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl | CN(c1ccccc1)C1CCN(c2ccc3nccnc3n2)CC1 | 0.5 |
COc1ccccc1C(=O)N1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 | CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc(C)n1-c1ccccc1C | 0.582904 |
O=C(c1cccnc1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 | Cc1cccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nnc2-c2ccc(Cl)cc2)c1 | 0.598326 |
O=C(Cn1nnc2ccccc21)Nc1ccc(-c2nnc3n2CCCCC3)cc1 | O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)Nc1ccc2c(c1)OCO2 | 0.602683 |
Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(NCc2ccco2)n1 | CN(C)C(=O)c1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)cc1 | 0.585366 |
O=C(CC[C@@H]1CCCCO1)N1CCOc2ccncc21 | Cn1c(C(=O)O[C@H](C(=O)NC(C)(C)C)c2cccnc2)cc2sccc21 | 0.515247 |
Cc1ccc(-c2ocnc2C(=O)N2CCN([C@H](C)C(F)(F)F)CC2)cc1 | Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccccc1Cl | 0.515385 |
O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1ccccc1 | Nc1nc(SCC(=O)c2ccc3c(c2)OCCO3)nc2sc3c(c12)CCCC3 | 0.720721 |
O=C(N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cccnc1N1CCCC1 | CNC(=O)c1nn(C)cc1NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Br)c1C | 0.549061 |
Cc1csc2ncc(C(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)c(=O)n12 | CCCCCOC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S | 0.521878 |
CN(Cc1ccccc1N1CCCCC1)c1nc(O)c2cnn(C(C)(C)C)c2n1 | CN1C(=O)CO[C@H](C(=O)Nc2nccs2)[C@H]1c1ccc(Cl)cc1 | 0.622268 |
CO[C@H](C)c1noc(CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)n1 | CC(C)(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 | 0.599794 |
C#CCOc1c(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)cc(Br)cc1OC | O=C1CCCN1CCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3F)C2)C1=O | 0.549569 |
CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OC)cc1 | CC(C)(C)c1nnc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)s1 | 0.50057 |
CSCC[C@@H](NC(C)=O)C(=O)N1CCC[C@H](Oc2cccnn2)C1 | CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC | 0.53862 |
O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1 | C#CCn1c([C@@H]2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21 | 0.531686 |
CCS(=O)(=O)N1CCc2c(cccc2NC(=O)c2cc(C)nc(NC)n2)C1 | Cc1ccc(C(=O)O)cc1S(=O)(=O)ON1C(=O)c2ccccc2C1=O | 0.590234 |
COCc1cn(C2C[C@H]3CC[C@@H](C2)N3Cc2cc(F)cc(F)c2)nn1 | Cc1ccc(CN(C(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 | 0.503776 |
Cc1c([C@H](C)NC(=O)Cc2noc3ccccc23)cnn1-c1ccc(F)cc1 | CCOc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 | 0.654639 |
O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCCN1CCCC1=O | O=C(NC[C@@H]1CC1(F)F)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 | 0.615795 |
O=S(=O)(c1cc(F)ccc1Cl)N1CCCn2ncnc21 | Cc1c(-c2cc(C(=O)N3CCCC[C@H]3CN(C)C)no2)cnn1C | 0.611458 |
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 | COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](c1ccccc1)n1cnnn1)CC3 | 0.669371 |
CCn1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c(=O)c2cc(C(F)(F)F)ccc21 | CCc1c(C#N)c(N)nc2[nH]nc(N)c12 | 0.578142 |
Cc1cccc2cc(CN3CCN(C)C(=O)[C@@H]3C)c(-c3cccs3)nc12 | Cc1cc([C@H]2N(Cc3ccco3)C(=O)c3ccccc3N2C)cc(C)c1O | 0.638629 |
C[C@H](NC(=O)[C@H]1[C@H](O)CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cn1 | O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCN1CCCc2ccccc21 | 0.576145 |
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCCO2 | O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 | 0.526486 |
Cc1ccc(-c2ccc(/C=C(\Sc3nnc(C)[nH]3)C(=O)O)o2)c([N+](=O)[O-])c1 | CCn1nc(C)cc1S(=O)(=O)N1CC[C@H](Cc2cccc(CO)c2)C1 | 0.594369 |
COc1ccc(SCCC(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1 | C[C@H]1c2ccsc2CCN1C(=O)c1cc(Cl)c2c(c1)OCCO2 | 0.573404 |
Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)C)[C@H]4C2=O)cc1C | Cc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] | 0.667042 |
Cc1sc2ncnc(N3CCO[C@H](C)C3)c2c1C | O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)c1ccnn1C1CCCC1 | 0.565591 |
CCOc1ccccc1CN1C(=O)[C@@](O)(CC(C)=O)c2c(Cl)ccc(Cl)c21 | O=C(Nc1c(C(=O)c2ccco2)oc2ccccc12)c1ccco1 | 0.724104 |
CCCCOc1ccc([C@@H](CCC(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)C(=O)O)cc1 | CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc2c(c1)CCCC2 | 0.728831 |
Cc1cccc(-c2cc(N)n(-c3ccccc3C)n2)c1 | Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(Cl)cc2)CC3)cc1 | 0.514439 |
CC(C)[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1NS(=O)(=O)N(C)C | CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 | 0.529349 |
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 | Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2F)CC1=O | 0.513819 |
COc1cccc(NC(=O)[C@@H](NCC2CCCCC2)c2ccccc2)c1 | Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3cccc(O)c3)C2=O)cc1 | 0.534965 |
CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccco3)[C@@H]1[C@@H]2C | CCOc1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 | 0.524678 |
COc1ccc(C2(C(=O)N3CCOC[C@H](Cc4cccn5nccc45)C3)CCCCC2)cc1 | O=C(CCn1ccccc1=O)N1CCC(C(=O)O)(c2ccccc2)CC1 | 0.570115 |
CN(C1COC1)S(=O)(=O)c1ccc2onc(Cl)c2c1 | COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)SCc1ccccc1 | 0.507229 |
C[C@@H](NC[C@H]1Cc2ccccc2O1)c1ccc(N2CCC(O)CC2)cc1 | CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc[nH]c3)C1)CC2 | 0.505959 |
CN(CC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1)S(=O)(=O)c1ccccc1 | COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(Cc2ccncc2)CC1 | 0.522075 |
CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1cccc(F)c1 | Cc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)n1 | 0.554217 |
Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1NC(=O)c1ccco1 | Cc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)s1 | 0.567861 |
CCO/C=N/c1sc(C(=O)OCc2ccccc2)c(C)c1C(=O)OCC | CCC[C@H](C(=O)OCc1cc(=O)n2cc(C)ccc2n1)c1ccccc1 | 0.553911 |
NS(=O)(=O)c1cccnc1Nc1ccc2c(c1)OCCO2 | COc1ccc(C)cc1Nc1ccnc2c1c(=O)n(C)c(=O)n2C | 0.533035 |
CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl | C=C1c2ccccc2C(=O)N1CC(=O)NCc1ncc(C)c(OC)c1C | 0.631525 |
CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3)nc2O)cc1 | CNC(=O)c1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 | 0.5 |
CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)NCc3cccnc3)c2C1 | Cc1cc(C(=O)N(C)[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] | 0.579261 |
O=C(O)[C@H]1CC(=O)N(c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)C1 | Cc1cc(NC(=O)c2cc(-c3cccs3)on2)n(CCC#N)n1 | 0.634576 |
COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 | Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl | 0.535179 |
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(Cl)c(C(=O)O)c3)c(=O)n2[C@H]1c1ccccc1 | COc1ccc([C@@H](C(=O)O)N2CCNC(=O)CC2)cc1F | 0.559761 |
Cc1noc([C@H]2COCCN2C(=O)c2cccc(F)c2Cl)n1 | O=C1C[C@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)CN1Cc1ccncc1 | 0.571895 |
COc1cc(OC)c(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)cc1OC | CCc1nnc(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)o1 | 0.718941 |
Cc1nc(Cc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)o2)cs1 | Cc1c(C(=O)NCCN2CCCc3ccccc32)ccn1C | 0.521018 |
CCCCNC(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccco2)on1 | C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]2C1 | 0.544276 |
Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCO2)cc1 | CCOCCn1c(=O)c2c(nc3n(-c4ccccc4C)c(C)cn23)n(C)c1=O | 0.514811 |
COc1ccnc(N2CCCN(Cc3nc(C4CC4)no3)CC2)n1 | CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]21 | 0.595405 |
C[C@@]1(C(=O)Nc2nc3ccccc3s2)CC(c2ccccc2)=NO1 | CC1([C@@H]2CCCN(C(=O)N[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)C2)OCCO1 | 0.607568 |
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 | CCOc1ccccc1O[C@H]1CCN(C(=O)c2cc(O)nc3ccc(F)cc23)C1 | 0.515323 |
COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F | O=C(Nc1cccc2ncccc12)c1ccccc1-n1cnnn1 | 0.530635 |
CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)OC(C)(C)C1 | C/C(Cl)=C/Cn1c(NCCCn2ccnc2)nc2c1c(=O)n(C)c(=O)n2C | 0.635524 |
C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1ccc(F)cc1 | COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(Cl)o2)c(OC)c1 | 0.554348 |
CN1Cc2cccc(C(=O)N3CCC(O)(Cn4ncc5ccccc54)CC3)c2C1=O | CC(C)NC(=O)Cn1nc(-c2ccco2)ccc1=O | 0.518192 |
Cc1cc2nc(NN)sc2c(C)c1NC(=O)Cc1ccc(Cl)cc1 | N#C[C@@H](C(=O)c1cccc(-n2cccc2)c1)c1nc2ccccc2s1 | 0.607497 |
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