p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)n2c(nc3ccccc32)N1 | Cc1cc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3cccnc3)CC2)cc(C)n1 | 0.60364 |
CCOC(=O)c1sc(NC(=O)c2c(OC)cccc2OC)c(C#N)c1C | O=C(c1ccncc1O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 | 0.70102 |
CC(C)[C@H](C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1 | CC(C)(C)n1nc2c(c1NC(=O)CCc1ccccc1)CS(=O)(=O)C2 | 0.506908 |
CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCC1CC1)c1ccccc1O2 | CCOc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 | 0.62578 |
CCCc1cc(=O)oc2cc(OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)ccc12 | Cn1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)N1CCC[C@H](c2nnc(O)o2)C1 | 0.62115 |
COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC | Cc1cc(CN2CCN(C(=O)[C@@H]3Cc4ccccc4S3)CC2)on1 | 0.510846 |
Cc1ccc([C@@H]2CC(=O)c3nc(-c4ccccc4)[nH]c3C2)o1 | COc1cccc([C@@H]2c3ccccc3CCN2CC(=O)Nc2cc(C)on2)c1 | 0.55 |
Cn1/c(=N\C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc3c(cc21)OCCO3 | CCCCC[C@H](NC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)C(=O)OC | 0.658189 |
CCO[C@H]1c2cc3c(cc2[C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 | COc1ccc(C)cc1N(CC(=O)NC1CCN(C)CC1)S(C)(=O)=O | 0.594111 |
CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)c1 | Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 | 0.630851 |
O=C(O)c1cccc(CN2CCN3[C@@H](COC[C@@H]3c3ccccc3)C2)c1 | COc1cc(C)cnc1C(=O)NC[C@H]1C[C@@H](OC)CN1c1ccncn1 | 0.532222 |
COC(=O)c1nc(NC(=O)CCCNc2ncccn2)sc1C | COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(C(=O)C1C(C)(C)C1(C)C)CC2 | 0.560451 |
Cc1cc2nccc([C@H]3CCCCN3C(=O)CCc3cc(OC(C)C)no3)n2n1 | Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(Br)c(Cl)c1 | 0.573668 |
CCn1cc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(Oc2cccnc2)C3)nc1C | O=C(O)[C@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1C1CC1 | 0.500564 |
CCc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)c(Br)c1 | CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 | 0.586137 |
O=C(Cc1ccco1)N1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 | O=C(CCN1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1c[nH]nc1-c1ccc(F)cc1 | 0.662474 |
Cc1nc(N2CCc3ccnc(N)c3C2)ccc1C#N | CC[C@@]12COC(=O)N1CCN(C(=O)Cn1cc3ccccc3n1)C2 | 0.542948 |
CCn1ccnc1[C@@H]1CCCN(C(=O)COc2ccc(-n3cnnn3)cc2)C1 | C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)NCC(F)(F)F)nnc1-c1cccnc1 | 0.556757 |
Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)c2c(C)n[nH]c2C)nc1 | Cn1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2sccc21 | 0.509174 |
O=C(c1ccnc(F)c1)N1CC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 | O=C(NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1ccccc1 | 0.504762 |
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 | COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)c1 | 0.508772 |
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 | O=C1Nc2c3c(cc4c2C(=N[C@H]1Cc1ccccc1)CC4)CCC3 | 0.605514 |
CCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(OC)CC3)cc2)s1 | CC(=O)N1CCC(NC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)CC1 | 0.518519 |
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc1 | O=C1CSc2ccccc2N1CC(=O)N1CCCC[C@@H]1c1nccs1 | 0.735354 |
Cc1cc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)cc([N+](=O)[O-])c1C | CC#CC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 | 0.560428 |
CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O | COc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 | 0.531216 |
COc1ccccc1OC(=O)N[C@@H]1c2ccccc2O[C@H]2CCCC[C@@H]21 | COc1ccc(O)c(CN2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1 | 0.502938 |
COc1cc(/C=N/Nc2nnc(C)c(=O)[nH]2)cc(Br)c1OCc1ccccc1 | Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 | 0.528649 |
CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 | COC(=O)[C@@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 | 0.679671 |
Cn1cnc2c1c(=O)n(CC(=O)N1CCN(c3ncccn3)CC1)c(=O)n2C | COc1cccc(-c2nc(CN3CC[C@@H](O)[C@](CC4CC4)(C(=O)O)C3)c(C)o2)c1 | 0.632757 |
COC(=O)c1c(C)[nH]c(-c2cccc(OC)c2)c1[C@@H]1C(=O)Nc2ccc(C)cc21 | Cc1noc([C@@H]2CC[C@H](CN(Cc3nccs3)S(C)(=O)=O)O2)n1 | 0.687313 |
Cc1ccccc1CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1 | CCc1nnc(Cn2cnc3cc(Cl)ccc3c2=O)o1 | 0.525918 |
COc1ccc2c(C)c(CCC(=O)NCCCn3ccnc3)c(=O)oc2c1 | Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)c(Cl)c1 | 0.595767 |
CCCO[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 | CC1(C)CC(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)CC(C)(C)C1 | 0.57223 |
Cc1nc(NC(=O)C2CN(C(=O)C3CCCCC3)C2)sc1C(F)(F)F | O=c1[nH]n(C2CCOCC2)c2c1[C@@H](c1cccc(OC(F)F)c1)CC(O)=N2 | 0.55704 |
O=S(=O)(c1ccccc1Cl)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 | Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 | 0.566524 |
CCOc1ccc(NC(=O)C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1 | CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCC)ccc21 | 0.57287 |
O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2c(c1)OCCCO2 | Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCCc1ccccc1 | 0.538549 |
O=C(c1cscn1)N1CCN2C[C@H](OCC3CC3)C[C@H]2C1 | Cc1sc2nc(-c3cccnc3)nc(NCCCCn3c(C)cccc3=O)c2c1C | 0.535565 |
C[C@@H](C(=O)N=c1ccn(-c2ccc(C#N)cc2F)[nH]1)[C@H]1CCCO1 | COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3)n2)cc1 | 0.571882 |
COc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 | CCCCN1CC(=O)N2[C@@H](c3ccc(OC)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O | 0.846078 |
CCCCOCc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OCC | COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(C)cn1 | 0.534829 |
C[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1Cl | CCc1cccc2sc(NC(=O)CS(=O)(=O)CCC(F)(F)F)nc12 | 0.608025 |
COc1cc(OC)c([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCCN24)cc1OC | COCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(Cl)c1 | 0.695209 |
COc1ccc(C[C@]2(CCC(=O)NCc3nc(C)cs3)CCC(=O)N2)c2ccccc12 | NC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2c2ccsc2)c1 | 0.532948 |
O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)NC1CCS(=O)(=O)CC1 | CC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 | 0.536 |
CCOc1ccc(-n2c(-c3ccc4c(c3)OCO4)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 | CCOc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1 | 0.74026 |
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 | COc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)cs2)cc1OC | 0.698699 |
COC(=O)[C@@H](NC(=O)c1cn2cccnc2n1)c1cc(F)ccc1F | O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cn(Cc2ccccc2)nc1-c1ccccc1 | 0.640947 |
O=C(O)c1cc(S(=O)(=O)Nc2cc(F)ccc2-n2cccn2)ccc1F | O=C(Nc1ccncc1)N(CCCO)[C@H]1CCc2ccccc21 | 0.520925 |
CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1c[nH]c2ccccc12 | COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 | 0.607035 |
Cc1cc(F)cc2c1ncc1c(=O)n(C)[nH]c12 | COc1ccc([C@H](C)NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1 | 0.52 |
CC[C@@]1(C)CCCN(c2cc(=O)n(C)c(=O)n2C)C1 | COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)n2ccccc2nc1=O | 0.524838 |
Cc1csc(CCNc2cnn(-c3ccccc3)c(=O)c2Cl)n1 | O=C(c1ccc(N2C(=O)c3cnncc3C2=O)cc1)N1CCCCC1 | 0.504435 |
Cc1cccc(C(=O)N2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 | CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cc4ccccc4)cc3)cc2)s1 | 0.500531 |
Cn1ncc2c(C(=O)Nc3ccc(CC#N)cc3)cc(C3CC3)nc21 | CNC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(-c2ccc(=O)n(C)n2)c1 | 0.621849 |
Cc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccccc1Cl | C[C@H](NC(=O)N1CCC[C@@H]2C[C@@H]21)c1ccccc1N1CCOCC1 | 0.501337 |
O=C(c1cc(O)nc(-c2ccc(F)cc2)n1)N1CC[C@]2(COCc3cncnc32)C1 | O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1 | 0.535861 |
CO[C@@H]1CC[C@H]1N(C)C(=O)c1cc2cc(Br)cnc2n1C | CCOc1nc2sc3c(c2c(=O)n1CCN1CCN(C(=O)NC2CCCCC2)CC1)CCCC3 | 0.733734 |
CCN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)C1CC1 | Cc1ccc2c(CC(=O)N3CCCN(c4cccnn4)CC3)c[nH]c2c1 | 0.559633 |
CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccc(F)cc2)C1 | Cc1nc(Cn2c(C)nc3ccccc32)cc(N2CCN(C(=O)c3ccccc3)CC2)n1 | 0.637666 |
Cc1onc(-c2ccccc2)c1C(=O)N1CCc2nc(C3CC3)nn2CC1 | Cn1c(=O)ccn(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1=O | 0.543638 |
COc1ccc([C@H](O)[C@H]2CCCN2C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 | Cn1c(=O)[nH]c(=O)c2c1nc(NCC(=O)O)n2CCOc1ccccc1 | 0.577778 |
CCN1CCO[C@H]2CCN(C(=O)Cc3ccc(C)cc3)C[C@@H]21 | O=C1N[C@](c2cccnc2)(C2CCNCC2)C(=O)N1Cc1ccc(F)cc1 | 0.525974 |
C=CCON1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl | CN1CCN(CCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)CC1 | 0.603077 |
Cc1cc(C(=O)N2CC3(C[C@H](NC4CCCC4)CS3)C2)n(C)n1 | CCc1ccc(NC(=O)CSc2nc3c(C)nn(CC)c3c(=O)n2Cc2ccc(F)cc2)cc1 | 0.61264 |
CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 | Cc1c[nH]cc1C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 | 0.535714 |
COc1ccc(OC)c([C@H](C)NC(=S)NC[C@H]2CCCO2)c1 | COc1cccc(NC(=O)COc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)c1 | 0.509395 |
Cc1cccc(N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c1C | COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(F)c3)C1=O)OCO2 | 0.537634 |
Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 | CCOc1ccc([C@]2(C)NC(=O)N(Cc3nnc(-c4ccc(OC)cc4)o3)C2=O)cc1 | 0.665641 |
CS(C)(=O)=NC(=O)CN1C(=O)[C@@H]2CCCN2S1(=O)=O | C[C@@H]1C(=O)N(C)CCN1Cc1cc(O)c2cccc(F)c2n1 | 0.510783 |
CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Br)cc3)cc2oc1=O | C#CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1CC=C | 0.52614 |
C[C@@H]1CN(O)[C@@H]2CCc3c(no[n+]3[O-])[C@]12O | O=C1CC[C@H](c2ccc(-c3ccc4c(c3)[C@H](C(=O)O)CO4)cc2)N1 | 0.575975 |
O=C1C[C@H](c2ccccc2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 | CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 | 0.564744 |
COC(=O)[C@@]1(CO)N[C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 | CC(C)c1cc(CNC(=O)[C@@]2(C)CCCO2)on1 | 0.523061 |
CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2)CC1 | CCn1c(-c2cccs2)nn(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1=S | 0.523404 |
O=C(CN1CCCCCC1)N1CCc2[nH]nc(C3CC3)c2C1 | COc1cccc(-c2nc(-c3c[nH]nc3C)nn2-c2ccnn2C)c1OC | 0.558884 |
C[C@@H](NC(=O)c1cn(C)nc1-c1cccs1)C(=O)O | CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1Cl | 0.524807 |
CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 | CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(CN(C)C(=O)C3(c4ccccc4)CCCC3)cc2)C1 | 0.518059 |
COc1cc(CN2CCOC[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1ccnc1 | COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc3c(c2)OCCO3)c1 | 0.564516 |
N#Cc1cccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c1 | Cc1cc(C)n(-c2cncc(N[C@H]3CCc4nc(C)nn4C3)n2)n1 | 0.643002 |
COc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1OC | O=C1[C@@H]2C[C@@H](CN2C(=O)c2ccc3c(c2)OCO3)Oc2ccccc2N1Cc1ccccn1 | 0.5607 |
COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cccc(C)n4)C3)o2)c1 | COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)c3cccc(C(F)(F)F)c3)nc12 | 0.691434 |
O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCCO)C1=O)Nc1ccc([N+](=O)[O-])cc1 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 | 0.584281 |
COC(=O)c1ccccc1S(=O)(=O)/N=C(\O)[C@H](C)OC | COc1cc2nc(C)n(CC(=O)N[C@@H]3CCOc4ccccc43)c2cc1OC | 0.508161 |
CS(=O)(=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CCOc2ccc(F)cc21 | CCN1C(=O)CC[C@@H](C(=O)NCCOC)[C@@H]1c1ccccc1Cl | 0.563877 |
O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1n[nH]c2ccc(I)cc12 | CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)sc2c1CCC2 | 0.664959 |
CCOC(=O)C[C@H]1CCCCN1C(=O)Cc1c(C)noc1C | C[C@H](C(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2)n1cccc1 | 0.512789 |
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1 | O=C(NCCc1nnc2ccccn12)c1cc2c(s1)-c1ccccc1CC2 | 0.628125 |
Cc1nnc(NC(=O)[C@H]2COc3ccc(Cl)cc32)n1C1CC1 | Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 | 0.587117 |
CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2)C1=O | O=C(N1CCC[C@]2(CCN2c2ccc3nccnc3c2)C1)C1(F)CCC1 | 0.56202 |
O=C(O)c1ccc2c(c1)c([C@@H](C(=O)O)N1C[C@H]3C[C@@H](C1)c1cccc(=O)n1C3)cn2Cc1ccccc1 | Cc1ccccc1[C@H]1C[C@H](c2cccs2)Nc2ncnn21 | 0.789891 |
O=C(O)[C@H]1CCCN([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 | COc1ccc(N(C)C(=O)C2(n3cnnn3)CCOCC2)cn1 | 0.584052 |
Cn1nnc(-c2ccc(C(=O)N3[C@@H]4CCC[C@H]3C[C@@H](O)C4)cc2)n1 | CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1[N+](=O)[O-] | 0.538706 |
C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 | COc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Cl | 0.568522 |
CC[C@@H](C)c1ccccc1OCC(=O)N1CCC(c2nccn2CC)CC1 | COc1ccc(-c2nc3n(n2)[C@H](c2ccccc2OC)C2=C(CC(C)(C)CC2=O)N3)cc1 | 0.575818 |
CCS(=O)(=O)N1CCc2cc(C(=O)Nc3c(F)cccc3F)ccc21 | Cc1cc(C)n(CCC(=O)NC2CCN(c3nc(C)nc4c3CCCC4)CC2)n1 | 0.598964 |
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3nc(C)n[nH]3)C2)cc1Cl | O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1OC(F)F | 0.521689 |
Cc1nc2cc(C(=O)N3CCN[C@H](C)C3)ccc2n1[C@H]1CCS(=O)(=O)C1 | CC(C)c1n[nH]cc1C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cccc(N)c3N)CC[C@@H]2C1 | 0.596133 |
Cc1nc(-c2ccn(C)n2)sc1CC(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 | O=C1N[C@H](S(=O)(=O)c2ccccc2)[C@H](O)N1c1ccc(OC(F)(F)F)cc1 | 0.671764 |
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