clean_smiles stringlengths 18 103 | id stringlengths 14 14 | value float64 -72.94 187 ⌀ | scaffold stringlengths 0 100 |
|---|---|---|---|
CCc1nnc(N2CCC(Oc3cnccn3)CC2)n1CCC(C)(C)O | CP001515855515 | -26.7 | c1cnc(OC2CCN(c3nnc[nH]3)CC2)cn1 |
CC(C)c1nnc(N2CCC(Oc3cnccn3)CC2)n1CC(=O)N(C)C | CP001291746545 | -23.12 | c1cnc(OC2CCN(c3nnc[nH]3)CC2)cn1 |
CC(NC(=O)C1C=CC=CC=C1)C1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 | CP000359513394 | -33.01 | O=C(NCC1CCCN(C(=O)c2ccccc2)C1)C1C=CC=CC=C1 |
COc1cc(C(=O)N2CCCC(C(C)NC(=O)C3C=CC=CC=C3)C2)ccc1O | CP000359513873 | -29.27 | O=C(NCC1CCCN(C(=O)c2ccccc2)C1)C1C=CC=CC=C1 |
CCc1ccc(C(=O)N2CCCC(C(C)NC(=O)C3C=CC=CC=C3)C2)cc1N | CP000359513791 | -28.34 | O=C(NCC1CCCN(C(=O)c2ccccc2)C1)C1C=CC=CC=C1 |
CC1(C)CCN(C(=O)c2ccc(N)cc2)CC1CNC(=O)C1C=CC=CC=C1 | CP000820374375 | -27.02 | O=C(NCC1CCCN(C(=O)c2ccccc2)C1)C1C=CC=CC=C1 |
Cc1c(C#N)cccc1C(=O)N1CCCC(C)(CNC(=O)C2C=CC=CC=C2)C1 | CP000090632554 | -26.61 | O=C(NCC1CCCN(C(=O)c2ccccc2)C1)C1C=CC=CC=C1 |
COc1ccc(F)cc1C(=O)N1CCC(C)C(CNC(=O)C2C=CC=CC=C2)C1 | CP000081707907 | -21.84 | O=C(NCC1CCCN(C(=O)c2ccccc2)C1)C1C=CC=CC=C1 |
O=C(NC1CCc2ncccc2C1)c1nccs1 | CP000612880173 | -34.96 | O=C(NC1CCc2ncccc2C1)c1nccs1 |
Cc1nc(CC2CC2)oc1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C)n(C)c2)C1 | CP000647980190 | -22.5 | O=C(N[C@H]1C[C@@H](CNC(=O)c2cnc(CC3CC3)o2)C1)c1cc[nH]c1 |
Cc1cc(N2CCCC(NC(=O)c3cc4n(n3)CCO4)C2C)ncc1C#N | CP001355059480 | -24.36 | O=C(NC1CCCN(c2ccccn2)C1)c1cc2n(n1)CCO2 |
Cc1cc(N2CC(NC(=O)c3cc4n(n3)CCO4)CCC2C)nc(C)c1C#N | CP000421039744 | -22.93 | O=C(NC1CCCN(c2ccccn2)C1)c1cc2n(n1)CCO2 |
CC1CCC(CC(=O)N2C3CCC2c2cn[nH]c2C3)CC1 | CP002283427524 | -18.59 | O=C(CC1CCCCC1)N1C2CCC1c1cn[nH]c1C2 |
CCc1nc(C(=O)NC2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C2)co1 | CP002441075344 | -24.66 | O=C(NC1CN(C(=O)c2cc3c(=O)[nH]ccn3n2)C1)c1cocn1 |
CC1=CCC(C(=O)NCC2=CCN(C(=O)c3cnc4cc[nH]c4c3)CC2)CC1 | CP000936930943 | -35.48 | O=C(NCC1=CCN(C(=O)c2cnc3cc[nH]c3c2)CC1)C1CC=CCC1 |
C=CCCCCCN1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 | CP003477050456 | -55.3 | O=C(N[C@@H]1CCNC1)C1CNC1 |
CC(=O)N1CC(C(=O)N[C@@H]2CCN(C(=O)CCOC(C)C)C2)C1 | CP003358176505 | -30.19 | O=C(N[C@@H]1CCNC1)C1CNC1 |
CCC(=O)N1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 | CP002865534358 | -27.12 | O=C(N[C@@H]1CCNC1)C1CNC1 |
CC(=O)N1CC(C(=O)N[C@@H]2CCN(C(=O)CCC(=O)N(C)C(C)C)C2)C1 | CP002820885928 | -27.06 | O=C(N[C@@H]1CCNC1)C1CNC1 |
CCC(O)C(C)C(=O)N1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 | CP003358869973 | -24.08 | O=C(N[C@@H]1CCNC1)C1CNC1 |
CC(=O)OC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2CN(CC(F)(F)F)C2)C1 | CP002961365545 | -22.06 | O=C(N[C@@H]1CCNC1)C1CNC1 |
CSCC(C)C(=O)N1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 | CP003482318371 | -21.47 | O=C(N[C@@H]1CCNC1)C1CNC1 |
CCOC1CC1C(=O)NC1(CNC(=O)c2nccn3ccnc23)CCCCCC1 | CP000156643699 | -22.55 | O=C(NCC1(NC(=O)C2CC2)CCCCCC1)c1nccn2ccnc12 |
CON=C(C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)c1cocc1C)C2)c1ccco1 | CP000185386355 | -21.86 | N=C(C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)c1ccoc1)C2)c1ccco1 |
C=CCC1(NC(=O)c2cnc(C3CC3)s2)CCN(C(=O)c2cnc[nH]2)C1 | CP002597310769 | -28.98 | O=C(NC1CCN(C(=O)c2cnc[nH]2)C1)c1cnc(C2CC2)s1 |
Cc1ncc(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cn[nH]c2-c2ccn(C)n2)o1 | CP000370546795 | -24.07 | O=C(Cc1cnco1)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn[nH]c1-c1cc[nH]n1 |
CC(=Cc1ccncc1)C(=O)NCC1CC2CCC1N2c1cnc2ccccc2n1 | CP000000768398 | -29.8 | O=C(C=Cc1ccncc1)NCC1CC2CCC1N2c1cnc2ccccc2n1 |
Cn1nc(Br)c2c(NC(=O)C34CCC(C)(C3)OC4)cccc21 | CP001677923156 | -25.12 | O=C(Nc1cccc2[nH]ncc12)C12CCC(C1)OC2 |
Cc1cc(C(=O)N2CCCC(CN(C)C(=O)CC3(CO)CCC3)C2)sc1C | CP002241646171 | -30.33 | O=C(CC1CCC1)NCC1CCCN(C(=O)c2cccs2)C1 |
Cc1cc(Cl)c(C(=O)N2CCC(C)C(CNC(=O)CC3(O)CCC3)C2)s1 | CP002351081593 | -27.04 | O=C(CC1CCC1)NCC1CCCN(C(=O)c2cccs2)C1 |
Cc1csc(C(=O)N2CCCC(CNC(=O)CC3(O)CCC3)C2)c1 | CP003451932040 | -24.34 | O=C(CC1CCC1)NCC1CCCN(C(=O)c2cccs2)C1 |
COc1ccsc1C(=O)N1CCCC(C(C)NC(=O)C(F)C2CCC2)C1 | CP002974827243 | -21.08 | O=C(CC1CCC1)NCC1CCCN(C(=O)c2cccs2)C1 |
Cc1conc1C(=O)N1CCC(F)(CNC(=O)C2=C[S+]([O-])CCC2)CC1 | CP002600030666 | -25.89 | O=C(NCC1CCN(C(=O)c2ccon2)CC1)C1=C[SH+]CCC1 |
O=C(NCC1CCN(C(=O)c2ccon2)CC1)C1=C[S+]([O-])CCC1 | CP003150963510 | -23.91 | O=C(NCC1CCN(C(=O)c2ccon2)CC1)C1=C[SH+]CCC1 |
C=CCC1(NC(=O)CCOCc2ccccc2)CN(C(=O)Cn2ncnn2)C1 | CP000720154257 | -26.04 | O=C(CCOCc1ccccc1)NC1CN(C(=O)Cn2ncnn2)C1 |
Cc1nccn1CC(=O)NC1CCN(C(=O)C2(C)COC2)CCC1CO | CP002648999317 | -36.25 | O=C(Cn1ccnc1)NC1CCCN(C(=O)C2COC2)CC1 |
O=C(Cc1ccsc1)NC[C@H]1C[C@@H](NC(=O)c2nccc3ccccc23)C1 | CP001607175236 | -30.42 | O=C(Cc1ccsc1)NC[C@H]1C[C@@H](NC(=O)c2nccc3ccccc23)C1 |
O=C(NCC1CN(C(=O)CNc2ccc(O)cc2)C1)c1ccc2nc(O)cn2c1 | CP000369973366 | -32.25 | O=C(NCC1CN(C(=O)CNc2ccccc2)C1)c1ccc2nccn2c1 |
CC1(C)NC(=O)N(CCNC2CCNC(=O)CC2)C1=O | CP002495342511 | -29.91 | O=C1CCC(NCCN2C(=O)CNC2=O)CCN1 |
Cc1nc(C(=O)NCC2CC(NC(=O)[C@@H](C)NC(=O)Cn3cnnn3)C2)n[nH]1 | CP000891577623 | -24.75 | O=C(Cn1cnnn1)NCC(=O)NC1CC(CNC(=O)c2nc[nH]n2)C1 |
Cc1cc(C(=O)N2CCC2CNC(=O)C(C)OC2COC2)on1 | CP001412141566 | -25.4 | O=C(COC1COC1)NCC1CCN1C(=O)c1ccno1 |
NC(=O)C1(C(=O)N2CCC(c3nnc4n3CCN(c3ccncn3)C4)CC2)CC1 | CP000238427775 | -26.55 | O=C(C1CC1)N1CCC(c2nnc3n2CCN(c2ccncn2)C3)CC1 |
CC1CC(NC(=O)c2ccc3c(c2)NC(=O)C3)CCN1C(=O)C1CC1F | CP002715242448 | -28.23 | O=C1Cc2ccc(C(=O)NC3CCN(C(=O)C4CC4)CC3)cc2N1 |
Cc1cnn(C)c1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(C)ccc1C | CP000185388299 | -24.29 | O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cccc1)c1ccn[nH]1 |
CCN(CCCNC(=O)c1cnc2ccnn2c1O)C(=O)C1(C2CCC2)CC1 | CP001023006097 | -24.54 | O=C(NCCCNC(=O)C1(C2CCC2)CC1)c1cnc2ccnn2c1 |
CCn1nc(C2CC2)cc1C(=O)N[C@H]1CCN(C(=O)Cn2cc(C)cn2)C1 | CP002261510482 | -26.3 | O=C(N[C@H]1CCN(C(=O)Cn2cccn2)C1)c1cc(C2CC2)n[nH]1 |
Cc1ccccc1C(C)CC(=O)N1C[C@@H]2CN(c3cc(=O)n(C)c(=O)[nH]3)C[C@@H]2C1 | CP000303493404 | -25.91 | O=C(CCc1ccccc1)N1C[C@@H]2CN(c3cc(=O)[nH]c(=O)[nH]3)C[C@@H]2C1 |
O=C(CCc1ccc(CO)cc1)N1C[C@@H]2CN(c3cc(=O)[nH]c(=O)[nH]3)C[C@@H]2C1 | CP000471047507 | -23.54 | O=C(CCc1ccccc1)N1C[C@@H]2CN(c3cc(=O)[nH]c(=O)[nH]3)C[C@@H]2C1 |
CC(C(=O)NC1CCC(NC(=O)c2cn(C)cn2)CC1)C1CC1 | CP003366158392 | -22.63 | O=C(CC1CC1)NC1CCC(NC(=O)c2c[nH]cn2)CC1 |
COC(C)(C(=O)N(C)C1CCC(NC(=O)c2c[nH]c(C)n2)CC1)C1CC1 | CP002668271942 | -18.89 | O=C(CC1CC1)NC1CCC(NC(=O)c2c[nH]cn2)CC1 |
CCc1nc(C(=O)NC2CCC(N(C)C(=O)CC3CC3(C)C)CC2)c[nH]1 | CP002668440526 | null | O=C(CC1CC1)NC1CCC(NC(=O)c2c[nH]cn2)CC1 |
CC(CCNC(=O)C1CCCc2[nH]ncc21)N(C)C(=O)CN1CC2CC2C1 | CP001723550557 | -43.83 | O=C(CN1CC2CC2C1)NCCCNC(=O)C1CCCc2[nH]ncc21 |
CC(C)C1(C)CC1C(=O)NCC1CCCN1C(=O)CC1CCn2cncc2C1 | CP001065290090 | -43.05 | O=C(NCC1CCCN1C(=O)CC1CCn2cncc2C1)C1CC1 |
CC1(C)CC(CNC(=O)C2CC2F)N(C(=O)CC2CCn3cncc3C2)C1 | CP001754386877 | -42.54 | O=C(NCC1CCCN1C(=O)CC1CCn2cncc2C1)C1CC1 |
C[C@H]1CN(C(=O)C2=CCCC2)C[C@H]1NC(=O)C1(C)CCNC1=O | CP003509418093 | -19.72 | O=C1NCCC1C(=O)N[C@H]1CCN(C(=O)C2=CCCC2)C1 |
COCC1(C(=O)N2CC[C@@H](NC(=O)C(O)C3CCC3)C2)CC=CCC1 | CP003264194420 | -23.51 | O=C(CC1CCC1)N[C@@H]1CCN(C(=O)C2CC=CCC2)C1 |
CC(=O)[C@@H]1C[C@H](CC(=O)N[C@@H]2CCN(C(=O)C3CC=C(C)CC3)C2)C1(C)C | CP002336278960 | -19.98 | O=C(CC1CCC1)N[C@@H]1CCN(C(=O)C2CC=CCC2)C1 |
COCCOc1ccc(C(=O)NC2CCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1 | CP000365775368 | -33.12 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
CC1CC(NC(=O)c2ccc(Cl)c(O)c2)CN1C(=O)c1n[nH]c2c1CCC2 | CP001848514589 | -29.82 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
COc1ccccc1C(=O)NC1CC(C)N(C(=O)c2n[nH]c3c2CCC3)C1 | CP001848513889 | -29.52 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
CC1CC(NC(=O)c2ccc(CF)cc2)CN1C(=O)c1n[nH]c2c1CCC2 | CP001848513967 | -28.79 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
CC1(C)C(NC(=O)c2cc(F)ccc2F)CCN1C(=O)c1n[nH]c2c1CCC2 | CP000680007622 | -28.76 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
CCSc1ccccc1C(=O)NC1CN(C(=O)c2n[nH]c3c2CCC3)CC1C | CP000963253996 | -28.55 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
Cc1ccc(O)cc1C(=O)NC1CN(C(=O)c2n[nH]c3c2CCC3)CC1C | CP001876325895 | -28.12 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
COc1ccc(C)c(C(=O)N(C)C2CCN(C(=O)c3n[nH]c4c3CCC4)C2)c1N | CP000356237625 | -27.99 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
CC(O)c1ccccc1C(=O)N(C)C1CCN(C(=O)c2n[nH]c3c2CCC3)C1 | CP001197458150 | -26.57 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
N#Cc1cc(C(=O)NC2CCN(C(=O)c3n[nH]c4c3CCC4)C2)ccc1F | CP002313369262 | -26.16 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
CC1CC(NC(=O)c2ccc(N)cc2O)CN1C(=O)c1n[nH]c2c1CCC2 | CP001848514885 | -25.73 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
COc1ccc(OC)c(C(=O)NC2CCN(C(=O)c3n[nH]c4c3CCC4)C2)c1 | CP001241499205 | -25.71 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
CCc1ccc(C(=O)N(C)C2CCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1CC | CP000356237301 | -25.66 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
CN(C(=O)c1cc(F)c(F)cc1N)C1CCN(C(=O)c2n[nH]c3c2CCC3)C1 | CP001197457655 | -24.85 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
Cc1ccc(O)c(C(=O)N(C)C2CCN(C(=O)c3n[nH]c4c3CCC4)C2)c1 | CP002339510829 | -24.72 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
COc1cc(C(=O)NC2(C)CCN(C(=O)c3n[nH]c4c3CCC4)C2)ccc1C | CP000699294526 | -21.06 | O=C(NC1CCN(C(=O)c2n[nH]c3c2CCC3)C1)c1ccccc1 |
CCc1cc(C(=O)N2CCOC3(CCN(c4cncc(C#N)n4)C3)C2)c(C)nn1 | CP000285373920 | -24.9 | O=C(c1ccnnc1)N1CCOC2(CCN(c3cnccn3)C2)C1 |
C[C@H]1CC[C@H](C(=O)NCC=C2CCN(C(=O)c3cnn(CC4CC4)c3)CC2)CC1 | CP000074053153 | -35.57 | O=C(NCC=C1CCN(C(=O)c2cnn(CC3CC3)c2)CC1)C1CCCCC1 |
CC1CCC(C(=O)NCC=C2CCN(C(=O)c3cnn(CC4CC4)c3)CC2)CC1 | CP000074402500 | -23.65 | O=C(NCC=C1CCN(C(=O)c2cnn(CC3CC3)c2)CC1)C1CCCCC1 |
Cn1nc(NC(=O)NCC(O)C2CCC2)cc1C1CCOCC1 | CP001552563776 | -28.66 | O=C(NCCC1CCC1)Nc1cc(C2CCOCC2)[nH]n1 |
COC(=O)c1nccnc1N1CCC2(CC1)CN(C(=O)c1ccon1)CCO2 | CP000413117415 | -23.74 | O=C(c1ccon1)N1CCOC2(CCN(c3cnccn3)CC2)C1 |
COc1ccnc(C(=O)N2C3CCC2CC(N(C)C(=O)c2cc(C#N)c[nH]2)C3)c1 | CP000172385450 | -30.45 | O=C(NC1CC2CCC(C1)N2C(=O)c1ccccn1)c1ccc[nH]1 |
CC1C(NC(=O)c2cccn2C)CC2CCC1N2C(=O)c1ccc(O)cn1 | CP002137356105 | -28.31 | O=C(NC1CC2CCC(C1)N2C(=O)c1ccccn1)c1ccc[nH]1 |
CC1C(NC(=O)c2ccc(C(N)=O)[nH]2)CC2CCC1N2C(=O)c1cc(O)ccn1 | CP000145556638 | -23.9 | O=C(NC1CC2CCC(C1)N2C(=O)c1ccccn1)c1ccc[nH]1 |
CCc1cccnc1C(=O)N1C2CCC1C(C)C(NC(=O)c1cc(C)c(C)[nH]1)C2 | CP000145757131 | -23.87 | O=C(NC1CC2CCC(C1)N2C(=O)c1ccccn1)c1ccc[nH]1 |
CC1C(NC(=O)c2cc(C#N)c[nH]2)CC2CCC1N2C(=O)c1ncccc1F | CP001009122831 | -22.54 | O=C(NC1CC2CCC(C1)N2C(=O)c1ccccn1)c1ccc[nH]1 |
C=CCC1(NC(=O)c2ccc(C)[nH]2)CC2CCC(C1)N2C(=O)c1ccc(O)cn1 | CP000017924283 | null | O=C(NC1CC2CCC(C1)N2C(=O)c1ccccn1)c1ccc[nH]1 |
CC(NC(=O)c1ccc2ncc(Br)cc2c1)C(=O)NC1CC1 | CP001674332122 | -28.84 | O=C(CNC(=O)c1ccc2ncccc2c1)NC1CC1 |
CN(CC(=O)NC1CCCN(C(=O)c2ncccc2Cl)CC1)C(=O)C1CC1 | CP001166590926 | -26.29 | O=C(CNC(=O)C1CC1)NC1CCCN(C(=O)c2ccccn2)CC1 |
COc1cccnc1C(=O)N1CCCC(NC(=O)CNC(=O)C2CC2)CC1 | CP001166598605 | -23.35 | O=C(CNC(=O)C1CC1)NC1CCCN(C(=O)c2ccccn2)CC1 |
Nc1cc(C(=O)N2C[C@@H]3[C@H](C2)[C@H]3NC(=O)c2cc(C3CCCC3)n[nH]2)ccc1F | CP000361718869 | -35.75 | O=C(N[C@H]1[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]21)c1cc(C2CCCC2)n[nH]1 |
C=CCn1cc(C(=O)NC[C@@H](C)NC(=O)CNC(=O)N2CCCC2)cn1 | CP002763513626 | -30.28 | O=C(CNC(=O)N1CCCC1)NCCNC(=O)c1cn[nH]c1 |
CC(C)c1c(C(=O)NC[C@@H](C)NC(=O)CNC(=O)N2CCCC2)cnn1C | CP002156571709 | -28.46 | O=C(CNC(=O)N1CCCC1)NCCNC(=O)c1cn[nH]c1 |
CCCn1nc(C)c(C(=O)NC[C@H](C)NC(=O)CNC(=O)N2CCCC2)c1C | CP001203641622 | -28.43 | O=C(CNC(=O)N1CCCC1)NCCNC(=O)c1cn[nH]c1 |
CCCn1cc(C(=O)N(C)CC(C)NC(=O)CNC(=O)N2CCCC2)c(C)n1 | CP001206912666 | -27.41 | O=C(CNC(=O)N1CCCC1)NCCNC(=O)c1cn[nH]c1 |
C[C@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)c1cnn(CC(F)F)c1 | CP002154952381 | -25.76 | O=C(CNC(=O)N1CCCC1)NCCNC(=O)c1cn[nH]c1 |
O=C(CNC(=O)N1CCCC1)NCCNC(=O)c1cnn(CC(F)(F)F)c1 | CP002328247794 | -25.33 | O=C(CNC(=O)N1CCCC1)NCCNC(=O)c1cn[nH]c1 |
CCCCC(CNC(=O)c1c[nH]nc1N)NC(=O)CNC(=O)N1CCCC1 | CP001986779298 | -23.13 | O=C(CNC(=O)N1CCCC1)NCCNC(=O)c1cn[nH]c1 |
CCN(CCNC(=O)c1cn[nH]c1)C(=O)CNC(=O)N1CCCC1 | CP003462503443 | -22.71 | O=C(CNC(=O)N1CCCC1)NCCNC(=O)c1cn[nH]c1 |
CCN(CCNC(=O)CNC(=O)N1CCCC1)C(=O)c1cn(C)nc1C(C)C | CP001062288672 | -20.53 | O=C(CNC(=O)N1CCCC1)NCCNC(=O)c1cn[nH]c1 |
C=CCn1cc(C(=O)N(C)CC(C)NC(=O)CNC(=O)N2CCCC2)cn1 | CP002193044932 | null | O=C(CNC(=O)N1CCCC1)NCCNC(=O)c1cn[nH]c1 |
CCC(CNC(=O)c1cn(CC)nc1C1CC1)NC(=O)C1CCC(=O)CC1C | CP000971228273 | -20.23 | O=C1CCC(C(=O)NCCNC(=O)c2c[nH]nc2C2CC2)CC1 |
COCCN(CCNC(=O)c1c[nH]nc1C1CC1)C(=O)C1CCC(=O)CC1C | CP000579486282 | -19.92 | O=C1CCC(C(=O)NCCNC(=O)c2c[nH]nc2C2CC2)CC1 |
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