clean_smiles stringlengths 18 103 | id stringlengths 14 14 | value float64 -72.94 187 ⌀ | scaffold stringlengths 0 100 |
|---|---|---|---|
CN(CC1(O)CCCC1)c1nnnn1CCNC(=O)CCCc1ccccc1 | CP000625192540 | -24.41 | O=C(CCCc1ccccc1)NCCn1nnnc1NCC1CCCC1 |
CC(C(=O)NC(CNC(=O)CCOC1CC1)C(C)(C)C)=C1CCC1 | CP003377015892 | -25.66 | O=C(C=C1CCC1)NCCNC(=O)CCOC1CC1 |
CCN1CCC1C(=O)NC[C@H]1CCCN(C(=O)C2CCCc3cccnc32)C1 | CP000840836367 | -52.36 | O=C(NC[C@H]1CCCN(C(=O)C2CCCc3cccnc32)C1)C1CCN1 |
CC1(C)CC(C(=O)N2CC(Nc3ccc4nccnc4n3)C2)CCO1 | CP002454474670 | -26.37 | O=C(C1CCOCC1)N1CC(Nc2ccc3nccnc3n2)C1 |
CN1CCC[C@H]1C(=O)N1CCC[C@@H]1CCNC(=O)CCn1ccccc1=O | CP001942192842 | -34.7 | O=C(CCn1ccccc1=O)NCC[C@H]1CCCN1C(=O)[C@@H]1CCCN1 |
CC1CCN(C(=O)CN2CC3CCC2C3)CC1CNC(=O)C12CCC(C1)OC2 | CP000629315265 | -29.64 | O=C(CN1CC2CCC1C2)N1CCCC(CNC(=O)C23CCC(C2)OC3)C1 |
COCC(=O)N1CCC2(CC(NC(=O)CCC3CCC(=O)NC3)C2)C1 | CP003124345178 | -12.46 | O=C1CCC(CCC(=O)NC2CC3(CCNC3)C2)CN1 |
Cn1cc(C(=O)NC2CCC(NC(=O)C[C@H]3CCCC[C@@H]3O)CC2)n(C)c1=O | CP001235214374 | -19.86 | O=C(CC1CCCCC1)NC1CCC(NC(=O)c2c[nH]c(=O)[nH]2)CC1 |
O=C(NC1CC2CN(C(=O)c3ccc4[nH]ccc4c3)CC21)C(F)C1(O)CCCC1 | CP000205174858 | -28.79 | O=C(CC1CCCC1)NC1CC2CN(C(=O)c3ccc4[nH]ccc4c3)CC21 |
O=C(CC(=O)NC1CN(C(=O)CC2(O)CCCCC2)CC2(CC2)C1)NC1CC1 | CP000739818143 | -17.6 | O=C(CC(=O)NC1CN(C(=O)CC2CCCCC2)CC2(CC2)C1)NC1CC1 |
COCc1ccoc1C(=O)N1CCCCC1CCNC(=O)CN1CCCCC1 | CP000686378392 | -46.72 | O=C(CN1CCCCC1)NCCC1CCCCN1C(=O)c1ccco1 |
CC(C)C(C(=O)NCCC1CCCCN1C(=O)c1ccco1)N1CCCCC1 | CP000685351375 | -30.07 | O=C(CN1CCCCC1)NCCC1CCCCN1C(=O)c1ccco1 |
CC(C(=O)N[C@H]1C[C@H](NC(=O)Cn2ncc(=O)[nH]c2=O)C1)N1CCOCC1 | CP002245500319 | -19.95 | O=C(CN1CCOCC1)N[C@H]1C[C@H](NC(=O)Cn2ncc(=O)[nH]c2=O)C1 |
Cc1oncc1C(=O)N1CC2CC(C1)N(C(=O)c1ccc(C(F)(F)F)s1)C2 | CP001694382552 | -23.59 | O=C(c1cnoc1)N1CC2CC(C1)N(C(=O)c1cccs1)C2 |
CCc1oncc1C(=O)N1CC2CC(C1)N(C(=O)c1sccc1F)C2 | CP003036500612 | -20.53 | O=C(c1cnoc1)N1CC2CC(C1)N(C(=O)c1cccs1)C2 |
Cc1c[nH]cc1C(=O)N1CC(O)(CCNC(=O)C=Cc2cn(C)cn2)C1 | CP002787450517 | -29.13 | O=C(C=Cc1c[nH]cn1)NCCC1CN(C(=O)c2cc[nH]c2)C1 |
CN1CCCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)c2cccc3cccnc23)C1 | CP000119219160 | -42.09 | O=C(NC[C@@H]1CCCN1C(=O)c1cccc2cccnc12)C1CCCNC1 |
CCn1cc(Cl)c(NS(=O)(=O)c2cnc3n2CCCC3)n1 | CP002278470575 | -24.99 | O=S(=O)(Nc1cc[nH]n1)c1cnc2n1CCCC2 |
CCNc1nc(C(=O)NC2CCCN(C(=O)c3cccc4[nH]ncc34)C2)cs1 | CP001010219415 | -26.23 | O=C(NC1CCCN(C(=O)c2cccc3[nH]ncc23)C1)c1cscn1 |
Cc1ccnc(NCC2CN(C(=O)C(C)(C)C3(O)CCOC3)CCCO2)n1 | CP001359687271 | null | O=C(CC1CCOC1)N1CCCOC(CNc2ncccn2)C1 |
CCc1nonc1C(=O)NCC1COCCN(C(=O)C2(OC)CCCC2)C1 | CP001864169352 | -20.43 | O=C(NCC1COCCN(C(=O)C2CCCC2)C1)c1cnon1 |
Cc1nc(C=CC(=O)N2CCC[C@@H](NC(=O)c3ccc(N)nc3)C2)[nH]c1C | CP001874652321 | -46.35 | O=C(N[C@@H]1CCCN(C(=O)C=Cc2ncc[nH]2)C1)c1cccnc1 |
CC(=O)N1CCC(=CCNC(=O)C2CCC3C(C2)C3(F)F)CC1 | CP003514481837 | -30.91 | O=C(NCC=C1CCNCC1)C1CCC2CC2C1 |
Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)C3CCCC3(C)C)C2)cc1 | CP003005256682 | -34.94 | O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCC1 |
CN(C)C1(C(=O)NC[C@H]2CCN(C(=O)Cc3cccc(F)c3O)C2)CCCC1 | CP001103050959 | -32.77 | O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCC1 |
O=C(Cc1cccc(F)c1O)N1CC[C@H](CNC(=O)C2(O)CCCC2)C1 | CP003005849349 | -32.31 | O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCC1 |
O=C(Cc1ccc(Cl)c(F)c1)N1CC[C@H](CNC(=O)C2(F)CCCC2)C1 | CP003005140197 | -30.77 | O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCC1 |
CC(F)(C(=O)N1CC[C@H](CNC(=O)C2CCC(F)C2)C1)c1ccc(F)cc1 | CP002445267402 | -30.04 | O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCC1 |
COC1(C(=O)NC[C@H]2CCN(C(=O)C(C)(O)c3ccc(F)cc3)C2)CCCC1 | CP001103456592 | -27.7 | O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCC1 |
CCC1CCCC1C(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2C)C1 | CP003005338411 | -23.84 | O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCC1 |
COC1(C(=O)NC[C@H]2CCN(C(=O)Cc3ccc(C(N)=O)cc3)C2)CCCC1 | CP001103456039 | -23.01 | O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCC1 |
CC(C)(C(=O)N1CC[C@H](CNC(=O)C2CCCC2(C)C)C1)c1cccc(O)c1 | CP001102565498 | -22.86 | O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCC1 |
COC1CCCC1C(=O)NC[C@H]1CCN(C(=O)C(C)c2cccc(C)c2)C1 | CP002445043984 | -22.73 | O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCC1 |
CCC1(C(=O)NC[C@H]2CCN(C(=O)C(C)(C)c3ccccc3)C2)CCCC1 | CP002444779983 | -22.52 | O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCC1 |
CC1CCC(C)(C(=O)NC[C@H]2CCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)C1 | CP001103180837 | -21.66 | O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCC1 |
CC1(C)CCC(C(=O)N2C3CCC2C(CNC(=O)C=CC2CCC2)C3)CO1 | CP001707239185 | -20.76 | O=C(C=CC1CCC1)NCC1CC2CCC1N2C(=O)C1CCCOC1 |
CC(CN(C)c1cc(=O)n(C)c(=O)[nH]1)NC(=O)c1ncc(F)cc1F | CP002397022448 | -35.66 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
Cn1c(NCCNC(=O)c2cc(O)ccn2)cc(=O)[nH]c1=O | CP003468257857 | -34.44 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CC(CN(C)c1cc(=O)n(C)c(=O)n1C)NC(=O)c1cc(C(C)(C)C)ccn1 | CP000465973934 | -33.91 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
Cc1cc(Cl)nc(C(=O)NCC(C)Nc2cc(=O)n(C)c(=O)n2C)c1 | CP002386940767 | -32.78 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
C[C@H](CNC(=O)c1ccc(F)cn1)Nc1cc(=O)n(C)c(=O)n1C | CP002930516619 | -32.35 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
C[C@H](CNC(=O)c1cc(C(C)(C)C)ccn1)Nc1cc(=O)n(C)c(=O)[nH]1 | CP002226848730 | -31.88 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
COc1cccc(C(=O)N(C)CC(C)(C)Nc2cc(=O)[nH]c(=O)[nH]2)n1 | CP002459977177 | -31.13 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
Cc1cccc(C(=O)NCCNc2cc(=O)[nH]c(=O)[nH]2)n1 | CP002555882221 | -30.76 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CC(CNC(=O)c1cc(O)cc(Cl)n1)N(C)c1cc(=O)n(C)c(=O)n1C | CP001920157106 | -30.76 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
C[C@H](CNc1cc(=O)n(C)c(=O)[nH]1)NC(=O)c1ncccc1C(C)(C)C | CP002059206735 | -30.45 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CC(CNc1cc(=O)n(C)c(=O)[nH]1)N(C)C(=O)c1ccc(C(F)F)cn1 | CP002056003598 | -29.68 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCC(CNC(=O)c1cc(C(N)=O)ccn1)Nc1cc(=O)n(C)c(=O)n1C | CP001480222950 | -28.3 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
Cc1cc(Cl)nc(C(=O)NC(C)(C)CNc2cc(=O)n(C)c(=O)[nH]2)c1 | CP002453115241 | -28.09 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCN(CCNC(=O)c1ccc(Cl)cn1)c1[nH]c(=O)n(C)c(=O)c1C#N | CP002047339389 | -27.93 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCC(CNC(=O)c1nccc(OC)c1F)Nc1cc(=O)n(C)c(=O)n1C | CP001480441610 | -27.84 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
COc1ccc(C(=O)NC[C@@H](C)Nc2cc(=O)[nH]c(=O)[nH]2)nc1Cl | CP002930673426 | -27.78 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CC(CNc1c(C#N)c(=O)n(C)c(=O)n1C)N(C)C(=O)c1ccc(C(N)=O)cn1 | CP000337643131 | -27.58 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
COCCN(CCNC(=O)c1ccc(C(N)=O)cn1)c1cc(=O)[nH]c(=O)[nH]1 | CP001356482185 | -27.09 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CN(CCNc1cc(=O)n(C)c(=O)n1C)C(=O)c1ncccc1Cl | CP002382399357 | -26.64 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CC(=O)Nc1cccnc1C(=O)N(C)C(C)CNc1cc(=O)n(C)c(=O)n1C | CP000462233637 | -26.43 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCCN(CCNC(=O)c1ccc(C)c(F)n1)c1cc(=O)[nH]c(=O)[nH]1 | CP002389050580 | -25.94 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
Cc1cc(C(=O)N[C@@H](C)CNc2cc(=O)[nH]c(=O)[nH]2)ncc1C(F)F | CP002396907502 | -25.92 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCC(CC)(CNc1cc(=O)[nH]c(=O)n1C)NC(=O)c1cc(OC)ccn1 | CP001407111473 | -25.86 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCCN(CCNC(=O)c1ccc(C(F)(F)F)cn1)c1cc(=O)n(C)c(=O)[nH]1 | CP000505717272 | -25.67 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCc1cccnc1C(=O)N[C@H](C)CNc1[nH]c(=O)n(C)c(=O)c1C#N | CP002059001438 | -25.64 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
C[C@@H](CNc1cc(=O)[nH]c(=O)[nH]1)NC(=O)c1ncccc1OC(F)F | CP002396775831 | -25.21 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCc1cccnc1C(=O)N(C)CC(C)Nc1cc(=O)n(C(C)C)c(=O)[nH]1 | CP001354251089 | -24.94 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCC(CNC(=O)c1cccc(OC)n1)Nc1cc(=O)[nH]c(=O)[nH]1 | CP002384215494 | -24.89 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CC(C)Oc1cccc(C(=O)NC[C@@H](C)Nc2cc(=O)[nH]c(=O)n2C)n1 | CP002226594972 | -24.83 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
O=C(NC[C@H](CO)Nc1cc(=O)[nH]c(=O)[nH]1)c1cc(O)cc(O)n1 | CP002928888408 | -23.91 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCN(CCNC(=O)c1ncccc1CSC)c1cc(=O)[nH]c(=O)n1C | CP002047503645 | -23.49 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CC(CN(C)C(=O)c1cc(O)cc(O)n1)Nc1cc(=O)[nH]c(=O)[nH]1 | CP002921212989 | -23.29 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
Cc1cccnc1C(=O)NC(CNc1c(C#N)c(=O)n(C)c(=O)n1C)C(C)(C)C | CP000237164600 | -23.28 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
Cc1ccc(C)c(C(=O)N(C)CCN(C)c2cc(=O)n(C)c(=O)n2C)n1 | CP002057375629 | -23.19 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CNC(=O)c1cccc(C(=O)N[C@@H](C)CNc2cc(=O)n(C(C)C)c(=O)[nH]2)n1 | CP000465504804 | -22.7 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CC(CNC(=O)c1cccc(C(N)=O)n1)N(C)c1cc(=O)n(C(C)C)c(=O)[nH]1 | CP000414553190 | -22.48 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CNC(=O)c1cccc(C(=O)N(C)C(C)CNc2cc(=O)n(C)c(=O)[nH]2)n1 | CP001483464129 | -22.23 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CC(CN(C)c1cc(=O)n(C(C)C)c(=O)[nH]1)NC(=O)c1cc(O)cc(Cl)n1 | CP001431675785 | -22.14 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CC(CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1cc(=O)n(C(C)C)c(=O)[nH]1 | CP000418075324 | -22 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCC(CNC(=O)c1cc(O)cc(Cl)n1)Nc1cc(=O)[nH]c(=O)n1C | CP002392408365 | -21.93 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
Cc1cc(C(=O)NC(C)CN(C)c2cc(=O)n(C)c(=O)n2C)ncc1C(N)=O | CP000465836970 | -21.69 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
COCCN(CCNC(=O)c1cc(O)cc(O)n1)c1cc(=O)[nH]c(=O)n1C | CP001356589508 | -21.67 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
COCCN(CCNC(=O)c1ccc(F)cn1)c1cc(=O)[nH]c(=O)n1C | CP001924870578 | -21.38 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCN(CCNc1cc(=O)[nH]c(=O)n1C)C(=O)c1ncccc1OC | CP002395921827 | -20.94 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCCCC(CNc1cc(=O)n(C)c(=O)[nH]1)NC(=O)c1cc(O)ccn1 | CP001920658220 | -20.74 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CCN(CCNC(=O)c1ccc(C(N)=O)cn1)c1cc(=O)[nH]c(=O)n1C | CP002047328494 | -20.63 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
CN(CCN(C)c1cc(=O)n(C)c(=O)n1C)C(=O)c1cccc(C(C)(F)F)n1 | CP000463896729 | -18.53 | O=C(NCCNc1cc(=O)[nH]c(=O)[nH]1)c1ccccn1 |
Cc1c(CNC(=O)CC2CCC(=O)C2C)oc2ccccc12 | CP001677686028 | -28.95 | O=C1CCC(CC(=O)NCc2cc3ccccc3o2)C1 |
CC1(C2CC2)CN(C(=O)CSC2CC2)CCO1 | CP000032980538 | -20.36 | O=C(CSC1CC1)N1CCOC(C2CC2)C1 |
Cc1cn2nc(NC[C@H]3C[C@@H](NC(=O)c4cc(C(F)(F)F)n[nH]4)C3)sc2n1 | CP001456048740 | -37.27 | O=C(N[C@H]1C[C@@H](CNc2nn3ccnc3s2)C1)c1ccn[nH]1 |
CCCc1cc(C(=O)N[C@H]2C[C@@H](CNc3nn4cc(C)nc4s3)C2)n(C)n1 | CP001456186499 | -28.5 | O=C(N[C@H]1C[C@@H](CNc2nn3ccnc3s2)C1)c1ccn[nH]1 |
CN1CCC(C(=O)N2CCC3(CCCN(C(=O)c4cc5occc5[nH]4)C3)C2)C1=O | CP000251540317 | -19.9 | O=C1NCCC1C(=O)N1CCC2(CCCN(C(=O)c3cc4occc4[nH]3)C2)C1 |
CC(CNC(=O)C12CC3CC(CC(C)(C3)C1)C2)N(C)C(=O)C1Cc2ccccc21 | CP000232346897 | -27.4 | O=C(NCCNC(=O)C12CC3CC(CC(C3)C1)C2)C1Cc2ccccc21 |
CC(C(=O)N1CCC(O)(C(C)NC(=O)c2cnc3nccn3c2)C1)n1ccnc1 | CP000010299970 | -47.05 | O=C(NCC1CCN(C(=O)Cn2ccnc2)C1)c1cnc2nccn2c1 |
CC(C)c1nc(C(=O)NCC2CCN2C(=O)C(F)C2=CCCCC2)cs1 | CP002994395294 | -21.32 | O=C(NCC1CCN1C(=O)CC1=CCCCC1)c1cscn1 |
CCCc1cc(C(=O)N[C@H]2CCN(C(=O)C#CC3CCCOC3)C2)sc1C | CP002260581629 | -27.81 | O=C(N[C@H]1CCN(C(=O)C#CC2CCCOC2)C1)c1cccs1 |
CC1(Nc2nccnc2F)CC(NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 | CP001459559151 | -30.81 | O=C(NC1CC(Nc2cnccn2)C1)c1ccc(-c2ccccc2)[nH]1 |
CCc1cc(C(=O)NCC2CN(C(=O)C3CCN(OC)CC3)CCCO2)on1 | CP000632408632 | -27.99 | O=C(NCC1CN(C(=O)C2CCNCC2)CCCO1)c1ccno1 |
Cc1cc(C(=O)NCC2CN(C(=O)C3CCN(C(N)=O)CC3)CCCO2)on1 | CP000631458023 | -23.34 | O=C(NCC1CN(C(=O)C2CCNCC2)CCCO1)c1ccno1 |
O=C(C1=CCC1)N1CCC(CNC(=O)C2(O)CCCC2)C1 | CP002564715301 | -34 | O=C(NCC1CCN(C(=O)C2=CCC2)C1)C1CCCC1 |
CC1CCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(C)(C)C3)C2)C1 | CP003010510525 | -33.26 | O=C(NCC1CCN(C(=O)C2=CCC2)C1)C1CCCC1 |
CC1CCC(C(=O)NCC2CC(C)N(C(=O)C3=CCC3)C2)C1 | CP003185135628 | -30.67 | O=C(NCC1CCN(C(=O)C2=CCC2)C1)C1CCCC1 |
O=C(C1=C(Cl)CC1)N1CCC(CNC(=O)C2(O)CCCC2)C1 | CP003487591288 | -26.06 | O=C(NCC1CCN(C(=O)C2=CCC2)C1)C1CCCC1 |
CS(=O)(=O)C1(C(=O)NCC2CCN(C(=O)C3=CCC3)C2)CCCC1 | CP003459374680 | -22.99 | O=C(NCC1CCN(C(=O)C2=CCC2)C1)C1CCCC1 |
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