clean_smiles stringlengths 18 103 | id stringlengths 14 14 | value float64 -72.94 187 ⌀ | scaffold stringlengths 0 100 |
|---|---|---|---|
COC1CCCC1C(=O)NCC1CCN(C(=O)C2=CCC2)C1 | CP003487501281 | -21.72 | O=C(NCC1CCN(C(=O)C2=CCC2)C1)C1CCCC1 |
CNC(=O)NC1(C(=O)NCC2CC(C)N(C(=O)C3=CC(C)(C)C3)C2)CCCC1 | CP001079767654 | -21.47 | O=C(NCC1CCN(C(=O)C2=CCC2)C1)C1CCCC1 |
CC1CC(CNC(=O)C2(N(C)C)CCCC2)CN1C(=O)C1=CCC1 | CP003418401017 | -19.84 | O=C(NCC1CCN(C(=O)C2=CCC2)C1)C1CCCC1 |
CC(=O)CC1(C(=O)NCC2CC(C)N(C(=O)C3=CCC3)C2)CCCC1 | CP003061236960 | -18.71 | O=C(NCC1CCN(C(=O)C2=CCC2)C1)C1CCCC1 |
Cn1cnnc1C(=O)N1CCC(OCCCNC(=O)CN2CCCC2=O)CC1 | CP000898477126 | -22.79 | O=C(CN1CCCC1=O)NCCCOC1CCN(C(=O)c2nnc[nH]2)CC1 |
O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(Cl)s1 | CP001548164191 | -16.3 | O=S(=O)(Nc1nnc(Cc2ccccc2)s1)c1cccs1 |
Cc1nccc(CCC(=O)NCC(C)NC(=O)c2cnn3c2CCCN3)n1 | CP002308309816 | -30.92 | O=C(CCc1ccncn1)NCCNC(=O)c1cnn2c1CCCN2 |
CC(OCC1CC1)C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C | CP003086843092 | -39.51 | O=C(NC[C@H]1CCCCN1C(=O)COCC1CC1)[C@H]1CCCN1 |
CC1(C(=O)N2C3CCCC2CN(C(=O)COc2ccon2)C3)CCC(=O)C1 | CP002208852276 | -19.64 | O=C1CCC(C(=O)N2C3CCCC2CN(C(=O)COc2ccon2)C3)C1 |
CCc1c(C(=O)N2CCCCC(NC(=O)C=Cc3ccccn3)C2)cnn1CC | CP000159661400 | -24.99 | O=C(C=Cc1ccccn1)NC1CCCCN(C(=O)c2cn[nH]c2)C1 |
COc1cnc(C(=O)N2CCC(C)C2CNC(=O)c2cccn3cnnc23)nc1 | CP000170152757 | -26.14 | O=C(NCC1CCCN1C(=O)c1ncccn1)c1cccn2cnnc12 |
CC1CC(NC(=O)C23CCOC2CCOC3)CN1C(=O)C1CCC=CO1 | CP002532168602 | -19.84 | O=C(C1CCC=CO1)N1CCC(NC(=O)C23CCOC2CCOC3)C1 |
Cc1cccc(OCCC(=O)N2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)c1C | CP002325192709 | -22.41 | O=C1NC[C@@H](C(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)O1 |
O=C(NCCCCCCNC(=O)[C@@H]1CCOC1)c1cccc(N2CC=CC2)c1 | CP001191726420 | -26.47 | O=C(NCCCCCCNC(=O)[C@@H]1CCOC1)c1cccc(N2CC=CC2)c1 |
Cc1ncc2ccccc2c1C(=O)NCCCNc1nc2c(cnn2C)c(=O)[nH]1 | CP000294607157 | -29.31 | O=C(NCCCNc1nc2[nH]ncc2c(=O)[nH]1)c1cncc2ccccc12 |
CC1(C)C(O)CC1CC(=O)N[C@H]1[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)C[C@@H]21 | CP002303581120 | -27.34 | O=C(CC1CCC1)N[C@H]1[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)C[C@@H]21 |
COC(C(=O)N[C@H]1[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)C[C@@H]21)C1CC(F)(F)C1 | CP001232923008 | -21.35 | O=C(CC1CCC1)N[C@H]1[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)C[C@@H]21 |
Cn1nccc1CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 | CP000184716650 | -20.42 | O=C(NC[C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1)[C@@H]1Cc2cncn2C(=O)N1 |
CC1(C)CC(C(=O)N(CCNC(=O)c2c[nH]c(C3CC3)n2)Cc2ccccc2)C1 | CP000264770549 | -27.24 | O=C(NCCN(Cc1ccccc1)C(=O)C1CCC1)c1c[nH]c(C2CC2)n1 |
O=C(NC1CCCN(C(=O)CCc2cccs2)CC1)C1CCCC(F)C1 | CP001266798268 | -31.14 | O=C(NC1CCCN(C(=O)CCc2cccs2)CC1)C1CCCCC1 |
Cc1cc(NCC2CC(NC(=O)c3c[nH]c(C)n3)C2)nc(CC2CC2)n1 | CP001919538051 | -48.95 | O=C(NC1CC(CNc2ccnc(CC3CC3)n2)C1)c1c[nH]cn1 |
C[C@@H]1CN(C(=O)C2=CCOCC2)CCN1C(=O)C1CC2(CC(O)C2)C1 | CP003043687127 | -17.59 | O=C(C1=CCOCC1)N1CCN(C(=O)C2CC3(CCC3)C2)CC1 |
CN(CC1CN(C(=O)c2cc(N)cc(N)c2)C1)C(=O)C1CCC2CCCCN21 | CP000714594212 | -48.49 | O=C(NCC1CN(C(=O)c2ccccc2)C1)C1CCC2CCCCN21 |
CN(CC1CN(C(=O)c2ccccc2Cl)C1)C(=O)C1CCC2CCCCN21 | CP001781901724 | -48.23 | O=C(NCC1CN(C(=O)c2ccccc2)C1)C1CCC2CCCCN21 |
CCc1ccc(C(=O)N2CC(O)(CNC(=O)C3CCC4CCCCN43)C2)cc1 | CP000708301675 | -47.59 | O=C(NCC1CN(C(=O)c2ccccc2)C1)C1CCC2CCCCN21 |
CC(CC1CCCC1)C(=O)N1CC(C)C(CNC(=O)Cn2ncnn2)C1 | CP002682943181 | -19.01 | O=C(Cn1ncnn1)NCC1CCN(C(=O)CCC2CCCC2)C1 |
Cc1nc(O)ccc1C(=O)NCCC1(O)CN(C(=O)c2ccncc2)C1 | CP002786969045 | -26.75 | O=C(NCCC1CN(C(=O)c2ccncc2)C1)c1cccnc1 |
Cc1cncc(C(=O)NCCC2(O)CN(C(=O)c3ccnc(CO)c3)C2)c1 | CP002125886494 | -26.14 | O=C(NCCC1CN(C(=O)c2ccncc2)C1)c1cccnc1 |
Cc1ccc(C(=O)NC(C)CC2CN(C(=O)c3ccncc3N)C2)cn1 | CP002588810141 | -24.23 | O=C(NCCC1CN(C(=O)c2ccncc2)C1)c1cccnc1 |
CC(CC1CN(C(=O)c2ccncc2F)C1)NC(=O)c1cccnc1C(F)F | CP000710557492 | -24.19 | O=C(NCCC1CN(C(=O)c2ccncc2)C1)c1cccnc1 |
COc1ncccc1C(=O)NC(C)CC1CN(C(=O)c2ccncc2N)C1 | CP001777743176 | -20.42 | O=C(NCCC1CN(C(=O)c2ccncc2)C1)c1cccnc1 |
CCCn1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(N(C)C)ccn3)C2)cn1 | CP001264818049 | -28.13 | O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)c1ccccn1 |
CCn1ncc(C(=O)N2CC[C@H](CNC(=O)c3ccccn3)C2)c1C | CP003049094072 | -27.06 | O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)c1ccccn1 |
Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cn[nH]c3C)C2)c(C)c1 | CP003049922329 | -26.71 | O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)c1ccccn1 |
CCn1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(F)n3)C2)cn1 | CP003049980734 | -25.16 | O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)c1ccccn1 |
CCc1nn(C)cc1C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(F)n2)C1 | CP002446626886 | -24.72 | O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)c1ccccn1 |
Cc1cc(C)nc(C(=O)NC[C@H]2CCN(C(=O)c3cnn(CCO)c3)C2)c1 | CP002445066410 | -24.27 | O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)c1ccccn1 |
Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cn(C(C)C)nc3C)C2)nc1 | CP002446067372 | -24.17 | O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)c1ccccn1 |
Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(F)cn3)C2)c(C(F)(F)F)n1 | CP001264506489 | -23.99 | O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)c1ccccn1 |
CCCCn1cc(C(=O)N2CC[C@H](CNC(=O)c3ncccc3F)C2)c(C)n1 | CP001102072673 | -23.74 | O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)c1ccccn1 |
COc1cc(C)cnc1C(=O)NC[C@H]1CCN(C(=O)c2c(C)nn(C)c2C)C1 | CP001102856735 | -23.34 | O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)c1ccccn1 |
Cc1nn(C)c(C)c1C(=O)N1CC[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 | CP001101895713 | -22.34 | O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)c1ccccn1 |
Cc1nn(CCO)cc1C(=O)N1CC[C@H](CNC(=O)c2ccc(CO)cn2)C1 | CP001103774476 | -22.01 | O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)c1ccccn1 |
Cc1ncc(CN2CCN(CCCNC(=O)c3scnc3C)CC2)o1 | CP002409482941 | -35.9 | O=C(NCCCN1CCN(Cc2cnco2)CC1)c1cncs1 |
Cc1ccncc1C(=O)N1CC2CC(NC(=O)c3cnc(C(N)=O)cn3)C2C1 | CP000994107313 | -24.81 | O=C(NC1CC2CN(C(=O)c3cccnc3)CC21)c1cnccn1 |
Nc1ncc(C(=O)N2CC3CC(NC(=O)c4nccnc4N)C3C2)cc1Cl | CP002036358352 | -23.64 | O=C(NC1CC2CN(C(=O)c3cccnc3)CC21)c1cnccn1 |
COCc1ncc(NC(=O)N2CCC(Oc3ccccn3)C2)cn1 | CP001329325398 | -30.27 | O=C(Nc1cncnc1)N1CCC(Oc2ccccn2)C1 |
CN1CCc2ccc(NC(=O)C(=O)NC(CO)c3ccnn3C)cc2C1 | CP001507669188 | -42.97 | O=C(NCc1ccn[nH]1)C(=O)Nc1ccc2c(c1)CNCC2 |
CC1(NC(=O)c2ccc(-n3cncn3)nc2)CN(C(=O)CCN2CCOCC2)C1 | CP000069741690 | -49.31 | O=C(NC1CN(C(=O)CCN2CCOCC2)C1)c1ccc(-n2cncn2)nc1 |
Cn1cc(Cl)cc1C(=O)NC1CN(C(=O)C2CC23CCOCC3)CC1(C)C | CP001628419139 | -26.44 | O=C(NC1CCN(C(=O)C2CC23CCOCC3)C1)c1ccc[nH]1 |
C=CC(O)C(=O)NC1CC(NC(=O)c2cnn(C)c2-n2cccc2)C12CCC2 | CP000645354748 | -25.5 | O=C(NC1CCC12CCC2)c1cn[nH]c1-n1cccc1 |
COC1(CCNc2nnc(C)o2)CN(C(=O)[C@H]2CCCO2)C1 | CP003474348133 | -15.98 | O=C([C@H]1CCCO1)N1CC(CCNc2nnco2)C1 |
Cc1cc(C(=O)N2CC(CNC(=O)C3(Cc4ccc(F)cc4)CC3)C2)c(=O)[nH]n1 | CP000382350449 | -22.53 | O=C(c1ccn[nH]c1=O)N1CC(CNC(=O)C2(Cc3ccccc3)CC2)C1 |
COc1ccc2[nH]nc(C(=O)N3CCN(C(=O)CC4CC4C)CC34CCC4)c2c1 | CP000105057113 | -29.13 | O=C(CC1CC1)N1CCN(C(=O)c2n[nH]c3ccccc23)C2(CCC2)C1 |
COc1ccc2[nH]nc(C(=O)N3CCN(C(=O)CC4(C)CC4)CC34CCC4)c2c1 | CP000105057108 | -23 | O=C(CC1CC1)N1CCN(C(=O)c2n[nH]c3ccccc23)C2(CCC2)C1 |
Cc1cc(N2CC3C4CCC(C3C2)N(C(=O)C2C=CCC2)C4)nc(C(C)C)n1 | CP000437474642 | null | O=C(C1C=CCC1)N1CC2CCC1C1CN(c3ccncn3)CC21 |
CCC(CNC(=O)c1ccc2cncn2c1)NC(=O)C1CCc2nnc(C)n2C1 | CP000160853938 | -29.07 | O=C(NCCNC(=O)C1CCc2nncn2C1)c1ccc2cncn2c1 |
Cc1cc(C(=O)N(CCNC(=O)c2cncc3c2CCCC3)C2CC2)cn1C | CP001088923012 | -27.81 | O=C(NCCN(C(=O)c1cc[nH]c1)C1CC1)c1cncc2c1CCCC2 |
CC(CCN1CCOC1=O)Nc1cnc(F)cn1 | CP000622109954 | -24.93 | O=C1OCCN1CCCNc1cnccn1 |
Cc1ccccc1OCC(=O)NC1CCN(C(=O)CCc2ccccn2)CC1O | CP000041242833 | -29 | O=C(COc1ccccc1)NC1CCN(C(=O)CCc2ccccn2)CC1 |
COC(C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC=Cc3ccccc31)C2 | CP000073757114 | null | O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2)C1CC=Cc2ccccc21 |
CC1(C(=O)N2CCOC3(CN(C(=O)C=Cc4ccccn4)C3)C2)CCCO1 | CP002016604968 | -23.76 | O=C(C=Cc1ccccn1)N1CC2(C1)CN(C(=O)C1CCCO1)CCO2 |
CC1CCN(C(=O)CN2CC=C(CCNC(=O)C3CCC(F)CC3)CC2)CC1 | CP000493495500 | -22.53 | O=C(NCCC1=CCN(CC(=O)N2CCCCC2)CC1)C1CCCCC1 |
O=C(C(F)CC1CC1)N1CCC2CCC(C1)N2C(=O)CC1CC(F)C1 | CP003289473297 | -19.33 | O=C(CCC1CC1)N1CCC2CCC(C1)N2C(=O)CC1CCC1 |
CN(CC(O)CN(C)c1ccncc1C#N)C(=O)Cc1n[nH]c2c1CCCC2 | CP000419529955 | -25.71 | O=C(Cc1n[nH]c2c1CCCC2)NCCCNc1ccncc1 |
CC(C)[C@@H](CCNC(=O)Cc1n[nH]c2c1CCCC2)Nc1ccncc1C#N | CP000417423097 | -24.3 | O=C(Cc1n[nH]c2c1CCCC2)NCCCNc1ccncc1 |
CC(=CC(=O)N1CC(CNC(=O)CCOCC2CCCO2)C1)c1ccco1 | CP002450331647 | -28.19 | O=C(CCOCC1CCCO1)NCC1CN(C(=O)C=Cc2ccco2)C1 |
Cn1cc(CCC(=O)NC(CNC(=O)[C@H]2CC2(F)F)C2CCCC2)cn1 | CP002717925562 | -25.06 | O=C(CCc1cn[nH]c1)NC(CNC(=O)C1CC1)C1CCCC1 |
Cc1cnc(C(=O)N2CC(C)C(NC(=O)C(C)(C)c3cncnc3)C2)cn1 | CP001874732511 | -28.44 | O=C(Cc1cncnc1)NC1CCN(C(=O)c2cnccn2)C1 |
Cc1nc(C)c(C(=O)N2CC(C)C(NC(=O)Cc3cncnc3)C2)nc1C | CP001876354393 | -24.86 | O=C(Cc1cncnc1)NC1CCN(C(=O)c2cnccn2)C1 |
CC(CC1CCC1)C(=O)NCC1C2CN(C(=O)Cc3ccnc(F)c3)CC12 | CP001995176458 | -21.03 | O=C(CCC1CCC1)NCC1C2CN(C(=O)Cc3ccncc3)CC12 |
CC(CN(C)C(=O)c1ccc2ccncc2n1)NC(=O)c1cc(O)cc(Cl)n1 | CP001208492933 | -33.99 | O=C(NCCNC(=O)c1ccc2ccncc2n1)c1ccccn1 |
CCCN(CCNC(=O)c1ccc2ccnc(O)c2n1)C(=O)c1cccc(N)n1 | CP000347873780 | -32.25 | O=C(NCCNC(=O)c1ccc2ccncc2n1)c1ccccn1 |
CC(CNC(=O)c1ccc2ccncc2n1)NC(=O)c1nc(Cl)ccc1N | CP002308285807 | -28.89 | O=C(NCCNC(=O)c1ccc2ccncc2n1)c1ccccn1 |
C[C@H](CNC(=O)c1ccc2ccnc(O)c2n1)NC(=O)c1cc(N)ccn1 | CP002157996701 | -24.74 | O=C(NCCNC(=O)c1ccc2ccncc2n1)c1ccccn1 |
CC1CCCN(C(=O)C(=O)NCC(C)N(C)C(=O)c2ccc3ncccc3c2)C1 | CP000232355269 | -29.33 | O=C(NCCNC(=O)c1ccc2ncccc2c1)C(=O)N1CCCCC1 |
CC1(CC(=O)N[C@H]2C[C@@H](NC(=O)C3(c4ccccc4)CC3(C)C)C2)CC1 | CP002968794355 | -23.13 | O=C(CC1CC1)N[C@H]1C[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 |
Cc1c(F)cccc1C1(C(=O)N[C@H]2C[C@@H](NC(=O)CC3(C#N)CC3)C2)CC1 | CP002250417253 | -20.41 | O=C(CC1CC1)N[C@H]1C[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 |
CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)C2(c3ccccc3)CC2(C)C)C1)C1CC1 | CP002248713711 | -18.78 | O=C(CC1CC1)N[C@H]1C[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 |
Cn1ccnc1SCc1ccc(C(=O)N2CC[C@@]3(CO)CCC[C@@H]23)o1 | CP001224706731 | -29.38 | O=C(c1ccc(CSc2ncc[nH]2)o1)N1CCC2CCC[C@H]21 |
CC(CCCNC(=O)[C@H]1C[C@@H]1C)NC(=O)C1CN(C)CC1C(F)(F)F | CP003064456858 | -44.54 | O=C(NCCCCNC(=O)C1CCNC1)C1CC1 |
CC(CCCNC(=O)C1CN(C)CC1C(F)(F)F)NC(=O)[C@H]1C[C@@H]1C | CP003063942747 | -42.35 | O=C(NCCCCNC(=O)C1CCNC1)C1CC1 |
Cc1ncnc(C)c1C(=O)N1CCC([C@H](C)NC(=O)COC2CCOC2)CC1 | CP000581437049 | -20.99 | O=C(COC1CCOC1)NCC1CCN(C(=O)c2cncnc2)CC1 |
COCCC(=O)N1CC2C(CNC(=O)c3noc4ccc(Cl)cc34)C2C1 | CP002677198497 | -24.72 | O=C(NCC1C2CNCC21)c1noc2ccccc12 |
CCc1ncoc1C(=O)NC1CCC(NC(=O)C2C3CCC(C3)C2(C)C)CC1 | CP001235576714 | null | O=C(NC1CCC(NC(=O)C2CC3CCC2C3)CC1)c1cnco1 |
Cc1cc(C(=O)NCC2(NC(=O)Cc3cccs3)CCCCC2)sn1 | CP003256471726 | -24.85 | O=C(Cc1cccs1)NC1(CNC(=O)c2ccns2)CCCCC1 |
Cc1nc(O)c(C)c(N[C@H]2CCN(C(=O)c3n[nH]c4ccccc4c3=O)C2)n1 | CP000487009050 | -14.53 | O=C(c1n[nH]c2ccccc2c1=O)N1CC[C@H](Nc2ccncn2)C1 |
Cc1ccc(O)c(C(=O)N2CCCC(CNC(=O)C3CCc4cn[nH]c4C3)C2)c1 | CP000342580104 | -27.03 | O=C(NCC1CCCN(C(=O)c2ccccc2)C1)C1CCc2cn[nH]c2C1 |
CC(CC1CCC1)C(=O)N(C)C(C)CNc1cc(OC2CCOCC2)ncn1 | CP000462336950 | -26.06 | O=C(CCC1CCC1)NCCNc1cc(OC2CCOCC2)ncn1 |
CC1CCN(C(=O)c2cc3c(s2)CCOC3)CCN1C(=O)CC1CSC1 | CP002509189433 | -23.8 | O=C(CC1CSC1)N1CCCN(C(=O)c2cc3c(s2)CCOC3)CC1 |
Cc1ccccc1C(=O)N(CCNC(=O)c1nc(C2CC2)ncc1Cl)C1CC1 | CP001088524290 | -27.68 | O=C(NCCN(C(=O)c1ccccc1)C1CC1)c1ccnc(C2CC2)n1 |
COc1ccc(C(=O)N(CCNC(=O)c2ccnc(C3CC3)n2)C2CC2)cc1F | CP000348312364 | -27.12 | O=C(NCCN(C(=O)c1ccccc1)C1CC1)c1ccnc(C2CC2)n1 |
CCc1cc(N)ccc1C(=O)N(CCNC(=O)c1ccnc(C2CC2)n1)C1CC1 | CP000348312703 | -25.45 | O=C(NCCN(C(=O)c1ccccc1)C1CC1)c1ccnc(C2CC2)n1 |
O=C1CC(C(=O)N2CCC(CCNC(=O)c3cc4ccccc4c(=O)o3)C2)=NN1 | CP000224126063 | -32.83 | O=C1CC(C(=O)N2CCC(CCNC(=O)c3cc4ccccc4c(=O)o3)C2)=NN1 |
CCOC(CC)C(=O)N1CCC(NC(=O)C2=CCCO2)C12CCC2 | CP003341584246 | -21.63 | O=C(NC1CCNC12CCC2)C1=CCCO1 |
COc1ccc(OC)c(C2CC2C(=O)N2CCNCC2c2ccncc2)c1 | CP001291332893 | -23.1 | O=C(C1CC1c1ccccc1)N1CCNCC1c1ccncc1 |
Cc1ncnc(C)c1C(=O)NC(C)CNC(=O)C1CC2(CSC2)C1 | CP003456712862 | -24.19 | O=C(NCCNC(=O)C1CC2(CSC2)C1)c1cncnc1 |
CN(CCN(C)C(=O)C1CC2(CSC2)C1)C(=O)c1cnc(N)nc1 | CP003439234921 | -24.15 | O=C(NCCNC(=O)C1CC2(CSC2)C1)c1cncnc1 |
CCc1ncncc1C(=O)NC[C@H](C)NC(=O)C1CC2(CSC2)C1 | CP003394790296 | -22.3 | O=C(NCCNC(=O)C1CC2(CSC2)C1)c1cncnc1 |
C=C1CC1C(=O)N1CCC2C(CCCN2C(=O)C2(C(=O)OCC)CCO2)C1 | CP001757068244 | -25.14 | C=C1CC1C(=O)N1CCC2C(CCCN2C(=O)C2CCO2)C1 |
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