clean_smiles stringlengths 18 103 | id stringlengths 14 14 | value float64 -72.94 187 ⌀ | scaffold stringlengths 0 100 |
|---|---|---|---|
Cc1c(C(=O)N2CCC2C2CCOCC2)cc(CNC(=O)OC(C)(C)C)n1C | CP000388030155 | -27.29 | O=C(c1cc[nH]c1)N1CCC1C1CCOCC1 |
Cc1noc(C)c1CNC(=O)c1nc2ccccc2cc1Br | CP001679145986 | -28.62 | O=C(NCc1cnoc1)c1ccc2ccccc2n1 |
O=C(CC(O)C1CC1)NCC1(NC(=O)C2=Cc3cc(F)ccc3OC2)CC1 | CP002203767392 | -26.4 | O=C(CCC1CC1)NCC1(NC(=O)C2=Cc3ccccc3OC2)CC1 |
Cn1nc(C(C)(C)C)cc1C(=O)N1CC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 | CP000853437191 | -28.08 | O=C(c1c[nH]c(=O)cn1)N1CC2(C1)CN(C(=O)c1ccn[nH]1)C2 |
Cn1nccc1C(=O)N1CCC(C2(NC(=O)C3(C4CCCO4)CC3)CC2)CC1 | CP000934990673 | -19.21 | O=C(c1ccn[nH]1)N1CCC(C2(NC(=O)C3(C4CCCO4)CC3)CC2)CC1 |
CN(CCCNC(=O)[C@@H]1CC=CCC1)C(=O)C1CC2(C1)CC1(CCC1)C2 | CP002737028506 | -31.45 | O=C(NCCCNC(=O)[C@@H]1CC=CCC1)C1CC2(C1)CC1(CCC1)C2 |
CCOc1cc(C(=O)NCc2cc(=O)[nH][nH]2)ccc1OCc1cccnc1 | CP000535259522 | -28.56 | O=C(NCc1cc(=O)[nH][nH]1)c1ccc(OCc2cccnc2)cc1 |
CC(C)c1noc(CCC(=O)N2CCN(C(=O)C3(C)COC3)CC(O)C2)n1 | CP002031539895 | -18.01 | O=C(CCc1ncno1)N1CCCN(C(=O)C2COC2)CC1 |
N#Cc1nnn(Cc2ccccc2)c1NC(=O)C12CC3CC(CC(F)(C3)C1)C2 | CP000383465729 | -26.45 | O=C(Nc1cnnn1Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 |
Cc1cc(C(=O)NC2CC3(CCN(C(=O)C[C@@H]4CCCC[C@H]4O)C3)C2)on1 | CP001858953240 | -23.78 | O=C(NC1CC2(CCN(C(=O)CC3CCCCC3)C2)C1)c1ccno1 |
CCc1cnoc1C(=O)NC1CC2(CCN(C(=O)C[C@H]3CCCC[C@@H]3O)C2)C1 | CP000746090806 | -22.91 | O=C(NC1CC2(CCN(C(=O)CC3CCCCC3)C2)C1)c1ccno1 |
O=C(NC1CC2(CCN(C(=O)CC3(O)CCCCC3)C2)C1)c1ccno1 | CP002601789281 | -22.56 | O=C(NC1CC2(CCN(C(=O)CC3CCCCC3)C2)C1)c1ccno1 |
Cn1ncc(C(=O)N2CCC(OCCNC(=O)c3ccc(=O)[nH]c3)C2)c1C1CC1 | CP000012256521 | -24.34 | O=C(NCCOC1CCN(C(=O)c2cn[nH]c2C2CC2)C1)c1ccc(=O)[nH]c1 |
NC(=O)C1(CNC(=O)C2CCN(c3ccccc3)C2)CN(C(=O)C2=COCC2)C1 | CP000010862866 | -25.38 | O=C(NCC1CN(C(=O)C2=COCC2)C1)C1CCN(c2ccccc2)C1 |
O=C(CNC(=O)c1cccc(OCc2cccnc2)c1)NCCN1CCOCC1 | CP000026754351 | -36.78 | O=C(CNC(=O)c1cccc(OCc2cccnc2)c1)NCCN1CCOCC1 |
Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(=O)oc3)C2)ccn1 | CP003062722540 | -34.02 | O=C(NC[C@H]1C[C@H](NC(=O)c2ccc(=O)oc2)C1)c1ccncc1 |
Cn1ccc(CCC(=O)N2CC(NC(=O)c3ccncn3)(c3ccccc3)C2)n1 | CP000144863874 | -29.33 | O=C(NC1(c2ccccc2)CN(C(=O)CCc2cc[nH]n2)C1)c1ccncn1 |
COc1cnc(C(=O)N2CCC(CCNC(=O)c3cnoc3C3CC3)C2)nc1 | CP001099565050 | -28.55 | O=C(NCCC1CCN(C(=O)c2ncccn2)C1)c1cnoc1C1CC1 |
O=C(NC1C=CCN(C(=O)C2CNc3ccnn3C2)C1)c1cc(C2CC2)no1 | CP000753077006 | -25.64 | O=C(NC1C=CCN(C(=O)C2CNc3ccnn3C2)C1)c1cc(C2CC2)no1 |
COCc1cncc(C(=O)NCC2(NC(=O)Cc3ccnc(N)c3)CC2)c1 | CP002202371147 | -50.64 | O=C(Cc1ccncc1)NC1(CNC(=O)c2cccnc2)CC1 |
CC(C(=O)NC1(CNC(=O)c2cncc(Cl)c2O)CC1)c1ccncc1 | CP002709353632 | -26.4 | O=C(Cc1ccncc1)NC1(CNC(=O)c2cccnc2)CC1 |
CCc1cc(N2CCC(CCNC(=O)C34CCCC3CCC4)C2)nc(CC)n1 | CP000507411013 | -30.74 | O=C(NCCC1CCN(c2ccncn2)C1)C12CCCC1CCC2 |
Cc1ncc(CC(=O)N2CC(CC(C)NC(=O)c3cc(CC4CCC4)c[nH]3)C2)o1 | CP000125462576 | -21.77 | O=C(NCCC1CN(C(=O)Cc2cnco2)C1)c1cc(CC2CCC2)c[nH]1 |
CCc1cc(N2CC(CNC(=O)CC3CC(=O)NC(=O)C3)(OC)C2)nc(C)n1 | CP000436163664 | -42.49 | O=C(CC1CC(=O)NC(=O)C1)NCC1CN(c2ccncn2)C1 |
CCc1ncnc(N2CC([C@H](C)NC(=O)CC3CC(=O)NC(=O)C3)C2)c1F | CP001458231188 | -24.35 | O=C(CC1CC(=O)NC(=O)C1)NCC1CN(c2ccncn2)C1 |
CCOc1cc(N2CC(O)(C(C)NC(=O)CC3CC(=O)NC(=O)C3)C2)ncn1 | CP000461184351 | -22.92 | O=C(CC1CC(=O)NC(=O)C1)NCC1CN(c2ccncn2)C1 |
C[C@H](NC(=O)CC1CC(=O)NC(=O)C1)C1CN(c2ccnc(C(F)(F)F)n2)C1 | CP000457021859 | -18.84 | O=C(CC1CC(=O)NC(=O)C1)NCC1CN(c2ccncn2)C1 |
CCCc1cc(C(=O)N2CCCCC2C(C)Nc2ncnc3scnc23)[nH]n1 | CP000484587549 | -31.54 | O=C(c1ccn[nH]1)N1CCCCC1CNc1ncnc2scnc12 |
CC(Nc1ncnc2scnc12)C1CCCCN1C(=O)c1ccnn1C | CP002040317386 | -25.52 | O=C(c1ccn[nH]1)N1CCCCC1CNc1ncnc2scnc12 |
Cc1nn(C(C)C)cc1C(=O)NCCn1cc(C2(O)CC3CCC2C3)nn1 | CP001173113521 | -20.58 | O=C(NCCn1cc(C2CC3CCC2C3)nn1)c1cn[nH]c1 |
Cc1nc(C(=O)NC2CCCC(NC(=O)c3ncn4cccnc34)C2)c(C)s1 | CP001247160193 | -27.65 | O=C(NC1CCCC(NC(=O)c2ncn3cccnc23)C1)c1cscn1 |
Cc1nc(C(=O)NC2CCCC(NC(=O)c3ncn4cccnc34)C2)cs1 | CP002061531985 | -23.91 | O=C(NC1CCCC(NC(=O)c2ncn3cccnc23)C1)c1cscn1 |
CCOCCC1(C(=O)NCC2C3CN(CC(OC)C4CCC4)CC23)CCC1 | CP001583648140 | -26.22 | O=C(NCC1C2CN(CCC3CCC3)CC12)C1CCC1 |
COc1cc(C(=O)NC[C@H]2CCCN(C(=O)CC3CC4CCC3C4)C2)ccc1C | CP000184499076 | -30.77 | O=C(NC[C@H]1CCCN(C(=O)CC2CC3CCC2C3)C1)c1ccccc1 |
Cc1cc(C(=O)NCC23CC(CO2)N(C(=O)c2cn(C)c(=O)n2C)C3)[nH]n1 | CP002132582708 | -21.94 | O=C(NCC12CC(CO1)N(C(=O)c1c[nH]c(=O)[nH]1)C2)c1ccn[nH]1 |
CN(CC(=O)N1CCCC12CCN(C(=O)c1coc(CO)c1)C2)c1ncccn1 | CP000133492511 | -23.54 | O=C(c1ccoc1)N1CCC2(CCCN2C(=O)CNc2ncccn2)C1 |
O=C(NCC1CCN1C(=O)c1csc(=O)[nH]1)c1ccc2cccnn12 | CP003040539279 | -25.09 | O=C(NCC1CCN1C(=O)c1csc(=O)[nH]1)c1ccc2cccnn12 |
CC1(C)CC1C(=O)NCC1CC2(CCC2)CN1C(=O)c1nccn2ccnc12 | CP000832326871 | -25.58 | O=C(NCC1CC2(CCC2)CN1C(=O)c1nccn2ccnc12)C1CC1 |
CC1(C)C[C@@H]1C(=O)NCC1CC2(CCC2)CN1C(=O)c1nccn2ccnc12 | CP000832328620 | -24.34 | O=C(NCC1CC2(CCC2)CN1C(=O)c1nccn2ccnc12)C1CC1 |
Cc1nnc(N2CCC[C@]2(C)CNC(=O)Cc2cnn3c2CCCC3)s1 | CP002228772555 | -26.31 | O=C(Cc1cnn2c1CCCC2)NCC1CCCN1c1nncs1 |
CCn1cc(CCN2CCN(C(=O)C3CN(C)CCO3)CC2)cn1 | CP002935758735 | -34.92 | O=C(C1CNCCO1)N1CCN(CCc2cn[nH]c2)CC1 |
Cc1c(C(=O)N2CC(C)C(CNC(=O)c3cn(C)cn3)C2)cnc2ncnn12 | CP000906408400 | -27.83 | O=C(NCC1CCN(C(=O)c2cnc3ncnn3c2)C1)c1c[nH]cn1 |
COCCC1(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc4oc(C)c(C)c4[nH]3)C2)CC1 | CP001083026169 | -28.79 | O=C(N[C@H]1C[C@H](CNC(=O)C2CC2)C1)c1cc2occc2[nH]1 |
O=C(C1C2CCCC21)N1CCC(CNc2ncc3ccccc3n2)C1 | CP002387419570 | -26.83 | O=C(C1C2CCCC21)N1CCC(CNc2ncc3ccccc3n2)C1 |
CCc1cccnc1C(=O)NC[C@H]1CCCN(C(=O)COc2ccon2)C1 | CP002020506626 | -27.13 | O=C(NC[C@H]1CCCN(C(=O)COc2ccon2)C1)c1ccccn1 |
CN(C)c1ccc(C(=O)NCC2N(c3cc(=O)n(C)cn3)CCCC2(C)C)cc1 | CP000280511165 | -31.41 | O=C(NCC1CCCCN1c1cc(=O)[nH]cn1)c1ccccc1 |
CC(C)[C@@H](O)C(=O)N1CC[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1 | CP003426555450 | -19.73 | O=C(CS(=O)(=O)C1CCCC1)N[C@H]1CCNC1 |
CC(C)OCCCC(=O)N1CC[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1 | CP002959157684 | -18 | O=C(CS(=O)(=O)C1CCCC1)N[C@H]1CCNC1 |
C[C@H](CNC(=O)C1(C2CCC2)CC1(F)F)NC(=O)c1cnccc1C#N | CP002764009994 | -28.76 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CC(CNC(=O)C1(C2CCC2)CC1(F)F)NC(=O)c1cncc(OC(C)C)c1 | CP001239222514 | -26.04 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CC(C)C(CNC(=O)c1ccc(CO)nc1)NC(=O)C1(C2CCC2)CC1(F)F | CP000690846785 | -25.96 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CCC(CNC(=O)c1cnccc1C)NC(=O)C1(C2CCC2)CC1(F)F | CP002615701058 | -25.3 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CC(CNC(=O)C1(C2CCC2)CC1)N(C)C(=O)c1cccnc1C(F)(F)F | CP001951585716 | -24.38 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
C[C@H](CNC(=O)c1cnccc1O)NC(=O)C1(C2CCC2)CC1 | CP003502648203 | -24.2 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cncc(O)c1 | CP003481660319 | -24.12 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CC(CNC(=O)c1cccnc1)N(C)C(=O)C1(C2CCC2)CC1(F)F | CP003172002750 | -23.04 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
C[C@@H](CNC(=O)C1(C2CCC2)CC1)NC(=O)c1cccnc1 | CP003179373151 | -22.86 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CNc1ccc(C(=O)NCCN(C)C(=O)C2(C3CCC3)CC2(F)F)cn1 | CP002941156828 | -22.35 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
Cc1cncc(C(=O)NC(CNC(=O)C2(C3CCC3)CC2)CC(C)C)c1 | CP002634194933 | -22.16 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
Cc1nc(O)ccc1C(=O)NCCN(C)C(=O)C1(C2CCC2)CC1 | CP003420484025 | -22.12 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CNc1ccc(C(=O)N(CCNC(=O)C2(C3CCC3)CC2)CCOC)cn1 | CP001637851056 | -22.01 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CCSc1ccc(C(=O)N(C)CCNC(=O)C2(C3CCC3)CC2(F)F)cn1 | CP002108078194 | -21.82 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CC(C)Oc1ncccc1C(=O)NCCN(C)C(=O)C1(C2CCC2)CC1(F)F | CP001092186873 | -21.61 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
COc1ccncc1C(=O)N(C)CCN(C(=O)C1(C2CCC2)CC1)C(C)C | CP001633584181 | -21.46 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CC(CN(C)C(=O)C1(C2CCC2)CC1)NC(=O)c1cccnc1O | CP003396185536 | -21.45 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
C[C@@H](CNC(=O)C1(C2CCC2)CC1)NC(=O)c1ccc(C(=O)N(C)C)nc1 | CP002191065712 | -20.16 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CCOc1ccc(C(=O)N(CC)CCNC(=O)C2(C3CCC3)CC2(F)F)cn1 | CP001064340531 | -19.09 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CN(CCN(C)C(=O)C1(C2CCC2)CC1(F)F)C(=O)c1cccnc1O | CP002829572682 | -14.32 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CN(CCN(C)C(=O)C1(C2CCC2)CC1)C(=O)c1cnccc1O | CP003439320654 | -12.26 | O=C(NCCNC(=O)C1(C2CCC2)CC1)c1cccnc1 |
CC(CNC(=O)C(C)Cn1ccnc1)NC(=O)C1CC2(CCOC2)C1 | CP003316975955 | -42.18 | O=C(CCn1ccnc1)NCCNC(=O)C1CC2(CCOC2)C1 |
Cc1ccc(CN2CCCC3(CCN(C(=O)CCc4cncc(F)c4)C3)C2)cc1 | CP000196605657 | -38.94 | O=C(CCc1cccnc1)N1CCC2(CCCN(Cc3ccccc3)C2)C1 |
C=C1CC(C)(C(=O)NC2CN(C(=O)c3cc(O)cnc3N)C3CCCCC23)C1 | CP000582398038 | -23.75 | C=C1CC(C(=O)NC2CN(C(=O)c3cccnc3)C3CCCCC23)C1 |
C=C1CC(C)(C(=O)NC2CN(C(=O)c3cccnc3OC)C3CCCCC23)C1 | CP000582397605 | -23.53 | C=C1CC(C(=O)NC2CN(C(=O)c3cccnc3)C3CCCCC23)C1 |
CCN(CCCNC(=O)c1cc(F)ccc1C)C(=O)c1ccc2nnc(C)n2c1 | CP000157195102 | -37.37 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
CCN(CCCNC(=O)c1ccc2nncn2c1)C(=O)c1cccc(CF)c1 | CP001021693923 | -35.57 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Cc1ccc(C(=O)NCC(O)CNC(=O)c2ccc3nncn3c2)cc1C | CP002097580750 | -35.32 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Cc1ccc(C(=O)NC(C)CCNC(=O)c2ccc3nncn3c2)cc1 | CP002875393890 | -35.08 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
CC(CNC(=O)c1ccc2nncn2c1)CNC(=O)c1ccc(N)cc1O | CP001945465670 | -33.96 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Nc1ccc(C(=O)NCCCNC(=O)c2ccc3nncn3c2)cc1 | CP003259712768 | -32.91 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
CN(CCCNC(=O)c1ccc2nncn2c1)C(=O)c1cc(Cl)ccc1N | CP001962800528 | -32.5 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Cc1nnc2ccc(C(=O)NCCCNC(=O)c3cccc(CF)c3)cn12 | CP002330544375 | -31.38 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Cc1cc(Cl)cc(C)c1C(=O)NCCCNC(=O)c1ccc2nnc(C)n2c1 | CP001189755493 | -31.08 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Cc1cc(C#N)cc(C)c1C(=O)NCCCNC(=O)c1ccc2nnc(C)n2c1 | CP000352713604 | -30.81 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
CN(CCCNC(=O)c1ccc2nncn2c1)C(=O)c1ccc(C(F)F)cc1 | CP001016614858 | -30.72 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
CC(CCNC(=O)c1ccc2nncn2c1)N(C)C(=O)c1ccc(C#N)cc1 | CP000735491184 | -30.66 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
CN(CCCNC(=O)c1ccc(C#N)cc1F)C(=O)c1ccc2nncn2c1 | CP001210768989 | -30.59 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Cc1ccc(C(=O)N(C)C(C)CCNC(=O)c2ccc3nncn3c2)cc1F | CP000735491051 | -29.95 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Cc1ccc(F)c(C(=O)NCCCN(C)C(=O)c2ccc3nnc(C)n3c2)c1 | CP001017516284 | -29.95 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
COc1ccc(C(=O)N(C)CCCNC(=O)c2ccc3nnc(C)n3c2)c(N)c1 | CP000154973177 | -29.46 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
C[C@@H](CCNC(=O)c1cccc(C#CCO)c1)NC(=O)c1ccc2nncn2c1 | CP000052416101 | -28.61 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Cc1nnc2ccc(C(=O)NC(C)CCNC(=O)c3ccccc3CO)cn12 | CP001059086075 | -28.34 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
C[C@@H](CCNC(=O)c1ccc2nncn2c1)NC(=O)c1ccc(N)c(F)c1 | CP001883704535 | -28.23 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Cc1c(Cl)cccc1C(=O)N[C@@H](C)CCNC(=O)c1ccc2nnc(C)n2c1 | CP000805833976 | -28.01 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Nc1ccc(C(=O)NCCCNC(=O)c2ccc3nncn3c2)c(F)c1 | CP002814632089 | -27.78 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Cc1ccc(F)cc1C(=O)N(C)CCCNC(=O)c1ccc2nncn2c1 | CP001962800290 | -27 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Cc1cccc(C(=O)N[C@@H](C)CCNC(=O)c2ccc3nncn3c2)c1F | CP001883704364 | -26.82 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
C[C@@H](CCNC(=O)c1ccc2nncn2c1)NC(=O)c1cc(Cl)ccc1N | CP001883704517 | -26.36 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
Cc1ccc(C(=O)NCCC(C)N(C)C(=O)c2ccc3nncn3c2)cc1C | CP000735274752 | -26.11 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
O=C(NCC(O)CNC(=O)c1cccc(O)c1F)c1ccc2nncn2c1 | CP002097890691 | -26 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
CN(CCCNC(=O)c1cc(N)cc(N)c1)C(=O)c1ccc2nncn2c1 | CP002197381815 | -25.75 | O=C(NCCCNC(=O)c1ccc2nncn2c1)c1ccccc1 |
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