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Size:
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ArXiv:
Upload JNK3/negative.csv
Browse files- JNK3/negative.csv +151 -0
JNK3/negative.csv
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| 1 |
+
smiles,score
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| 2 |
+
NC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1,0.1
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| 3 |
+
CCc1nnc2c(NC3CC3)nc3ccccc3n12,0.0
|
| 4 |
+
NCc1ccc(S(N)(=O)=O)cc1,0.0
|
| 5 |
+
CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(C)cc(=O)nc1SCc1ccc(F)cc1,0.05
|
| 6 |
+
CC1CCC(OC(=O)C2=NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]2C)CC1,0.02
|
| 7 |
+
Cc1ccccc1C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(=O)O,0.0
|
| 8 |
+
CN1Cc2c(C(=O)OCC(C)(C)C)ncn2-c2ccc(Cl)cc2C1=O,0.01
|
| 9 |
+
O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cc(Cl)c(Cl)cc1Cl,0.06
|
| 10 |
+
CCCN(CCC)C1Cc2cccc3oc(=O)n(c23)C1,0.01
|
| 11 |
+
CCCN(CCC)C1Cc2cccc3ncc(=O)n(c23)C1,0.03
|
| 12 |
+
CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(CC)c1,0.0
|
| 13 |
+
C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCC(=O)N1CCCCCC1,0.01
|
| 14 |
+
Cc1ccccc1Sc1cncc2sc(C(N)=O)cc12,0.03
|
| 15 |
+
COC(=O)CSCCCCC/C=C(\NC(=O)C1CC1(C)C)C(=O)O,0.0
|
| 16 |
+
N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1,0.09
|
| 17 |
+
O=C1c2ccccc2CCCN1CCN1CCC(N2C(=O)Cc3ccccc32)CC1,0.02
|
| 18 |
+
O=C(O)c1cc2c3cc([N+](=O)[O-])ccc3nc(O)n2n1,0.13
|
| 19 |
+
CC(C)NCC(O)COC(=O)c1ccc(N)cc1,0.01
|
| 20 |
+
O=C1c2ccccc2CCCN1CCN1CCC(n2ccc3cc(F)ccc32)CC1,0.01
|
| 21 |
+
O=C(CCc1ccccc1)NCCc1c[nH]cn1,0.03
|
| 22 |
+
C/C=C(\NC(=O)[C@@H]1C[C@@H]1C)C(=O)O,0.0
|
| 23 |
+
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,0.03
|
| 24 |
+
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1,0.02
|
| 25 |
+
Cc1cc([N+](=O)[O-])ccc1/N=C(\S)Nc1ccc2c(c1)C(C)(C)CC(C)(C)S2,0.1
|
| 26 |
+
c1ccc(Cn2c(SCc3ncon3)nnc2-c2cccs2)cc1,0.0
|
| 27 |
+
Fc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2,0.07
|
| 28 |
+
CCCCN(CCCC)CCN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1,0.0
|
| 29 |
+
Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(C)(=O)=O)C(c2ccccc2)c2ccccc2)ccc1CN,0.02
|
| 30 |
+
CCNc1cnc(-c2cccs2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,0.02
|
| 31 |
+
CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCN=C(S)Nc4cccc(N=C=S)c4)cc3)[nH]c2n(CCC)c1=O,0.01
|
| 32 |
+
CSc1ccc(/C=c2\sc3ncnn3c2=O)cc1,0.02
|
| 33 |
+
CCOCCOCCN(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC(C)C,0.03
|
| 34 |
+
CN(C)c1ncnc2c1ncn2Cc1cccc(F)c1,0.07
|
| 35 |
+
CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Br)c(=O)nc1SCc1ccc(F)cc1,0.04
|
| 36 |
+
CCCCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,0.0
|
| 37 |
+
NC(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,0.02
|
| 38 |
+
CNC(=O)[C@H](C)CN(C)Cc1cc(=O)n2cccc(C)c2[nH+]1,0.02
|
| 39 |
+
CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)C(=O)N1Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1,0.04
|
| 40 |
+
O=C(NC(Cc1ccccc1)C(=O)CCC(=O)N1CCCC1C(=O)O)c1ccccc1,0.0
|
| 41 |
+
O=C1c2ccc(OCc3ccccn3)cc2CCC1CCN1CCC(c2ccccc2)CC1,0.04
|
| 42 |
+
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(=O)O,0.03
|
| 43 |
+
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(=O)(=O)c1ccc(F)cc1)NS(C)(=O)=O,0.0
|
| 44 |
+
CCc1[nH]c(C(=O)OC)cc2c3ccccc3nc1-2,0.06
|
| 45 |
+
Cc1ccc2c(=O)oc(Nc3ccccc3Cl)nc2c1,0.07
|
| 46 |
+
COc1ccc([C@H](CNC(=O)c2cccc3ccccc23)[NH+]2CCCC2)cc1,0.02
|
| 47 |
+
CN(c1nc2ccccc2c(=O)o1)c1ccccc1I,0.01
|
| 48 |
+
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1,0.11
|
| 49 |
+
O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2cc3ccccc3cc2O1,0.01
|
| 50 |
+
Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc3ccccc23)c1,0.0
|
| 51 |
+
CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(C)c(=O)nc1SCc1ccc(F)cc1,0.02
|
| 52 |
+
CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](Cc3cn(-c4ccc(F)cc4)nn3)[C@H]2S1(=O)=O,0.03
|
| 53 |
+
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,0.0
|
| 54 |
+
COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC,0.0
|
| 55 |
+
O=P(O)(O)C(Cc1ccccc1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1,0.04
|
| 56 |
+
C=C(NC(=O)C1CC1(C)C)C(=O)O,0.0
|
| 57 |
+
C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O,0.0
|
| 58 |
+
COc1ccc2cc(COC(=O)COc3ccccc3C#N)ccc2c1,0.01
|
| 59 |
+
CC12NC(C3CCCCC31)[C@H](O)c1ccccc12,0.01
|
| 60 |
+
C[C@@H]1CC[C@H]2[C@@H](C)C(CC(=O)CC3OC4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)C46OO5)OC3O[C@]4(C)CCC1C32OO4,0.0
|
| 61 |
+
O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1Cc2ccccc2O1,0.0
|
| 62 |
+
O=C(NC/C=C/c1ccccc1)c1cc2ccccc2[nH]1,0.02
|
| 63 |
+
Cc1nc(Br)ccc1NC(=O)NCc1cnn(C)c1,0.02
|
| 64 |
+
CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccccn1,0.01
|
| 65 |
+
CCN(CC)c1c(N[C@@H](Cc2ccc(-c3c(OC)cccc3OC)cc2)C(=O)O)c(=O)c1=O,0.0
|
| 66 |
+
c1ccc(-c2nc3c([nH]2)CCOc2ccccc2-3)cc1,0.07
|
| 67 |
+
CN1CCN(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,0.0
|
| 68 |
+
COc1ccc(/C=C(\C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O,0.02
|
| 69 |
+
C/C=C(\NC(=O)c1ccccc1)C(=O)O,0.01
|
| 70 |
+
COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc3c2CCc2ccccc2C3=O)cc1,0.02
|
| 71 |
+
N#Cc1ccc(O)c(C(=O)/C=C/c2cccc(/C=C/c3ccc4ccccc4n3)c2)c1,0.04
|
| 72 |
+
CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,0.01
|
| 73 |
+
COCCCNC(=O)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2,0.0
|
| 74 |
+
CN1CCN(Cc2cnn3ccccc23)CC1,0.0
|
| 75 |
+
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1,0.02
|
| 76 |
+
COc1ccc(-c2ccc(S(=O)(=O)NC(CC#Cc3ccccc3)C(=O)O)cc2)cc1,0.0
|
| 77 |
+
COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,0.03
|
| 78 |
+
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(=O)(=O)c1ccccn1)NS(C)(=O)=O,0.01
|
| 79 |
+
O=C(O)COc1cccc2c1CCC(C/C=C/CC(c1ccccc1)c1ccccc1)C2,0.01
|
| 80 |
+
CCOC(=O)C1=C(O)C(=O)N([C@H](C)c2ccccc2)C1,0.0
|
| 81 |
+
C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,0.01
|
| 82 |
+
C=CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O,0.01
|
| 83 |
+
CCCCCCCCCCCCCCC1(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)CO1,0.07
|
| 84 |
+
CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)c1,0.0
|
| 85 |
+
COC(=O)C1=NN2C(=O)Nc3cc(Cl)ccc3C2C1,0.0
|
| 86 |
+
CCC[C@H]1Cc2cc3c(C(F)(F)F)cc(O)nc3cc2N[C@@H]1CC,0.03
|
| 87 |
+
NC(CCN[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1)C(=O)O,0.08
|
| 88 |
+
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSc1ccccn1)NS(C)(=O)=O,0.02
|
| 89 |
+
Oc1cc2c(cc1Sc1ccccc1)OCC2,0.02
|
| 90 |
+
Cn1c(=O)c2nc(-c3cccc(C(=O)O)c3)[nH]c2n(C)c1=O,0.01
|
| 91 |
+
O=C1C2=CCC[C@@]1(O)C#C/C=C\C#C[C@@H]2O,0.0
|
| 92 |
+
Clc1ccc(C2CC3CCC2N3)cn1,0.06
|
| 93 |
+
CCCNC(=O)Nc1cccc(-c2ccc(C[C@H](NS(=O)(=O)c3cc(Cl)ccc3OC)C(=O)O)cc2)c1,0.01
|
| 94 |
+
CC(C)(CNC(N)=O)NCC(O)COC(=O)c1ccccc1F,0.0
|
| 95 |
+
COc1cccc2c1CCC[C@H]2CN(CCc1ccc2c(c1)OCO2)C1CC1,0.0
|
| 96 |
+
CSc1cccc2sc(N3CCN(C(=O)c4ccn(C(C)C)n4)CC3)nc12,0.01
|
| 97 |
+
CC(C)[C@@H](C)CC(=O)NNC(=S)NC1CCCCC1,0.0
|
| 98 |
+
C1=C(c2cccnc2)C2CC[C@H](CC1)N2,0.0
|
| 99 |
+
COc1ccc(CCCN2CCC(C(O)CC(c3ccccc3)c3ccccc3)CC2)cc1,0.0
|
| 100 |
+
COc1ccc(Br)cc1/C=C/C(=O)N1CCN(C(=O)c2ccccc2)CC1,0.01
|
| 101 |
+
c1ccc2c(c1)[nH]c1cnccc12,0.0
|
| 102 |
+
CCC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O,0.0
|
| 103 |
+
C#CCN(Cc1cc2c(O)nc(C)nc2cc1C)c1ccc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)c(F)c1,0.07
|
| 104 |
+
C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCC(=O)NC(F)CC(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,0.02
|
| 105 |
+
CC1(C)Oc2ccc(C#N)cc2[C@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@H]1O,0.04
|
| 106 |
+
CC1=C[C@@H](C)[C@H]2C(=O)N([C@H](Cc3ccccc3)C(=O)[O-])C(=O)[C@H]2C1,0.0
|
| 107 |
+
COc1cccc(Nc2ccc(NC(C)=O)cc2)c1,0.01
|
| 108 |
+
CN(C)c1cccc(-n2c(NNC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c1,0.0
|
| 109 |
+
C[C@H](Cc1cccs1)N(C)C[C@@H]1CCCC[C@@H]1[NH3+],0.0
|
| 110 |
+
COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC,0.34
|
| 111 |
+
NS(=O)(=O)c1ccc(CCO)cc1,0.0
|
| 112 |
+
NC(=O)COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1,0.01
|
| 113 |
+
COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1ccc2c(n1)NCCC2,0.01
|
| 114 |
+
Cc1ccc2c(c1)c(C1=NCC3(CN4CCC3CC4)O1)cn2C,0.0
|
| 115 |
+
Nc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(N)cc3)N(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)C(=O)N2Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)cc1,0.05
|
| 116 |
+
CC1(C)CC1C(=O)N/C(=C\CCCSc1ncccc1O)C(=O)O,0.03
|
| 117 |
+
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2cccc(OC)c2C1,0.01
|
| 118 |
+
CCc1nnc2c(NC3CCCCC3)nc3ccccc3n12,0.0
|
| 119 |
+
CNC(=O)[C@@H]1CCCN(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)C1,0.03
|
| 120 |
+
C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,0.01
|
| 121 |
+
CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(C)c(=O)nc1SCc1ccc(F)cc1,0.03
|
| 122 |
+
N#Cc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,0.06
|
| 123 |
+
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OCC2(C)C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,0.02
|
| 124 |
+
NCCc1c[nH]c(CC(c2ccccc2)c2ccccc2)n1,0.02
|
| 125 |
+
CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,0.02
|
| 126 |
+
c1ccc(CCc2ccc(C3=C(Cc4ccccc4)c4ccccc4C4=NCCCN43)cc2)cc1,0.06
|
| 127 |
+
CCCCC1=C(c2ccc(C(C)(C)C)cc2)N2CCCN=C2c2ccccc21,0.02
|
| 128 |
+
C[C@H]1CN(C(=O)CC[C@H](C)c2ccccc2)C(C)(C)CO1,0.0
|
| 129 |
+
CCn1c(CC2CC[NH2+]CC2)nn(CCO)c1=O,0.03
|
| 130 |
+
CCCC1CCNc2cc3oc(=O)cc(C(F)(F)F)c3cc21,0.03
|
| 131 |
+
CCN(Cc1ccccc1)Cc1c(C(=O)N(CC)CC)nc2ccccc2c1-c1ccccc1,0.0
|
| 132 |
+
CN(C(=O)[C@H](CC#Cc1c[nH]cn1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,0.02
|
| 133 |
+
C=CCNC(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1,0.0
|
| 134 |
+
CC(C)[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)[O-],0.0
|
| 135 |
+
COc1ccc(S(=O)(=O)N2CN(C)C(=O)C[C@@H]2C(=O)NO)cc1,0.01
|
| 136 |
+
CC[S+]([O-])CCN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1,0.01
|
| 137 |
+
CCOC(=O)C1=C(O)C(=O)N(Cc2cccs2)C1,0.0
|
| 138 |
+
Fc1ccccc1N1CCNCC1,0.0
|
| 139 |
+
COc1ccc2c(c1)C1(C)N[C@@H]2CC2CCCCC21,0.0
|
| 140 |
+
C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCC(=O)N[C@@H](C)C(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,0.01
|
| 141 |
+
Nc1nc(N)c2nc(CCSc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1,0.01
|
| 142 |
+
CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1,0.0
|
| 143 |
+
CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2F)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,0.17
|
| 144 |
+
CCc1[nH]c(C(=O)OC)cc2c3cc(O)ccc3nc1-2,0.05
|
| 145 |
+
CNC(=O)c1cc(-c2ccncc2)nnc1Cl,0.01
|
| 146 |
+
C=C=CCN(C)C(C)Cc1ccccc1,0.0
|
| 147 |
+
NC1=NC(=O)[C@H](CC(=O)N2CC[C@H](c3ccccc3)C2)S1,0.0
|
| 148 |
+
Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(O)cc2)c1,0.07
|
| 149 |
+
O=C(O)COc1cccc2c1CCCC2CCC(=O)NN(c1ccccc1)c1cccnc1,0.0
|
| 150 |
+
O=c1cc(-c2ccc(O)cc2O)oc2cc(O)ccc12,0.13
|
| 151 |
+
CCCC(=O)NCCc1c2n(c3ccccc13)CCc1ccccc1-2,0.0
|