difficulty stringclasses 1
value | original_esmiles stringlengths 17 654 | original_image_path stringlengths 99 99 | instruction stringlengths 22 995 | correct_smiles stringlengths 9 539 | scaffold_smiles_clean stringlengths 7 267 | output_image_path stringlengths 97 97 |
|---|---|---|---|---|---|---|
easy | C1(=C(*)C(*C(C(*)=O)(*)*)=CC(*)=C1*)N*<sep><a>2:NO2</a><a>4:L</a><a>7:Cy[3]</a><a>9:R[2]</a><a>10:R[1]</a><a>13:R[8]</a><a>15:R[7]</a><a>17:R[6]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\001736.png | Replace L with 4-fluorobenzyl, and R[2] with methylsulfonyl, and R[1] with phenyl, and R[8] with 4-fluorobenzyl, and R[7] with phenylsulfonyl, and R[6] with 4-fluorophenyl. | *C(=O)C(c1ccccc1)S(C)(=O)=O.*c1c(Cc2ccc(F)cc2)cc(Cc2ccc(F)cc2)c(S(=O)(=O)c2ccccc2)c1Nc1ccc(F)cc1 | C1(=C(*)C(*C(C(*)=O)(*)*)=CC(*)=C1*)N*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\001736.png |
easy | CCCCCCCC/C=C\CCCCCCCC(=O)NC1CC2CCC3C4CCC([C@H](C)CCC(=O)N(C*(CCOCCOCCOCCOCCC(=O)NC(COCCC(NCCOCCOCCOC5C(*)C(O)C(O)C(CO)O5)=O)(COCCC(=O)NCCOCCOCCOC5C(*)C(O)C(O)C(CO)O5)COCCC(=O)NCCOCCOCCOC5C(C(O)C(O)C(CO)O5)*)=O)CC(=O)NCCCCCC(=O)C5C[C@H](*)CC5CO*)C4(C)CCC3C2(C)CC1<sep><a>38:NH</a><a>74:AcHN</a><a>102:AcHN</a><a>137:AcHN<... | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\004493.png | Replace Y with 3,4-dichlorophenyl. | *C1C(OCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2*)(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2*)NC(=O)CCOCCOCCOCCOCC*(=O)CN(CC(=O)NCCCCCC(=O)C2C[C@H](*)CC2COc2ccc(Cl)c(Cl)c2)C(=O)CC[C@@H](C)C2CCC3C4CCC5CC(NC(=O)CCCCCCC/C=C\CCCCCCCC)CCC5(C)C4CCC32C)OC(CO)C(O)C1O | CCCCCCCC/C=C\CCCCCCCC(=O)NC1CC2CCC3C4CCC([C@H](C)CCC(=O)N(C*(CCOCCOCCOCCOCCC(=O)NC(COCCC(NCCOCCOCCOC5C(*)C(O)C(O)C(CO)O5)=O)(COCCC(=O)NCCOCCOCCOC5C(*)C(O)C(O)C(CO)O5)COCCC(=O)NCCOCCOCCOC5C(C(O)C(O)C(CO)O5)*)=O)CC(=O)NCCCCCC(=O)C5C[C@H](*)CC5CO*)C4(C)CCC3C2(C)CC1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\004493.png |
easy | *O<sep><a>0:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\011797.png | Replace R with 4-methoxyphenyl. | COc1ccc(O)cc1 | *O<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\011797.png |
easy | C1(*)C=CC2N=CC(C#N)=CC2=C1*<sep><a>1:R[9]</a><a>13:Bpin[2]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\034686.png | Replace R[9] with phenylacetyl. | *C1=C2C=C(C#N)C=NC2C=CC1C(=O)Cc1ccccc1 | C1(*)C=CC2N=CC(C#N)=CC2=C1*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\034686.png |
easy | *c1c2c(cc3c(c2)C(*)CC(*)(*)N3*)[nH]c(=O)c1<sep><a>0:CF3</a><a>9:R[1]</a><a>12:R[2]</a><a>13:R[2]</a><a>15:NO2</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\028318.png | Replace R[1] with cyclohexyl, and R[2] with phenylsulfonyl. | *c1cc(=O)[nH]c2cc3c(cc12)C(C1CCCCC1)CC(*)(S(=O)(=O)c1ccccc1)N3* | *c1c2c(cc3c(c2)C(*)CC(*)(*)N3*)[nH]c(=O)c1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\028318.png |
easy | O=C(O*)**(*C1C(*)N(*)C1=O)(*)*<sep><a>3:R[10]</a><a>4:Y[n]</a><a>5:C?r</a><a>6:Z[p]</a><a>9:Ar[20]</a><a>11:Ar[30]</a><a>14:R[2]</a><a>15:R[3]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\020819.png | Replace R[10] with phenyl, and R[2] with 4-pyridyl, and R[3] with cyclopropyl. | *C1C(**(*C(=O)Oc2ccccc2)(c2ccncc2)C2CC2)C(=O)N1* | O=C(O*)**(*C1C(*)N(*)C1=O)(*)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\020819.png |
easy | COC(C(Br)*)=O<sep><a>5:X</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\037368.png | Replace X with 4-fluorophenyl. | COC(=O)C(Br)c1ccc(F)cc1 | COC(C(Br)*)=O<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\037368.png |
easy | *[C@H](CCOC)N(C)C<sep><a>0:R[4]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\045439.png | Replace R[4] with methylsulfonyl. | COCC[C@H](N(C)C)S(C)(=O)=O | *[C@H](CCOC)N(C)C<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\045439.png |
easy | *(**)OC1=CC=C2C(*N=C2*)=C1<sep><a>0:Alk</a><a>1:A</a><a>2:Het</a><a>9:Y</a><a>12:R[11]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\010233.png | Replace Y with 4-trifluoromethylphenyl, and R[11] with 4-trifluoromethylphenyl. | ***Oc1ccc(C(=N)c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)c1 | *(**)OC1=CC=C2C(*N=C2*)=C1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\010233.png |
easy | N=CN*<sep><a>3:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\054054.png | Replace R with 2-pyridyl. | N=CNc1ccncc1 | N=CN*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\054054.png |
easy | C1(*)C(*)=CC([C@@H](CNC2=C(C3NC4C(=CC(=CC=4C)N4CCC(NC(*)=O)CC4)N=3)C(=O)NC=C2)O)=CC=1*<sep><a>1:R[18]</a><a>3:R[16]</a><a>26:R[15]</a><a>39:R[17]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\030121.png | Replace R[18] with 4-trifluoromethylphenyl, and R[16] with 3-pyridyl, and R[15] with 3,4-dichlorophenyl, and R[17] with cyclohexyl. | Cc1cc(N2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc2nc(-c3c(NC[C@@H](O)c4cc(-c5cccnc5)c(-c5ccc(C(F)(F)F)cc5)c(C5CCCCC5)c4)cc[nH]c3=O)[nH]c12 | C1(*)C(*)=CC([C@@H](CNC2=C(C3NC4C(=CC(=CC=4C)N4CCC(NC(*)=O)CC4)N=3)C(=O)NC=C2)O)=CC=1*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\030121.png |
easy | O=C(C1C=CC(Br)=C(*)C=1)O<sep><a>8:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\040287.png | Replace R with cyclopentyl. | O=C(O)c1ccc(Br)c(C2CCCC2)c1 | O=C(C1C=CC(Br)=C(*)C=1)O<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\040287.png |
easy | *C1=*C2N=C(C(C3C=CC(OC4C=CC(C5C(C6C=CC=CC=6)=NC6=C(C(=*C(=*6)*)*)N=5)=CC=4)=CC=3)=NC=2C(*)=*1)C1C=CC=CC=1<sep><a>0:X[1]</a><a>2:Z</a><a>28:Z</a><a>30:Z</a><a>31:X[2]</a><a>32:X[1]</a><a>41:X[2]</a><a>42:Z</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\012860.png | Replace Z with 4-chlorophenyl. | *C=*c1nc(-c2ccccc2)c(-c2ccc(Oc3ccc(-c4nc5c(nc4-c4ccccc4)=*C(*)*C=5*)cc3)cc2)nc1C(*)c1ccc(Cl)cc1 | *C1=*C2N=C(C(C3C=CC(OC4C=CC(C5C(C6C=CC=CC=6)=NC6=C(C(=*C(=*6)*)*)N=5)=CC=4)=CC=3)=NC=2C(*)=*1)C1C=CC=CC=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\012860.png |
easy | N12N=C(*)C=CC1=NN=C2Cl<sep><a>3:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\054746.png | Replace R with cyclopropyl. | Clc1nnc2ccc(C3CC3)nn12 | N12N=C(*)C=CC1=NN=C2Cl<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\054746.png |
easy | *C1(C2NC3=C(C=2CC([C@@]2=NC(C4=CC=C(F)C=*4)=CN2)N1)C=CC=C3)*<sep><a>0:R[1]</a><a>18:X</a><a>26:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\014850.png | Replace R[1] with cyclohexyl, and X with 4-fluorophenyl, and R with 4-fluorophenyl. | FC(=CC=Cc1c[nH]c(C2Cc3c([nH]c4ccccc34)C(c3ccc(F)cc3)(C3CCCCC3)N2)n1)Cc1ccc(F)cc1 | *C1(C2NC3=C(C=2CC([C@@]2=NC(C4=CC=C(F)C=*4)=CN2)N1)C=CC=C3)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\014850.png |
easy | O=C(O)*<sep><a>3:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\024713.png | Replace R with 4-methylsulfonylphenyl. | CS(=O)(=O)c1ccc(C(=O)O)cc1 | O=C(O)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\024713.png |
easy | *C(=O)C#CCC(*)C(=O)*<sep><a>0:R[2]</a><a>7:Ar</a><a>10:D[ER]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\003607.png | Replace R[2] with cyclopropyl. | *C(=O)C(*)CC#CC(=O)C1CC1 | *C(=O)C#CCC(*)C(=O)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\003607.png |
easy | *C(*)NC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21<sep><a>0:R[1]</a><a>2:R[2]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\022013.png | Replace R[1] with phenylsulfonyl, and R[2] with cyclopropyl. | O=S(=O)(c1ccccc1)C(NC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21)C1CC1 | *C(*)NC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\022013.png |
easy | C1(*)C(C=O)=NC(*)=C(CO*)C=1*<sep><a>1:R[2]</a><a>7:R[1a]</a><a>11:TBDPS</a><a>13:Ar</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\033239.png | Replace R[2] with 4-fluorobenzyl. | *OCc1c(*)nc(C=O)c(Cc2ccc(F)cc2)c1* | C1(*)C(C=O)=NC(*)=C(CO*)C=1*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\033239.png |
easy | **C1*N(**)*=**=1<sep><a>0:A</a><a>1:CH2?a</a><a>3:W</a><a>5:CH[2]?r</a><a>6:Ar</a><a>7:Y</a><a>8:Z</a><a>9:Q</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\007454.png | Replace W with cyclohexyl, and Y with 4-chlorophenyl, and Z with 3-chlorophenyl. | **C(=*)C1CCCCC1.**Nc1ccc(Cl)cc1.Clc1ccccc1 | **C1*N(**)*=**=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\007454.png |
easy | [H]*[H]<sep><a>1:Y</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\033969.png | Replace Y with 3,4-dichlorophenyl. | Clc1ccccc1Cl.[H] | [H]*[H]<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\033969.png |
easy | N#CC1=CC=CC(CCN*)=C1<sep><a>10:X</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\029244.png | Replace X with 4-trifluoromethylphenyl. | N#Cc1cccc(CCNc2ccc(C(F)(F)F)cc2)c1 | N#CC1=CC=CC(CCN*)=C1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\029244.png |
easy | **C1C2NCC3=CC(F)=CN=C3OC(C)**(*)(*C(*C3C=NN(C=3N=2)C=1*)=O)*<sep><a>0:A</a><a>1:L[1]</a><a>16:D</a><a>17:C?m</a><a>18:R[4]</a><a>19:X[2]</a><a>21:X[3]</a><a>29:R[6]</a><a>31:R5</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\030321.png | Replace R[4] with 4-fluorophenyl, and R[6] with methylsulfonyl, and R5 with 4-methylsulfonylphenyl. | **c1c2nc3c(cnn3c1S(C)(=O)=O)*C(=O)**(c1ccc(F)cc1)(c1ccc(S(C)(=O)=O)cc1)*C(C)Oc1ncc(F)cc1CN2 | **C1C2NCC3=CC(F)=CN=C3OC(C)**(*)(*C(*C3C=NN(C=3N=2)C=1*)=O)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\030321.png |
easy | *CC1C2C(=CC=C(C=2)OC)C=CC=1<sep><a>0:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\049176.png | Replace R with phenyl. | COc1ccc2cccc(Cc3ccccc3)c2c1 | *CC1C2C(=CC=C(C=2)OC)C=CC=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\049176.png |
easy | N(*N(**)*)(*)*<sep><a>1:A</a><a>3:B</a><a>4:R[4]</a><a>5:R[3]</a><a>6:R[1]</a><a>7:R[2]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\047863.png | Replace R[4] with phenyl, and R[3] with benzyl, and R[1] with 2-pyridyl, and R[2] with benzoyl. | O=C(c1ccccc1)N(*N(*c1ccccc1)Cc1ccccc1)c1ccncc1 | N(*N(**)*)(*)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\047863.png |
easy | *C1CCN(C)CC1<sep><a>0:R15</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\030803.png | Replace R15 with benzoyl. | CN1CCC(C(=O)c2ccccc2)CC1 | *C1CCN(C)CC1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\030803.png |
easy | C(=O)c1c(-c2ccc(F)cc2)c2c([nH]1)CCN(*)C2=O<sep><a>17:R4</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\010719.png | Replace R4 with methylsulfonyl. | CS(=O)(=O)N1CCc2[nH]c(C=O)c(-c3ccc(F)cc3)c2C1=O | C(=O)c1c(-c2ccc(F)cc2)c2c([nH]1)CCN(*)C2=O<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\010719.png |
easy | *N(*)C1CCC(n2cnc(-c3ccc(F)cc3)c2-c2cnc(*C)nc2)CC1<sep><a>0:R[2]</a><a>2:R[1]</a><a>23:X</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\002562.png | Replace R[2] with 4-chlorophenyl, and R[1] with cyclopentyl, and X with 4-chlorobenzyl. | C.Fc1ccc(-c2ncn(C3CCC(N(c4ccc(Cl)cc4)C4CCCC4)CC3)c2-c2cnc(Cc3ccc(Cl)cc3)nc2)cc1 | *N(*)C1CCC(n2cnc(-c3ccc(F)cc3)c2-c2cnc(*C)nc2)CC1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\002562.png |
easy | *C([C@H]1OC2C(=CC=CC=2)C1)=O<sep><a>0:X</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\007531.png | Replace X with 4-chlorobenzyl. | O=C(Cc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2O1 | *C([C@H]1OC2C(=CC=CC=2)C1)=O<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\007531.png |
easy | C1C2CC3CC(CC(=O)NCCO*)(C2)CC1C3<sep><a>13:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\035438.png | Replace R with cyclohexyl. | O=C(CC12CC3CC(CC(C3)C1)C2)NCCOC1CCCCC1 | C1C2CC3CC(CC(=O)NCCO*)(C2)CC1C3<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\035438.png |
easy | C1=CC=C(CN2CC(*)C(C(=O)O*)C(*)C2)C=C1<sep><a>8:R[2]</a><a>13:E</a><a>15:R[1]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\040385.png | Replace R[2] with 4-fluorophenyl, and R[1] with 4-trifluoromethylphenyl. | *OC(=O)C1C(c2ccc(F)cc2)CN(Cc2ccccc2)CC1c1ccc(C(F)(F)F)cc1 | C1=CC=C(CN2CC(*)C(C(=O)O*)C(*)C2)C=C1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\040385.png |
easy | N12CCC*CC1=C(*)C(*)=N2<sep><a>4:Y</a><a>8:R[2]</a><a>10:R[b1]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\053689.png | Replace Y with 4-chlorobenzyl, and R[2] with benzoyl. | *c1nn(CCCCc2ccc(Cl)cc2)c(C)c1C(=O)c1ccccc1 | N12CCC*CC1=C(*)C(*)=N2<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\053689.png |
easy | *C1C(=*)S*2(SC(=*)C(*)=NS2)SN=1<sep><a>0:R</a><a>3:X</a><a>5:Zn</a><a>8:X</a><a>10:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\016823.png | Replace R with 3,4-dichlorophenyl, and X with 4-chlorobenzyl. | *C1=NS*2(SN=C(c3ccc(Cl)c(Cl)c3)C(Cc3ccc(Cl)cc3)S2)SC1=* | *C1C(=*)S*2(SC(=*)C(*)=NS2)SN=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\016823.png |
easy | ***<sep><a>0:CN</a><a>1:W</a><a>2:Cl</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\047364.png | Replace W with 3,4-dichlorophenyl. | *.*c1ccc(Cl)c(Cl)c1 | ***<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\047364.png |
easy | C1(*)C(*)=C(*)C(C(OC)=O)=C(C(*)=C(CO)*)C=1*<sep><a>1:R[7]</a><a>3:R[8]</a><a>5:R[9]</a><a>13:R[5-1]</a><a>17:R[4-1]</a><a>19:R[6]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\006322.png | Replace R[7] with 4-fluorophenyl, and R[8] with cyclopentyl, and R[9] with cyclopentyl, and R[6] with 4-chlorophenyl. | *C(CO)=C(*)c1c(C(=O)OC)c(C2CCCC2)c(C2CCCC2)c(-c2ccc(F)cc2)c1-c1ccc(Cl)cc1 | C1(*)C(*)=C(*)C(C(OC)=O)=C(C(*)=C(CO)*)C=1*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\006322.png |
easy | C=C*<sep><a>2:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\048430.png | Replace R with cyclopentyl. | C=CC1CCCC1 | C=C*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\048430.png |
easy | C1=C*C(*C2=C(*)C(*)=C(*)C(*)=C2*)=C1C<sep><a>2:X</a><a>4:M</a><a>7:R[1]</a><a>9:R[2]</a><a>11:R[3]</a><a>13:R[4]</a><a>15:R[5]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\019186.png | Replace X with 4-chlorobenzyl, and R[1] with 4-methylsulfonylphenyl, and R[2] with methylsulfonyl, and R[3] with 4-methylsulfonylphenyl, and R[4] with cyclohexyl, and R[5] with 4-fluorophenyl. | CC(C=CCc1ccc(Cl)cc1)=C*c1c(-c2ccc(F)cc2)c(C2CCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)c(S(C)(=O)=O)c1-c1ccc(S(C)(=O)=O)cc1 | C1=C*C(*C2=C(*)C(*)=C(*)C(*)=C2*)=C1C<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\019186.png |
easy | *CC(*)(*)/C(/O*)=[N+](\*)/*.[O-]*<sep><a>0:R[1]</a><a>3:R[5]</a><a>4:R[4]</a><a>7:T[f]</a><a>9:R[2]</a><a>10:R[3]</a><a>12:Tf</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\034186.png | Replace R[1] with cyclohexyl, and R[5] with 3,4-dichlorophenyl, and R[4] with benzoyl, and R[2] with 4-pyridyl, and R[3] with methylsulfonyl. | *OC(=[N+](c1ccncc1)S(C)(=O)=O)C(CC1CCCCC1)(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1.*[O-] | *CC(*)(*)/C(/O*)=[N+](\*)/*.[O-]*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\034186.png |
easy | C1CC(**)(*)CC(C(=O)O*)=C1O<sep><a>3:SO[2]</a><a>4:Ar[1]</a><a>5:Ar[2]</a><a>11:R[2]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\024143.png | Replace R[2] with benzyl. | **C1(*)CCC(O)=C(C(=O)OCc2ccccc2)C1 | C1CC(**)(*)CC(C(=O)O*)=C1O<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\024143.png |
easy | */C=C/C1C=C(*)N(C(*)=O)N=1<sep><a>0:Aryl</a><a>6:R'</a><a>9:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\048092.png | Replace R with 4-methylsulfonylphenyl. | */C=C/c1cc(*)n(C(=O)c2ccc(S(C)(=O)=O)cc2)n1 | */C=C/C1C=C(*)N(C(*)=O)N=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\048092.png |
easy | *O*C(=O)[N-]<sep><a>0:R[7]</a><a>2:A[3]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\044704.png | Replace R[7] with 4-chlorophenyl. | [N-]C(=O)*Oc1ccc(Cl)cc1 | *O*C(=O)[N-]<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\044704.png |
easy | *C1C(*)=C(*)C(N2N=NC(CN3C4C(=CC=CC=4)N=C3C3C=C(F)C=CC=3)=C2)=CC=1<sep><a>0:R3</a><a>3:R2</a><a>5:R1</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\013688.png | Replace R3 with cyclopropyl, and R2 with cyclopentyl, and R1 with 3-chlorophenyl. | Fc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccc(C4CC4)c(C4CCCC4)c3-c3cccc(Cl)c3)nn2)c1 | *C1C(*)=C(*)C(N2N=NC(CN3C4C(=CC=CC=4)N=C3C3C=C(F)C=CC=3)=C2)=CC=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\013688.png |
easy | **1CCC(OCC2*(C3C(*)=CC=CC=3*)=N*(*)C=2*)*C1<sep><a>0:Pg</a><a>1:X</a><a>8:W</a><a>11:R[1]</a><a>16:R[2]</a><a>18:U</a><a>19:R[3a]</a><a>21:R[3b]</a><a>22:CH[2]?q</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\040604.png | Replace X with 3-chlorophenyl, and W with phenylsulfonyl, and R[1] with 4-fluorobenzyl, and R[2] with phenylsulfonyl. | **(N)C(*)=C(COC(*C)CC)S(=O)(=O)c1ccccc1.*c1cccc(Cl)c1.O=S(=O)(c1ccccc1)c1cccc(Cc2ccc(F)cc2)c1 | **1CCC(OCC2*(C3C(*)=CC=CC=3*)=N*(*)C=2*)*C1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\040604.png |
easy | C1CN(C(**)=O)C(CN(*)*)C2C=C(*C1=2)*<sep><a>4:X</a><a>5:Ar</a><a>10:R2</a><a>11:R3</a><a>15:Z</a><a>17:R1</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\015319.png | Replace X with 4-fluorophenyl, and R2 with 4-chlorobenzyl, and R3 with 4-fluorophenyl, and Z with 4-trifluoromethylphenyl, and R1 with 4-methylphenyl. | *.Cc1ccc(C(=CC2=CCCN(C(=O)c3ccc(F)cc3)C2CN(Cc2ccc(Cl)cc2)c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)cc1 | C1CN(C(**)=O)C(CN(*)*)C2C=C(*C1=2)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\015319.png |
easy | *CC[C@H]1*[C@@H](C2*=*N3C(*)=NC(*)=NC3=2)[C@H]2OC(C)(C)O[C@H]12<sep><a>0:Ar</a><a>4:Y</a><a>7:Q[3]</a><a>8:Q[4]</a><a>11:R[3b]</a><a>14:R[4b]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\003679.png | Replace Y with 4-trifluoromethylphenyl. | *CC[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1OC(C)(C)O[C@@H]1[CH]c1*:*n2c(*)nc(*)nc12 | *CC[C@H]1*[C@@H](C2*=*N3C(*)=NC(*)=NC3=2)[C@H]2OC(C)(C)O[C@H]12<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\003679.png |
easy | *N1CCC(C2=CN(C3=CC=C(NC(=O)C4=CC=CC(C5=CC=NN5)=N4)C=C3)N=N2)CC1<sep><a>0:R[2]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\053244.png | Replace R[2] with methylsulfonyl. | CS(=O)(=O)N1CCC(c2cn(-c3ccc(NC(=O)c4cccc(-c5ccn[nH]5)n4)cc3)nn2)CC1 | *N1CCC(C2=CN(C3=CC=C(NC(=O)C4=CC=CC(C5=CC=NN5)=N4)C=C3)N=N2)CC1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\053244.png |
easy | C1(C(O)=C2C(C[C@@H]3C(C2=O)=C(O)[C@@]2(O)[C@H]([C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)C3)C(N=[NH2+])=C1)*.[B-](F)(F)(F)F<sep><a>32:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\030662.png | Replace R with cyclohexyl. | CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C(C5CCCCC5)C=C(N=[NH2+])C4C[C@H]3C[C@@H]12.F[B-](F)(F)F | C1(C(O)=C2C(C[C@@H]3C(C2=O)=C(O)[C@@]2(O)[C@H]([C@@H](C(=C(C2=O)C(=O)N)O)N(C)C)C3)C(N=[NH2+])=C1)*.[B-](F)(F)(F)F<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\030662.png |
easy | C1C=C(C2=NC=NC(NC3C(*)=CC(*)=C([N+]([O-])=O)C=3)=N2)C2N(*)C=CC=2C=1<sep><a>11:R[1]</a><a>14:R[2]</a><a>23:R[3]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\052545.png | Replace R[1] with 4-chlorobenzyl, and R[2] with phenyl, and R[3] with phenylacetyl. | O=C(Cc1ccccc1)n1ccc2cccc(-c3ncnc(Nc4cc([N+](=O)[O-])c(-c5ccccc5)cc4Cc4ccc(Cl)cc4)n3)c21 | C1C=C(C2=NC=NC(NC3C(*)=CC(*)=C([N+]([O-])=O)C=3)=N2)C2N(*)C=CC=2C=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\052545.png |
easy | Cc1ccc(-c2cc3cc(*)ccc3s2)cc1<sep><a>10:X</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\008356.png | Replace X with 3-chlorophenyl. | Cc1ccc(-c2cc3cc(-c4cccc(Cl)c4)ccc3s2)cc1 | Cc1ccc(-c2cc3cc(*)ccc3s2)cc1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\008356.png |
easy | *C(**)C#N<sep><a>0:R[4]</a><a>2:S</a><a>3:Ar</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\045300.png | Replace R[4] with 2-pyridyl. | **C(C#N)c1ccncc1 | *C(**)C#N<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\045300.png |
easy | *c1ccc2nnc(*c3ccc4nc(N*)*c4c3)n2n1<sep><a>0:R[a]</a><a>8:X</a><a>16:W</a><a>17:A</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\029786.png | Replace X with 3,4-dichlorophenyl, and W with 4-chlorophenyl. | *c1ccc2nnc(-c3ccc(Cl)c(Cl)c3)n2n1.Clc1ccc(Nc2*c3ccccc3n2)cc1 | *c1ccc2nnc(*c3ccc4nc(N*)*c4c3)n2n1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\029786.png |
easy | *C1C=CC2C(=O)N(C3(CCC(=O)NC3=O)*)C(C)=NC=2C=1<sep><a>0:RO</a><a>16:X</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\045241.png | Replace X with 4-trifluoromethylphenyl. | *c1ccc2c(=O)n(C3(c4ccc(C(F)(F)F)cc4)CCC(=O)NC3=O)c(C)nc2c1 | *C1C=CC2C(=O)N(C3(CCC(=O)NC3=O)*)C(C)=NC=2C=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\045241.png |
easy | *C(=CC(=O)OC)N1CCCC1<sep><a>0:R[2]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\020636.png | Replace R[2] with methylsulfonyl. | COC(=O)C=C(N1CCCC1)S(C)(=O)=O | *C(=CC(=O)OC)N1CCCC1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\020636.png |
easy | C1(C(*)C2(CO2)CCC1O*)*<sep><a>2:R</a><a>10:R1c</a><a>11:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\008791.png | Replace R with 4-methoxyphenyl. | *OC1CCC2(CO2)C(*)C1c1ccc(OC)cc1 | C1(C(*)C2(CO2)CCC1O*)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\008791.png |
easy | C1(=O)N(*)C(=O)N([C@@H]2[C@@H](O*)[C@@H](O*)[C@H]([C@H]3C(C(=O)OCC)(C(=O)OCC)NC(=O)O3)O2)C=C1<sep><a>3:BOM</a><a>10:R</a><a>13:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\050672.png | Replace R with 4-methoxyphenyl. | *O[C@H]1[C@@H](Oc2ccc(OC)cc2)[C@H]([C@@H]2OC(=O)NC2(C(=O)OCC)C(=O)OCC)O[C@@H]1n1ccc(=O)n(*)c1=O | C1(=O)N(*)C(=O)N([C@@H]2[C@@H](O*)[C@@H](O*)[C@H]([C@H]3C(C(=O)OCC)(C(=O)OCC)NC(=O)O3)O2)C=C1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\050672.png |
easy | *C1*C(*)C2C(=NC(=C(N=2)C2C=CC(C3C(C4C=CC=CC=4)=NC4=C(*C(*C4*)*)N=3)=CC=2)C2C=CC=CC=2)*1<sep><a>0:X[1]</a><a>2:Z</a><a>4:X[2]</a><a>26:Z</a><a>28:Z</a><a>30:X[2]</a><a>31:X[1]</a><a>41:Z</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\054024.png | Replace Z with 3-chlorophenyl. | *C*C(*)c1nc(-c2ccc(-c3nc4c(nc3-c3ccccc3)C(*)*C(*)*4)cc2)c(-c2ccccc2)nc1-c1cccc(Cl)c1 | *C1*C(*)C2C(=NC(=C(N=2)C2C=CC(C3C(C4C=CC=CC=4)=NC4=C(*C(*C4*)*)N=3)=CC=2)C2C=CC=CC=2)*1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\054024.png |
easy | C1(*)=*C(*)=C(N)C=C1NC1*=C(*2**C*3*****32)**N=1<sep><a>1:R[2]</a><a>2:Z</a><a>4:R[3]</a><a>11:E[3]</a><a>13:X[1]</a><a>14:X[2]</a><a>15:X[3]</a><a>17:X[4]</a><a>18:X[6]</a><a>19:X[7]</a><a>20:X[8]</a><a>21:X[9]</a><a>22:X[5]</a><a>23:E[1]</a><a>24:E[2]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\020486.png | Replace R[2] with 4-trifluoromethylphenyl, and Z with 3,4-dichlorophenyl, and R[3] with 4-methoxyphenyl. | COc1ccc(C=C(N)C=C(NC2=N**C(*3**C*4*****43)=*2)C(c2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)cc1 | C1(*)=*C(*)=C(N)C=C1NC1*=C(*2**C*3*****32)**N=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\020486.png |
easy | *C(C(N(C(C(*)=O)(*)*)*)=O)*<sep><a>0:X</a><a>6:R[6]</a><a>8:R[5]</a><a>9:R[7]</a><a>10:R[4]</a><a>12:R[3]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\029216.png | Replace X with 4-fluorophenyl, and R[6] with 4-chlorobenzyl, and R[5] with 3-chlorophenyl, and R[7] with 4-methylphenyl, and R[4] with 4-pyridyl, and R[3] with methylsulfonyl. | Cc1ccc(C(C(=O)Cc2ccc(Cl)cc2)(c2cccc(Cl)c2)N(C(=O)C(c2ccc(F)cc2)S(C)(=O)=O)c2ccncc2)cc1 | *C(C(N(C(C(*)=O)(*)*)*)=O)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\029216.png |
easy | */C(=C(\***)/*)/*<sep><a>0:R[7]</a><a>3:Z</a><a>4:Y</a><a>5:R</a><a>6:R[8]</a><a>7:R[6]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\015329.png | Replace R[7] with 4-fluorobenzyl, and Z with 3,4-dichlorophenyl, and Y with 3,4-dichlorophenyl, and R with 4-methylphenyl, and R[8] with 4-methylsulfonylphenyl, and R[6] with phenylacetyl. | CS(=O)(=O)c1ccc(C(=C(Cc2ccc(F)cc2)C(=O)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)cc1.Cc1ccccc1.Clc1ccccc1Cl | */C(=C(\***)/*)/*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\015329.png |
easy | *N(C1C=CC=CC=1)*<sep><a>0:X</a><a>8:CH3</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\050402.png | Replace X with 4-chlorobenzyl. | *N(Cc1ccc(Cl)cc1)c1ccccc1 | *N(C1C=CC=CC=1)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\050402.png |
easy | *C1=C(Br)C(=O)NC1=O<sep><a>0:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\025664.png | Replace R with 4-fluorobenzyl. | O=C1NC(=O)C(Cc2ccc(F)cc2)=C1Br | *C1=C(Br)C(=O)NC1=O<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\025664.png |
easy | C***C<sep><a>1:X[1]</a><a>2:Y</a><a>3:X[2]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\012824.png | Replace Y with 4-chlorophenyl. | *C.C*c1ccc(Cl)cc1 | C***C<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\012824.png |
easy | *CCc1ccc(COc2cccc(*)c2)cc1*<sep><a>0:COOMe</a><a>14:CN</a><a>18:Y</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\010138.png | Replace Y with 4-fluorophenyl. | *CCc1ccc(COc2cccc(*)c2)cc1-c1ccc(F)cc1 | *CCc1ccc(COc2cccc(*)c2)cc1*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\010138.png |
easy | *C#C[H]<sep><a>0:R2</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\010619.png | Replace R2 with 4-chlorophenyl. | C#Cc1ccc(Cl)cc1 | *C#C[H]<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\010619.png |
easy | *C(O*CC(*OC(=O)*)(*OC(*)=O)OC)=O<sep><a>0:R[11]</a><a>3:CH[2]</a><a>6:CH[2]</a><a>10:R[13]</a><a>11:CH[2]</a><a>14:R[12]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\020290.png | Replace R[11] with phenyl, and R[13] with 4-methylphenyl, and R[12] with 4-chlorobenzyl. | COC(*OC(=O)Cc1ccc(Cl)cc1)(*OC(=O)c1ccc(C)cc1)C*OC(=O)c1ccccc1 | *C(O*CC(*OC(=O)*)(*OC(*)=O)OC)=O<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\020290.png |
easy | *C1=CC=CC=C1C(=O)NC1=CC=CC=C1<sep><a>0:X</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\001273.png | Replace X with 3,4-dichlorophenyl. | O=C(Nc1ccccc1)c1ccccc1-c1ccc(Cl)c(Cl)c1 | *C1=CC=CC=C1C(=O)NC1=CC=CC=C1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\001273.png |
easy | C=CCC[C@@](CO*)(O)C(C)C<sep><a>7:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\044171.png | Replace R with phenyl. | C=CCC[C@](O)(COc1ccccc1)C(C)C | C=CCC[C@@](CO*)(O)C(C)C<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\044171.png |
easy | *OCC1C2=C(*)C(=O)C=C(*)C2(*)[C@H]2CCC3(C)C(O*)C(*)C[C@H]3[C@H]2C1*<sep><a>0:R[5]</a><a>6:R[2]</a><a>11:R[1]</a><a>13:R[8]</a><a>21:R[6]</a><a>23:R[4]</a><a>28:R[3]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\051358.png | Replace R[5] with 4-methylphenyl, and R[2] with methylsulfonyl, and R[1] with benzyl, and R[8] with 4-fluorophenyl, and R[6] with benzoyl, and R[4] with 3-pyridyl, and R[3] with phenylsulfonyl. | Cc1ccc(OCC2C3=C(S(C)(=O)=O)C(=O)C=C(Cc4ccccc4)C3(c3ccc(F)cc3)[C@H]3CCC4(C)C(OC(=O)c5ccccc5)C(c5cccnc5)C[C@H]4[C@H]3C2S(=O)(=O)c2ccccc2)cc1 | *OCC1C2=C(*)C(=O)C=C(*)C2(*)[C@H]2CCC3(C)C(O*)C(*)C[C@H]3[C@H]2C1*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\051358.png |
easy | **C1=*C(C(F)(F)F)=NC(*)=*1.C1(C2CC2)N=C(*)*=C(**)*=1.C1(CC)N=C(*)*=C(**)*=1<sep><a>0:R[5]</a><a>1:Y</a><a>3:Z</a><a>11:R[6]</a><a>12:X</a><a>19:R[6]</a><a>20:X</a><a>22:Y</a><a>23:R[5]</a><a>24:Z</a><a>30:R[6]</a><a>31:X</a><a>33:Y</a><a>34:R[5]</a><a>35:Z</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\045965.png | Replace R[5] with 4-chlorobenzyl, and Y with 4-trifluoromethylphenyl, and Z with 4-trifluoromethylphenyl, and R[6] with 4-trifluoromethylphenyl, and X with 4-fluorobenzyl. | **C1*C(C(F)(F)F)=NC(*)=*1.**C1*C(C2CC2)=NC(*)=*1.CCCN=C(Cc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1.Cc1ccc(Cl)cc1.FC(F)(F)c1ccc(Cc2ccc(C(F)(F)F)cc2)cc1 | **C1=*C(C(F)(F)F)=NC(*)=*1.C1(C2CC2)N=C(*)*=C(**)*=1.C1(CC)N=C(*)*=C(**)*=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\045965.png |
easy | C1(C2*=*C=CC=2)=NC2C(=**=**=2)N1*.C**<sep><a>2:W</a><a>3:X</a><a>10:Q[4]</a><a>11:Q[3]</a><a>12:Q[2]</a><a>13:Q[1]</a><a>15:R[2]</a><a>17:</a><a>18:R[1]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\048156.png | Replace W with 4-methoxyphenyl, and X with 4-chlorophenyl, and R[2] with 3-pyridyl, and R[1] with cyclopropyl. | C*C1CC1.C=CC=C(c1ccc(OC)cc1)c1nc2*:*:*:*c2n1-c1cccnc1.Clc1ccccc1 | C1(C2*=*C=CC=2)=NC2C(=**=**=2)N1*.C**<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\048156.png |
easy | C1(F)=CC=C(C2N=CN(C3CCC(*)CC3)C=2C2C=CN=C(S*)N=2)C=C1<sep><a>13:NHOH</a><a>23:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\042503.png | Replace R with 4-methylphenyl. | *C1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Sc3ccc(C)cc3)n2)CC1 | C1(F)=CC=C(C2N=CN(C3CCC(*)CC3)C=2C2C=CN=C(S*)N=2)C=C1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\042503.png |
easy | N/C(/N(*)*)=N\C1=NC(C2N=C(*)**=2)=CS1<sep><a>3:R[1]</a><a>4:R2</a><a>12:R[4]</a><a>13:X</a><a>14:Y</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\022941.png | Replace R[1] with 3-pyridyl, and R2 with 4-fluorophenyl, and R[4] with benzoyl, and X with 3-chlorophenyl, and Y with 4-trifluoromethylphenyl. | FC(F)(F)c1ccccc1.N/C(=N\c1nc(CN=C(C(=O)c2ccccc2)c2cccc(Cl)c2)cs1)N(c1ccc(F)cc1)c1cccnc1 | N/C(/N(*)*)=N\C1=NC(C2N=C(*)**=2)=CS1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\022941.png |
easy | OC1C=CC(*)=CC=1<sep><a>5:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\052315.png | Replace R with 4-trifluoromethylphenyl. | Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 | OC1C=CC(*)=CC=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\052315.png |
easy | *OC1C(*)=CC=CC=1Br<sep><a>0:R[8]</a><a>4:NO2</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\030416.png | Replace R[8] with benzyl. | *c1cccc(Br)c1OCc1ccccc1 | *OC1C(*)=CC=CC=1Br<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\030416.png |
easy | N1=CN=C2N(*)*=C(*)C2=C1N(*)*<sep><a>5:R[4]</a><a>6:A</a><a>8:R[1]</a><a>12:R[2]</a><a>13:R[3]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\001353.png | Replace R[4] with cyclopentyl, and R[1] with 3-pyridyl, and R[2] with cyclopentyl, and R[3] with phenylacetyl. | O=C(Cc1ccccc1)N(c1ncnc2c1c(-c1cccnc1)*n2C1CCCC1)C1CCCC1 | N1=CN=C2N(*)*=C(*)C2=C1N(*)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\001353.png |
easy | [2H]C([2H])(N)C1**=C(S(=O)*)*=1<sep><a>5:X</a><a>6:W</a><a>10:R</a><a>11:Y</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\056322.png | Replace X with 4-chlorophenyl, and W with phenylsulfonyl, and R with 3-chlorophenyl, and Y with 4-fluorophenyl. | O=S(Cc1ccc(F)cc1)c1cccc(Cl)c1.O=[SH](=O)c1ccccc1.[2H]C([2H])(N)Cc1ccc(Cl)cc1 | [2H]C([2H])(N)C1**=C(S(=O)*)*=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\056322.png |
easy | C1CCC(*N(*)*)CC1C<sep><a>4:CH[2]?r</a><a>6:R[6]</a><a>7:R[7]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\034821.png | Replace R[6] with 4-chlorobenzyl, and R[7] with 4-fluorophenyl. | CC1CCCC(*N(Cc2ccc(Cl)cc2)c2ccc(F)cc2)C1 | C1CCC(*N(*)*)CC1C<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\034821.png |
easy | C12C(N)C(=O)N1C(C(O*)=O)C(C)=CS2*<sep><a>9:R[2]</a><a>15:</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\023764.png | Replace R[2] with 4-chlorobenzyl. | *[SH]1C=C(C)C(C(=O)OCc2ccc(Cl)cc2)N2C(=O)C(N)C21 | C12C(N)C(=O)N1C(C(O*)=O)C(C)=CS2*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\023764.png |
easy | *N(*)**(C(**=O)*)*.C*<sep><a>0:SO[2]</a><a>2:R[2]</a><a>3:C</a><a>4:Q</a><a>6:C</a><a>7:R'</a><a>9:R[5]</a><a>10:R[3]</a><a>12:R[1]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\030644.png | Replace R[2] with 4-chlorophenyl, and R[5] with 4-fluorophenyl, and R[3] with 4-chlorophenyl, and R[1] with 2-pyridyl. | *N(**(c1ccc(Cl)cc1)C(**=O)c1ccc(F)cc1)c1ccc(Cl)cc1.Cc1ccncc1 | *N(*)**(C(**=O)*)*.C*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\030644.png |
easy | *(N(*)*)C1(C(=O)N**)C2=CC=CC=C2*C2=CC=CC=C12<sep><a>0:CH2?n</a><a>2:R[a]</a><a>3:R[b]</a><a>8:L[2]</a><a>9:R[2]</a><a>16:X</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\012264.png | Replace R[2] with 4-chlorobenzyl, and X with 4-fluorophenyl. | *N(*)*C(C(=O)N*Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1-c1ccc(F)cc1 | *(N(*)*)C1(C(=O)N**)C2=CC=CC=C2*C2=CC=CC=C12<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\012264.png |
easy | *C1=CC=C(N2C(=*)C(*)(*)N(C3=CC=C(O)*=C3)C2=*)C=C1*<sep><a>0:R[4]</a><a>7:R</a><a>9:Z[1]</a><a>10:Z[2]</a><a>17:A</a><a>20:R</a><a>23:R[5]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\022953.png | Replace R[4] with 3-chlorophenyl, and R with 4-methoxyphenyl, and R[5] with phenylacetyl. | *C1(*)C(=*)N(c2ccc(-c3cccc(Cl)c3)c(C(=O)Cc3ccccc3)c2)C(c2ccc(OC)cc2)N1c1c*c(O)cc1 | *C1=CC=C(N2C(=*)C(*)(*)N(C3=CC=C(O)*=C3)C2=*)C=C1*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\022953.png |
easy | *[Si](*)(*)*<sep><a>0:R[4]</a><a>2:R[5]</a><a>3:R[4]</a><a>4:CN</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\015859.png | Replace R[4] with 2-pyridyl, and R[5] with 4-methylsulfonylphenyl. | *[Si](*)(c1ccncc1)c1ccc(S(C)(=O)=O)cc1 | *[Si](*)(*)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\015859.png |
easy | O(*)CC1C(S[Au]=P(*)(*)*)C(O*)C(O*)C(O*)O1<sep><a>1:R</a><a>8:R[1]</a><a>9:R[1]</a><a>10:R[1]</a><a>13:R</a><a>16:R</a><a>19:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\046490.png | Replace R with benzyl, and R[1] with 4-methylsulfonylphenyl. | *OCC1OC(OCc2ccccc2)C(O*)C(O*)C1[S][Au]=[P](*)(*)c1ccc(S(C)(=O)=O)cc1 | O(*)CC1C(S[Au]=P(*)(*)*)C(O*)C(O*)C(O*)O1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\046490.png |
easy | *c1cc(Br)cc2c1*CC2(*)*<sep><a>0:R[1]</a><a>8:X</a><a>11:R[3]</a><a>12:R[2]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\004397.png | Replace R[1] with cyclopropyl, and X with 4-chlorophenyl, and R[3] with phenylsulfonyl, and R[2] with 4-methylsulfonylphenyl. | CC(c1ccc(S(C)(=O)=O)cc1)(c1cc(Br)cc(C2CC2)c1-c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 | *c1cc(Br)cc2c1*CC2(*)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\004397.png |
easy | ***O*NCC(C)(C)O<sep><a>0:Ar[1]</a><a>1:Q</a><a>2:Ar[2]</a><a>4:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\051705.png | Replace R with 4-chlorobenzyl. | ***OCc1ccc(Cl)cc1.CC(C)(O)CN | ***O*NCC(C)(C)O<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\051705.png |
easy | C12N=C(*)C(*)=C(*)C=1C1=C(C(=C(S1)*)*)N2*<sep><a>3:R[2]</a><a>5:R[a1]</a><a>7:R[a2]</a><a>14:R[a3]</a><a>15:R[a4]</a><a>17:R[1]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\011468.png | Replace R[2] with 4-chlorophenyl, and R[1] with cyclopentyl. | *c1sc2c3c(*)c(*)c(-c4ccc(Cl)cc4)nc3n(C3CCCC3)c2c1* | C12N=C(*)C(*)=C(*)C=1C1=C(C(=C(S1)*)*)N2*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\011468.png |
easy | C1(*)C=CN=C(*)*=1<sep><a>1:X</a><a>6:SMe</a><a>7:Y</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\027129.png | Replace X with 4-chlorophenyl, and Y with 4-chlorophenyl. | *C(=NC=CCc1ccc(Cl)cc1)c1ccc(Cl)cc1 | C1(*)C=CN=C(*)*=1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\027129.png |
easy | N1(C(C2C=CC(*)=C(*)C=2)*)C=NC=C1<sep><a>6:R[9]</a><a>8:R[8]</a><a>10:R[1]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\051715.png | Replace R[9] with 3,4-dichlorophenyl, and R[8] with 4-pyridyl, and R[1] with benzoyl. | O=C(c1ccccc1)C(c1ccc(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)c1)n1ccnc1 | N1(C(C2C=CC(*)=C(*)C=2)*)C=NC=C1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\051715.png |
easy | *C(C)=CC(=O)O<sep><a>0:R[8]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\033822.png | Replace R[8] with cyclohexyl. | CC(=CC(=O)O)C1CCCCC1 | *C(C)=CC(=O)O<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\033822.png |
easy | CC1(C)OB([C@H]2C[C@@H]2*)OC1(C)C<sep><a>8:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\042210.png | Replace R with phenylsulfonyl. | CC1(C)OB([C@H]2C[C@H]2S(=O)(=O)c2ccccc2)OC1(C)C | CC1(C)OB([C@H]2C[C@@H]2*)OC1(C)C<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\042210.png |
easy | *C1=C(*)C(*)=C(CN2C=NC=C2C(C(C(=O)OC)*)*)C(*)=C1*<sep><a>0:R[3]</a><a>3:R[4]</a><a>5:R[5]</a><a>19:R[6]</a><a>20:R[7]</a><a>22:R[1]</a><a>24:R[2]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\030895.png | Replace R[3] with cyclohexyl, and R[4] with 4-methoxyphenyl, and R[5] with 4-chlorophenyl, and R[6] with 3,4-dichlorophenyl, and R[7] with 3-chlorophenyl, and R[1] with phenylsulfonyl, and R[2] with 4-chlorophenyl. | COC(=O)C(c1ccc(Cl)c(Cl)c1)C(c1cccc(Cl)c1)c1cncn1Cc1c(-c2ccc(Cl)cc2)c(-c2ccc(OC)cc2)c(C2CCCCC2)c(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1 | *C1=C(*)C(*)=C(CN2C=NC=C2C(C(C(=O)OC)*)*)C(*)=C1*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\030895.png |
easy | *N(*)CC<sep><a>0:R[18]</a><a>2:R[19]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\054870.png | Replace R[18] with cyclohexyl, and R[19] with phenyl. | CCN(c1ccccc1)C1CCCCC1 | *N(*)CC<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\054870.png |
easy | COC1=CC(OC)=C(C2=NC(*)=NC(*)=C2)C=C1OC<sep><a>11:R</a><a>14:Ar</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\007457.png | Replace R with 4-fluorobenzyl. | *c1cc(-c2cc(OC)c(OC)cc2OC)nc(Cc2ccc(F)cc2)n1 | COC1=CC(OC)=C(C2=NC(*)=NC(*)=C2)C=C1OC<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\007457.png |
easy | *C[C@@]1(CC(=O)N(C(*)C(C)=O)C1=O)N(C)*<sep><a>0:R[45]</a><a>8:R[44]</a><a>16:R[20]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\003914.png | Replace R[45] with 3-chlorophenyl, and R[44] with benzyl, and R[20] with phenyl. | CC(=O)C(Cc1ccccc1)N1C(=O)C[C@](Cc2cccc(Cl)c2)(N(C)c2ccccc2)C1=O | *C[C@@]1(CC(=O)N(C(*)C(C)=O)C1=O)N(C)*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\003914.png |
easy | C1=CC(C(O)=O)=C(/C(/*)=C/*)C=C1<sep><a>8:Ph</a><a>10:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\036406.png | Replace R with 4-chlorobenzyl. | *C(=CCc1ccc(Cl)cc1)c1ccccc1C(=O)O | C1=CC(C(O)=O)=C(/C(/*)=C/*)C=C1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\036406.png |
easy | N1(C(*)=C(*)N=N1)C1C(O*)CN(*)C1<sep><a>2:R[5]</a><a>4:R[4]</a><a>10:Ms</a><a>13:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\000151.png | Replace R[5] with phenylacetyl, and R[4] with phenyl, and R with benzoyl. | *OC1CN(C(=O)c2ccccc2)CC1n1nnc(-c2ccccc2)c1C(=O)Cc1ccccc1 | N1(C(*)=C(*)N=N1)C1C(O*)CN(*)C1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\000151.png |
easy | *N(*)c1cc(Cl)nc(N)n1<sep><a>0:R[3]</a><a>2:R[2]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\017245.png | Replace R[3] with benzyl, and R[2] with methylsulfonyl. | CS(=O)(=O)N(Cc1ccccc1)c1cc(Cl)nc(N)n1 | *N(*)c1cc(Cl)nc(N)n1<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\017245.png |
easy | C=CC1CC1*<sep><a>5:R</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\018482.png | Replace R with phenyl. | C=CC1CC1c1ccccc1 | C=CC1CC1*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\018482.png |
easy | **<sep><a>0:R[1]</a><a>1:X</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\023104.png | Replace R[1] with 3-pyridyl, and X with 3,4-dichlorophenyl. | Clc1ccc(-c2cccnc2)cc1Cl | **<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\023104.png |
easy | *c1cnc2[nH]ccc2c1*<sep><a>0:R[5]</a><a>10:R[4]</a> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\original_images\055831.png | Replace R[5] with 4-methylphenyl, and R[4] with cyclopropyl. | Cc1ccc(-c2cnc3[nH]ccc3c2C2CC2)cc1 | *c1cnc2[nH]ccc2c1*<sep> | D:/HuaweiMoveData/Users/David/Desktop/Moleditor/dataset/new/edit_dataset\output_images\055831.png |
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