smiles
stringlengths 11
172
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41
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCOCCF
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC34CCC(CC3)(C(F)(F)F)C4
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCC[S](C)(=N)=O
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCOCCOCC3=CC=CC=C3
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3OCC(C)(C)OC3
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2B29106E7027950E_A35768C74E8E35C4_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=C(C=C(C=C3)Br)I
|
CF0135FBB7138519_0344CB71F6019930_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3C(F)(F)C34CC4
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E971FD425604FEEA_26FECD7FF7196BE0_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3CCC(CN3C)(F)F
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCCOCCCN
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5DCA849FCD26107D_EFDD1E9982CB5C38_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)C[C@H]4[C@@H]3C[C@@H]3[C@@H](N)C4
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26FC09B6DDC722D7_5809681DF1D269DB_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCN4C(=O)CC3=C(C=CC=C3)C4=O
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13ACF778746083F4_5B09F3FF051F0E1E_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=CN=C(Br)[NH]3
|
1213F3623690FA61_114DED0BA695D115_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=CC(=CN=C3)Cl
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B650C5CF6D9342C5_8DDB80FB952EB2A3_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCC(=O)CCC#C
|
0FE6A273FF4F58EC_85831EED1679EF95_6031_UN
| 21 |
O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCC(OC)CN
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635B02EE3AE79914_5DA4A720E2716E9B_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3(CN)COCC4COCCN34
|
F33748F141B95E59_F36D2299C5562AC6_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=C(C=C(OC)C=N3)F
|
D43A4876A004B4C4_F0168BEAAE7FB992_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3(CC)COCCN3
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DEB75BD5FE1BF0F8_A9F41CBEBB0DEE48_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(N)(C3CC3)C(F)(F)F
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D9409D7C383FC322_DC690E520CEE2F9B_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCC(C)N(C)C
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9B27FE79BB19EE63_0DFD0EA49C15464D_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(OCC(C)C)C
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4F991449B4099705_5F402A4A89A9E843_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCNC3CCCC4=C3[NH]C5=C4C=C(C=C5)C6=CC=CC=C6
|
64F52A0033F1FFAA_5D4305CF69536517_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)C[C@H]3CNCC(O3)(C)C
|
6274D9894D0FC5CF_77019E02CAAAE0C4_6031_DP
| 22 |
O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=C(C=C(OC)C=C3Cl)Cl
|
E93C79D0E4AF3CE4_F5AE744E29A39A5E_6031_UN
| 24 |
O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3(C)CCCC3(F)F
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493CD6F04D7153D6_45D32F33DBCD2966_6031_UN
| 22 |
O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC[C@H]3CNCC3
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0D57C1949E723FE3_DBC4F0E12B65F5AD_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)C[C@]3(COC[C@@H](C)N3C)CN
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1C830FD4746F0C77_EFFC0383E1B98158_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3(C)CN(C3)C4CCC4
|
9751C0902D069C77_D61E97B1862A5117_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC4=CC3=C(C=N[N]3C=C4)C#N
|
F2745CAF45D48CCC_5566F34EFC1EB611_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)C[C@H]3[C@@H](N)C4=C(C3)C=CC=C4
|
BF1DE1F5EF5A3A25_9471711D81ED3340_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)C[C@H]3NCC4(C3)CC4
|
D459703204F7FF61_CF15C69463E73292_6031_UN
| 21 |
O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=C(OCC(C)C)C=CC(=C3)Cl
|
37B40057BC656B93_CF06AC710C6358B8_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=NC=CO3
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E2489E3460CC606A_A8E7DB61A6DA6FB6_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCN3C(=O)NC(=O)C4=C3NC(NC4=O)=O
|
065DFADBD06E6727_D4C14421A1D84CE0_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(N3CCN(C)CC3)CCN
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387D243A05EB7F8D_671979E58E04BC46_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3NCCC4=C3C=C(C=C4)Br
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338A76F0FB8E7B46_3E5F935F95F8E47F_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCN[C@@H]3C[C@H]3C
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57257661DDEE66FB_C4FAFEDAC9B8FA11_6031_UN
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165317256886FC8A_D6A248B08D118AF7_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC4=CC3=C(C=CC=N3)S4
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B479C4EA79ABBA07_684B091A4A1E9990_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCN5CC3=C(C=CC=C3)C4(CC4)C5
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3B635B67EA29AC82_F76668E443E82E2B_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)C[C]3(CN)C[C]4(C3)C[C](C4)(F)F
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399CFCA73E042294_49D7756D139D8659_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCN(C)C(=O)CBr
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616889940E1D7A00_7B0246576E13DFFD_6031_UN
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3(OCC)CNC3
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E9190F3E4FE5B606_3E4FDA6C3631053D_6031_UN
| 21 |
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