smiles
stringlengths 11
172
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41
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int64 8
77
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| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CSC3=CC(=C(C(C)=O)C=C3)F)=O
|
E77E5DD570C4DEB6_6C80A06EA3E380C3_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CC4CCC3O4
|
3C6FF404838D3DA8_4F46BECD30783DF4_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F
|
044B9954AC9583D9_E2C3456B856A7A5C_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C([S](C)(=O)=O)O3)=O
|
80B9E4FB8A1454BF_1CC1A3BFCECE2618_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=NC=CC(=C3)OC)=O
|
AFB5F8F8F3E75CB4_14C420C249DE9385_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=NOC(=C3)CCC)=O
|
CA25CAAF6B4708E5_4FF1E80F065EC324_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCSCCCC)=O
|
E6EB3C053658E1C0_13F26DC2861C6AD8_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C(C3=CC(=CC(=C3O4)OC)C)C)=O
|
2CC343E187053084_FA73D281DD961948_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C[NH]3)[S](NCCOC)(=O)=O)=O
|
2B27307E0383F048_F5CAAE04174E3B79_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C[NH]3)[S](NCC(N)=O)(=O)=O)=O
|
21515E38F4BB13A9_A905431BA7E1B8A2_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CN3CCN(CC3)C4=NC=CC=C4
|
29152FE442E01447_6DD1E4B4C72F9B08_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCN3C(=O)CCC4=C3C=CC=C4
|
FE0DB0BEACD0A146_C0807425DD3A6591_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCN3C(=O)CCC4=C3C=CC(=C4)F
|
CA898B5225B231E9_2E95BC46C7088568_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=CO3)C(N)=O)=O
|
BE8D267358EA3073_AE5C1E6E396CA3AB_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C[N](CCC)N=C3)=O
|
942066E3E5B4ED86_4BB9766493B7B22E_6038_UN
| 26
|
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