mc_labels listlengths 18 18 | input stringlengths 5 167 | n_tokens int64 1 114 |
|---|---|---|
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[
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[
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[
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[
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[
324.150763628,
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[
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[
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[
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[
332.246378264,
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[
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[
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[
277.167793596,
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[
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[
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[
252.13615912,
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[
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[
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[
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[
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] | CCOc1ccc(-c2c(C)sc3ncn([C@H](CC)C(=O)OC)c(=O)c23)cc1 | 32 |
[
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[
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[
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[
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[
291.20591042,
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[
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] | COc1cc2nc(N3CCCC3)[nH]c(=NC3CCC(CN)CC3)c2cc1OC | 17 |
[
350.13002818399997,
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[
269.152812228,
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[
325.10808579999997,
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] | CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC(C(=O)O)CC1 | 26 |
[
291.16952491200004,
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[
427.077338892,
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[
301.179026976,
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[
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[
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[
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[
272.188863388,
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[
415.1168206439999,
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] | O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(-n3ccccc3=O)cc2)C(=O)O1 | 30 |
[
312.15862588,
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] | Cc1cccc(C(O)=NC2CCCN(c3ncccn3)C2)c1O | 14 |
[
184.19394876799998,
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] | CC[C@@H](C(C)C)N1CCC[C@H](N)C1 | 24 |
[
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[
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] | Fc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1.O=C(O)C(F)(F)F | 24 |
[
306.120212448,
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] | CC[C@H](C)N=C(O)CCc1nc(-c2ccc(F)cc2)cs1 | 25 |
[
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[
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[
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22,
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] | CCc1onc(C)c1C(O)=Nc1cccc(CC(=O)OC)c1 | 19 |
[
341.087492588,
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] | COc1ncccc1C(=O)OCc1cccc(OCC(F)(F)F)c1 | 17 |
[
394.21688970400004,
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3,
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] | CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 | 22 |
[
384.15460312,
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28,
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] | CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OCc1ccccc1[N+](=O)[O-] | 33 |
[
337.167793596,
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[
318.103813436,
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22,
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2,
0,
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0,
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] | CNS(=O)(=O)c1cccc(C(O)=Nc2ccc(C)cc2C)c1 | 23 |
[
227.126991404,
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16,
5,
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0,
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0,
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] | CNC[C@H](O)c1nc(OC)nc(OC)c1C | 18 |
[
384.12407021200005,
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3,
6,
27,
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1,
0,
1,
2,
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2,
1,
0,
1
] | CN(CC1(O)CCCC1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 | 24 |
[
298.168127944,
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22,
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0,
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2,
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2,
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] | CNC(=O)c1ccc(CN(CCCO)c2ccccc2)cc1 | 14 |
[
297.184112356,
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22,
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0,
1,
1,
2,
0,
0,
0
] | CN(C)CCN=C(O)C(Cc1ccncc1)c1ccccc1 | 15 |
[
189.151749608,
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1,
1,
2,
1,
14,
4,
0,
1,
0,
1,
1,
0,
1,
1,
0,
1
] | CC(NCc1ccccc1)C1(C)CC1 | 9 |
[
444.063459092,
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3,
11,
29,
4,
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0,
0,
0,
1,
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3,
0,
0,
0
] | Cc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)sc2[nH]c(CN(C)C)nc(=O)c12 | 42 |
[
358.142975816,
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5,
6,
27,
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0,
1,
1,
2,
2,
4,
0,
0,
0
] | c1ccc(CCOc2cncc3nnc(-c4ccc5c(c4)CCO5)n23)cc1 | 14 |
[
192.089877624,
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14,
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1,
0,
1,
0,
1,
1,
1,
0,
1
] | COC(C(=O)c1cnccn1)C1CC1 | 10 |
[
302.137890436,
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22,
4,
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0,
1,
1,
1,
1,
2,
0,
1,
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] | COC1(C(O)=Nc2cccc(-c3ncon3)c2)CCNCC1 | 15 |
[
468.169448384,
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32,
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1,
1,
2,
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0,
1,
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] | Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3cccc(C(F)(F)F)c3)CC2)cc1C | 38 |
[
178.090626572,
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1,
3,
13,
2,
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0,
0,
0,
1,
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0,
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] | CN(C)Cc1cc(C#N)ccc1F | 11 |
[
285.11873522800005,
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1,
1,
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0,
1,
1
] | C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cccs1 | 23 |
[
408.18492088,
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] | Cc1ccc(CN2CCN(C(=O)c3ccc(COc4ccc(F)cc4)o3)CC2)cc1 | 22 |
[
323.17461029200007,
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24,
4,
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0,
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1,
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3,
0,
0,
0
] | CN(C)C(=O)c1cccc(N(C)Cc2nc3ccccc3n2C)n1 | 18 |
[
290.07097202000006,
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20,
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2,
0,
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0,
0,
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] | COc1cc2c(c(-c3cc(Cl)ccc3OC)c1)OCC2 | 14 |
[
247.084457896,
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18,
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2,
0,
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] | COc1ccc(C(C[N+](=O)[O-])c2ccccc2)o1 | 21 |
[
338.163042564,
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] | CCCOc1ccccc1N=C(O)CN=C(O)C=Cc1ccccc1 | 15 |
[
433.07507142,
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2,
0,
1,
1
] | COc1ccc(C2C=C3CNS(=O)(=O)C3CC2OC(=O)c2ccc(Cl)cc2)cc1 | 25 |
[
353.977067404,
0.14285714285714285,
4,
1,
2,
6,
20,
4,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] | CCOc1ccc(C(O)=Nc2ccc(Br)cn2)cc1Cl | 14 |
[
315.023514516,
0.25,
6,
2,
2,
8,
20,
6,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] | CC(Cc1ccco1)NS(=O)(=O)c1ccc(C(=O)O)s1 | 23 |
[
221.141578848,
0.5384615384615384,
3,
1,
2,
3,
16,
3,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] | CCC1(c2ccccc2OC)CNCCO1 | 5 |
[
238.168127944,
0.6153846153846154,
4,
2,
1,
4,
17,
6,
0,
0,
0,
0,
0,
1,
1,
0,
0,
0
] | CNC(C)(C)C(O)=NC(C)CCc1ccco1 | 17 |
[
276.220163516,
0.6470588235294118,
3,
2,
2,
3,
20,
5,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] | CCC1CCCCN1C(c1ccccc1OC)C(C)N | 9 |
[
328.158706132,
0.3157894736842105,
4,
2,
3,
5,
24,
4,
0,
0,
1,
1,
2,
0,
2,
0,
1,
1
] | CC1(O)CCN(C(C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 | 22 |
[
358.181647068,
0.6875,
7,
1,
2,
9,
25,
4,
0,
0,
1,
1,
0,
1,
1,
0,
1,
1
] | CC(C)(C)OC(=O)N1CCCC(n2cc(C(O)=NCC(F)F)cn2)C1 | 30 |
[
359.19976242,
0.34782608695652173,
4,
3,
5,
4,
27,
2,
0,
1,
1,
2,
2,
1,
3,
0,
1,
1
] | N[C@@H]1c2ccccc2C2(CCN(Cc3ccc4ccccc4n3)CC2)[C@H]1O | 21 |
[
274.142975816,
0.5,
6,
1,
3,
6,
20,
3,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] | COC(=O)[C@@H](C)n1c([C@H]2CCCN2)nc2cccnc21 | 24 |
[
264.231396896,
0.7333333333333333,
4,
2,
1,
4,
19,
8,
0,
0,
0,
0,
0,
1,
1,
0,
0,
0
] | CCC(CC)N(CC(C)C)c1ncc(CCN)cn1 | 17 |
[
190.099379688,
0.3333333333333333,
2,
0,
2,
2,
14,
2,
0,
0,
1,
1,
1,
0,
1,
0,
0,
0
] | C=CC(C)(C)c1ccc2c(c1)OCO2 | 14 |
[
331.13390662399996,
0.3157894736842105,
3,
1,
2,
4,
23,
7,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] | CCN(Cc1ccccc1)C(=O)CCC(O)c1ccc(Cl)cc1 | 18 |
[
302.156517704,
0.4375,
4,
1,
3,
5,
21,
3,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] | Cc1sc(N2CCNCC2)nc1-c1ccc(N(C)C)cc1 | 15 |
[
402.06503111200004,
0.21052631578947367,
6,
1,
4,
8,
27,
4,
0,
0,
0,
0,
2,
2,
4,
0,
0,
0
] | Cc1nc2ccc(Cl)cc2n2c(-c3cc(OC[C@H](C)O)ccc3Cl)nnc12 | 23 |
[
342.115046816,
0.23529411764705882,
6,
2,
3,
7,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] | CC(O)=Nc1ccc(C)cc1NCc1cc(=O)n2c(C)csc2n1 | 19 |
[
258.184446704,
0.4666666666666667,
4,
1,
2,
4,
19,
5,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] | CCCn1c(C)nnc1CNc1cc(C)ccc1C | 9 |
[
300.183778008,
0.5,
4,
1,
3,
4,
22,
5,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] | COC[C@H]1CCCN1CCc1cc2c(C)cccc2c(O)n1 | 15 |
[
417.205241724,
0.32,
6,
0,
4,
6,
31,
5,
0,
0,
1,
1,
2,
1,
3,
0,
0,
0
] | Cc1nn(-c2ccccc2)c(C)c1CC(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 | 29 |
[
437.206304344,
0.4782608695652174,
9,
1,
6,
9,
32,
6,
0,
1,
2,
3,
1,
2,
3,
1,
2,
3
] | COc1nc(N2CC3CC(C2)C3C(=O)O)cc(-n2ncc3cc(C)c(OC(C)C)cc32)n1 | 31 |
[
330.194342692,
0.5263157894736842,
5,
1,
2,
5,
24,
5,
0,
0,
1,
1,
1,
0,
1,
0,
0,
0
] | Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCN=C(O)C2C)cc1 | 28 |
[
261.189277988,
0.6470588235294118,
1,
1,
3,
2,
19,
4,
0,
2,
0,
2,
1,
0,
1,
2,
0,
2
] | Cc1ccc(F)cc1CNC(C)C1CC2CCC1C2 | 9 |
[
255.18344366,
0.8571428571428571,
4,
2,
1,
4,
18,
6,
0,
1,
0,
1,
0,
0,
0,
1,
0,
1
] | C[C@H](N=C(O)CC(C)(C)CC(=O)O)C1CCCC1 | 28 |
[
302.0822054,
0.1875,
4,
1,
3,
5,
21,
3,
0,
0,
1,
1,
2,
0,
2,
0,
0,
0
] | COc1ccc(N2C(O)=NC[C@@H]2c2ccccc2Cl)cc1 | 17 |
[
361.09186884800005,
0.35294117647058826,
5,
2,
3,
7,
24,
5,
0,
0,
1,
1,
1,
1,
2,
0,
0,
0
] | CSC[C@@H](C)C(O)=Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 | 30 |
[
259.082013284,
0.3333333333333333,
3,
0,
1,
6,
18,
3,
0,
0,
0,
0,
1,
0,
1,
0,
0,
0
] | CCOC(=O)c1ccccc1N=C(C)C(F)(F)F | 19 |
[
378.24196158,
0.5652173913043478,
5,
1,
5,
5,
28,
3,
0,
2,
1,
3,
1,
1,
2,
1,
1,
2
] | Cc1cc(N2CCCC(N=C(O)C3CC34CCCc3ccccc34)C2)n(C)n1 | 19 |
[
352.005133288,
0.4166666666666667,
6,
2,
2,
9,
21,
4,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] | O=C(O)C1CCCCN1S(=O)(=O)Nc1c(Cl)cccc1Cl | 20 |
[
279.08079016,
0,
4,
2,
3,
5,
21,
2,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] | N#Cc1ccc(N=C(O)c2cccc3cc[nH]c23)c(F)c1 | 21 |
[
325.146012596,
0.7333333333333333,
6,
1,
3,
7,
22,
3,
0,
1,
1,
2,
0,
1,
1,
1,
1,
2
] | Cc1ncsc1CN(C)C(O)=NC1CCC2(CC1)OCCO2 | 14 |
[
306.157957184,
0.5,
6,
1,
2,
6,
22,
5,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] | C[C@H](Oc1ccccc1)C(O)=N[C@H](C)C(=O)N1CCOCC1 | 29 |
[
245.152812228,
0.35714285714285715,
4,
2,
2,
4,
18,
4,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] | CCc1cc(C(N)c2ccc(OC)cc2)n(C)n1 | 17 |
[
448.07627836,
0.35,
8,
1,
5,
10,
30,
6,
0,
0,
2,
2,
1,
2,
3,
0,
1,
1
] | O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2cccs2)oc1NC[C@@H]1CCCO1 | 27 |
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