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CO4.C4C6.O69.c19cc5ccn1.c15ccc8cc1.C1%108CC1.C7%10=O.O7C | [
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3,
6,
23,
4,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
CO7.C75=O.C158CC1.c18ccc9cc1.c19ccc6c(F)c1.c16nn[n-]n1 | [
337.1106274879101,
0.2222222222222222,
6,
0,
4,
7,
25,
4,
0,
1,
0,
1,
2,
1,
3,
1,
0,
1
] |
CO6.C65=O.C157CC1.c17ccc8cc1.c18ccc4cc1.O4S(C)(=O)=O | [
346.08749467599995,
0.2777777777777778,
5,
0,
3,
6,
24,
5,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
CO6.c16ccc5c9n1.C79=O.O7C.c15ccc8cc1.C1%108CC1.C4%10=O.O4C | [
341.126322708,
0.3157894736842105,
6,
0,
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25,
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1,
0,
1,
1,
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2,
1,
0,
1
] |
CO7.C75=O.C158CC1.c18ccc9cc1.c19cc6ccc1F.c16nn[n-]n1 | [
337.1106274879101,
0.2222222222222222,
6,
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25,
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0,
1,
2,
1,
3,
1,
0,
1
] |
CO7.C76=O.C168CC1.c18ccc9cc1.c19ccccc15.N15CC[NH2+]CC1 | [
337.1910544600901,
0.38095238095238093,
4,
2,
4,
4,
25,
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0,
1,
1,
2,
2,
0,
2,
1,
1,
2
] |
CO4.c14ccc7c8c1.C8(N)=O.c17ccc9cc1.C159CC1.C65=O.O6C | [
325.131408088,
0.2631578947368421,
5,
2,
3,
5,
24,
5,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
CO6.C6(=O)[C@H]8[NH3+].c18ccc7cc1.c17ccc9cc1.C159CC1.C45=O.O4C | [
340.15433460408997,
0.3,
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3,
3,
5,
25,
5,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
CO6.C6(=O)[C@@H]8[NH3+].c18ccc7cc1.c17ccc9cc1.C159CC1.C45=O.O4C | [
340.15433460408997,
0.3,
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3,
3,
5,
25,
5,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
CO7.C75=O.C15%10CC1.c1%10ccc8cc1.c18ccc9cc1.C69.c16nn[n-]n1 | [
333.13569936391013,
0.2631578947368421,
6,
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4,
6,
25,
5,
0,
1,
0,
1,
2,
1,
3,
1,
0,
1
] |
CC4.O64.C68=O.c18cn2c7cccc2[nH+]1.c17ccc5c9c1.C9(=O)[O-].O5C | [
340.1059216119999,
0.16666666666666666,
7,
1,
3,
7,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CO4.c14ccc8cc15.C5(=O)[O-].c18cc7c2c(c1)OCO2.C67=O.O6C | [
329.06667633590996,
0.17647058823529413,
7,
0,
3,
7,
24,
4,
0,
0,
1,
1,
2,
0,
2,
0,
0,
0
] |
CC5.O65.C6(=O)C3=O.N39.c19ccc4cc1.c14ccc8c7c1.C7(=O)[O-].O8C | [
342.0983108119099,
0.16666666666666666,
7,
1,
2,
7,
25,
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0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CO3.c13ccc6cc17.C7(=O)[O-].c16cc8c4cc1F.O4C.C58=O.O5C | [
333.07798996790996,
0.17647058823529413,
6,
0,
2,
7,
24,
5,
0,
0,
0,
0,
2,
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2,
0,
0,
0
] |
CO4.c14ccc8cc17.C7(=O)[O-].c18ccc2ncnc5c2c1.C65=O.O6C | [
337.08299509591,
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0,
3,
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25,
4,
0,
0,
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0,
2,
1,
3,
0,
0,
0
] |
CC(C)S(=O)(=O)c1ccc5nc1.c15ccc4c3c1.C3(=O)[O-].O4C | [
334.0754671919099,
0.25,
6,
0,
2,
7,
23,
5,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CO5.c15ccc4cc16.C6(=O)[O-].c14ccc7cc1.C17CC(=O)NC(=O)C1 | [
338.10339619191,
0.21052631578947367,
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25,
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1,
1,
2,
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2,
0,
1,
1
] |
CO3.c13ccc4cc19.C9(=O)[O-].c14c5cc7cc18.O5C.C67=O.O6C.O8C | [
345.09797646390996,
0.2222222222222222,
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25,
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0,
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0,
2,
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0,
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0
] |
CC3(C)C.O53.C5(=O)C8.c18ncc6cn1.c16ccc4c7c1.C7(=O)[O-].O4C | [
343.12994528790995,
0.3333333333333333,
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7,
25,
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0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC3C.N34.S4(=O)(=O)c1ccc7cc1.c17ccc5c6c1.C6(=O)[O-].O5C | [
348.0911172559099,
0.23529411764705882,
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7,
24,
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0,
0,
0,
0,
2,
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2,
0,
0,
0
] |
CO4.c14ccc8cc17.C7(=O)[O-].c18ccc2c5noc2c1.C65=O.O6C | [
326.06701068391,
0.11764705882352941,
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0,
3,
7,
24,
4,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CC4.O64.C68=O.c18c[nH+]c2cc7ccn12.c17ccc5c9c1.C9(=O)[O-].O5C | [
340.1059216119999,
0.16666666666666666,
7,
1,
3,
7,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC3=O.N38.c18ccc4cc19.C69=O.O6C.c14ccc5c7c1.C7(=O)[O-].O5C | [
342.0983108119099,
0.16666666666666666,
7,
1,
2,
7,
25,
5,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CC4.O64.C68=O.c18cc7c2nccn2c1.c17ccc5c9c1.C9(=O)[O-].O5C | [
339.09864515990995,
0.16666666666666666,
7,
0,
3,
7,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CO4.c14ccc8cc17.C7(=O)[O-].c18ccc5nc1.C65=O.N16CCCC1 | [
325.11938060391003,
0.2777777777777778,
6,
0,
3,
6,
24,
4,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CO4.c14ccc8cc17.C7(=O)[O-].c18ccc2oc5nc2c1.C65=O.O6C | [
326.0670106839099,
0.11764705882352941,
7,
0,
3,
7,
24,
4,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CN4C.c14ccc8cc16.c16ccc3c7c1.C7(=O)[O-].O3C.C58=O.O5C | [
328.11904625590995,
0.2222222222222222,
6,
0,
2,
6,
24,
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0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CCS(=O)(=O)c1ccc(F)c5c1.c15ccc4c3c1.C3(=O)[O-].O4C | [
337.05514634790995,
0.1875,
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0,
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7,
23,
5,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CO5.c15ccc7cc19.C9(=O)[O-].c17ccc4nc1.O64.C6C8.[NH+]18CCCC1 | [
342.15795718400005,
0.3684210526315789,
6,
1,
3,
6,
25,
7,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
C[NH+]5C.[C@H]15CCN4C1.c14ccc8cn1.c18ccc6c7c1.C7(=O)[O-].O6C | [
341.1739415959999,
0.3684210526315789,
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1,
3,
6,
25,
5,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
C[NH+]5C.[C@@H]15CCN4C1.c14ccc8cn1.c18ccc6c7c1.C7(=O)[O-].O6C | [
341.1739415959999,
0.3684210526315789,
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6,
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0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CO6.c16ccc8cc17.C7(=O)[O-].c18ccc(S4(=O)=O)cc1.N45.C15CC1 | [
346.07546719191,
0.23529411764705882,
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24,
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1,
0,
1,
2,
0,
2,
1,
0,
1
] |
CO4.c14ccc8cc17.C7(=O)[O-].c18ccc2nc5oc2c1.C65=O.O6C | [
326.06701068391,
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7,
24,
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0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CO3.c13ccc6cc17.C7(=O)[O-].c16ccc8cc14.O4C.C8C5=O.O5C | [
329.10306184391,
0.2222222222222222,
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0,
2,
6,
24,
6,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CC4.O64.C68=O.c18c[nH+]c2c7cccn12.c17ccc5c9c1.C9(=O)[O-].O5C | [
340.1059216119999,
0.16666666666666666,
7,
1,
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7,
25,
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0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CO5.c15ccc4cc18.C8(=O)[O-].c14c9cccc17.C69=O.O6C.C37=O.O3C | [
343.08232639990996,
0.16666666666666666,
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0,
0,
0,
0,
2,
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0,
0,
0
] |
CO4.c14ccc8cc15.C5(=O)[O-].c18cc7cc2ncoc12.C67=O.O6C | [
326.06701068391,
0.11764705882352941,
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0,
3,
7,
24,
4,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
Cn1cc6cc3c1=O.c13ccc4c5c1.C5(=O)[O-].O4C.C6(F)(F)F | [
326.06456607191006,
0.2,
5,
0,
2,
8,
23,
3,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |