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6,
25,
6,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC4.O45.c15ncc7cn1.c17ccc9cc1.n19cncc1%10.C6%10=O.O68.C8C | [
338.13789043599996,
0.2222222222222222,
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6,
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0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC7.O76.c16ncc5cn1.c15cccc2c1C1(CCOCC1)C(=O)N2 | [
325.142641468,
0.3888888888888889,
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4,
6,
24,
3,
0,
0,
2,
2,
1,
1,
2,
0,
1,
1
] |
CC3.O36.c16ncc7cn1.c17cnc4cc18.C8(F)(F)F.N54.C5(C)=O | [
326.099060316,
0.2857142857142857,
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2,
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0,
0,
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0,
0,
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2,
0,
0,
0
] |
CC6.O64.c14ncc8cn1.c18ccc(=O)n7c1.C75.c15cccc(F)c1 | [
325.12265497199996,
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1,
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3,
0,
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0
] |
CC5.O54.c14ncc3cn1.c13ccc(S(=O)(=O)CC(F)(F)F)cc1 | [
346.059897936,
0.2857142857142857,
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1,
2,
0,
0,
0
] |
CC5.O53.c13ncc7cn1.c17cc4ccc16.O6C(F)(F)F.C4(N)=O | [
327.083075904,
0.21428571428571427,
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0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC7.O76.c16ncc5cn1.c15cccc2c1NC(=O)C21CCOCC1 | [
325.14264146799997,
0.3888888888888889,
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1,
1,
2,
0,
1,
1
] |
CC4.O47.c17ncc8cn1.c18ccc9nc1.C69=O.N65.C15CCCCC1 | [
326.174275944,
0.4444444444444444,
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6,
24,
5,
0,
1,
0,
1,
0,
2,
2,
1,
0,
1
] |
CC6.O64.c14ncc8cn1.c18ccc9cc1.C79.[NH+]17CCC5CC1.C5[NH3+] | [
328.22521435618,
0.47368421052631576,
5,
4,
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1,
1,
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2,
0,
1,
1
] |
CC6.O64.c14ncc8cn1.c18ccc(=O)n7c1.C75.c15ccccc1F | [
325.12265497199996,
0.16666666666666666,
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3,
0,
0,
0
] |
CC4.O47.c17ncc8cn1.c18ccc%10nc1.C6%10=O.N65.C59.c19ccccc1 | [
334.142975816,
0.15789473684210525,
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3,
6,
25,
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0,
1,
2,
3,
0,
0,
0
] |
CC4.O47.c17ncc8cn1.c18cccc9c1.C69=O.N65.[C@H]15CC[C@H]([NH3+])CC1 | [
341.19720246009,
0.42105263157894735,
6,
4,
3,
6,
25,
5,
0,
1,
0,
1,
1,
1,
2,
1,
0,
1
] |
CCCC6.N64.S4(=O)(=O)c1ccc7cc1.c17cnc3nc1.O53.C5C | [
335.130362532,
0.375,
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2,
7,
23,
8,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC6.O67.c17ncc8cn1.c18ccc5nc1.O45.C4C9.[NH+]19CCCCC1 | [
329.19720246009,
0.5,
6,
1,
3,
6,
24,
7,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
CC7.O7%10.c1%10ncc6cn1.c16ccc8c9c1.N39.C3(C)=O.C8C5=O.O54.C4C | [
343.15320615199994,
0.3333333333333333,
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1,
2,
7,
25,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC7.O76.c16ncc5cn1.c15ccc2c(c1)NC(=O)C21CCOCC1 | [
325.14264146799997,
0.3888888888888889,
6,
1,
4,
6,
24,
3,
0,
0,
2,
2,
1,
1,
2,
0,
1,
1
] |
CC3.O53.C56=O.c16cnc7nc14.C4(F)(F)F.c17ccc8cc1.C8O | [
326.087826936,
0.26666666666666666,
5,
1,
2,
8,
23,
4,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC3.O53.C56=O.c16cnc4nc17.c17ccc8cc1.C8O.C4(F)(F)F | [
326.08782693600006,
0.26666666666666666,
5,
1,
2,
8,
23,
4,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC6.O64.c14ncc8cn1.c18ccc(F)c5c1F.C75.[NH+]17CCOCC1 | [
336.15180974008996,
0.4117647058823529,
5,
1,
3,
7,
24,
5,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CN1CC[NH+]6CC1.C6C4.N47.c17ccc8cn1.c18cccc5n1.S5C | [
344.19034325209003,
0.4444444444444444,
5,
2,
3,
6,
24,
6,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
Cc1cc2nc5nc7c2s1.c15ccc6cc1.C6O.N17CCOCC1 | [
341.119797848,
0.3333333333333333,
5,
1,
4,
6,
24,
3,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CC4.O64.C65=O.c15cnc7nc18.c18ccc9cc1.C9O.N17CCCCC1 | [
341.173941596,
0.42105263157894735,
6,
1,
3,
6,
25,
5,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CN1CC[NH+]6CC1.C6C4.N47.c17ccc8cn1.c18ncccc15.C5(F)F | [
348.19942862809,
0.4444444444444444,
5,
2,
3,
7,
25,
6,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
CO3.C369.c19c(C=4ccnc17.c17ccc8cc1.C8O.C=4C5=O.O5C.O6C | [
343.141972772,
0.2631578947368421,
6,
1,
2,
6,
25,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC6.[C@@H]16C(=O)Nc2cnc5nc2N17.C7(C)C.c15ccc4cc1.C4O | [
326.174275944,
0.3888888888888889,
6,
2,
3,
6,
24,
4,
0,
0,
1,
1,
1,
1,
2,
0,
0,
0
] |
c1cc5ccc16.C6O.c15nc7c2sccc2n1.N17CCOCC1 | [
327.10414778399996,
0.29411764705882354,
5,
1,
4,
6,
23,
3,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
c1cc5ccc16.C6O.c15nc7c2ccsc2n1.N17CCOCC1 | [
327.10414778399996,
0.29411764705882354,
5,
1,
4,
6,
23,
3,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
c1ccc7cc1.N17CCN8CC1.c18ccc6nn1.c16ccc5cc1.C5O | [
346.17936132399996,
0.23809523809523808,
5,
1,
4,
5,
26,
4,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] |
c1ccc7cc1.N17CCN8CC1.c18cc6ncn1.c16ccc5cc1.C5O | [
346.17936132399996,
0.23809523809523808,
5,
1,
4,
5,
26,
4,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] |
CCC6(C)C.N65.S5(=O)(=O)c1ccc4nc1.c14ccc3cc1.C3O | [
334.135113564,
0.35294117647058826,
5,
2,
2,
6,
23,
6,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC6.[C@@H]16C(=O)N(C)c2cnc5nc2N17.C7(C)C.c15ccc4cc1.C4O | [
340.189926008,
0.42105263157894735,
6,
1,
3,
6,
25,
4,
0,
0,
1,
1,
1,
1,
2,
0,
0,
0
] |
Cc1csc2c7nc5nc12.N17CCOCC1.c15ccc6cc1.C6O | [
341.11979784799996,
0.3333333333333333,
5,
1,
4,
6,
24,
3,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CCC6CC.N65.S5(=O)(=O)c1ccc4nc1.c14ccc3cc1.C3O | [
334.135113564,
0.35294117647058826,
5,
2,
2,
6,
23,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CCC[C@H]6C.N65.S5(=O)(=O)c1ccc4nc1.c14ccc3cc1.C3O | [
334.135113564,
0.35294117647058826,
5,
2,
2,
6,
23,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CCC[C@@H]6C.N65.S5(=O)(=O)c1ccc4nc1.c14ccc3cc1.C3O | [
334.135113564,
0.35294117647058826,
5,
2,
2,
6,
23,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC(C)CC6.N65.S5(=O)(=O)c1ccc4nc1.c14ccc3cc1.C3O | [
334.135113564,
0.35294117647058826,
5,
2,
2,
6,
23,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CS(=O)(=O)c1cc4cnc13.c13ccc5cc1.C5O.C4(F)(F)F | [
331.048998904,
0.21428571428571427,
4,
1,
2,
8,
22,
3,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
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