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] |
Cc1nc6ccc18.N76.C7(C)=O.c18ccc4nc1.O45.C15CCOCC1 | [
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0,
0,
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1,
0,
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2,
0,
1,
1
] |
CC4.O84.C89=O.c19ncccc15.c15ccc6nc1.O67.C17CCOCC1 | [
328.14230712,
0.3888888888888889,
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3,
6,
24,
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0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
CN7.C76=O.c16ccc8cc1F.c18ccc4nc1.O45.C15CCOCC1 | [
330.137970688,
0.3333333333333333,
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1,
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24,
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0,
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1,
1,
1,
2,
0,
1,
1
] |
c1cc7ncc15.c15cc(F)c6c(F)c1.C6(N)=O.O74.C14CCOCC1 | [
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0,
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1
] |
Cc1cc6ncc18.c18ccc4nc1.O45.C15CCOCC1.N76.C7(C)=O | [
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0,
1,
1,
0,
2,
2,
0,
1,
1
] |
CO8.C8C4.O46.c16cc5ccn1.c15ccc7nc1.O79.C19CCOCC1 | [
330.157957184,
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0,
1,
1,
0,
2,
2,
0,
1,
1
] |
c1cc8ncc19.c19ccc(=O)n6c1.C67.C17CC1.O85.C15CCOCC1 | [
326.16304256399997,
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24,
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1,
1,
2,
0,
2,
2,
1,
1,
2
] |
CS(=O)(=O)C6.c16cccc5c1.c15ccc7nc1.O74.C14CCOCC1 | [
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0.3888888888888889,
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6,
24,
5,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
Cc1c6cncc18.C76=O.O7C.c18ccc4nc1.O45.C15CCOCC1 | [
328.14230712,
0.3888888888888889,
6,
0,
3,
6,
24,
4,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
CC4.O84.C89=O.c19ccncc15.c15ccc6nc1.O67.C17CCOCC1 | [
328.14230712,
0.3888888888888889,
6,
0,
3,
6,
24,
5,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
c1cc6c(=O)n7c1.c17ccncc1.c16ccc8nc1.O85.C15CCOCC1 | [
349.14264146799997,
0.25,
6,
0,
4,
6,
26,
4,
0,
0,
1,
1,
0,
3,
3,
0,
1,
1
] |
c1cc8ncc16.c16ccnn7c1=O.C17CCC1.O85.C15CCOCC1 | [
327.15829153199996,
0.5,
6,
0,
4,
6,
24,
4,
0,
1,
1,
2,
0,
2,
2,
1,
1,
2
] |
CO7.C76=O.c16cc(F)ncc18.c18ccc4nc1.O45.C15CCOCC1 | [
332.117235244,
0.35294117647058826,
6,
0,
3,
7,
24,
4,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
c1ccc7c6c1.c16ccc8nc1.O85.C15CCOCC1.N17CC[NH2+]CC1 | [
340.20195349209,
0.45,
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2,
4,
5,
25,
4,
0,
0,
2,
2,
1,
1,
2,
0,
2,
2
] |
c1cc7c(F)cc16.c16ccc8nc1.O85.C15CCOCC1.c17nn[n-]n1 | [
340.12152651991016,
0.29411764705882354,
7,
0,
4,
8,
25,
4,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
c1cc7ncc16.c16ccc8nc1.O85.C15CCOCC1.N17CCCC1=O | [
339.15829153199996,
0.42105263157894735,
6,
0,
4,
6,
25,
4,
0,
0,
2,
2,
0,
2,
2,
0,
2,
2
] |
CC(C)C6.n16cc5ncc1=O.c15ccc7nc1.O74.C14CCOCC1 | [
329.17394159599996,
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6,
0,
3,
6,
24,
5,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
CS(=O)(=O)C6.c16ccccc15.c15ccc7nc1.O74.C14CCOCC1 | [
347.11912915199997,
0.3888888888888889,
5,
0,
3,
6,
24,
5,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CO7.c17cc2nccn2cc16.c16ccc8nc1.O85.C15CCOCC1 | [
325.14264146799997,
0.3333333333333333,
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0,
4,
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24,
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0,
1,
1,
0,
3,
3,
0,
1,
1
] |
c1ccc7cc1.n17nc6ccc1=O.c16ccc8nc1.O85.C15CCOCC1 | [
349.14264146799997,
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6,
0,
4,
6,
26,
4,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CN1CCc2c6cccc2C1=O.c16ccc7nc1.O75.C15CCOCC1 | [
338.16304256399997,
0.4,
5,
0,
4,
5,
25,
3,
0,
0,
2,
2,
1,
1,
2,
0,
1,
1
] |
c1cc7ncc16.c16cnc2c(c1)NC(=O)CS2.O75.C15CCOCC1 | [
343.099062404,
0.35294117647058826,
6,
1,
4,
7,
24,
3,
0,
0,
2,
2,
0,
2,
2,
0,
1,
1
] |
c1ccc7cc1.n17cc6ncc1=O.c16ccc8nc1.O85.C15CCOCC1 | [
349.14264146799997,
0.25,
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4,
6,
26,
4,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CC(C)C6.n16cc5cnc1=O.c15ccc7nc1.O74.C14CCOCC1 | [
329.17394159599996,
0.5,
6,
0,
3,
6,
24,
5,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
c1ccc7cc1.n17ncc6cc1=O.c16ccc8nc1.O85.C15CCOCC1 | [
349.14264146799997,
0.25,
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4,
6,
26,
4,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
c1cc7ncc16.c16cnc5cn1.O95.C9%10.C1%10CC1.O78.C18CCOCC1 | [
327.15829153199996,
0.5,
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4,
6,
24,
6,
0,
1,
1,
2,
0,
2,
2,
1,
1,
2
] |
c1cc8ncc16.c16ccn7c(=O)c1.c17ccncc1.O85.C15CCOCC1 | [
349.14264146799997,
0.25,
6,
0,
4,
6,
26,
4,
0,
0,
1,
1,
0,
3,
3,
0,
1,
1
] |
c1cc6c2c(c1)NC(=O)NC2.c16ccc7nc1.O75.C15CCOCC1 | [
325.14264146799997,
0.3333333333333333,
6,
2,
4,
6,
24,
3,
0,
0,
2,
2,
1,
1,
2,
0,
1,
1
] |
CC4.O84.C8(=O)C9.c19cccc5n1.c15ccc6nc1.O67.C17CCOCC1 | [
342.157957184,
0.42105263157894735,
6,
0,
3,
6,
25,
6,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
Cc1c8ccnc16.C76=O.O7C.c18ccc4nc1.O45.C15CCOCC1 | [
328.14230712,
0.3888888888888889,
6,
0,
3,
6,
24,
4,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
c1cc5cc(S(=O)(=O)[O-])c1.c15ccc6nc1.O64.C14CCOCC1 | [
334.07546719191,
0.3125,
6,
0,
3,
7,
23,
4,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
c1cc6cc5c1.c15ccc7nc1.O74.C14CCOCC1.C6CC(N)=O | [
326.163042564,
0.3684210526315789,
5,
2,
3,
5,
24,
6,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CS(=O)(=O)O6.c16ccc5cc1.c15ccc7nc1.O74.C14CCOCC1 | [
349.098393708,
0.35294117647058826,
6,
0,
3,
7,
24,
5,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
c1cc(F)c7cc16.c16ccc8nc1.O85.C15CCOCC1.c17nn[n-]n1 | [
340.1215265199101,
0.29411764705882354,
7,
0,
4,
8,
25,
4,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
c1cc9c(=O)n6c1.C67.C17CC1.c19ccc8nc1.O85.C15CCOCC1 | [
326.16304256399997,
0.47368421052631576,
5,
0,
4,
5,
24,
5,
0,
1,
1,
2,
0,
2,
2,
1,
1,
2
] |
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