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CN65.c15ccccc14.c14cnc(N)cc13.C3(F)(F)F.S6(C)(=O)=O | [
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CC(C)S(=O)(=O)c1ccc3nc1.c13cnc(N)cc14.C4(F)(F)F | [
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CS6(=O)=O.N65.c15ccc(F)c4c1.c14cnc(N)cc13.C3(F)(F)F | [
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CS(=O)(=O)O5.c15ccc3cc1.c13cnc(N)cc14.C4(F)(F)F | [
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CC3.O53.C5(=O)C6.c16cc7ccn1.c17cnc(N)cc14.C4(F)(F)F | [
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c1ccc6cc1.C76.n17nccc5c1=O.c15cnc(N)cc14.C4(F)(F)F | [
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c1c(N)ncc5c14.c15cnc7cn1.O76.C16CCOCC1.C4(F)(F)F | [
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c1ccc5cc1.n15ncc4cc1=O.c14cnc(N)cc16.C6(F)(F)F | [
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c1cc4cc5c1.c15cnc(N)cc16.C6(F)(F)F.C74.N17CC[C@@H]([NH3+])C1 | [
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c1cc4cc5c1.c15cnc(N)cc16.C6(F)(F)F.C74.N17CC[C@H]([NH3+])C1 | [
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1
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c1cc4c(=O)n5c1.c15ccncc1.c14cnc(N)cc16.C6(F)(F)F | [
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c1cc(=O)n5cc14.c14cnc(N)cc16.C6(F)(F)F.c15ccncc1 | [
332.08849563200005,
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c1ccnc5c1.n15cc4ccc1=O.c14cnc(N)cc16.C6(F)(F)F | [
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c1ccc5cc1.n15cc4ncc1=O.c14cnc(N)cc16.C6(F)(F)F | [
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c1c(N)ncc5c14.c15cnc7nc1.O76.C16CCOCC1.C4(F)(F)F | [
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c1ccnc5c1.n15cccc4c1=O.c14cnc(N)cc16.C6(F)(F)F | [
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c1cc5ccc16.C76.N17CC[C@@H]([NH3+])C1.c15cnc(N)cc14.C4(F)(F)F | [
337.16345772009,
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1
] |
c1cc5ccc16.C76.N17CC[C@H]([NH3+])C1.c15cnc(N)cc14.C4(F)(F)F | [
337.16345772009,
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c1ccc6cc1.C76.n17nc5ccc1=O.c15cnc(N)cc14.C4(F)(F)F | [
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c1ccc5cc1.n15nc4ccc1=O.c14cnc(N)cc16.C6(F)(F)F | [
332.08849563200005,
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0,
0,
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] |
CS(=O)(=O)C5.c15cccc3c1.c13cnc(N)cc14.C4(F)(F)F | [
330.06498331600005,
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2,
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] |
c1cc2c(cc14CS(=O)(=O)C2.c14cnc(N)cc15.C5(F)(F)F | [
328.04933325199994,
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1,
1,
1,
1,
2,
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c1ccnc6c1.C76.n17cccc5c1=O.c15cnc(N)cc14.C4(F)(F)F | [
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] |
c1cncc5c1.n15ccc4cc1=O.c14cnc(N)cc16.C6(F)(F)F | [
332.08849563200005,
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0,
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3,
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0
] |
c1cc5cc4c1.C15CC(=O)NC(=O)C1.c14cnc(N)cc16.C6(F)(F)F | [
349.103811348,
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1,
1
] |
c1ccc6cc1.C76.n17cc5ncc1=O.c15cnc(N)cc14.C4(F)(F)F | [
346.10414569600005,
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0,
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] |
c1cnccc15.n15ccc4cc1=O.c14cnc(N)cc16.C6(F)(F)F | [
332.08849563200005,
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] |
c1cncc6c1.C76.n17cc5ccc1=O.c15cnc(N)cc14.C4(F)(F)F | [
346.10414569600005,
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3,
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0
] |
c1ccc5c6c1.C76.N17CC[C@@H]([NH3+])C1.c15cnc(N)cc14.C4(F)(F)F | [
337.16345772009,
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24,
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0,
1,
1,
1,
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2,
0,
1,
1
] |
c1ccc5c6c1.C76.N17CC[C@H]([NH3+])C1.c15cnc(N)cc14.C4(F)(F)F | [
337.16345772009,
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7,
24,
3,
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0,
1,
1,
1,
1,
2,
0,
1,
1
] |
c1cc5c(=O)n7c1.C74.c14ccncc1.c15cnc(N)cc16.C6(F)(F)F | [
346.10414569600005,
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25,
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0,
3,
3,
0,
0,
0
] |
c1cncc4c1.n14cccc5c1=O.c15cnc(N)cc16.C6(F)(F)F | [
332.08849563200005,
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24,
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0,
0,
0,
0,
3,
3,
0,
0,
0
] |
Cc1cc4cnc15.C5(=O)N(C)OC.c14cnc(N)cc13.C3(F)(F)F | [
340.11471038,
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24,
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0,
0,
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2,
0,
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] |
c1ccc5c4c1.C74.N17CC[NH2+]CC1.c15cnc(N)cc16.C6(F)(F)F | [
337.16345772009,
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24,
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1,
1,
1,
1,
2,
0,
1,
1
] |
c1cn4c(=O)cc15.c15cnc(N)cc16.C6(F)(F)F.C14CCOCC1 | [
339.11946141199996,
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24,
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0,
1,
1,
0,
2,
2,
0,
1,
1
] |
c1ccnc4c1.n14ccc5cc1=O.c15cnc(N)cc16.C6(F)(F)F | [
332.08849563200005,
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24,
2,
0,
0,
0,
0,
0,
3,
3,
0,
0,
0
] |
c1cc(=O)n7cc15.c15cnc(N)cc14.C4(F)(F)F.C76.c16ccncc1 | [
346.10414569600005,
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25,
3,
0,
0,
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3,
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0
] |
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