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6,
3,
3,
8,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC4.O74.C76=O.c16ncn2cc8cnc12.c18c(F)cc5cc1F.O5C | [
333.09249771599997,
0.1875,
6,
0,
3,
8,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CO3.c13cc(F)c7c(F)c1.c17cnc5nc14.C64=O.O6C.S5C | [
326.053669684,
0.21428571428571427,
5,
0,
2,
8,
22,
4,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC4.O74.C76=O.c16c[nH+]c2ncc8cn12.c18c(F)cc5cc1F.O5C | [
334.09977416809,
0.1875,
6,
1,
3,
8,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CO4.c14cc(F)c5c(F)c1.c15cc6c2c(c1)NC(=O)CO2.C76=O.O7C | [
349.076178956,
0.17647058823529413,
6,
1,
3,
8,
25,
3,
0,
0,
1,
1,
2,
0,
2,
0,
0,
0
] |
CO7.c17cc(F)c6c(F)c1.c16ccc5cc1.[C@@H]15CC2(C[NH2+]C2)C(=O)N1 | [
345.14091070809,
0.3157894736842105,
4,
3,
4,
6,
25,
3,
0,
0,
2,
2,
2,
0,
2,
0,
2,
2
] |
CO7.c17cc(F)c6c(F)c1.c16ccc5cc1.[C@H]15CC2(C[NH2+]C2)C(=O)N1 | [
345.14091070809,
0.3157894736842105,
4,
3,
4,
6,
25,
3,
0,
0,
2,
2,
2,
0,
2,
0,
2,
2
] |
CC4.O74.C76=O.c16cn2cc8ncc2[nH+]1.c18c(F)cc5cc1F.O5C | [
334.09977416809,
0.1875,
6,
1,
3,
8,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CO5.c15cc(F)c4c(F)c1.c14cc6nc8c1.C76=O.O7C.C38=O.O3C | [
337.076178956,
0.1875,
6,
0,
2,
8,
24,
4,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CN3C.S3(=O)(=O)c1cccc4c1.c14c(F)cc5cc1F.O5C | [
327.07407078,
0.2,
4,
0,
2,
7,
22,
4,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CO6.c16cc(F)c4c(F)c1.c14cc8c5nc13.O3C.O5C.C78=O.O7C | [
339.09182902,
0.25,
6,
0,
2,
8,
24,
5,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC4.O74.C76=O.c16cn2c8cncc2[nH+]1.c18c(F)cc5cc1F.O5C | [
334.09977416809,
0.1875,
6,
1,
3,
8,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CO4.c14cc(F)c5c(F)c1.c15ccc6cc1.C6[C@H](C[NH3+])C7=O.O7C | [
336.14057636008994,
0.2777777777777778,
4,
3,
2,
6,
24,
6,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CO4.c14cc(F)c5c(F)c1.c15ccc6cc1.C6[C@@H](C[NH3+])C7=O.O7C | [
336.14057636008994,
0.2777777777777778,
4,
3,
2,
6,
24,
6,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CN1CC(=O)Nc2ccc4cc2C1=O.c14c(F)cc5cc1F.O5C | [
332.09724874799997,
0.17647058823529413,
5,
1,
3,
7,
24,
2,
0,
0,
1,
1,
2,
0,
2,
0,
0,
0
] |
C[C@@]14NC(=O)NC1=O.c14ccc5cc1.c15c(F)cc6cc1F.O6C | [
332.09724874799997,
0.17647058823529413,
5,
2,
3,
7,
24,
3,
0,
0,
1,
1,
2,
0,
2,
0,
1,
1
] |
C[C@]14NC(=O)NC1=O.c14ccc5cc1.c15c(F)cc6cc1F.O6C | [
332.09724874799997,
0.17647058823529413,
5,
2,
3,
7,
24,
3,
0,
0,
1,
1,
2,
0,
2,
0,
1,
1
] |
CO5.c15cc(F)c4c(F)c1.c14cnc6c8c1.C76=O.O7C.C38=O.O3C | [
337.076178956,
0.1875,
6,
0,
2,
8,
24,
4,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CO4.c14cc(F)c5c(F)c1.c15cc6c2c(c1)CC(=O)N2.C76=O.O7C | [
333.081264336,
0.17647058823529413,
5,
1,
3,
7,
24,
3,
0,
0,
1,
1,
2,
0,
2,
0,
0,
0
] |
CO6.c16cc(F)c5c(F)c1.c15ccc2c(c1)-n1c(noc1=O)CO2 | [
332.06086323999995,
0.125,
6,
0,
4,
8,
24,
2,
0,
0,
1,
1,
2,
1,
3,
0,
0,
0
] |
CO7.c17cc(F)c6c(F)c1.c16cccc2[nH+]c5cn12.[C@@H]15C[NH2+]CCO1 | [
347.14343612818,
0.2777777777777778,
5,
3,
4,
7,
25,
3,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CO7.c17cc(F)c6c(F)c1.c16cccc2[nH+]c5cn12.[C@H]15C[NH2+]CCO1 | [
347.14343612818,
0.2777777777777778,
5,
3,
4,
7,
25,
3,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CC4.O74.C76=O.c16cn2nc8ccc2[nH+]1.c18c(F)cc5cc1F.O5C | [
334.09977416809,
0.1875,
6,
1,
3,
8,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CO7.c17cc(F)c5c(F)c1.c15cnc(=O)n4c1.C46.c16cccnc1 | [
329.09758309600005,
0.11764705882352941,
5,
0,
3,
7,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CO7.c17cc(F)c5c(F)c1.c15cnc(=O)n4c1.C46.c16ccccn1 | [
329.09758309600005,
0.11764705882352941,
5,
0,
3,
7,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CO7.c17cc(F)c5c(F)c1.c15cc6c4c2c1CNC2=O.O4C.O6C | [
335.0969144,
0.23529411764705882,
5,
1,
3,
7,
24,
4,
0,
0,
1,
1,
2,
0,
2,
0,
0,
0
] |
CO7.c17cc(F)c5c(F)c1.c15ccnn4c1=O.C46.c16cccnc1 | [
329.09758309600005,
0.11764705882352941,
5,
0,
3,
7,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
Cc1cnc9nc16.N67.C17CC1.c19ccc8nc1.O85.C15CCOCC1 | [
326.174275944,
0.5,
6,
1,
4,
6,
24,
5,
0,
1,
1,
2,
0,
2,
2,
1,
1,
2
] |
CC7C.N79.c19nc5ncc16.c15ccc8nc1.O84.C14CCOCC1.O6C | [
344.18484062799996,
0.5,
7,
1,
3,
7,
25,
6,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
CO7.C76=O.c16cc(F)cnc18.c18ccc4nc1.O45.C15CCOCC1 | [
332.117235244,
0.35294117647058826,
6,
0,
3,
7,
24,
4,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
CC4.O84.C89=O.c19ccc5nc1.c15ccc6nc1.O67.C17CCOCC1 | [
328.14230712,
0.3888888888888889,
6,
0,
3,
6,
24,
5,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
CO7.c17cc(F)c5c(F)c1.c15cn4c(=O)cn1.C46.c16ccncc1 | [
329.09758309600005,
0.11764705882352941,
5,
0,
3,
7,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CO7.c17cc(F)c5c(F)c1.c15cnn4c(=O)c1.C46.c16cccnc1 | [
329.09758309600005,
0.11764705882352941,
5,
0,
3,
7,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CO4.c14cc(F)c5c(F)c1.c15ccc6nc1.C76=O.N17CCOCC1 | [
334.11289881199997,
0.29411764705882354,
5,
0,
3,
7,
24,
3,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
Cc1cc6nc2c1C[NH2+]CC2.c16ccc7nc1.O75.C15CCOCC1 | [
326.18630342808996,
0.47368421052631576,
5,
2,
4,
5,
24,
3,
0,
0,
2,
2,
0,
2,
2,
0,
1,
1
] |
CC4.O84.C8(=O)C9.c19cccnc15.c15ccc6nc1.O67.C17CCOCC1 | [
342.157957184,
0.42105263157894735,
6,
0,
3,
6,
25,
6,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
CC4.O74.C76=O.c16nnc2ccc8cn12.c18c(F)cc5cc1F.O5C | [
333.09249771599997,
0.1875,
6,
0,
3,
8,
24,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
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