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1,
2,
1,
1,
2
] |
c1cc8ccc19.c19ccc6cc1.N16C(=O)C=CC1=O.C78=O.N75.C15CC1 | [
332.116092372,
0.15,
5,
1,
4,
5,
25,
4,
0,
1,
1,
2,
2,
0,
2,
1,
0,
1
] |
C[NH+]1CCN5CC1.c15ccc9cc1.c19ccc6cc1.C76=O.N78.C18CC1 | [
336.20703887209,
0.38095238095238093,
4,
2,
4,
4,
25,
4,
0,
1,
1,
2,
2,
0,
2,
1,
1,
2
] |
c1cc9ccc1%10.C5%10.N15CC[NH2+]CC1.c19ccc6cc1.C76=O.N78.C18CC1 | [
336.20703887209,
0.38095238095238093,
4,
3,
4,
4,
25,
5,
0,
1,
1,
2,
2,
0,
2,
1,
1,
2
] |
CO7.C76=O.c16cc9cn2ccnc12.c19ccc%10cc1.C5%10=O.N58.C18CC1 | [
335.126991404,
0.21052631578947367,
6,
1,
4,
6,
25,
4,
0,
1,
0,
1,
1,
2,
3,
1,
0,
1
] |
c1cc6ccc19.c19ncc8c2ccsc12.C8(N)=O.C76=O.N75.C15CC1 | [
337.08849772,
0.16666666666666666,
5,
3,
4,
6,
24,
4,
0,
1,
0,
1,
1,
2,
3,
1,
0,
1
] |
CN47.c17ccccc18.c18ccc9cc1.C69=O.N65.C15CC1.S4(C)(=O)=O | [
344.11946349999994,
0.2777777777777778,
5,
1,
3,
6,
24,
5,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
c1cc6ccc19.c19ccc2ncc8cc2c1.C8(N)=O.C76=O.N75.C15CC1 | [
331.13207678400005,
0.15,
5,
3,
4,
5,
25,
4,
0,
1,
0,
1,
2,
1,
3,
1,
0,
1
] |
CC1(C)Oc2cc6cnc2NC1=O.c16ccc5cc1.C85=O.N87.C17CC1 | [
337.14264146799997,
0.3157894736842105,
6,
2,
4,
6,
25,
3,
0,
1,
1,
2,
1,
1,
2,
1,
0,
1
] |
CC7.O67.C6%10=O.c1%10c8cncc1F.c18ccc9cc1.C49=O.N45.C15CC1 | [
328.12232062400005,
0.2777777777777778,
5,
1,
3,
6,
24,
5,
0,
1,
0,
1,
1,
1,
2,
1,
0,
1
] |
CC8.c18ncc%10c7n1.c17ccc%11cc1.C4%11=O.N45.C15CC1.C6%10=O.O69.C9C | [
339.15829153199996,
0.3684210526315789,
6,
1,
3,
6,
25,
6,
0,
1,
0,
1,
1,
1,
2,
1,
0,
1
] |
C[NH+]85.C8C4.O4C.C59.c19ccnc7c1.c17ccc%10cc1.C6%10=O.N6%11.C1%11CC1 | [
340.20195349209,
0.4,
5,
2,
3,
5,
25,
8,
0,
1,
0,
1,
1,
1,
2,
1,
0,
1
] |
CO7.C76=O.c16cc9cc2c1OCO2.c19ccc%10cc1.C5%10=O.N58.C18CC1 | [
339.11067264400003,
0.2631578947368421,
6,
1,
4,
6,
25,
4,
0,
1,
1,
2,
2,
0,
2,
1,
0,
1
] |
CO7.C76=O.c16cn2c9cccc2[nH+]1.c19ccc%10cc1.C5%10=O.N58.C18CC1 | [
336.13426785609,
0.21052631578947367,
6,
2,
4,
6,
25,
4,
0,
1,
0,
1,
1,
2,
3,
1,
0,
1
] |
CN(OC)C(=O)C5.c15ccc8cc1.c18ccc7cc1.C67=O.N64.C14CC1 | [
338.16304256399997,
0.3,
5,
1,
3,
5,
25,
6,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
Cc1ccc5cc1S(C)(=O)=O.c15ccc4cc1.C74=O.N76.C16CC1 | [
329.10856446800005,
0.2777777777777778,
4,
1,
3,
5,
23,
4,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
CO7.C76=O.c16ncnc2ccc9cc12.c19ccc%10cc1.C5%10=O.N58.C18CC1 | [
347.126991404,
0.2,
6,
1,
4,
6,
26,
4,
0,
1,
0,
1,
2,
1,
3,
1,
0,
1
] |
CS(=O)(=O)c1ccc5c(F)c1.c15ccc4cc1.C74=O.N76.C16CC1 | [
333.083492592,
0.23529411764705882,
4,
1,
3,
6,
23,
4,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
CS4(=O)=O.N47.c17cccc8c1.c18ccc9cc1.C69=O.N65.C15CC1 | [
330.103813436,
0.23529411764705882,
5,
2,
3,
6,
23,
5,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
CC7=O.N78.c18cc2c(cc19OCO2.c19ccc%10cc1.C5%10=O.N56.C16CC1 | [
338.12665705599994,
0.2631578947368421,
6,
2,
4,
6,
25,
4,
0,
1,
1,
2,
2,
0,
2,
1,
0,
1
] |
CC8.O85.c15ncc7cc19.c17ccc%10cc1.C4%10=O.N4%11.C1%11CC1.C69=O.O6C | [
340.14230711999994,
0.3157894736842105,
6,
1,
3,
6,
25,
6,
0,
1,
0,
1,
1,
1,
2,
1,
0,
1
] |
CO6.C65=O.c15nc9ncc17.S9C.c17ccc%10cc1.C4%10=O.N48.C18CC1 | [
343.09906240400005,
0.29411764705882354,
6,
1,
3,
7,
24,
5,
0,
1,
0,
1,
1,
1,
2,
1,
0,
1
] |
CS4(=O)=O.N47.c17ccccc18.c18ccc9cc1.C69=O.N65.C15CC1 | [
330.103813436,
0.23529411764705882,
5,
2,
3,
6,
23,
5,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
c1cc8ccc19.c19ccc6cc1.n16c(O)ccc1O.C78=O.N75.C15CC1 | [
334.131742436,
0.15,
5,
3,
4,
5,
25,
4,
0,
1,
0,
1,
2,
1,
3,
1,
0,
1
] |
c1cc5ccc16.c16cnc2c(c1)NC(=O)CS2.C85=O.N87.C17CC1 | [
325.08849772,
0.23529411764705882,
5,
2,
4,
6,
23,
3,
0,
1,
1,
2,
1,
1,
2,
1,
0,
1
] |
c1cc6ccc19.c19ccc8cc1.C78=O.N75.C15CC1.C16CC(=O)NC(=O)C1 | [
348.14739249999997,
0.2857142857142857,
5,
2,
4,
5,
26,
4,
0,
1,
1,
2,
2,
0,
2,
1,
1,
2
] |
CS(=O)(=O)c1ccc5cc1F.c15ccc4cc1.C74=O.N76.C16CC1 | [
333.083492592,
0.23529411764705882,
4,
1,
3,
6,
23,
4,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
CC[C@H]5C.n15c(=O)[nH]c(C)c8c1=O.c18ccc7cc1.C67=O.N64.C14CC1 | [
341.173941596,
0.42105263157894735,
6,
2,
3,
6,
25,
5,
0,
1,
0,
1,
1,
1,
2,
1,
0,
1
] |
CC[C@@H]5C.n15c(=O)[nH]c(C)c8c1=O.c18ccc7cc1.C67=O.N64.C14CC1 | [
341.173941596,
0.42105263157894735,
6,
2,
3,
6,
25,
5,
0,
1,
0,
1,
1,
1,
2,
1,
0,
1
] |
CO7.C76=O.c16cn2ccc9cc2[nH+]1.c19ccc%10cc1.C5%10=O.N58.C18CC1 | [
336.13426785609,
0.21052631578947367,
6,
2,
4,
6,
25,
4,
0,
1,
0,
1,
1,
2,
3,
1,
0,
1
] |
CO7.C76=O.c16cc2cc9cnc2[nH]1.c19ccc%10cc1.C5%10=O.N58.C18CC1 | [
335.126991404,
0.21052631578947367,
6,
2,
4,
6,
25,
4,
0,
1,
0,
1,
1,
2,
3,
1,
0,
1
] |
c1cc6c2c(c1)CS(=O)(=O)C2.c16ccc5cc1.C85=O.N87.C17CC1 | [
327.092914404,
0.2777777777777778,
4,
1,
4,
5,
23,
3,
0,
1,
1,
2,
2,
0,
2,
1,
0,
1
] |
CO7.C76=O.c16c[nH]c2ncc9cc12.c19ccc%10cc1.C5%10=O.N58.C18CC1 | [
335.126991404,
0.21052631578947367,
6,
2,
4,
6,
25,
4,
0,
1,
0,
1,
1,
2,
3,
1,
0,
1
] |
c1cc(C2=NNC(=O)CC2)ccc16.c16ccc5cc1.C85=O.N87.C17CC1 | [
333.147726848,
0.25,
5,
2,
4,
5,
25,
4,
0,
1,
1,
2,
2,
0,
2,
1,
0,
1
] |
Cc1ccc(S(C)(=O)=O)cc15.c15ccc4cc1.C74=O.N76.C16CC1 | [
329.108564468,
0.2777777777777778,
4,
1,
3,
5,
23,
4,
0,
1,
0,
1,
2,
0,
2,
1,
0,
1
] |
c1ccc6c9c1.c19ccc8cc1.C78=O.N75.C15CC1.N16C(=O)C=CC1=O | [
332.11609237199997,
0.15,
5,
1,
4,
5,
25,
4,
0,
1,
1,
2,
2,
0,
2,
1,
0,
1
] |
CO7.C76=O.c16cc9c2nc[nH]c2c1.c19ccc%10cc1.C5%10=O.N58.C18CC1 | [
335.126991404,
0.21052631578947367,
6,
2,
4,
6,
25,
4,
0,
1,
0,
1,
2,
1,
3,
1,
0,
1
] |
CO7.C76=O.c16nc2ccc9cc2[nH]1.c19ccc%10cc1.C5%10=O.N58.C18CC1 | [
335.126991404,
0.21052631578947367,
6,
2,
4,
6,
25,
4,
0,
1,
0,
1,
2,
1,
3,
1,
0,
1
] |
Cc1cc5ncc19.c19ccc6cc1.C76=O.N78.C18CC1.N15CCOCC1 | [
337.179026976,
0.4,
5,
1,
4,
5,
25,
4,
0,
1,
1,
2,
1,
1,
2,
1,
1,
2
] |
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