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3.57k
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C[NH+]1CCN6CC1.c16ccc8nc1.c18ccc5cc1.O75.C7C4.O4C | [
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C[C@]([NH3+])(C9C8=O.c19cccc5c1.c15ccc7cc1.O47.C4C6.O6C.O8C | [
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C[C@@]([NH3+])(C9C8=O.c19cccc5c1.c15ccc7cc1.O47.C4C6.O6C.O8C | [
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C[NH+]1CCN8CC1.C85=O.c15ccc6cc1.c16cnn7c1.c17ccccc1 | [
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CC5.O85.C86=O.c16cn2cc9ncc2[nH+]1.c19cnn7c1.c17ccccc1 | [
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c1ccc8cc1.n18cc7cn1.c17ccc6cc1.[C@@H]16CC2(C[NH2+]C2)C(=O)N1 | [
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CN6C.S6(=O)(=O)c1ccc5cc1.c15cnn4c1.c14ccccc1 | [
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CC5.O85.C86=O.c16ncn2cc9cnc12.c19cnn7c1.c17ccccc1 | [
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CC6.O86.C85=O.N15CCc2nnc9cc2C1.c19cnn7c1.c17ccccc1 | [
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CC5.c15cc6nc8n1.N18CCOCC1.c16cnn7c1.c17ccccc1 | [
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c1ccc7cc1.n17cc9cn1.c19ccc5nn1.O85.C8C6.[NH+]16CCCC1 | [
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C[NH+]4C.C4CC6.N86.C87=O.c17cccnc15.c15cnn9c1.c19ccccc1 | [
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Cn1c5cc2cnc6nc21.c16cnn7c1.c17ccccc1.C85=O.O8C | [
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c1ccc7cc1.n17cc9cn1.c19ccc5nn1.O85.C86.C16CC[NH2+]CC1 | [
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CC5.O85.C86=O.c16cc2cnc9nc2[nH]1.c19cnn7c1.c17ccccc1 | [
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c1ccc7cc1.n17cc6cn1.c16ccc5cn1.C85.n18c(O)ccc1O | [
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Cc1cc4ncc18.c18nc6ccc15.C6[NH3+].N75.C7(=O)C(C)(C)C.O4C | [
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CC4.O74.C76=O.c16nc8c2c(ccn2C)n1.c18cnc5cc1C.O5C | [
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Cc1cc3ncc17.c17nc5ccc14.C5O.N64.C6(=O)C(C)(C)C.O3C | [
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Cc1cc4ncc16.c16ccc8cn1.c18nc5no1.C5C7.O7C.O4C | [
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CN74.c14ccccc15.c15cnn6c1.c16ccccc1.S7(C)(=O)=O | [
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CC5.O85.C86=O.c16cn2c9cncc2[nH+]1.c19cnn7c1.c17ccccc1 | [
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Cc1cc4ncc18.c18ncc5cn1.O75.C76.C16CC[NH+](C)CC1.O4C | [
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6,
24,
5,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
Cc1cc7ncc15.c15ccc(S4(=O)=O)cn1.N46.C16CCCC1.O7C | [
347.130362532,
0.4117647058823529,
6,
1,
3,
7,
24,
5,
0,
1,
0,
1,
0,
2,
2,
1,
0,
1
] |
c1ccc7cc1.n17cc6cn1.c16ccc(S8(=O)=O)cc1.N85.C15CC1 | [
339.104147784,
0.16666666666666666,
5,
1,
4,
6,
24,
5,
0,
1,
0,
1,
2,
1,
3,
1,
0,
1
] |
CO8.C86=O.c16cc5cc7n1.C47=O.O4C.c15cnn9c1.c19ccccc1 | [
337.10625596000006,
0.1111111111111111,
7,
0,
3,
7,
25,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CC5.O85.C86=O.c16nnc2ccc9cn12.c19cnn7c1.c17ccccc1 | [
333.12257472000005,
0.1111111111111111,
7,
0,
4,
7,
25,
4,
0,
0,
0,
0,
1,
3,
4,
0,
0,
0
] |
Cc1cc7ncc16.c16ncnc2cc5ccc12.N15CCOCC1.O7C | [
336.15862587999993,
0.3157894736842105,
6,
0,
4,
6,
25,
3,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CN1CC(=O)Nc2ccc5cc2C1=O.c15cnn6c1.c16ccccc1 | [
332.127325752,
0.10526315789473684,
6,
1,
4,
6,
25,
2,
0,
0,
1,
1,
2,
1,
3,
0,
0,
0
] |
CO6.c16cc(S(C)(=O)=O)ccc15.c15cnn4c1.c14ccccc1 | [
328.08816337199994,
0.11764705882352941,
5,
0,
3,
6,
23,
4,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CO4.c14nc6c7cc15.O6C.C87=O.O8C.c15cnn9c1.c19ccccc1 | [
339.12190602400005,
0.16666666666666666,
7,
0,
3,
7,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CCC3CC.N35.S5(=O)(=O)c1ccc4nc1.c14cnc6cc1C.O6C | [
349.146012596,
0.4117647058823529,
6,
1,
2,
7,
24,
7,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
CCC3(C)C.N35.S5(=O)(=O)c1ccc4nc1.c14cnc6cc1C.O6C | [
349.146012596,
0.4117647058823529,
6,
1,
2,
7,
24,
6,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
Cc1cc6ncc14.c14ccc(S5(=O)=O)cn1.N35.C3CC(C)C.O6C | [
349.146012596,
0.4117647058823529,
6,
1,
2,
7,
24,
7,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
CO8.C85=O.c15cc6cc2c1NC(=O)C2.c16cnn7c1.c17ccccc1 | [
333.11134134,
0.10526315789473684,
6,
1,
4,
6,
25,
3,
0,
0,
1,
1,
2,
1,
3,
0,
0,
0
] |
C[NH+]1CCN8CC1.C85=O.c15cccc6c1.c16cnn7c1.c17ccccc1 | [
347.18663777609,
0.23809523809523808,
5,
1,
4,
5,
26,
3,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] |
Cc1cc4ncc15.c15nc7nc6n1.O7C.N16CCCCCC1.O4C | [
329.185174976,
0.5294117647058824,
7,
0,
3,
7,
24,
4,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
Cc1cc6ncc14.c14ccc(S5(=O)=O)cn1.N35.C3(C)(C)C.O6C | [
335.130362532,
0.375,
6,
1,
2,
7,
23,
4,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
Cc1cc4ncc18.c18ccc6cn1.C76=O.N75.c15nncs1.O4C | [
327.078995656,
0.13333333333333333,
7,
1,
3,
8,
23,
4,
0,
0,
0,
0,
0,
3,
3,
0,
0,
0
] |
c1ccc8cc1.n18cc7cn1.c17cccc2[nH+]c6cn12.[C@@H]16C[NH2+]CCO1 | [
347.17351313218,
0.2,
6,
3,
5,
6,
26,
3,
0,
0,
1,
1,
1,
3,
4,
0,
1,
1
] |
c1ccc8cc1.n18cc7cn1.c17cccc2[nH+]c6cn12.[C@H]16C[NH2+]CCO1 | [
347.17351313218,
0.2,
6,
3,
5,
6,
26,
3,
0,
0,
1,
1,
1,
3,
4,
0,
1,
1
] |
c1ccc7cc1.n17cc6cn1.c16ccc2c(c1)-n1c(noc1=O)CO2 | [
332.0909402439999,
0.05555555555555555,
7,
0,
5,
7,
25,
2,
0,
0,
1,
1,
2,
2,
4,
0,
0,
0
] |
C[NH+]1CCN8CC1.C85=O.c15ccccc16.c16cnn7c1.c17ccccc1 | [
347.18663777609,
0.23809523809523808,
5,
1,
4,
5,
26,
3,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] |
CO8.C87=O.c17cc5cnc16.C46=O.O4C.c15cnn9c1.c19ccccc1 | [
337.10625596000006,
0.1111111111111111,
7,
0,
3,
7,
25,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CCC[C@H]3C.N35.S5(=O)(=O)c1ccc4nc1.c14cnc6cc1C.O6C | [
349.146012596,
0.4117647058823529,
6,
1,
2,
7,
24,
7,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
CCC[C@@H]3C.N35.S5(=O)(=O)c1ccc4nc1.c14cnc6cc1C.O6C | [
349.146012596,
0.4117647058823529,
6,
1,
2,
7,
24,
7,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
Cc1cc6ncc15.c15ccc(S4(=O)=O)cn1.N14CCCCC1.O6C | [
347.130362532,
0.4117647058823529,
6,
0,
3,
7,
24,
4,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
CN6C.S6(=O)(=O)c1cccc5c1.c15cnn4c1.c14ccccc1 | [
327.104147784,
0.11764705882352941,
5,
0,
3,
6,
23,
4,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
Cc1cc6ncc15.c15ncccc1S4(=O)=O.N14CCCCC1.O6C | [
347.130362532,
0.4117647058823529,
6,
0,
3,
7,
24,
4,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
CO8.C87=O.c17ccnc6c15.c15cnn9c1.c19ccccc1.C46=O.O4C | [
337.10625595999994,
0.1111111111111111,
7,
0,
3,
7,
25,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CN6C.S6(=O)(=O)c1cc5ccc1F.c15cnn4c1.c14ccccc1 | [
345.094725972,
0.11764705882352941,
5,
0,
3,
7,
24,
4,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
Cn1cnc2ncnc6c21.c16ccc5cc1.O85.C8C7.[NH+]17CCCCC1 | [
338.19753680809,
0.42105263157894735,
6,
1,
4,
6,
25,
5,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CO8.C89=O.c19cnnc5c1.c15ccc6cc1.O46.C4C7.[NH+]17CCCCC1 | [
342.18121804809,
0.42105263157894735,
6,
1,
3,
6,
25,
6,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CO8.C89=O.c19nccnc15.c15ccc6cc1.O46.C4C7.[NH+]17CCCCC1 | [
342.18121804809,
0.42105263157894735,
6,
1,
3,
6,
25,
6,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
c1cc4ccc18.c18cc6ccn1.C6(N)=O.O74.C7C5.[NH+]15CCCCC1 | [
326.18630342809,
0.3684210526315789,
5,
3,
3,
5,
24,
6,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
c1cc5ccc16.c16ncc2c(n1)NC(=O)C2.O85.C8C7.[NH+]17CCCCC1 | [
339.18155239609,
0.42105263157894735,
6,
2,
4,
6,
25,
5,
0,
0,
2,
2,
1,
1,
2,
0,
1,
1
] |
CO8.C89=O.c19ccc5nn1.c15ccc6cc1.O46.C4C7.[NH+]17CCCCC1 | [
342.18121804809,
0.42105263157894735,
6,
1,
3,
6,
25,
6,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CO8.C89=O.c19cnc5nc1.c15ccc6cc1.O46.C4C7.[NH+]17CCCCC1 | [
342.18121804809,
0.42105263157894735,
6,
1,
3,
6,
25,
6,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CO8.C86=O.c16ccc5c7n1.C47=O.O4C.c15cnn9c1.c19ccccc1 | [
337.10625596000006,
0.1111111111111111,
7,
0,
3,
7,
25,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
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