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3,
0,
1,
1
] |
c1cc6c(F)cc15.C75.[NH+]17CCOCC1.c16ccc2[nH]nc(N)c2c1 | [
327.16156590009007,
0.2777777777777778,
5,
4,
4,
6,
24,
3,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] |
c1ccc6c7c1.C87.[NH+]18CCC5CC1.C5[NH3+].c16ccc2[nH]nc(N)c2c1 | [
337.2255487041801,
0.35,
5,
7,
4,
5,
25,
4,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] |
c1cc7cc6c1.c16ccc2[nH]nc(N)c2c1.C87.[NH+]18CCC5CC1.C5[NH3+] | [
337.22554870418,
0.35,
5,
7,
4,
5,
25,
4,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] |
c1cncc7c1.c17nnc2ccc6cn12.c16ccc2[nH]nc(N)c2c1 | [
327.1232434160001,
0,
7,
3,
5,
7,
25,
2,
0,
0,
0,
0,
1,
4,
5,
0,
0,
0
] |
c1cc5c(F)cc16.c16ccc2[nH]nc(N)c2c1.C75.[NH+]17CCOCC1 | [
327.16156590008995,
0.2777777777777778,
5,
4,
4,
6,
24,
3,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] |
Cc1cscc15.c15ccccc1S6(=O)=O.N64.C14CC[NH2+]CC1 | [
337.10389633209,
0.375,
4,
3,
3,
6,
22,
4,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
Cc1cscc15.c15cccc(S6(=O)=O)c1.N64.C14CC[NH2+]CC1 | [
337.10389633209,
0.375,
4,
3,
3,
6,
22,
4,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
Cc1cscc15.c15ccc(S6(=O)=O)cc1.N64.C14CC[NH2+]CC1 | [
337.10389633209,
0.375,
4,
3,
3,
6,
22,
4,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CO4.c14cc5ccc1Cl.c15ccc6cn1.C76=O.N17CCOCC1 | [
332.092770084,
0.29411764705882354,
5,
0,
3,
6,
23,
3,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CO5.c15cc4ccc1Cl.c14ncnc2[nH]cc(S(C)(=O)=O)c12 | [
337.02878992399997,
0.14285714285714285,
6,
1,
3,
8,
22,
3,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
C[NH+]1CCN7CC1.C76=O.c16ccnc5c1.c15ccc(Cl)c4c1.O4C | [
346.13168101209,
0.3333333333333333,
5,
1,
3,
6,
24,
3,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CO7.c17cc5ccc1Cl.c15ccc4nn1.N14CCC6CC1.C6(N)=O | [
346.119653528,
0.35294117647058826,
6,
2,
3,
7,
24,
4,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CO5.c15cc4ccc1Cl.c14ccc8c6n1.C76=O.O7C.C38=O.O3C | [
335.05605022799995,
0.1875,
6,
0,
2,
7,
23,
4,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC3.N35.S5(=O)(=O)c1cccnc14.c14ccc(Cl)c6c1.O6C | [
326.04919102,
0.21428571428571427,
5,
1,
2,
7,
21,
5,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CO6.c16cc5ccc1Cl.c15cc2c(nn1)CCN4C2.C74=O.O7C | [
333.08801905199994,
0.3125,
6,
0,
3,
7,
23,
2,
0,
0,
1,
1,
1,
1,
2,
0,
0,
0
] |
CO7.c17cc5ccc1Cl.c15cc4ncn1.N14CCC6CC1.C6(N)=O | [
346.119653528,
0.35294117647058826,
6,
2,
3,
7,
24,
4,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CO4.c14cc8ccc1Cl.c18ccc6nn1.C76=O.N75.C15CCOCC1 | [
347.103669116,
0.35294117647058826,
6,
1,
3,
7,
24,
4,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
CN1C(=O)[C@H]2CCCN2c2nc5ncc21.c15ccc(Cl)c6c1.O6C | [
344.104003464,
0.35294117647058826,
6,
0,
4,
7,
24,
2,
0,
0,
2,
2,
1,
1,
2,
0,
1,
1
] |
CO6.c16cc5ccc1Cl.c15nc4c2ccccc2n1.C4C(N)=O | [
327.077454368,
0.11764705882352941,
5,
2,
3,
6,
23,
4,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CO7.c17cc5ccc1Cl.c15ccc(S4(=O)=O)cn1.N46.C16CC1 | [
338.04919102,
0.26666666666666666,
5,
1,
3,
7,
22,
5,
0,
1,
0,
1,
1,
1,
2,
1,
0,
1
] |
CO5.c15cc4ccc1Cl.c14cccc(Nn2c(O)ccc2O)n1 | [
331.07236898799994,
0.0625,
6,
3,
3,
7,
23,
4,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CN(OC)C5=O.c15c(F)cc4cc1F.c14ccc2[nH]nc(N)c2c1 | [
332.108482128,
0.125,
6,
3,
3,
8,
24,
3,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
c1cc(F)ccc15.C75.n17nc6ccc1=O.c16ccc2[nH]nc(N)c2c1 | [
335.11823828800004,
0.05555555555555555,
6,
3,
4,
7,
25,
3,
0,
0,
0,
0,
2,
2,
4,
0,
0,
0
] |
CN3C.S3(=O)(=O)c1ccc4nc1.c14ccc(Cl)c5c1.O5C | [
326.04919102,
0.21428571428571427,
5,
0,
2,
7,
21,
4,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
c1ccnc7c1.c17nnc2ccc6cn12.c16ccc2[nH]nc(N)c2c1 | [
327.1232434160001,
0,
7,
3,
5,
7,
25,
2,
0,
0,
0,
0,
1,
4,
5,
0,
0,
0
] |
c1cc5cc(F)c1.C75.n17nccc6c1=O.c16ccc2[nH]nc(N)c2c1 | [
335.11823828800004,
0.05555555555555555,
6,
3,
4,
7,
25,
3,
0,
0,
0,
0,
2,
2,
4,
0,
0,
0
] |
c1ccc(F)c5c1.C75.n17nc6ccc1=O.c16ccc2[nH]nc(N)c2c1 | [
335.11823828800004,
0.05555555555555555,
6,
3,
4,
7,
25,
3,
0,
0,
0,
0,
2,
2,
4,
0,
0,
0
] |
c1cc5cc(F)c1.C75.n17cc6ncc1=O.c16ccc2[nH]nc(N)c2c1 | [
335.11823828800004,
0.05555555555555555,
6,
3,
4,
7,
25,
3,
0,
0,
0,
0,
2,
2,
4,
0,
0,
0
] |
CC3.N35.S5(=O)(=O)c1ccc4nc1.c14ccc(Cl)c6c1.O6C | [
326.04919102,
0.21428571428571427,
5,
1,
2,
7,
21,
5,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CO7.c17cc6ccc1Cl.c16nc5c2[nH]cnc2n1.N15CCOCC1 | [
345.099252432,
0.3125,
7,
1,
4,
8,
24,
3,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CO7.c17ccc5cc1.n15ccc6cc1=O.c16ccc2[nH]nc(N)c2c1 | [
332.1273257520001,
0.05263157894736842,
6,
3,
4,
6,
25,
3,
0,
0,
0,
0,
2,
2,
4,
0,
0,
0
] |
CO4.c14cc5ccc1Cl.c15cnc2c(c1)C[C@@H]6C(=O)N2.C76=O.O7C | [
346.07203463999997,
0.23529411764705882,
6,
1,
3,
7,
24,
3,
0,
0,
1,
1,
1,
1,
2,
0,
0,
0
] |
CO4.c14cc5ccc1Cl.c15cnc2c(c1)C[C@H]6C(=O)N2.C76=O.O7C | [
346.07203463999997,
0.23529411764705882,
6,
1,
3,
7,
24,
3,
0,
0,
1,
1,
1,
1,
2,
0,
0,
0
] |
c1cc7ccc16.C87=O.N85.[C@H]15CC[C@H]([NH3+])CC1.c16ccc2[nH]nc(N)c2c1 | [
350.19753680809004,
0.3,
6,
7,
4,
6,
26,
3,
0,
1,
0,
1,
2,
1,
3,
1,
0,
1
] |
c1cc2[nH]nc(N)c2cc16.c16ccc(F)c5c1F.C75.[NH+]17CCOCC1 | [
345.1521440880901,
0.2777777777777778,
5,
4,
4,
7,
25,
3,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] |
c1cc2[nH]nc(N)c2cc16.c16ccc2c(c1)C1(CCOCC1)C(=O)N2 | [
334.1429758160001,
0.2631578947368421,
6,
4,
5,
6,
25,
1,
0,
0,
2,
2,
2,
1,
3,
0,
1,
1
] |
CO7.c17cccc5c1.n15cc6ccc1=O.c16ccc2[nH]nc(N)c2c1 | [
332.1273257520001,
0.05263157894736842,
6,
3,
4,
6,
25,
3,
0,
0,
0,
0,
2,
2,
4,
0,
0,
0
] |
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