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[C-]#[N+]5.c15cnc2c(ccn2C4=O)c1.O43.C3(C)(C)C | [
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O=S(=O)(N2NC(O)=Nc1ncncn1.c12ccccc1 | [
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CO5.c15ccccc12.C42.O46.c16ccc3cc1C.C3(=O)C(C)=CN(C)C | [
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CC(C)[C@@H]4C.[NH2+]43.[C@@H]3(C)C(O)=Nc1ccc(F)c(F)c1F | [
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Cc1cnc7o1.C57.N56.C643.c14cccc(F)c1.c13cccc(Cl)c1 | [
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C=N/C=C\2.C12[C@@H](C)[C@H]1C | [
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CC9.N694.C47.c17ccc%10cc1.C3%10.N3(C)C.C6(=O)C5.c15c[nH]c2ccc8cc12.O8C | [
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CC(O)CC3.N32.C12CCSC1 | [
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CC1(C)CC(N=c2[nH]c6ncc2F)CC(C)(C)N1.N65.c15ccc8c9c1.O78.C17CCS(=O)(=O)CC1.O9C(F)F | [
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Cc1ccc2c(c1)CCCN25.C5(=O)C3.O36.C6C(O)=NC4.c14cccnc1 | [
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CC[C@@H]3CC#N.N32.C12CCCC1 | [
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CS(=O)(=O)c1ccc4cc1.C64=O.N685.C87.C17CC1.C15CCN9CC1.C9CC%10.c1%10ccccc1 | [
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CC4.c14ccc7cc1.C57=O.N56.C6C(C)C3.c13ccccc1 | [
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CC5.N53.C36.c16nnc4o1.c14ccn(C)c(=O)c1 | [
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Cc1csc4n1.N14CCN5C[C@H]1C.C5C(O)=NC6.c16ccccn1 | [
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1
] |
Cc1nc4ccc1Br.O43.c13ccc(I)cc15.C5(=O)O | [
432.88105324799994,
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Cc1ccc4cc1.C4CNN=C(O)C17COC(c2ccc6cc2)=N1.C7CS(=O)(=O)c1ccccc1.O56.C5CCO | [
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3,
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Cc1ncc(Br)cc1N=C(O)N1CC(C)(C)C12.c12ccncc1 | [
374.074223328,
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CO3.C123CCC(=O)COCC(C)(CO1)CO2 | [
230.115423676,
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0,
3,
3
] |
N#Cc1ccc4cc1.C4N=C(O)c1c[nH]c2cc(Cl)ccc12 | [
309.066889684,
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O=S3(=O)c1ccccc1.N13CCN[C@@H]2C1.C2O | [
256.088163372,
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Cc1cc2c3c(c1)-n1c4ccc7cc4c4cc6cc(c41)B3N(c1ccc3c(c1)C(C)(C)CCC3(C)C)c1cc3ccccc3cc1-2.c17ccccc1.c16ccccc1 | [
744.3675798400001,
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CC(C)(C)CC3CO.N32.C24.c14cc(C#N)cs1 | [
252.12963426,
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0,
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N#CC=3S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C1=3CCC2(CC1)OCCO2 | [
489.065632972,
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Cc1ccnc(N=C(O)C2CCN(C(O)=NCC3=O)CC2)c1.N3(C)C | [
347.19573966,
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25,
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0,
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1,
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1,
0,
1,
1
] |
CO7.c17ccc(N=C(O)C5C)cc18.N15CCN6CC1.C64=O.c14ccc(Cl)cc1.O8C | [
431.16118399199996,
0.36363636363636365,
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CO7.C7C%10.O%10%11.C%11C5.O54.C4C(=N)O.O=C6O.C16CC(C8=CSC2CCN12.O8%12.c1%12ccc(Cl)cc19.c19nc(O)c2cc(Cl)ccc2n1 | [
680.1474404080001,
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0,
1,
1
] |
OCC6.[C@H]16CN9CC[NH+]17.C19CCN8CC1.c18ccc2c(c1)CCC2.C7CC5.c15ccccc1 | [
448.33223938409,
0.5862068965517241,
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33,
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2,
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2,
0,
2,
2
] |
CO5.C53=O.c13ccc8cc1.N84.c14cc6ccc17.C6(=O)O.O7C | [
301.09502258000003,
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22,
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0,
0,
2,
0,
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] |
CO3.C3C2C.O24.c14c(F)cc(C#N)cc1F | [
227.075785032,
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0,
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CCCC3.n13c(=O)nc(O)c2c1nc9n2C.C79.O57.C5(=O)C=4C#N.C=4c1cc(C)n6c1C.C6C8.O8C | [
482.2277680600001,
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35,
10,
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0,
0,
0,
0,
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3,
0,
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0
] |
Cc1ccc9cc1.O89.C8C5.N65C.C6(=O)C4.c14csc7n1.c17ccsc1 | [
372.09661988,
0.2631578947368421,
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0,
0,
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C[C@H]6[C@@H]5O.c15ccccc1.N16C[C@@H]2[C@H]3c4ccccc4[C@H](c4ccccc43)[C@@H]2C1 | [
381.209264484,
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29,
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4,
3,
0,
3,
0,
1,
1
] |
CC(C)C(C)(C)C3.N32.C24.C14CCCN(C)C1 | [
226.24089895999998,
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1,
1,
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16,
5,
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0,
1,
1,
0,
0,
0,
0,
1,
1
] |
CO4.c14ccc6nn1.C56=O.N5C1CC(C)(C)c2ccccc21 | [
297.14772684800005,
0.35294117647058826,
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1,
3,
5,
22,
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1,
0,
1,
1,
1,
2,
0,
0,
0
] |
CC4.O43.c13cc8ccc12.C8CC(=O)O.O62.C6C7.O75.c15cc(C)cc(C)c1 | [
358.17802393200003,
0.38095238095238093,
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26,
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0,
0,
0,
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2,
0,
0,
0
] |
CC3.O3C(=S)S2.C24(C)C.C14CC=C(CCC(=O)C(Cl)Cl)CC1 | [
382.059477368,
0.75,
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0,
1,
6,
22,
7,
0,
1,
0,
1,
0,
0,
0,
0,
0,
0
] |
O=C1OCC2=C1[C@@H]3Sc1ccccc1N2.c13ccc(F)cc1 | [
313.057277844,
0.11764705882352941,
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1,
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5,
22,
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0,
0,
2,
2,
2,
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2,
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