phanvancongthanh/pubchem_bioassay · Datasets at Hugging Face

PUBCHEM_CID float64 4 168M	PUBCHEM_EXT_DATASOURCE_SMILES stringlengths 1 819
1,387,536	CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N
283,138	CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=CC=C4)O
126,565	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O
46,189,839	CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC
44,444,269	CN1C(=CN=C1/C=C\2/C(=O)C3=CC=CC=C3O2)[N+](=O)[O-]
44,444,297	CN1C(=CN=C1/C=C\2/C(=O)C3=C(O2)C(=CC=C3)OC)[N+](=O)[O-]
386,514	CN(C)CCNC(=O)C1=CC=C(C2=CC3=CC=CC=C3N=C12)OC.Cl
44,444,295	CC1=C2C(=CC=C1)C(=O)/C(=C/C3=NC=C(N3C)[N+](=O)[O-])/O2
44,444,285	CN1C(=CN=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC)[N+](=O)[O-]
91,973,278	COC1=CC=C(C=C1)C2=C(NN=C2)C3=CC(=C(C(=C3)OC)OC)OC
6,711,181	CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H](C([C@]34CO4)O2)O)OC(=O)C)C)COC(=O)C
38,777	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(=O)N(C)C)Cl)N)N)C
285,095	C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)Br
285,033	CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O
5,468,914	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC(=CC=C3)Cl
148,673	COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl
386,588	CC1=CC2=C(NC(=CC2=O)C3=CC(=CC=C3)Cl)N=C1
44,195,571	CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)C
422,111	CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C
2,807,476	C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC=CS4)C#N)N
44,439,004	COC1=CC=C(C=C1)C2=C(ON=C2)C3=CC(=C(C(=C3)OC)OC)OC
44,439,006	COC1=CC=C(C=C1)C2=C(C=NO2)C3=CC(=C(C(=C3)OC)OC)OC
10,029,621	C[C@H]1C(=C([C@H]2C#C/C=C\C#C[C@H]3[C@]14[C@]2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=CC=CC=C7C6=O)O)OC)C(=O)OC
378,011	CC1=C2C=CN=C(C2=CC3=C1N(C4=C3C=C(C=C4)O)C)C(=O)NCCN(C)C.Cl
148,802	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)N
155,512,053	COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl
378,074	C1=CC2=C(C3=NC=CC4=C5C=CC(=CC5=NC(=C43)C2=O)Br)N=C1
2,250,489	COC1=CC=CC(=C1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N
9,828,310	CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=NC2=O)N)(F)F)O
299,664	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O
299,645	CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O
24,194,755	C[N+]1=C2C=C(C=CC2=C(C3=CC=CC=C31)NC4=CC=C(C=C4)NS(=O)(=O)CCCCN=C(N)N)N.Br.[Br-]
155,528,737	C1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(S3)C(=N)N
299,517	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C#N)N
387,194	C1=CC2=C(C3=NC=CC4=C5C=C(C=CC5=NC(=C43)C2=O)Br)N=C1
387,193	CN(C)CCC1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4
5,468,977	CN(C)/C=C/C1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4
871,153	COC1=CC2=C(C=C1)C(=O)C=C(O2)C(Cl)(Cl)Cl
17,325,420	COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)CC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)OC
377,155	CCN1CCN=C2C3=C(C=CC(=C3)OC)N4C=NC5=C4C2=C1C=C5
377,156	COC1=CC2=C(C=C1)N3C=NC4=C3C5=C(C=C4)N(CCN=C25)CCO
16,686,045	CCCC[Sn-](CCCC)(CCCC)OC(=O)C(C)C
25,842	CCCC[Pb](CCCC)(CCCC)Cl
5,351,247	CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-]
296,105	CCSC(=O)N1C(C=CC2=C1C=CC(=C2)OC)C#N
5,468,976	CN(C)/C=C/C1=C2C(=NC3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O
425,430	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C4=CC=CC=C43)C(=O)NC(CCC(=O)O)C(=O)O
5,383,620	C/C=C/1\C[C@@H]2C(NC3=CC(=C(C=C3C(=O)N2C1)OC)O)OC
91,518	CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)OC(=O)C)C)COC(=O)C
46,207,586	C1=CC(=CC(=C1)F)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)CCO)N
387,284	CC1=CC2=C(C(=O)C3=C(C2=O)C(OC4C3OC(=O)C4)(C)C)N=C1
300,936	C[Sn](C)(C)SC(=S)N1CCOCC1
54,598,405	CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCN)C.Cl
155,812,962	CC1=CC(=NN1C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)OC)C
54,610,484	CC1=C2C=CN=CC2=C(C3=C1N(C4=C3C=C(C=C4)OC)CCCN)C.Cl
123,617	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5OC)N=C4C3=C2)O
300,573	C1=CC=C2C(=C1)C=CC=C2C3NC4=C(C=C(C=C4)Cl)C(=O)N3
300,572	C1=CC=C(C=C1)COC2=CC=CC(=C2)C3NC4=CC=CC=C4C(=O)N3
300,567	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)N)C#N)N
5,458,385	C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@]2(C(=O)N[C@H]4CC5=CC=CC=C5)OC(=O)O/C=C/[C@@](C1=O)(C)O)C)C
86,288,942	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@]([C@@H]1C[C@@H]1C9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
295,934	CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)N(C(=O)C=C3C)C
386,904	CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CC=CO3)C
23,645,070	CNCC#CC1=C(C=CC2=C1/C(=C/C3=C(C=CN3)OC)/C(=O)N2)F
386,890	CC1=CC2=C(C=C1)C(=C(C(=O)C2=O)C)C3=C(C(=O)C(=O)C4=C3C=CC(=C4)C)C
9,823,288	COC1=C(NC=C1)/C=C\2/C3=C(C=CC(=C3C#CC4(CCNCC4)O)F)NC2=O
5,467,768	CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3
377,425	CC1=CC2=C(NC(=CC2=O)C3=CC=CC=C3)N=C1
377,426	CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=CC=C3
54,686,377	CC1=CCCC([C@@]12CC3=C4C2=C(C=C(C4=C(C5=C3[C@@H]([C@]6(CC(=O)C(=C([C@]6(C5=O)O)O)C(=O)N)O)O)O)O)OC)(C)C
377,427	C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)N=CC=C3
148,674	COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.CS(=O)(=O)O
12,254,669	CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.Cl
24,193,683	CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=C3C=C(C=C4)OC)C)C)C.[I-]
3,086,380	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C)C.[I-]
24,193,640	CC1=C(C=CC(=C1)N(CCCCl)CCCCl)C=NC2=CC(=CC=C2)Cl.Cl
54,606,606	C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)NO)/C(=N\O)/N.Cl
290,525	COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=C(C=C(C=C4)NS(=O)(=O)C)OC)Cl.CS(=O)(=O)O
10,257,261	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
377,395	CCOC1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4
3,745,174	COC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)Br)C4=CNC5=C4C=C(C=C5)Br
5,327,654	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54
5,281,304	CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O
25,183,872	B([C@H](CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)O
155,813,013	CN(C(=S)C1=CC=CC=C1)[N-]C(=O)CC(=O)[N-]N(C)C(=S)C2=CC=CC=C2.[Cu+2]
155,808,214	CCOC(=O)C1=CC2=C(N1CC3=CC(=C(C(=C3)OC)OC)OC)C4=C(CCC2)C=NO4
16,686,044	CCCC[Sn-](CCCC)(CCCC)OC1=CC(=C(C=C1Cl)Cl)Cl
33,463	COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCl
438,692	CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C)C=CC=C3O
3,025,986	CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3
9,570,560	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)C6=CC=CC=C6)/C)O)N)O.Cl
25,262,792	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C
5,468,960	CCOC1=C(C=C2/C(=N\O)/C[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O
5,327,685	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)OC)C
5,874,389	C1=CC=C2C(=C1)C=CN=C2/C=N\NC(=S)N
5,327,683	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)Cl)C
54,603,534	C[C@@H]1/C=C/C(=C[C@H]2C=C[C@@H]3[C@H]([C@]2(/C=C/C(=C\C=C\C(=O)O[C@H]1/C(=C/[C@@H](C)NC(=O)C)/C)/C)C)C[C@@H](C[C@@H]3OC(=O)N)OC)C
30,840	CC1=CC(=C2C(=C1O)C(=O)C34C5C6C(C3C(=O)C7=C(C8=C(C=C(C(=C8C(=O)C67C(C5O)C(=O)C4=C2O)O)C)O)O)O)O
65,411	CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4(C2=O)O7)COC6=O)C
46,907,787	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C

1,387,536

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N

283,138

CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=CC=C4)O

126,565

C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O

46,189,839

CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC

44,444,269

CN1C(=CN=C1/C=C\2/C(=O)C3=CC=CC=C3O2)[N+](=O)[O-]

44,444,297

CN1C(=CN=C1/C=C\2/C(=O)C3=C(O2)C(=CC=C3)OC)[N+](=O)[O-]

386,514

CN(C)CCNC(=O)C1=CC=C(C2=CC3=CC=CC=C3N=C12)OC.Cl

44,444,295

CC1=C2C(=CC=C1)C(=O)/C(=C/C3=NC=C(N3C)[N+](=O)[O-])/O2

44,444,285

CN1C(=CN=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC)[N+](=O)[O-]

91,973,278

COC1=CC=C(C=C1)C2=C(NN=C2)C3=CC(=C(C(=C3)OC)OC)OC

6,711,181

CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H](C([C@]34CO4)O2)O)OC(=O)C)C)COC(=O)C

38,777

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(=O)N(C)C)Cl)N)N)C

285,095

C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)Br

285,033

CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O

5,468,914

CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC(=CC=C3)Cl

148,673

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl

386,588

CC1=CC2=C(NC(=CC2=O)C3=CC(=CC=C3)Cl)N=C1

44,195,571

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)C

422,111

CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C

2,807,476

C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC=CS4)C#N)N

44,439,004

COC1=CC=C(C=C1)C2=C(ON=C2)C3=CC(=C(C(=C3)OC)OC)OC

44,439,006

COC1=CC=C(C=C1)C2=C(C=NO2)C3=CC(=C(C(=C3)OC)OC)OC

10,029,621

C[C@H]1C(=C([C@H]2C#C/C=C\C#C[C@H]3[C@]14[C@]2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=CC=CC=C7C6=O)O)OC)C(=O)OC

378,011

CC1=C2C=CN=C(C2=CC3=C1N(C4=C3C=C(C=C4)O)C)C(=O)NCCN(C)C.Cl

148,802

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)N

155,512,053

COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl

378,074

C1=CC2=C(C3=NC=CC4=C5C=CC(=CC5=NC(=C43)C2=O)Br)N=C1

2,250,489

COC1=CC=CC(=C1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N

9,828,310

CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=NC2=O)N)(F)F)O

299,664

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O

299,645

CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O

24,194,755

C[N+]1=C2C=C(C=CC2=C(C3=CC=CC=C31)NC4=CC=C(C=C4)NS(=O)(=O)CCCCN=C(N)N)N.Br.[Br-]

155,528,737

C1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(S3)C(=N)N

299,517

C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C#N)N

387,194

C1=CC2=C(C3=NC=CC4=C5C=C(C=CC5=NC(=C43)C2=O)Br)N=C1

387,193

CN(C)CCC1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4

5,468,977

CN(C)/C=C/C1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4

871,153

COC1=CC2=C(C=C1)C(=O)C=C(O2)C(Cl)(Cl)Cl

17,325,420

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)CC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)OC

377,155

CCN1CCN=C2C3=C(C=CC(=C3)OC)N4C=NC5=C4C2=C1C=C5

377,156

COC1=CC2=C(C=C1)N3C=NC4=C3C5=C(C=C4)N(CCN=C25)CCO

16,686,045

CCCC[Sn-](CCCC)(CCCC)OC(=O)C(C)C

25,842

CCCC[Pb](CCCC)(CCCC)Cl

5,351,247

CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-]

296,105

CCSC(=O)N1C(C=CC2=C1C=CC(=C2)OC)C#N

5,468,976

CN(C)/C=C/C1=C2C(=NC3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O

425,430

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C4=CC=CC=C43)C(=O)NC(CCC(=O)O)C(=O)O

5,383,620

C/C=C/1\C[C@@H]2C(NC3=CC(=C(C=C3C(=O)N2C1)OC)O)OC

91,518

CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)OC(=O)C)C)COC(=O)C

46,207,586

C1=CC(=CC(=C1)F)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)CCO)N

387,284

CC1=CC2=C(C(=O)C3=C(C2=O)C(OC4C3OC(=O)C4)(C)C)N=C1

300,936

C[Sn](C)(C)SC(=S)N1CCOCC1

54,598,405

CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCN)C.Cl

155,812,962

CC1=CC(=NN1C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)OC)C

54,610,484

CC1=C2C=CN=CC2=C(C3=C1N(C4=C3C=C(C=C4)OC)CCCN)C.Cl

123,617

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5OC)N=C4C3=C2)O

300,573

C1=CC=C2C(=C1)C=CC=C2C3NC4=C(C=C(C=C4)Cl)C(=O)N3

300,572

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3NC4=CC=CC=C4C(=O)N3

300,567

C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)N)C#N)N

5,458,385

C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@]2(C(=O)N[C@H]4CC5=CC=CC=C5)OC(=O)O/C=C/[C@@](C1=O)(C)O)C)C

86,288,942

CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@]([C@@H]1C[C@@H]1C9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC

295,934

CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)N(C(=O)C=C3C)C

386,904

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CC=CO3)C

23,645,070

CNCC#CC1=C(C=CC2=C1/C(=C/C3=C(C=CN3)OC)/C(=O)N2)F

386,890

CC1=CC2=C(C=C1)C(=C(C(=O)C2=O)C)C3=C(C(=O)C(=O)C4=C3C=CC(=C4)C)C

9,823,288

COC1=C(NC=C1)/C=C\2/C3=C(C=CC(=C3C#CC4(CCNCC4)O)F)NC2=O

5,467,768

CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3

377,425

CC1=CC2=C(NC(=CC2=O)C3=CC=CC=C3)N=C1

377,426

CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=CC=C3

54,686,377

CC1=CCCC([C@@]12CC3=C4C2=C(C=C(C4=C(C5=C3[C@@H]([C@]6(CC(=O)C(=C([C@]6(C5=O)O)O)C(=O)N)O)O)O)O)OC)(C)C

377,427

C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)N=CC=C3

148,674

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.CS(=O)(=O)O

12,254,669

CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.Cl

24,193,683

CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=C3C=C(C=C4)OC)C)C)C.[I-]

3,086,380

CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C)C.[I-]

24,193,640

CC1=C(C=CC(=C1)N(CCCCl)CCCCl)C=NC2=CC(=CC=C2)Cl.Cl

54,606,606

C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)NO)/C(=N\O)/N.Cl

290,525

COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=C(C=C(C=C4)NS(=O)(=O)C)OC)Cl.CS(=O)(=O)O

10,257,261

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

377,395

CCOC1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4

3,745,174

COC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)Br)C4=CNC5=C4C=C(C=C5)Br

5,327,654

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

5,281,304

CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O

25,183,872

B([C@H](CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)O

155,813,013

CN(C(=S)C1=CC=CC=C1)[N-]C(=O)CC(=O)[N-]N(C)C(=S)C2=CC=CC=C2.[Cu+2]

155,808,214

CCOC(=O)C1=CC2=C(N1CC3=CC(=C(C(=C3)OC)OC)OC)C4=C(CCC2)C=NO4

16,686,044

CCCC[Sn-](CCCC)(CCCC)OC1=CC(=C(C=C1Cl)Cl)Cl

33,463

COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCl

438,692

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C)C=CC=C3O

3,025,986

CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3

9,570,560

CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)C6=CC=CC=C6)/C)O)N)O.Cl

25,262,792

C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C

5,468,960

CCOC1=C(C=C2/C(=N\O)/C[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O

5,327,685

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)OC)C

5,874,389

C1=CC=C2C(=C1)C=CN=C2/C=N\NC(=S)N

5,327,683

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)Cl)C

54,603,534

C[C@@H]1/C=C/C(=C[C@H]2C=C[C@@H]3[C@H]([C@]2(/C=C/C(=C\C=C\C(=O)O[C@H]1/C(=C/[C@@H](C)NC(=O)C)/C)/C)C)C[C@@H](C[C@@H]3OC(=O)N)OC)C

30,840

CC1=CC(=C2C(=C1O)C(=O)C34C5C6C(C3C(=O)C7=C(C8=C(C=C(C(=C8C(=O)C67C(C5O)C(=O)C4=C2O)O)C)O)O)O)O

65,411

CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4(C2=O)O7)COC6=O)C

46,907,787

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C