data/esol/train.csv

,selfies,prop,smiles
0,[O] [C] [C] [O] [C] [Branch2] [Ring2] [Ring1] [O] [C] [C] [O] [C] [Branch1] [#C] [O] [C] [Branch1] [Ring1] [C] [#N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring2] [Ring1] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring2] [Ring1] [=N] [O],-0.974,OCC3OC(OCC2OC(OC(C#N)c1ccccc1)C(O)C(O)C2O)C(O)C(O)C3O 
1,[C] [C] [O] [C] [=C] [C] [=Ring1] [Branch1] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.885,Cc1occc1C(=O)Nc2ccccc2
2,[C] [C] [Branch1] [C] [C] [=C] [C] [C] [C] [Branch1] [C] [C] [=C] [C] [=O],-2.579,CC(C)=CCCC(C)=CC(=O)
3,[C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=C],-6.617999999999999,c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc43
4,[C] [C] [=C] [S] [C] [=Ring1] [Branch1],-2.232,c1ccsc1
5,[C] [=C] [C] [=C] [S] [C] [=N] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2],-2.733,c2ccc1scnc1c2 
6,[Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [Branch2] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [C] [=C] [Ring1] [#Branch1] [Cl],-6.545,Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cccc2Cl
7,[C] [C] [C] [C] [C] [C] [Branch1] [S] [C] [C] [C] [=C] [C] [Branch1] [C] [O] [=C] [C] [=C] [Ring1] [O] [Ring1] [#Branch1] [C] [Ring1] [#C] [C] [C] [C] [Ring2] [Ring1] [C] [O],-4.138,CC12CCC3C(CCc4cc(O)ccc34)C2CCC1O
8,[C] [O] [C] [=C] [C] [O] [C] [C] [O] [C] [=C] [C] [C] [Branch2] [Ring1] [N] [O] [C] [Ring1] [Branch1] [=C] [C] [=C] [Ring1] [=Branch2] [C] [=Branch1] [C] [=O] [C] [Ring1] [=C] [C] [=Ring2] [Ring1] [C] [C] [=C] [Ring2] [Ring1] [=Branch1] [O] [C] [C] [Branch1] [C] [C] [=C],-5.246,COc5cc4OCC3Oc2c1CC(Oc1ccc2C(=O)C3c4cc5OC)C(C)=C 
9,[O] [=C] [C] [C] [C] [N] [Ring1] [Branch1],0.243,O=C1CCCN1
10,[Cl] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2],-4.063,Clc1ccc2ccccc2c1
11,[C] [C] [C] [C] [=C],-2.01,CCCC=C
12,[C] [C] [C] [Branch1] [N] [C] [=Branch1] [C] [=O] [N] [C] [N] [C] [Ring1] [#Branch1] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-1.897,CCC1(C(=O)NCNC1=O)c2ccccc2
13,[C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C],-5.45,CCCCCCCCCCCCCC
14,[C] [C] [Branch1] [C] [C] [Cl],-1.585,CC(C)Cl
15,[C] [C] [C] [Branch1] [C] [C] [C] [O],-1.027,CCC(C)CO
16,[C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [O] [C] [=C] [C] [Branch1] [C] [C] [=N] [C] [=Branch1] [Ring2] [=N] [Ring1] [#Branch1] [C] [Branch1] [C] [C] [C],-3.989,CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C
17,[C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [Branch1] [C] [C] [O],-3.096,CCCCCCCCCC(C)O
18,[Cl] [C] [=C] [C] [=C] [Branch1] [Branch2] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [Cl],-6.627000000000001,Clc1ccc(c(Cl)c1)c2c(Cl)ccc(Cl)c2Cl 
19,[O] [=C] [NH1] [C] [C] [C] [C] [C] [=Ring1] [Branch1] [C] [=Branch1] [C] [=O] [N] [Ring1] [#Branch2] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1],-3.355,O=c2[nH]c1CCCc1c(=O)n2C3CCCCC3
20,[C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [S] [C] [S] [C] [C],-3.747,CCOP(=S)(OCC)SCSCC
21,[C] [C] [O] [C] [=C] [C] [=C] [Branch1] [#Branch1] [N] [C] [=Branch1] [C] [=O] [C] [C] [=C] [Ring1] [#Branch2],-2.342,CCOc1ccc(NC(=O)C)cc1
22,[C] [C] [C] [C] [C] [C] [C] [O],-1.751,CCCCCCCO
23,[C] [N] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C] [N] [=C] [NH1] [C] [=Ring1] [Branch1] [C] [Ring1] [O] [=O],-1.452,Cn1c(=O)n(C)c2nc[nH]c2c1=O
24,[Cl] [C] [Branch1] [C] [Cl] [=C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1],-6.553,ClC(Cl)=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2
25,[C] [C] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C],-2.608,CCCCCCCC(=O)OC
26,[C] [C] [C] [=C] [C] [=C] [Branch1] [Ring1] [C] [C] [C] [=C] [Ring1] [Branch2],-3.633,CCc1ccc(CC)cc1
27,[C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [S] [C] [S] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C],-4.367,CCOP(=S)(OCC)SCSC(C)(C)C
28,[C] [O] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [Branch2] [Ring1] [C] [O] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [#Branch1] [=C] [Ring1] [P],-4.229,COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
29,[Cl] [C] [=Branch1] [C] [=C] [Cl],-1.939,ClC(=C)Cl
30,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [=Branch2],-4.478,Cc1cccc2c1Cc3ccccc32
31,[N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.857,N(c1ccccc1)c2ccccc2
32,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [S] [C] [C] [C] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.297,CN(C)C(=O)SCCCCOc1ccccc1
33,[C] [C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Branch1] [O] [C] [C] [C] [S] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [C],-4.637,CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C
34,[C] [C] [C] [C] [C] [C] [C] [I],-3.904,CCCCCCCI
35,[C] [=C] [Branch1] [C] [Cl] [C] [=C] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.685,c1c(Cl)cccc1c2ccccc2
36,[O] [=C] [N] [C] [=Branch1] [C] [=O] [C] [Branch1] [=Branch1] [C] [C] [C] [Ring1] [Ring2] [C] [=Branch1] [C] [=O] [N] [Ring1] [O],-0.527,O=C2NC(=O)C1(CCC1)C(=O)N2
37,[C] [C] [Branch1] [C] [C] [C] [C] [C] [C] [Branch1] [C] [C] [C] [C] [Ring1] [#Branch1] [O],-2.782,CC(C)C1CCC(C)CC1O 
38,[C] [C] [Branch1] [C] [C] [O] [C] [=O],-0.684,CC(C)OC=O
39,[C] [C] [C] [C] [C] [C] [Branch1] [C] [C] [O],-1.6780000000000002,CCCCCC(C)O
40,[C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [#Branch1],-3.012,CC(=O)Nc1ccc(Br)cc1
41,[C] [=C] [Branch1] [C] [C] [C] [=C] [N] [=C] [Branch1] [C] [C] [C] [=C] [C] [Ring1] [#Branch1] [=C] [Ring1] [N],-3.342,c2c(C)cc1nc(C)ccc1c2 
42,[C] [C] [C] [C] [C] [C] [C] [#C],-2.509,CCCCCCC#C
43,[C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [C] [=C] [Ring1] [#C] [Ring1] [#Branch2],-5.568,c1ccc2c(c1)ccc3c4ccccc4ccc23
44,[C] [C] [C] [Branch1] [C] [C] [N] [C] [=Branch1] [C] [=O] [NH1] [C] [Branch1] [C] [C] [=C] [Branch1] [C] [Br] [C] [Ring1] [=Branch2] [=O],-3.419,CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O 
45,[Cl] [C] [=C] [C] [=C] [C] [=Branch1] [Branch1] [=C] [Ring1] [=Branch1] [Cl] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [Cl],-7.185,Clc1cccc(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl 
46,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O],-2.281,Cc1ccccc1O
47,[C] [C] [Branch1] [C] [C] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C],-3.631,CC(C)CCC(C)(C)C
48,[C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [C] [=C] [Ring1] [#Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring2] [Ring1] [C] [Ring1] [=Branch1],-5.931,Cc1cc2c3ccccc3ccc2c4ccccc14
49,[C] [C] [C] [C] [=Branch1] [C] [=O] [C],-0.846,CCCC(=O)C
50,[Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [=Branch1] [Branch1] [=C] [Ring1] [Branch2] [Cl] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [Cl],-8.304,Clc1cc(Cl)c(Cl)c(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl 
51,[C] [C] [C] [O] [C] [=Branch1] [C] [=O] [C] [C],-1.545,CCCOC(=O)CC
52,[C] [C] [C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [F] [C] [Branch1] [P] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Ring1] [N] [Ring1] [#Branch1] [C] [C] [Ring2] [Ring1] [C] [C] [C] [Branch1] [C] [O] [C] [Ring2] [Ring1] [=Branch1] [Branch1] [C] [O] [C] [=Branch1] [C] [=O] [C] [O],-2.734,CC34CC(O)C1(F)C(CCC2=CC(=O)C=CC12C)C3CC(O)C4(O)C(=O)CO
53,[C] [C] [N] [C] [=N] [C] [Branch1] [C] [Cl] [=N] [C] [=Branch1] [Ring2] [=N] [Ring1] [#Branch1] [N] [Branch1] [Ring1] [C] [C] [C] [C],-3.233,CCNc1nc(Cl)nc(n1)N(CC)CC
54,[N] [C] [=Branch1] [C] [=O] [C] [=C] [N] [=C] [C] [=N] [Ring1] [=Branch1],-0.674,NC(=O)c1cnccn1
55,[C] [C] [C] [Branch1] [C] [Br] [Branch1] [Ring1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [Branch1] [C] [N] [=O],-2.198,CCC(Br)(CC)C(=O)NC(N)=O
56,[Cl] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Cl],-4.984,Clc1ccccc1c2ccccc2Cl 
57,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [Ring2] [C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.36,O=C1NC(=O)NC(=O)C1(CC=C)c1ccccc1
58,[C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [C],-1.899,CCCCC(=O)OCC
59,[O] [=C] [N] [Branch1] [N] [C] [O] [C] [=Branch1] [C] [=O] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [Ring2] [N] [Ring1] [#C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.1530000000000005,O=C1N(COC(=O)CCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3
60,[Cl] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [Cl],-5.7620000000000005,Clc1cccc(c1)c2cc(Cl)ccc2Cl 
61,[C] [C] [C] [Br],-1.949,CCCBr
62,[C] [C] [C] [C] [C] [O] [C] [Branch1] [=Branch2] [C] [N] [C] [=N] [C] [=N] [Ring1] [Branch1] [Branch1] [Ring2] [O] [Ring1] [O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [Cl],-4.603,CCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl
63,[C] [C] [=N] [C] [=N] [C] [=N] [C] [=C] [N] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-1.24,Cc1ncnc2nccnc12
64,[N] [C] [=Branch1] [C] [=S] [N],0.3289999999999999,NC(=S)N
65,[C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [Ring1] [#Branch1],-3.035,Cc1ccc(C)cc1
66,[C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C],-3.6010000000000004,CCc1ccccc1CC
67,[Cl] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [Cl],-4.215,ClC(Cl)(Cl)C(Cl)(Cl)Cl
68,[C] [C] [Branch1] [C] [C] [C] [Branch2] [Ring1] [=C] [C] [=Branch1] [C] [=O] [O] [C] [Branch1] [Ring1] [C] [#N] [C] [=C] [C] [=C] [C] [Branch1] [#Branch2] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [Ring1] [=N] [C] [=C] [C] [=C] [Branch1] [#Branch1] [O] [C] [Branch1] [C] [F] [F] [C] [=C] [Ring1] [#Branch2],-6.877999999999999,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3
69,[C] [C] [N] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring1] [P] [Ring1] [=Branch1],-4.423,CCN2c1cc(Cl)ccc1NC(=O)c3cccnc23 
70,[C] [C] [C] [C] [Branch1] [C] [C] [C] [Branch1] [Ring2] [C] [C] [=C] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=S] [N] [C] [Ring1] [O] [=O],-3.063,CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O 
71,[C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [N] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-4.957,c1ccc2c(c1)c3cccc4cccc2c34
72,[C] [C] [C] [O] [C] [Branch1] [C] [C] [C],-1.354,CCCOC(C)C
73,[C] [C] [=C] [C] [Branch1] [C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [O],-4.147,Cc1cc(C)c2ccccc2c1
74,[C] [C] [C] [=Branch1] [P] [=C] [Branch1] [Ring1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1],-5.074,CCC(=C(CC)c1ccc(O)cc1)c2ccc(O)cc2 
75,[C] [Branch1] [Ring1] [C] [#N] [=C] [Branch1] [C] [Cl] [C] [Branch1] [Ring1] [C] [#N] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [Ring1] [=N],-3.995,c1(C#N)c(Cl)c(C#N)c(Cl)c(Cl)c(Cl)1
76,[C] [O] [C] [Ring1] [Ring1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-1.826,C1OC1c2ccccc2 
77,[C] [C] [C] [C] [C] [C] [Branch1] [P] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [O] [Ring1] [#Branch1] [C] [C] [Ring1] [S] [C] [C] [C] [Ring2] [Ring1] [Ring1] [C] [=Branch1] [C] [=O] [C] [O],-3.939,CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1C(=O)CO
78,[C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring1] [=Branch2] [O],0.601,C1OC(O)C(O)C(O)C1O
79,[Cl] [C] [Cl],-1.156,ClCCl
80,[C] [C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-4.1,CCc1cccc2ccccc12
81,[C] [O] [C] [=O],-0.048,COC=O
82,[C] [C] [=C] [NH1] [C] [=Branch1] [C] [=O] [NH1] [C] [Ring1] [#Branch1] [=O],-0.78,Cc1c[nH]c(=O)[nH]c1=O 
83,[C] [C] [Branch1] [C] [C] [C],-1.891,CC(C)C
84,[O] [C] [C] [O] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [O] [C] [Ring1] [=Branch1] [O] [N] [C] [=N] [C] [=C] [Branch1] [C] [O] [N] [=C] [N] [=C] [Ring1] [#Branch2] [Ring1] [#Branch1],-0.8340000000000001,OCC1OC(C(O)C1O)n2cnc3c(O)ncnc23
85,[C] [C] [C] [C] [C],-2.261,CCCCC
86,[C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O],-1.991,c1ccccc1O
87,[N] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [C] [Ring1] [#Branch2] [=C] [Ring1] [=C],-3.789,Nc3ccc2cc1ccccc1cc2c3 
88,[C] [=C] [C] [=C] [C] [=N] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2],-2.531,c1ccc2cnccc2c1
89,[C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring1] [O] [C] [S] [C] [C] [=Branch1] [C] [=O] [N] [Branch1] [=Branch1] [C] [Branch1] [C] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1],-5.106,COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1
90,[C] [C] [C] [C] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.22,CCCCCCc1ccccc1
91,[Cl] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.5280000000000005,Clc1ccccc1c2ccccc2
92,[C] [C] [C] [C] [=Branch1] [C] [=C] [C],-2.3480000000000003,CCCC(=C)C
93,[C] [C] [Branch1] [C] [C] [C] [Branch1] [C] [C] [C] [Branch1] [C] [C] [C],-3.276,CC(C)C(C)C(C)C
94,[Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [Cl],-5.167999999999999,Clc1cc(Cl)c(Cl)c(Cl)c1Cl
95,[C] [C] [C] [C] [C] [C] [C] [C] [C] [=C],-3.781,CCCCCCCCC=C
96,[C] [C] [Branch1] [C] [C] [C] [Branch1] [#Branch1] [C] [=C] [Branch1] [C] [Cl] [Cl] [C] [Ring1] [Branch2] [C] [=Branch1] [C] [=O] [O] [C] [Branch1] [Ring1] [C] [#N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [Branch1] [#Branch2] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [Ring1] [=C],-6.84,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2
97,[C] [=C] [C] [=N] [C] [=C] [Ring1] [=Branch1],-1.481,c1ccncc1
98,[C] [C] [C] [C] [C] [C] [C] [Br],-3.366,CCCCCCCBr
99,[C] [C] [C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [F] [C] [Branch1] [P] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [N] [Ring1] [#Branch1] [C] [C] [Ring2] [Ring1] [C] [C] [C] [C] [Ring2] [Ring1] [Branch1] [Branch1] [C] [O] [C] [=Branch1] [C] [=O] [C] [O],-3.172,CC34CC(O)C1(F)C(CCC2=CC(=O)CCC12C)C3CCC4(O)C(=O)CO 
100,[C] [C] [S] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [C] [=Branch1] [C] [=O] [N] [C],-2.855,CCSCc1ccccc1OC(=O)NC 
101,[C] [C] [=C] [C] [C] [Branch1] [Branch1] [C] [C] [Ring1] [=Branch1] [C] [Branch1] [C] [C] [=C],-3.429,CC1=CCC(CC1)C(C)=C
102,[C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Ring1] [=Branch2],-3.057,C1Cc2ccccc2C1
103,[O] [=C] [N] [C] [=Branch1] [C] [=O] [C] [Branch1] [Branch1] [C] [C] [Ring1] [Ring1] [C] [=Branch1] [C] [=O] [N] [Ring1] [#Branch2],-0.088,O=C2NC(=O)C1(CC1)C(=O)N2 
104,[Cl] [C] [=C] [C] [=C] [C] [Branch1] [C] [I] [=C] [Ring1] [#Branch1],-4.384,Clc1cccc(I)c1
105,[Br] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-4.434,Brc1cccc2ccccc12
106,[C] [C] [/C] [=C] [/C],-2.076,CC/C=C/C
107,[C] [C] [=C] [C] [=C] [C] [Branch1] [C] [C] [=N] [Ring1] [#Branch1],-2.0980000000000003,Cc1cccc(C)n1
108,[Cl] [C] [=C] [Branch1] [C] [Cl] [Cl],-2.312,ClC=C(Cl)Cl
109,[N] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-2.721,Nc1cccc2ccccc12
110,[O] [C] [=N] [C] [=C] [N] [=C] [C] [=N] [C] [Ring1] [=Branch1] [=N] [Ring1] [#Branch2],-1.404,Oc2ncc1nccnc1n2
111,[C] [O],0.441,CO
112,[C] [C] [C] [Branch1] [Branch2] [C] [C] [C] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [=N] [=O],-2.312,CCC1(CCC(C)C)C(=O)NC(=O)NC1=O
113,[C] [C] [C] [=Branch1] [C] [=O] [C],-0.491,CCC(=O)C
114,[F] [C] [=C] [NH1] [C] [=Branch1] [C] [=O] [NH1] [C] [Ring1] [#Branch1] [=O],-0.792,Fc1c[nH]c(=O)[nH]c1=O 
115,[N] [C] [=N] [C] [=N] [C] [N] [Branch1] [Branch2] [C] [=C] [C] [Ring1] [=Branch2] [=Ring1] [Branch1] [C] [O] [C] [Branch1] [Ring1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring1] [Branch2] [O],-0.892,Nc1ncnc2n(ccc12)C3OC(CO)C(O)C3O 
116,[O] [C] [=C] [C] [=C] [C] [Branch1] [C] [O] [=C] [Ring1] [#Branch1],-1.59,Oc1cccc(O)c1
117,[C] [C] [C] [C] [C] [C] [O],-1.3969999999999998,CCCCCCO
118,[C] [C] [C] [C] [C] [Cl],-2.294,CCCCCCl
119,[C] [=C] [C] [=C],-1.376,C=CC=C
120,[O] [C] [=C] [C] [=C] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2],-3.0860000000000003,Oc2ccc1CCCCc1c2 
121,[N] [C] [=Branch1] [C] [=O] [C] [Cl],-0.106,NC(=O)CCl 
122,[C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring1] [O] [C] [O] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [I] [C] [=C] [Ring1] [Branch2] [Cl],-6.148,COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl
123,[C] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1],-3.297,Cc1ccc(Cl)cc1
124,[C] [C] [=C] [C] [=C] [Branch2] [Ring1] [=C] [O] [P] [=Branch1] [C] [=O] [Branch1] [=N] [O] [C] [=C] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [#Branch1] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [C] [=C] [Ring2] [Ring1] [=Branch2],-6.39,Cc1ccc(OP(=O)(Oc2cccc(C)c2)Oc3ccccc3C)cc1
125,[C] [C] [C] [C] [C] [C] [=O],-1.457,CCCCCC=O
126,[C] [C] [C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [C] [N] [C] [=C] [Ring1] [#Branch1],-3.039,CCCCOC(=O)c1ccc(N)cc1
127,[O] [C] [=C] [C] [Branch1] [C] [C] [=C] [C] [=C] [Ring1] [#Branch1] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Branch1] [C] [N] [=C] [N] [=C] [Ring2] [Ring1] [Ring1] [Ring1] [#Branch1],-3.049,O2c1cc(C)ccc1N(C)C(=O)c3cc(N)cnc23 
128,[C] [C] [Branch1] [C] [C] [=C] [C] [C] [/C] [Branch1] [C] [C] [=C] [\C] [O],-2.603,CC(C)=CCC/C(C)=C\CO
129,[O] [=C] [N] [Branch1] [=C] [C] [O] [C] [=Branch1] [C] [=O] [C] [C] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [Ring2] [N] [Ring1] [P] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.84,O=C1N(COC(=O)CCCCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3
130,[Cl] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [Cl],-4.546,Clc1ccc(Cl)c(Cl)c1Cl
131,[C] [C] [C] [C] [Branch1] [C] [C] [Branch1] [Branch2] [C] [O] [C] [Branch1] [C] [N] [=O] [C] [O] [C] [Branch1] [C] [N] [=O],-1.376,CCCC(C)(COC(N)=O)COC(N)=O 
132,[C] [C] [=Branch1] [C] [=O] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [C] [Branch1] [C] [O] [C] [C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [C] [C] [C] [Ring2] [Ring1] [Ring1] [Ring1] [S] [C],-4.342,CC(=O)C3CCC4C2CC=C1CC(O)CCC1(C)C2CCC34C 
133,[O] [=C] [N] [Branch1] [=N] [C] [O] [C] [=Branch1] [C] [=O] [C] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [Ring2] [N] [Ring1] [S] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.496,O=C1N(COC(=O)CCCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3
134,[C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [Ring1] [=Branch2],-2.015,CC1=CC(=O)CC(C)(C)C1 
135,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [Ring1] [C] [C] [C] [Branch1] [C] [C] [C] [C],-1.958,O=C1NC(=O)NC(=O)C1(CC)C(C)CC
136,[C] [C] [C] [C] [C] [=Branch1] [C] [=O] [C] [C] [C] [C],-2.329,CCCCC(=O)CCCC
137,[C] [C] [C] [Branch1] [N] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [#Branch1] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.591,CCC1(CCC(=O)NC1=O)c2ccccc2 
138,[C] [C] [C] [Branch1] [C] [C] [C] [C],-2.6,CCC(C)CC
139,[C] [C] [O] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [O] [C] [C] [=C] [C] [=C] [C] [Branch1] [#Branch2] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [Ring1] [=N],-6.896,CCOc1ccc(cc1)C(C)(C)COCc3cccc(Oc2ccccc2)c3
140,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [C] [Branch1] [C] [C] [=N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Ring1] [O] [=O],-3.881,Cc1ccccc1n3c(C)nc2ccccc2c3=O
141,[Cl] [C] [C] [#N],-0.4479999999999999,ClCC#N
142,[C] [C] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [Ring1] [#Branch1] [C] [C] [C] [C] [Ring1] [O] [C] [C] [C] [Branch1] [C] [C] [C] [Ring1] [#Branch1] [C] [C] [C] [Ring1] [=Branch1] [Branch1] [C] [O] [C] [#C],-3.858,CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C#C 
143,[C] [=C] [C] [=N] [N] [=C] [Ring1] [=Branch1],-0.619,c1ccnnc1
144,[Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2],-4.621,Clc1cc(Cl)c(Cl)c(Cl)c1
145,[C] [C] [Branch1] [C] [O] [C] [C] [C] [Branch1] [C] [C] [C] [C] [C] [C] [C] [Branch1] [C] [C] [C] [Branch1] [C] [C] [C] [C] [O] [C] [C] [Branch1] [C] [C] [C] [C] [Ring1] [#Branch1] [O] [C] [Ring1] [N] [C] [C] [Ring1] [S] [C] [Ring2] [Ring1] [Ring2] [C] [=C] [Ring2] [Ring1] [=Branch2] [Ring2] [Ring1] [=C],-5.681,C1C(O)CCC2(C)CC3CCC4(C)C5(C)CC6OCC(C)CC6OC5CC4C3C=C21
146,[N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O],-1.465,Nc1ccccc1O
147,[C] [C] [C] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [C],-3.3160000000000003,CCCCCCCCC(=O)OCC
148,[C] [O] [C] [C] [=Branch1] [C] [=O] [N] [Branch1] [O] [C] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Ring1] [#Branch1] [C],-2.87,COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C 
149,[C] [N] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [C] [Branch1] [C] [C] [C],-2.4090000000000003,CNC(=O)Oc1ccccc1OC(C)C
150,[C] [C] [C] [Branch1] [C] [C] [Cl],-1.94,CCC(C)Cl
151,[O] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2],-3.08,Oc1ccc2ccccc2c1
152,[C] [C] [Branch1] [C] [C] [O] [C] [=C] [C] [=Branch1] [#Branch2] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [Cl] [N] [N] [=C] [Branch1] [=Branch1] [O] [C] [Ring1] [Branch1] [=O] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C],-5.265,CC(C)Oc1cc(c(Cl)cc1Cl)n2nc(oc2=O)C(C)(C)C
153,[C] [C] [C] [C] [C] [#C],-1.801,CCCCC#C
154,[C] [C] [C] [C] [C] [C] [C] [C] [#C],-2.864,CCCCCCCC#C
155,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Cl],-3.297,Cc1ccccc1Cl
156,[C] [C] [Branch1] [C] [C] [O] [C] [Branch1] [C] [C] [C],-1.281,CC(C)OC(C)C
157,[N] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [C] [N] [C] [=C] [Ring1] [#Branch1],-2.464,Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2
158,[C] [N] [N],0.5429999999999999,CNN
159,[C] [C] [#C],-0.672,CC#C
160,[C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [O] [N] [=C] [Branch1] [Ring1] [C] [#N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.557,CCOP(=S)(OCC)ON=C(C#N)c1ccccc1
161,[C] [C] [N] [P] [=Branch1] [C] [=S] [Branch1] [Ring1] [O] [C] [O] [C] [=Branch1] [N] [=C] [C] [=Branch1] [C] [=O] [O] [C] [Branch1] [C] [C] [C] [C],-2.826,CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C
162,[C] [=C] [C] [=O],-0.184,C=CC=O
163,[O] [=C] [NH1] [C] [=N] [C] [N] [=C] [NH1] [C] [Ring1] [=Branch2] [=Ring1] [Branch1],-0.6559999999999999,O=c1[nH]cnc2nc[nH]c12 
164,[O] [C] [=C] [C] [=C] [N] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2],-2.725,Oc2ccc1ncccc1c2 
165,[F] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.514,Fc1ccccc1
166,[C] [C] [C] [Cl],-1.585,CCCCl
167,[C] [C] [O] [C] [=Branch1] [C] [=O] [C],-0.77,CCOC(=O)C
168,[C] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C],-2.938,CCCC(C)(C)C
169,[C] [C] [C] [C] [C] [Branch1] [Branch1] [C] [C] [Ring1] [=Branch1] [C] [Branch1] [C] [C] [Branch1] [C] [C] [O] [Ring1] [#Branch2],-2.579,CC12CCC(CC1)C(C)(C)O2 
170,[C] [C] [C] [C] [O] [C] [=Branch1] [C] [=O] [C] [C] [C] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [C] [C] [C],-4.726,CCCCOC(=O)CCCCCCCCC(=O)OCCCC
171,[Cl] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1],-5.299,Clc1ccc(cc1)c2ccc(Cl)cc2 
172,[C] [C] [=C] [C] [=C] [N] [=C] [Ring1] [=Branch1] [C],-2.067,Cc1cccnc1C
173,[C] [C] [=Branch1] [C] [=C] [C] [C] [C] [=C] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2],-2.042,CC(=C)C1CC=C(C)C(=O)C1
174,[C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [S] [C] [S] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1],-5.827999999999999,CCOP(=S)(OCC)SCSc1ccc(Cl)cc1
175,[C] [O] [C] [=C] [C] [=Branch1] [O] [=C] [C] [Branch1] [Ring1] [O] [C] [=C] [Ring1] [Branch2] [O] [C] [C] [C] [Branch1] [#Branch1] [C] [O] [C] [Ring1] [Branch1] [=O] [C] [Branch2] [Ring1] [#Branch1] [O] [C] [O] [C] [C] [O] [C] [Branch1] [C] [C] [O] [C] [Ring1] [#Branch1] [C] [Branch1] [C] [O] [C] [Ring1] [N] [O] [C] [=C] [C] [O] [C] [O] [C] [=Ring1] [Branch1] [C] [=C] [Ring2] [Ring1] [#C] [Ring1] [=Branch2],-3.292,COc1cc(cc(OC)c1O)C6C2C(COC2=O)C(OC4OC3COC(C)OC3C(O)C4O)c7cc5OCOc5cc67
176,[C] [=C] [C] [=C] [C] [=C] [C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Branch1] [=N] [C] [=Branch1] [Branch1] [=C] [Ring2] [Ring1] [C] [C] [Ring1] [P] [=Ring1] [=N] [=C] [Ring1] [=Branch2] [Ring1] [=N],-6.007000000000001,c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
177,[C] [=C] [Branch1] [C] [Br] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [O] [Ring1] [=Branch1],-4.434,c1c(Br)ccc2ccccc12 
178,[C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [O] [C] [N] [=C] [Branch1] [C] [Cl] [N] [Branch1] [Ring2] [N] [=Ring1] [=Branch1] [C] [Branch1] [C] [C] [C],-3.76,CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)C
179,[C] [C] [=Branch1] [C] [=C] [C] [=C],-1.714,CC(=C)C=C
180,[C] [C] [Branch1] [C] [C] [=C] [C] [C] [C] [Branch1] [C] [O] [Branch1] [C] [C] [C] [=C],-2.399,CC(C)=CCCC(O)(C)C=C
181,[C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring1] [O] [C] [O] [C] [=C] [C] [=C] [Branch1] [Ring1] [S] [C] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2],-4.265,COP(=S)(OC)Oc1ccc(SC)c(C)c1
182,[O] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1],-1.261,OC1CCCCC1
183,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [C] [C] [C] [C] [=C],-1.013,O=C1NC(=O)NC(=O)C1(C)CC=C
184,[C] [C] [C] [C] [C] [C] [Branch1] [P] [C] [C] [C] [C] [C] [Branch1] [C] [O] [C] [C] [C] [Ring1] [O] [Ring1] [#Branch1] [C] [C] [Ring1] [S] [C] [C] [C] [Ring2] [Ring1] [Ring1] [=O],-3.882,CC34CCC1C(CCC2CC(O)CCC12C)C3CCC4=O
185,[O] [C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [O],0.647,OCC(O)C(O)C(O)C(O)CO 
186,[C] [C] [N] [C] [=N] [C] [Branch1] [C] [Cl] [=N] [C] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [C] [=N] [Ring1] [O],-3.069,CCNc1nc(Cl)nc(NC(C)C)n1
187,[N] [C] [=Branch1] [C] [=S] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-1.7009999999999998,NC(=S)Nc1ccccc1
188,[C] [C] [C] [C] [=Branch1] [C] [=O] [C] [C] [C],-1.62,CCCC(=O)CCC
189,[C] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C],-1.25,CC(=O)C(C)(C)C
190,[O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1],-2.761,Oc1ccc(Cl)cc1
191,[O] [=C] [C] [C] [C] [C] [C] [Ring1] [=Branch1],-0.996,O=C1CCCCC1
192,[C] [C] [=C] [C] [=C] [C] [Branch1] [C] [N] [=C] [Ring1] [#Branch1],-1.954,Cc1cccc(N)c1
193,[Cl] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [C] [#N],-2.019,ClC(Cl)(Cl)C#N
194,[C] [N] [C] [C] [=N] [N] [Branch2] [Ring1] [Ring1] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [=Branch1] [C] [=O] [C] [=Ring1] [P] [Cl],-4.029,CNc2cnn(c1cccc(c1)C(F)(F)F)c(=O)c2Cl
195,[C] [C] [N] [Branch1] [Ring1] [C] [C] [C] [=N] [C] [Branch1] [C] [Cl] [=N] [C] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [C] [=N] [Ring1] [O],-3.497,CCN(CC)c1nc(Cl)nc(NC(C)C)n1
196,[C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [C] [N] [C] [=C] [Ring1] [#Branch1],-2.383,CCOC(=O)c1ccc(N)cc1
197,[Cl] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2],-4.083,Clc1ccc(Cl)c(Cl)c1
198,[C] [C] [=N] [N] [=C] [C] [N] [=C] [Branch1] [#Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [N] [Ring2] [Ring1] [=Branch1] [Ring2] [Ring1] [Ring1],-3.948,Cc3nnc4CN=C(c1ccccc1Cl)c2cc(Cl)ccc2n34
199,[C] [C] [N] [C] [=N] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring1] [P] [Ring1] [=Branch1],-2.794,CCN2c1ncccc1N(C)C(=O)c3cccnc23 
200,[C] [S] [C],-0.758,CSC
201,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Br],-3.667,Cc1ccccc1Br
202,[C] [C] [O] [C] [=Branch1] [C] [=O] [N],-0.218,CCOC(=O)N
203,[C] [C] [=Branch1] [C] [=O] [O] [C] [Branch2] [Ring2] [Ring2] [C] [C] [C] [C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [=N] [C] [C] [C] [Ring2] [Ring1] [Ring2] [Ring1] [P] [C] [C] [Branch1] [C] [C] [=O],-4.417,CC(=O)OC3(CCC4C2C=C(C)C1=CC(=O)CCC1(C)C2CCC34C)C(C)=O 
204,[C] [C] [Branch1] [C] [C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [C] [C],-1.6469999999999998,CC(C)C(O)C(C)C
205,[C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2],-3.468,c1ccc2ccccc2c1
206,[O] [=C] [N] [C] [=Branch1] [C] [=O] [C] [Branch1] [Ring2] [N] [Ring1] [=Branch1] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.057,O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3
207,[C] [O] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [=N] [C] [=C] [C] [=C] [Branch1] [Ring1] [O] [C] [C] [=C] [Ring1] [Branch2] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [Cl],-5.537999999999999,COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl
208,[O] [=C] [N] [Branch1] [O] [C] [O] [C] [=Branch1] [C] [=O] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [Ring2] [N] [Ring1] [=C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.81,O=C1N(COC(=O)CCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3
209,[O] [C] [Branch1] [=Branch2] [C] [N] [C] [=N] [C] [=N] [Ring1] [Branch1] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [F],-3.569,OC(Cn1cncn1)(c2ccc(F)cc2)c3ccccc3F
210,[C] [C] [=Branch1] [C] [=O] [O] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [O] [C] [Branch2] [Ring2] [#Branch1] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [Branch1] [C] [F] [C] [Branch1] [C] [O] [C] [C] [Ring2] [Ring1] [=Branch1] [Ring2] [Ring1] [C] [C] [O] [C] [Branch1] [C] [C] [=O],-3.876,CC(=O)OCC(=O)C3(O)C(CC4C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC34C)OC(C)=O 
211,[C] [C] [C] [C] [Br],-2.303,CCCCBr
212,[Br] [C] [=C] [C] [Branch1] [C] [Br] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [Branch2] [Br],-6.001,Brc1cc(Br)c(Br)cc1Br
213,[C] [C] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [C],-1.1840000000000002,CC(C)CC(=O)C
214,[C] [C] [S] [C] [=Branch1] [C] [=O] [N] [Branch1] [Ring1] [C] [C] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1],-3.35,CCSC(=O)N(CC)C1CCCCC1 
215,[C] [C] [Branch1] [C] [C] [C] [Branch1] [#Branch1] [C] [=C] [Branch1] [C] [Br] [Br] [C] [Ring1] [Branch2] [C] [=Branch1] [C] [=O] [O] [C] [Branch1] [Ring1] [C] [#N] [C] [=C] [C] [=C] [C] [Branch1] [#Branch2] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [Ring1] [=N],-7.44,CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2
216,[C] [C] [C] [Branch1] [C] [C] [C] [Branch1] [Ring2] [C] [C] [=C] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [O] [=O],-2.06,CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O
217,[I] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-4.888999999999999,Ic1cccc2ccccc12
218,[O] [C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [O],0.647,OCC(O)C(O)C(O)C(O)CO
219,[C] [C] [S],-0.968,CCS
220,[Cl] [C] [C] [Branch1] [C] [Cl] [Cl],-1.961,ClCC(Cl)Cl
221,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [Branch1] [C] [C] [=N] [N] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.141,CN(C)C(=O)Oc1cc(C)nn1c2ccccc2
222,[N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O],-1.942,NC(=O)c1ccccc1O
223,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [=Branch1] [C] [Branch1] [C] [C] [C] [C] [Branch1] [C] [C] [C],-1.942,O=C1NC(=O)NC(=O)C1(C(C)C)C(C)C
224,[C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C],-3.2960000000000003,CCc1ccccc1C
225,[C] [C] [C] [C] [C] [C] [C] [Cl],-3.003,CCCCCCCCl
226,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [Ring1] [C] [C] [C] [C],-1.265,O=C1NC(=O)NC(=O)C1(CC)CC
227,[C] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.301,C(Cc1ccccc1)c2ccccc2
228,[C] [C] [N] [C] [=C] [C] [Branch1] [Ring1] [O] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring2] [Ring1] [Ring1] [Ring1] [=Branch1],-4.228,CCN2c1cc(OC)cc(C)c1NC(=O)c3cccnc23 
229,[C] [C] [=C] [C] [=C] [C] [Branch1] [=N] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [#Branch2] [=C] [Ring1] [=C],-4.87,Cc1ccc2c(ccc3ccccc32)c1
230,[C] [C] [C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [O] [C] [C] [C] [C],-4.378,CCCCOC(=O)c1ccccc1C(=O)OCCCC 
231,[C] [O] [C] [=C] [Branch1] [C] [O] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch2] [Cl],-4.299,COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl 
232,[C] [C] [C] [C] [C] [C] [=Branch1] [S] [=C] [C] [C] [=C] [C] [Branch1] [C] [O] [=C] [C] [=C] [Ring1] [O] [Ring1] [#Branch1] [C] [Ring1] [#C] [C] [C] [C] [Ring2] [Ring1] [C] [=O],-3.555,CC34CCC1C(=CCc2cc(O)ccc12)C3CCC4=O
233,[C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [N] [Branch1] [Ring1] [C] [=O] [C] [=N] [C] [Branch1] [C] [Cl] [=C] [C] [Branch1] [Ring1] [O] [C] [=N] [Ring1] [=Branch2],-3.719,CCOC(=O)c1ccccc1S(=O)(=O)NN(C=O)c2nc(Cl)cc(OC)n2
234,[C] [C] [C] [C] [C] [C] [Cl],-2.648,CCCCCCCl
235,[Cl] [C] [=C] [C] [=Branch1] [=N] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [Cl],-8.468,Clc1cc(c(Cl)c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl
236,[O] [C] [C] [O] [C] [Branch1] [Ring1] [C] [O] [Branch2] [Ring2] [#Branch2] [O] [C] [O] [C] [Branch2] [Ring1] [=Branch1] [C] [O] [C] [O] [C] [Branch1] [Ring1] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring1] [#Branch2] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring2] [Ring1] [Branch1] [O] [C] [Branch1] [C] [O] [C] [Ring2] [Ring1] [#C] [O],0.496,OCC1OC(CO)(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O
237,[C] [C] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring1] [P] [Ring1] [=Branch1],-3.471,CCN2c1ccccc1N(C)C(=O)c3cccnc23 
238,[C] [C] [Branch1] [C] [Cl] [Cl],-1.5759999999999998,CC(Cl)Cl
239,[N] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [S] [Branch1] [C] [N] [=Branch1] [C] [=O] [=O],-0.954,Nc1ccc(cc1)S(N)(=O)=O
240,[Cl] [C] [C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [C] [Ring1] [#Branch2] [Cl],-4.009,ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
241,[C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [O] [C] [Branch1] [C] [C] [C],-4.538,CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C
242,[Cl] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [Cl],-4.008,Clc1cccc(Cl)c1Cl
243,[Cl] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [Cl],-2.607,ClC(Cl)(Cl)Cl
244,[C] [C] [Branch1] [C] [O] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [C] [C] [C] [Ring1] [S] [Ring2] [Ring1] [Ring2] [C],-4.073,CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
245,[C] [C] [O] [C] [=C] [C] [=C] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [N] [=O] [C] [=C] [Ring1] [#Branch2],-2.167,CCOc1ccc(NC(N)=O)cc1
246,[C] [/C] [C] [C] [C] [Branch1] [C] [\C] [C] [C] [Ring1] [#Branch1],-3.305,C/C1CCC(\C)CC1
247,[C] [=C] [N] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=N] [C] [=C] [C] [=C] [Ring1] [O] [Ring1] [=Branch1],-2.994,c1cnc2c(c1)ccc3ncccc23
248,[C] [O] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C],-0.984,COC(C)(C)C
249,[C] [O] [C] [=C] [C] [=C] [Branch1] [Ring2] [C] [=C] [C] [C] [=C] [Ring1] [=Branch2],-3.254,COc1ccc(C=CC)cc1
250,[C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [O],-4.94,CCCCCCCCCCCCCCCCO
251,[O] [=C] [C] [=C] [NH1] [C] [=Branch1] [C] [=O] [NH1] [Ring1] [#Branch1],-0.441,O=c1cc[nH]c(=O)[nH]1 
252,[N] [C] [=N] [C] [=N] [C] [N] [=C] [NH1] [C] [Ring1] [=Branch2] [=Ring1] [Branch1],-1.255,Nc1ncnc2nc[nH]c12 
253,[C] [O] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [O] [Branch1] [=Branch1] [C] [C] [C] [Ring1] [Ring1] [C] [=C] [N] [=C] [N] [=C] [Ring1] [=Branch1],-2.181,COc1ccc(cc1)C(O)(C2CC2)c3cncnc3 
254,[C] [C] [C] [Branch1] [#C] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [Branch2] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.272,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 
255,[Cl] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [Cl],-5.686,Clc1ccc(cc1)c2cccc(Cl)c2Cl 
256,[C] [C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [O] [N] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C] [C] [=C] [Ring1] [N],-2.867,CC(C)c1ccc(NC(=O)N(C)C)cc1
257,[C] [C] [N] [Branch1] [Ring1] [C] [C] [C] [=Branch1] [C] [=O] [C] [S] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [N] [=N] [Ring1] [#Branch1],-2.231,CCN(CC)C(=O)CSc1ccc(Cl)nn1
258,[C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [O],-1.365,CCC(C)(C)CO
259,[C] [C] [C] [O] [C] [=Branch1] [C] [=O] [C] [C] [C],-1.899,CCCOC(=O)CCC
260,[C] [C] [Branch1] [C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [#Branch1] [O] [C] [Branch1] [C] [C] [C] [S] [C] [C] [N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.99,CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1
261,[C] [C] [C] [C] [C] [C] [C] [Ring1] [#Branch1],-2.9160000000000004,C1CCCCCC1
262,[C] [C] [C] [O] [C] [=O],-0.757,CCCOC=O
263,[C] [C] [Branch1] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C],-3.585,CC(C)c1ccccc1C
264,[N] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1],-2.392,Nc1cccc(Cl)c1
265,[C] [C] [Branch1] [C] [C] [C] [C] [Branch1] [C] [C] [C],-2.938,CC(C)CC(C)C
266,[C] [C] [O] [C] [O] [C] [=C] [C] [=C] [Branch1] [#Branch2] [O] [S] [Branch1] [C] [C] [=Branch1] [C] [=O] [=O] [C] [=C] [Ring1] [O] [C] [Ring1] [=C] [Branch1] [C] [C] [C],-3.184,CCOC2Oc1ccc(OS(C)(=O)=O)cc1C2(C)C
267,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F],-3.065,CN(C)C(=O)Nc1cccc(c1)C(F)(F)F
268,[O] [C] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring1] [=Branch2] [O],0.501,OCC1OC(O)C(O)C(O)C1O
269,[C] [C] [=C] [C] [=C] [C] [Branch1] [C] [O] [=C] [Ring1] [#Branch1],-2.313,Cc1cccc(O)c1
270,[C] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Ring1] [=Branch2] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=Branch1] [Ring2] [=C] [Ring1] [#Branch1] [S] [Branch1] [C] [N] [=Branch1] [C] [=O] [=O],-4.345,CC2Cc1ccccc1N2NC(=O)c3ccc(Cl)c(c3)S(N)(=O)=O 
271,[C] [C] [C] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [C] [C] [Branch1] [C] [C] [C] [=C] [C] [=C] [C] [Branch1] [C] [C] [C] [Branch1] [P] [C] [C] [C] [C] [C] [Branch1] [C] [O] [C] [C] [=Branch1] [C] [=O] [O] [Ring1] [Branch2] [C] [Ring2] [Ring1] [=Branch1] [Ring1] [P],-4.731,CCC(C)C(=O)OC2CC(C)C=C3C=CC(C)C(CCC1CC(O)CC(=O)O1)C23 
272,[C] [C] [C] [Branch1] [#C] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [Branch2] [=O] [C] [=C] [C] [C] [C] [C] [C] [Ring1] [#Branch1] [C] [Ring1] [Branch1],-2.781,CCC1(C(=O)NC(=O)NC1=O)C2=CCC3CCC2C3
273,[C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [C],-3.671,CCCCCCCCCC(=O)OCC
274,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-1.847,CN(C)C(=O)Nc1ccccc1
275,[C] [C] [C] [O] [C] [C],-1.072,CCCOCC
276,[C] [C] [Branch1] [C] [C] [O],-0.261,CC(C)O
277,[C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2],-3.802,Cc1ccc2ccccc2c1
278,[Cl] [C] [Branch1] [C] [Br] [Br],-2.54,ClC(Br)Br
279,[C] [C] [C] [Branch1] [P] [C] [Branch1] [Ring1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1],-4.854,CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2
280,[C] [C] [O] [C] [=Branch1] [C] [=O] [C] [C] [Branch1] [N] [S] [P] [=Branch1] [C] [=S] [Branch1] [Ring1] [O] [C] [O] [C] [C] [=Branch1] [C] [=O] [O] [C] [C],-3.391,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
281,[Cl] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.887,ClCc1ccccc1
282,[C] [/C] [=C] [/C] [=O],-0.604,C/C=C/C=O
283,[C] [O] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2],-3.938,CON(C)C(=O)Nc1ccc(Br)c(Cl)c1
284,[C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#C] [Ring1] [=Branch1],-5.228,Cc1c2ccccc2c(C)c3ccccc13
285,[C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C],-1.899,CCCCCC(=O)OC
286,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [Branch2] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [N] [N] [=C] [Branch1] [=Branch1] [O] [C] [Ring1] [Branch1] [=O] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C],-3.831,CN(C)C(=O)Nc1ccc(c(Cl)c1)n2nc(oc2=O)C(C)(C)C
287,[C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1],-2.181,CC(=O)Nc1ccc(F)cc1
288,[C] [=C] [N] [=C] [N] [=C] [Ring1] [=Branch1],-0.884,c1cncnc1
289,[C] [C] [C] [=Branch1] [C] [=O] [O] [C],-0.836,CCC(=O)OC
290,[C] [N] [C] [C] [Branch1] [C] [O] [N] [Branch1] [Branch1] [C] [Ring1] [=Branch1] [=O] [C] [=N] [N] [=C] [Branch1] [Ring2] [S] [Ring1] [Branch1] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C],-2.398,CN1CC(O)N(C1=O)c2nnc(s2)C(C)(C)C
291,[I] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.8,Ic1ccccc1
292,[C] [C] [N] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch2] [Ring1] [Branch1] [C] [=C] [Ring1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [Ring1] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [S] [Branch1] [C] [N] [=Branch1] [C] [=O] [=O],-3.777,CC2Nc1cc(Cl)c(cc1C(=O)N2c3ccccc3C)S(N)(=O)=O 
293,[C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [C] [C] [Branch1] [C] [O] [C] [O] [C] [Branch1] [C] [N] [=O],-1.4280000000000002,COc1ccccc1OCC(O)COC(N)=O
294,[C] [C] [C] [C] [O] [C] [N] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [C] [Cl] [C] [=C] [Branch1] [Ring1] [C] [C] [C] [=C] [C] [=C] [Ring1] [Branch2] [C] [C],-4.347,CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC 
295,[O] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [Cl],-3.144,Oc1cccc(Cl)c1Cl
296,[C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C],-1.1909999999999998,CCCC(=O)OC
297,[C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2],-3.644,CCC(=O)Nc1ccc(Cl)c(Cl)c1
298,[N] [C] [=N] [C] [Branch1] [C] [N] [=C] [N] [=C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [N] [=N] [C] [Ring1] [=N] [=N] [Ring2] [Ring1] [C],-3.051,Nc3nc(N)c2nc(c1ccccc1)c(N)nc2n3
299,[C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [C],-2.254,CCCCCC(=O)OCC
300,[O] [C] [C] [Branch1] [C] [O] [C] [O] [C] [O] [C] [Branch1] [=Branch2] [O] [C] [Ring1] [Branch1] [C] [Ring1] [Branch2] [O] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [Cl],-1.887,OCC(O)C2OC1OC(OC1C2O)C(Cl)(Cl)Cl 
301,[C] [O] [C] [=N] [C] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [C] [=N] [C] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [C] [=N] [Ring1] [=C],-3.448,COc1nc(NC(C)C)nc(NC(C)C)n1
302,[C] [C] [C] [C] [C] [C] [C] [=C],-3.073,CCCCCCC=C
303,[C] [C] [=C] [C] [=C] [Branch1] [C] [N] [C] [=C] [Ring1] [#Branch1],-1.954,Cc1ccc(N)cc1
304,[N] [C] [=N] [C] [=C] [S] [Ring1] [Branch1],-1.226,Nc1nccs1 
305,[C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [C] [=Branch1] [C] [=O] [N] [C],-1.947,c1ccccc1(OC(=O)NC)
306,[C] [C] [C] [C] [Branch1] [C] [O] [C] [C],-1.324,CCCC(O)CC
307,[C] [=C] [C] [=C] [C] [Branch1] [C] [O] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [C] [Ring1] [O] [=C] [Ring1] [#C],-4.148,c3ccc2c(O)c1ccccc1cc2c3 
308,[C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [C] [Ring1] [#Branch2] [=C] [Ring1] [=C],-4.87,Cc1ccc2cc3ccccc3cc2c1
309,[C] [C] [=C] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [#Branch1] [C],-3.312,Cc1cccc(C)c1C
310,[C] [N] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [=C] [Branch1] [=Branch1] [N] [Branch1] [C] [C] [C] [C] [Branch1] [C] [C] [=C] [Ring1] [#Branch2],-2.677,CNC(=O)Oc1ccc(N(C)C)c(C)c1
311,[C] [C] [C] [C] [C] [C] [C] [C] [Branch1] [C] [C] [O],-2.387,CCCCCCCC(C)O
312,[C] [N] [Branch2] [Ring1] [Branch1] [C] [=Branch1] [C] [=O] [N] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.863,CN(C(=O)NC(C)(C)c1ccccc1)c2ccccc2
313,[C] [C] [C] [C] [=Branch1] [C] [=O] [C] [C],-1.266,CCCC(=O)CC
314,[O] [C] [=C] [Branch1] [C] [Br] [C] [=C] [Branch1] [Ring1] [C] [#N] [C] [=C] [Ring1] [=Branch2] [Br],-3.793,Oc1c(Br)cc(C#N)cc1Br 
315,[Cl] [C] [=C] [C] [=C] [Branch1] [=Branch1] [C] [=C] [Ring1] [=Branch1] [Cl] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-5.223,Clc1ccc(cc1Cl)c2ccccc2 
316,[C] [N] [Branch2] [Ring1] [Ring2] [C] [=Branch1] [C] [=O] [C] [O] [C] [=N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [S] [Ring1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.504,CN(C(=O)COc1nc2ccccc2s1)c3ccccc3
317,[O] [C] [=C] [C] [=C] [C] [=N] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-2.725,Oc1cccc2ncccc12 
318,[C] [C] [=C] [Branch1] [#Branch1] [S] [C] [C] [O] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.927,CC1=C(SCCO1)C(=O)Nc2ccccc2
319,[C] [C] [O] [C] [=C] [C] [=C] [N] [=C] [Branch1] [Branch2] [S] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2] [S] [Branch1] [C] [N] [=Branch1] [C] [=O] [=O],-3.085,CCOc2ccc1nc(sc1c2)S(N)(=O)=O 
320,[O] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch2] [Cl],-4.835,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
321,[Cl] [C] [Br],-1.519,ClCBr
322,[C] [C] [=Branch1] [C] [=O] [O] [C] [C] [=Branch1] [C] [=O] [C] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [C] [C] [C] [Ring2] [Ring1] [Ring1] [Ring1] [S] [C],-4.472,CC(=O)OCC(=O)C3CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C 
323,[N] [C] [=Branch1] [C] [=O] [N] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-1.509,NC(=O)NCc1ccccc1 
324,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2],-3.048,CN(C)C(=O)Nc1ccc(C)c(Cl)c1
325,[C] [O] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2],-3.5810000000000004,CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1
326,[O] [C] [C] [C] [C] [C] [C] [C] [Ring1] [#Branch1],-1.7,OC1CCCCCC1
327,[C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [O] [C] [Branch1] [Ring1] [C] [O] [N] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [Cl] [Cl],-1.936,CS(=O)(=O)c1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl 
328,[C] [C] [C] [C] [Branch1] [C] [C] [C] [Branch1] [Ring1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=S] [N] [C] [Ring1] [#Branch2] [=O],-2.96,CCCC(C)C1(CC)C(=O)NC(=S)NC1=O 
329,[C] [C] [=Branch1] [C] [=O] [N] [C] [=N] [N] [=C] [Branch1] [Ring2] [S] [Ring1] [Branch1] [S] [Branch1] [C] [N] [=Branch1] [C] [=O] [=O],-0.7929999999999999,CC(=O)Nc1nnc(s1)S(N)(=O)=O 
330,[Cl] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [C] [C] [C] [C] [Branch1] [Branch1] [C] [=C] [Ring1] [Branch1] [C] [Ring1] [#Branch1] [C] [Ring1] [=N] [Branch1] [C] [Cl] [C] [Ring1] [N] [Branch1] [C] [Cl] [Cl],-5.511,ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl
331,[C] [C] [C] [O] [C] [Ring1] [Branch1],-0.62,C1CCOC1
332,[Cl] [C] [=C] [C] [=C] [C] [=Branch1] [Branch1] [=C] [Ring1] [=Branch1] [Cl] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [Cl],-6.079,Clc1cccc(c1Cl)c2cccc(Cl)c2Cl
333,[C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [Branch1] [S] [N] [Branch1] [Branch1] [C] [Ring1] [=Branch1] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.0760000000000005,CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 
334,[C] [C] [N] [Branch1] [Ring1] [C] [C] [C] [=N] [C] [Branch1] [C] [Cl] [=N] [C] [=Branch1] [Ring2] [=N] [Ring1] [#Branch1] [N] [Branch1] [Ring1] [C] [C] [C] [C],-3.663,CCN(CC)c1nc(Cl)nc(n1)N(CC)CC
335,[Cl] [C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [S] [N] [C] [=Branch1] [C] [=O] [C] [C] [C] [=C] [C] [C] [Ring1] [=Branch1] [C] [Ring1] [#Branch2] [=O],-4.365,ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O 
336,[O] [C] [N] [=C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [N] [C] [Ring2] [Ring1] [C] [=O],-3.517,OC3N=C(c1ccccc1)c2cc(Cl)ccc2NC3=O 
337,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [Branch2] [C] [Branch1] [C] [C] [C] [C] [C] [C] [C] [=C],-2.415,O=C1NC(=O)NC(=O)C1(C(C)CCC)CC=C
338,[C] [Branch1] [C] [O] [=C] [Branch1] [C] [C] [C] [=C] [C] [Branch1] [=Branch1] [C] [Branch1] [C] [C] [C] [=C] [Ring1] [O],-3.224,c1(O)c(C)ccc(C(C)C)c1
339,[Cl] [C] [Branch1] [P] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [C] [Ring1] [Branch2] [Cl] [C] [Branch1] [C] [Cl] [C] [Ring1] [=Branch2] [Branch1] [C] [Cl] [C] [Ring1] [=Branch2] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [C] [Ring1] [N] [Ring1] [#Branch2] [Cl],-5.112,ClC1(C(=O)C2(Cl)C3(Cl)C14Cl)C5(Cl)C2(Cl)C3(Cl)C(Cl)(Cl)C45Cl
340,[C] [C] [N] [Branch1] [Ring1] [C] [C] [C] [=Branch1] [C] [=S] [S] [S] [C] [=Branch1] [C] [=S] [N] [Branch1] [Ring1] [C] [C] [C] [C],-3.862,CCN(CC)C(=S)SSC(=S)N(CC)CC
341,[C] [C] [C] [C] [C] [C] [Ring1] [=Branch1],-2.477,C1CCCCC1
342,[Cl] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [Branch1] [=Branch2] [C] [=Branch1] [Branch1] [=C] [Ring1] [#Branch1] [Cl] [Cl] [C] [Branch1] [C] [Cl] [C] [=Branch1] [=N] [=C] [Branch1] [C] [Cl] [C] [=Branch1] [Branch1] [=C] [Ring1] [#Branch1] [Cl] [Cl] [Cl],-7.848,ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl
343,[C] [C] [C] [C] [C] [=C] [Branch1] [S] [C] [=C] [C] [=C] [C] [Branch1] [C] [O] [=C] [C] [=C] [Ring1] [O] [Ring1] [#Branch1] [C] [Ring1] [#C] [C] [C] [C] [Ring2] [Ring1] [C] [=O],-3.927,CC34CCc1c(ccc2cc(O)ccc12)C3CCC4=O
344,[C] [C] [C] [C] [C] [C] [C] [C] [O],-2.105,CCCCCCCCO
345,[C] [C] [S] [C] [C],-1.598,CCSCC
346,[Cl] [C] [C] [Cl],-1.374,ClCCCl
347,[C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [Cl],-2.278,CCC(C)(C)Cl
348,[Cl] [C] [C] [Br],-1.7380000000000002,ClCCBr
349,[C] [C] [N] [C] [=N] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Branch1] [Ring1] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring2] [Ring1] [C] [Ring1] [=Branch1],-3.125,CCN2c1ncccc1N(CC)C(=O)c3cccnc23 
350,[Cl] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.975,Clc1ccccc1
351,[C] [C] [C] [C] [C] [C] [C] [C] [=C],-3.427,CCCCCCCC=C
352,[Br] [C] [=C] [C] [=C] [Branch1] [C] [I] [C] [=C] [Ring1] [#Branch1],-4.754,Brc1ccc(I)cc1
353,[C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [O] [C] [C],-1.308,CCC(C)(O)CC
354,[C] [C] [C] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.899,CCCCCc1ccccc1
355,[C] [C] [=Branch1] [C] [=O] [O] [C] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [C] [C] [C] [Ring2] [Ring1] [Ring1] [Ring1] [S] [C],-4.449,CC(=O)OC3CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C 
356,[C] [C] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [P] [Ring1] [=Branch1],-4.007,CCN2c1ccccc1N(C)C(=O)c3ccccc23 
357,[C] [C] [C] [C] [C] [Branch1] [C] [C] [O],-1.324,CCCCC(C)O
358,[C] [C] [C] [C] [C] [C] [C] [C] [Ring1] [Branch1],-3.16,CCCC1CCCC1
359,[C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [N] [=C] [N] [Ring1] [Branch1] [C] [Branch1] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.359,CCOC(=O)c1cncn1C(C)c2ccccc2
360,[C] [=C] [C] [=C] [O] [C] [=N] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2],-2.214,c2ccc1ocnc1c2
361,[C] [C] [C] [C] [C] [O],-1.042,CCCCCO
362,[C] [C] [N] [Branch1] [Ring1] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.16,CCN(CC)c1ccccc1
363,[F] [C] [=C] [C] [=C] [C] [Branch1] [C] [F] [=C] [Ring1] [#Branch1],-2.636,Fc1cccc(F)c1
364,[Cl] [C] [C] [C] [#N],-0.522,ClCCC#N 
365,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [Ring1] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.272,O=C1NC(=O)NC(=O)C1(CC)c1ccccc1
366,[C] [N] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [=C] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [O] [C] [Ring1] [O] [=Ring1] [#Branch1],-3.05,CNC(=O)Oc1cccc2CC(C)(C)Oc12
367,[C] [C] [=C] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [#Branch1] [O],-2.589,Cc1cccc(C)c1O
368,[C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.033,c1ccccc1C(O)c2ccccc2
369,[C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C],-3.3160000000000003,CCCCCCCCCC(=O)OC
370,[C] [C] [Branch1] [C] [C] [C] [Br],-2.2880000000000003,CC(C)CBr
371,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [=N] [C] [=Branch1] [#Branch2] [=N] [C] [Branch1] [C] [C] [=C] [Ring1] [#Branch1] [C] [N] [Branch1] [C] [C] [C],-2.34,CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C
372,[C] [C] [C] [C] [C] [C] [Br],-3.012,CCCCCCBr
373,[C] [C] [C] [C] [Branch1] [C] [C] [C],-2.6,CCCC(C)C
374,[C] [C] [=C] [Branch1] [C] [F] [C] [Branch1] [C] [F] [=C] [Branch2] [Ring1] [#C] [C] [O] [C] [=Branch1] [C] [=O] [C] [C] [Branch1] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [Ring1] [#Branch2] [Branch1] [C] [C] [C] [C] [Branch1] [C] [F] [=C] [Ring2] [Ring1] [=Branch2] [F],-6.339,Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F
375,[C] [C] [C] [=C] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [#Branch1] [N] [Branch1] [Branch2] [C] [Branch1] [C] [C] [C] [O] [C] [C] [=Branch1] [C] [=O] [C] [Cl],-3.431,CCc1cccc(C)c1N(C(C)COC)C(=O)CCl 
376,[N] [C] [N] [=C] [NH1] [N] [=Ring1] [Branch1],-0.674,Nc1nc[nH]n1
377,[Br] [C] [Branch1] [C] [Br] [Br],-2.904,BrC(Br)Br
378,[C] [O] [P] [=Branch1] [C] [=O] [Branch1] [Ring1] [O] [C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [Cl],-1.866,COP(=O)(OC)C(O)C(Cl)(Cl)Cl
379,[C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [S] [C] [N] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [O] [Ring1] [#Branch1],-5.024,CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc12
380,[O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-1.699,OCc1ccccc1
381,[O] [=C] [C] [Branch1] [#C] [C] [C] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [#Branch2] [=C] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [Ring2] [Ring1] [Branch1],-5.194,O=c2c(C3CCCc4ccccc43)c(O)c1ccccc1o2 
382,[O] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [#Branch1],-3.132,Oc1ccc(Br)cc1
383,[C] [C] [Branch1] [C] [C] [Br],-1.949,CC(C)Br
384,[C] [C] [Branch1] [C] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C],-3.276,CC(C)CC(C)(C)C
385,[O] [C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [Cl],-6.268,OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
386,[C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [S] [C] [Branch1] [Ring1] [C] [Cl] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Ring1] [#Branch2] [=O],-5.026,CCOP(=S)(OCC)SC(CCl)N2C(=O)c1ccccc1C2=O
387,[Br] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [#Branch1],-4.298,Brc1ccc(Br)cc1
388,[C] [N] [C] [=Branch1] [C] [=O] [O] [N] [Branch1] [#C] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [C] [Ring1] [=C] [=O],-3.6010000000000004,Cn2c(=O)on(c1ccc(Cl)c(Cl)c1)c2=O
389,[O] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.701,Oc1ccc(cc1)c2ccccc2
390,[C] [C] [=C] [Branch1] [#Branch1] [C] [C] [C] [O] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.83,CC1=C(CCCO1)C(=O)Nc2ccccc2 
391,[C] [C] [O] [C] [=C],-0.857,CCOC=C
392,[C] [O] [C] [=N] [C] [=N] [C] [=N] [C] [=C] [N] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-1.589,COc1ncnc2nccnc12 
393,[C] [C] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [O] [C] [C],-2.017,CCCCC(C)(O)CC
394,[O] [=C] [N] [Branch1] [Branch2] [C] [O] [C] [=Branch1] [C] [=O] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [Ring2] [N] [Ring1] [O] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.7230000000000003,O=C1N(COC(=O)C)C(=O)C(N1)(c2ccccc2)c3ccccc3
395,[C] [O] [C] [=N] [C] [=C] [N] [=C] [C] [=N] [C] [Ring1] [=Branch1] [=N] [Ring1] [#Branch2],-1.589,COc2ncc1nccnc1n2
396,[C] [N] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [O] [C] [C] [O] [Ring1] [Branch1],-1.614,CNC(=O)Oc1ccccc1C2OCCO2
397,[C] [N] [Branch1] [N] [C] [=Branch1] [C] [=O] [N] [C] [C] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [=N],-1.508,C1N(C(=O)NCC(C)C)C(=O)NC1
398,[C] [C] [O] [C] [=Branch1] [C] [=O] [N] [C] [C] [O] [C] [=C] [C] [=C] [Branch1] [#Branch2] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring1] [=N],-4.662,CCOC(=O)NCCOc2ccc(Oc1ccccc1)cc2
399,[C] [C] [=Branch1] [C] [=O] [N] [Branch1] [S] [S] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [C] [N] [C] [=C] [Ring1] [#Branch1] [C] [O] [N] [=C] [Branch1] [C] [C] [C] [=Ring1] [=Branch1] [C],-2.024,CC(=O)N(S(=O)c1ccc(N)cc1)c2onc(C)c2C 
400,[Cl] [C] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [Cl],-2.794,ClCC(Cl)(Cl)Cl
401,[C] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [N] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.779,CC1CCCCC1NC(=O)Nc2ccccc2
402,[Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2],-4.159,Clc1cc(Cl)cc(Cl)c1
403,[O] [=C] [C] [=C] [C] [=C] [O] [Ring1] [Branch1],-1.391,O=Cc1ccco1
404,[C] [C] [Branch1] [C] [C] [C] [C] [O],-1.027,CC(C)CCO
405,[O] [=C] [C] [=C] [C] [=C] [O] [C] [O] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2],-2.033,O=Cc2ccc1OCOc1c2 
406,[C] [C] [=Branch1] [C] [=C] [C],-1.5730000000000002,CC(=C)C
407,[O] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-1.999,O=Cc1ccccc1
408,[C] [C] [O] [C] [=Branch1] [C] [=O] [C] [C] [N] [Branch2] [Ring1] [=C] [S] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [=C] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [O] [C] [=Ring1] [#Branch1] [Ring1] [O] [C] [Branch1] [C] [C] [C],-5.132999999999999,CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc21)C(C)C
409,[O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring1] [P] [Ring1] [=Branch1],-2.7710000000000004,O2c1ccccc1N(C)C(=O)c3cccnc23 
410,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=N] [Ring1] [=Branch1],-4.125,C1c2ccccc2c3ccccc13
411,[C] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1],-2.891,CC1CCCCC1
412,[N] [C] [=Branch1] [C] [=N] [N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [C] [N] [C] [=C] [Ring1] [#Branch1],-0.706,NC(=N)NS(=O)(=O)c1ccc(N)cc1 
413,[C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1],-2.441,COC(=O)c1ccc(O)cc1
414,[C] [C] [C] [C] [C] [O] [Ring1] [Branch1],-1.034,CC1CCCO1
415,[C] [C] [C] [C] [C] [C] [Branch1] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=Branch1] [N] [=C] [Ring1] [Branch2] [C] [Ring1] [N] [O] [C] [Ring1] [#C] [=O] [C],-2.43,CC3C2CCC1(C)C=CC(=O)C(=C1C2OC3=O)C
416,[O] [C] [C] [O] [C] [Branch1] [N] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring1] [P] [O],-0.975,OCC2OC(Oc1ccccc1CO)C(O)C(O)C2O
417,[C] [C] [N] [C] [=N] [C] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [C] [=N] [C] [Branch1] [Ring1] [S] [C] [=N] [Ring1] [N],-3.43,CCNc1nc(NC(C)C)nc(SC)n1
418,[C] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [O] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [C] [C] [C] [Ring1] [S] [Ring2] [Ring1] [Ring2] [C],-3.876,CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
419,[C] [C] [C] [C] [Branch1] [C] [C] [O],-0.97,CCCC(C)O
420,[O] [C] [Branch1] [=N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.148,OC(C(=O)c1ccccc1)c2ccccc2
421,[C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [Branch1] [C] [C] [=C] [Ring1] [Branch2],-2.6210000000000004,Cc1ccc(O)c(C)c1
422,[C] [C] [=C] [Branch1] [C] [N] [C] [=Branch1] [C] [=O] [N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Ring1] [=N] [C],-1.192,Cc2c(N)c(=O)n(c1ccccc1)n2C
423,[Cl] [C] [=C] [C] [=C] [Branch1] [Branch2] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [Cl],-6.23,Clc1ccc(c(Cl)c1)c2cc(Cl)ccc2Cl 
424,[C] [C] [N] [C] [=N] [C] [Branch1] [#Branch2] [N] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [=N] [C] [Branch1] [Ring1] [S] [C] [=N] [Ring1] [=N],-3.75,CCNc1nc(NC(C)(C)C)nc(SC)n1
425,[C] [C] [=N] [C] [=C] [N] [=C] [C] [=N] [C] [Ring1] [=Branch1] [=N] [Ring1] [#Branch2],-1.24,Cc2ncc1nccnc1n2
426,[C] [C] [C] [C] [C] [=N] [O] [C] [=Ring1] [Branch1] [C] [=C] [Ring1] [=Branch2] [C] [C] [C] [C] [Ring1] [=N] [C] [C] [C] [Branch1] [C] [C] [C] [Ring1] [#Branch1] [C] [C] [C] [Ring1] [=Branch1] [Branch1] [C] [O] [C] [#C],-4.557,CC23Cc1cnoc1C=C2CCC4C3CCC5(C)C4CCC5(O)C#C
427,[C] [C] [C] [C] [I],-2.841,CCCCI
428,[Br] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2],-4.434,Brc1ccc2ccccc2c1
429,[C] [C] [O] [C] [Branch1] [#Branch2] [C] [C] [Branch1] [C] [O] [C] [Ring1] [#Branch1] [O] [O] [C] [C] [Branch1] [C] [O] [C] [C] [Branch1] [=Branch1] [O] [C] [Ring1] [#Branch1] [C] [O] [C] [C] [Branch1] [C] [O] [C] [C] [Branch2] [Branch1] [Branch1] [O] [C] [C] [C] [C] [Branch1] [C] [C] [C] [Branch2] [Ring2] [Branch1] [C] [C] [C] [C] [Ring1] [#Branch1] [C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [C] [C] [Branch1] [=Branch2] [C] [C] [C] [Ring1] [O] [Ring1] [=Branch1] [O] [C] [=C] [C] [=Branch1] [C] [=O] [O] [C] [Ring1] [=Branch1] [C] [Ring2] [Ring1] [O] [O] [C] [Ring2] [Ring2] [Ring1] [C],-5.312,CC1OC(CC(O)C1O)OC2C(O)CC(OC2C)OC8C(O)CC(OC7CCC3(C)C(CCC4C3CC(O)C5(C)C(CCC45O)C6=CC(=O)OC6)C7)OC8C 
430,[F] [C] [Branch1] [C] [F] [Branch1] [C] [F] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.099,FC(F)(F)c1ccccc1
431,[C] [C] [C] [C] [C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [O] [C] [C] [C] [C] [C] [C],-5.757999999999999,CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC
432,[C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [S] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-4.597,c1ccc2c(c1)sc3ccccc23
433,[Cl] [C] [=C] [C] [=C] [Branch1] [Branch2] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [Cl],-6.709,Clc1ccc(c(Cl)c1)c2ccc(Cl)c(Cl)c2Cl 
434,[C] [C] [=Branch1] [C] [=O] [C] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [C] [Ring1] [O] [=O],-3.913,CC(=O)CC(c1ccccc1)c3c(O)c2ccccc2oc3=O 
435,[C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.645,c1ccccc1C(O)C(O)c2ccccc2
436,[C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [O] [C],-2.347,COC(=O)c1ccccc1C(=O)OC
437,[C] [C] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [C],-2.962,CCCCCCCC(=O)OCC
438,[C] [C] [S] [S] [C] [C],-2.364,CCSSCC
439,[C] [C] [O] [C] [C] [O] [C] [C],-0.833,CCOCCOCC
440,[Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [Branch2] [Cl],-4.621,Clc1cc(Cl)c(Cl)cc1Cl
441,[N] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Branch1] [C] [N] [C] [=C] [Ring1] [#Branch1],-2.613,Nc1ccc(cc1)c2ccc(N)cc2
442,[C] [C] [C] [C] [C] [C] [=C],-2.718,CCCCCC=C
443,[C] [C] [C] [C] [C] [=C] [Branch1] [C] [C] [N] [=C] [Branch1] [Ring2] [N] [C] [C] [NH1] [C] [Ring1] [#Branch2] [=O],-2.732,CCCCc1c(C)nc(NCC)[nH]c1=O
444,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [Ring1] [C] [C] [C] [Branch1] [C] [C] [C] [C] [C],-2.312,O=C1NC(=O)NC(=O)C1(CC)C(C)CCC
445,[N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Cl],-2.392,Nc1ccccc1Cl
446,[C] [O] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1],-3.057,COc1cccc(Cl)c1
447,[C] [C] [C] [C] [N] [Branch1] [Ring1] [C] [C] [C] [=Branch1] [C] [=O] [S] [C] [C] [C],-3.131,CCCCN(CC)C(=O)SCCC
448,[C] [C] [C] [C] [O] [C] [=O],-1.111,CCCCOC=O
449,[C] [C] [C] [C] [Branch1] [C] [O] [C] [C] [Branch1] [P] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Ring1] [O] [Ring1] [#Branch1] [C] [C] [Ring1] [P] [C] [C] [C] [Ring2] [Ring1] [Ring2] [Branch1] [C] [O] [C] [=Branch1] [C] [=O] [C] [O],-2.974,CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C2CCC1(O)C(=O)CO
450,[C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-5.7410000000000005,c1ccc(cc1)c2ccc(cc2)c3ccccc3
451,[O] [C] [=C] [C] [=C] [Branch1] [Ring1] [C] [=O] [C] [=C] [Ring1] [Branch2],-2.003,Oc1ccc(C=O)cc1
452,[C] [Br],-1.109,CBr
453,[C] [C] [=Branch1] [C] [=O] [C] [C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [=C] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [C] [Ring1] [O] [=O],-4.553999999999999,CC(=O)CC(c1ccc(Cl)cc1)c2c(O)c3ccccc3oc2=O
454,[N] [C] [C] [Branch1] [C] [C] [=C] [NH1] [C] [=Branch1] [C] [=O] [N] [=Ring1] [Branch2],-0.257,Nc1c(C)c[nH]c(=O)n1 
455,[C] [=C] [Branch1] [#C] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [I] [C] [=C] [C] [=C] [Ring1] [S],-4.245,c1c(NC(=O)c2ccccc2(I))cccc1
456,[C] [C] [=C] [C] [N] [=C] [C] [=Branch1] [C] [=O] [NH1] [C] [=Branch1] [C] [=O] [N] [=C] [Ring1] [Branch2] [N] [Branch1] [S] [C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [O] [C] [=Ring2] [Ring1] [Branch1] [C] [=C] [Ring2] [Ring1] [=Branch2] [C],-1.865,Cc3cc2nc1c(=O)[nH]c(=O)nc1n(CC(O)C(O)C(O)CO)c2cc3C
457,[F] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Br],-3.467,Fc1ccccc1Br
458,[C] [C] [Branch1] [C] [C] [C] [Branch1] [#Branch1] [C] [=C] [Branch1] [C] [Cl] [Cl] [C] [Ring1] [Branch2] [C] [=Branch1] [C] [=O] [O] [C] [C] [=C] [C] [=C] [C] [Branch1] [#Branch2] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [Ring1] [=N],-7.129,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2
459,[O] [=C] [N] [Branch1] [=Branch2] [C] [O] [C] [=Branch1] [C] [=O] [C] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [Ring2] [N] [Ring1] [N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.128,O=C1N(COC(=O)CC)C(=O)C(N1)(c2ccccc2)c3ccccc3
460,[C] [C] [C] [C] [C] [Ring1] [Branch1],-2.0380000000000003,C1CCCC1
461,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N],-1.922,Cc1ccccc1N
462,[C] [Branch1] [Ring1] [O] [C] [=C] [C] [=C] [Branch1] [Ring2] [C] [C] [=C] [C] [=C] [Ring1] [O],-3.074,c1(OC)ccc(CC=C)cc1
463,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [Branch1] [#C] [O] [C] [=Branch1] [C] [=O] [N] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [=C] [Ring1] [=C],-2.655,CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1 
464,[C] [C] [Branch1] [C] [C] [C] [=C],-1.994,CC(C)C=C
465,[O] [C] [=C] [C] [=C] [C] [=N] [Ring1] [=Branch1],-1.655,Oc1ccccn1
466,[C] [C],-1.132,CC
467,[Cl] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Cl],-3.482,Clc1ccccc1Cl
468,[S] [C] [=N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [S] [Ring1] [=Branch2],-3.411,Sc2nc1ccccc1s2 
469,[Cl] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Branch1] [=Branch2] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [Cl] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch2] [Cl],-9.589,Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl 
470,[C] [O] [C] [=C] [O] [C] [=C] [C] [Ring1] [Branch1] [=C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [O] [C] [Ring1] [=C] [=Ring1] [#Branch1],-3.25,COc2c1occc1cc3ccc(=O)oc23 
471,[C] [C] [=Branch1] [C] [=O] [N],0.494,CC(=O)N
472,[C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-3.802,Cc1cccc2ccccc12
473,[C] [C] [N] [Branch1] [Ring1] [C] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [C] [O] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-4.088,CCN(CC)C(=O)C(C)Oc1cccc2ccccc12 
474,[C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C],-1.2919999999999998,CC(O)C(C)(C)C
475,[C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [C],-1.545,CCCC(=O)OCC
476,[C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Ring1] [O] [=O],-2.667,CC2=CC(=O)c1ccccc1C2=O 
477,[C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [O],-4.518,c1ccc2c(c1)ccc3ccccc32
478,[C] [C] [=C] [C] [=N] [C] [Branch1] [C] [C] [=C] [Ring1] [#Branch1],-2.0980000000000003,Cc1ccnc(C)c1
479,[C] [C] [C] [C] [C] [C] [C] [C] [C] [O],-2.46,CCCCCCCCCO
480,[Br] [C] [Br],-1.883,BrCBr
481,[C] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [Branch1] [C] [F] [C] [Branch1] [C] [O] [C] [C] [Ring2] [Ring1] [C] [Branch1] [C] [C] [C] [Ring2] [Ring1] [=Branch1] [Branch1] [C] [O] [C] [=Branch1] [C] [=O] [C] [O],-3.4,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO
482,[C] [C] [=C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [Ring1] [#Branch1] [=C] [Ring1] [O],-4.147,Cc1ccc2cc(C)ccc2c1
483,[C] [C] [S] [C] [=Branch1] [C] [=O] [N] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [C] [C] [Branch1] [C] [C] [C],-3.4530000000000003,CCSC(=O)N(CC(C)C)CC(C)C
484,[C] [C] [C] [C] [Cl],-1.94,CCCCCl
485,[Cl] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [C] [Branch1] [Ring2] [N] [C] [=O] [N] [C] [=C] [N] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [Ring2] [N] [C] [=O] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [Cl],-3.715,ClC(Cl)(Cl)C(NC=O)N1C=CN(C=C1)C(NC=O)C(Cl)(Cl)Cl 
486,[N] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [C] [=C] [Ring1] [#Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring2] [Ring1] [C] [Ring1] [=Branch1],-4.849,Nc3cc2c1ccccc1ccc2c4ccccc34 
487,[C] [C] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=S] [C] [=C] [C] [=C] [N] [=C] [Ring1] [P] [Ring1] [=Branch1],-4.227,CCN2c1ccccc1N(C)C(=S)c3cccnc23 
488,[C] [C] [N] [C] [=Branch1] [C] [=S] [N] [C] [C],-1.028,CCNC(=S)NCC
489,[O] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [Cl],-3.78,Oc1cc(Cl)cc(Cl)c1Cl
490,[C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C],-1.545,CCCCC(=O)OC
491,[N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-1.632,Nc1ccccc1
492,[C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [O] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-3.682,C1=Cc2cccc3cccc1c23
493,[C] [C] [N] [C] [=N] [C] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [C] [=N] [C] [Branch1] [Ring1] [O] [C] [=N] [Ring1] [N],-3.185,CCNc1nc(NC(C)C)nc(OC)n1
494,[C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#C] [C] [Ring1] [N] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-6.007000000000001,c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
495,[C] [C] [Br],-1.529,CCBr
496,[C] [C] [C] [#C] [C] [C],-1.933,CCC#CCC
497,[C] [C] [O] [C] [Branch1] [#Branch2] [C] [C] [Branch1] [C] [O] [C] [Ring1] [#Branch1] [O] [O] [C] [C] [Branch1] [C] [O] [C] [C] [Branch1] [=Branch1] [O] [C] [Ring1] [#Branch1] [C] [O] [C] [C] [Branch1] [C] [O] [C] [C] [Branch2] [Branch1] [C] [O] [C] [C] [C] [C] [Branch1] [C] [C] [C] [Branch2] [Ring2] [C] [C] [C] [C] [C] [Ring1] [#Branch1] [C] [C] [C] [Branch1] [C] [C] [C] [Branch1] [=Branch2] [C] [C] [C] [Ring1] [#Branch2] [Ring1] [=Branch1] [O] [C] [=C] [C] [=Branch1] [C] [=O] [O] [C] [Ring1] [=Branch1] [C] [Ring2] [Ring1] [#Branch2] [O] [C] [Ring2] [Ring2] [C] [C],-6.114,CC1OC(CC(O)C1O)OC2C(O)CC(OC2C)OC8C(O)CC(OC7CCC3(C)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C7)OC8C 
498,[C] [C] [C] [=Branch1] [C] [=C] [C],-1.994,CCC(=C)C
499,[O] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [S] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1],-4.59,Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4 
500,[Br] [C] [=C] [C] [Branch1] [C] [Br] [=C] [C] [Branch1] [C] [Br] [=C] [Ring1] [Branch2],-5.27,Brc1cc(Br)cc(Br)c1
501,[C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring1] [O] [C] [O] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [Branch2] [Cl],-5.247000000000001,COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl
502,[C] [C] [=C] [C] [=Branch1] [C] [=O] [NH1] [C] [=Branch1] [C] [=S] [NH1] [Ring1] [Branch2],-0.547,Cc1cc(=O)[nH]c(=S)[nH]1
503,[C] [O] [C] [=C] [C] [Branch1] [Ring2] [C] [C] [=C] [=C] [C] [=C] [Ring1] [=Branch2] [O],-2.675,COc1cc(CC=C)ccc1O
504,[C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=C] [C] [Ring1] [=N] [=C] [Ring1] [O] [Ring1] [#Branch1],-4.957,c1cc2ccc3cccc4ccc(c1)c2c34
505,[C] [C] [Branch1] [C] [C] [C] [O] [N] [Branch1] [O] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Cl] [C] [Ring1] [=C] [=O],-3.077,CC1(C)CON(Cc2ccccc2Cl)C1=O
506,[C] [C] [C] [C] [O] [C] [C] [O],-0.775,CCCCOCCO
507,[C] [C] [C] [C] [C] [Branch1] [C] [O] [C] [C] [Ring1] [#Branch1] [C] [C] [C] [C] [Ring1] [O] [C] [C] [C] [Branch1] [C] [C] [C] [Ring1] [#Branch1] [C] [C] [C] [Ring1] [=Branch1] [=O],-3.882,CC12CCC(O)CC1CCC3C2CCC4(C)C3CCC4=O
508,[F] [C] [Branch1] [C] [F] [Branch1] [C] [F] [C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [N] [C] [C] [Branch1] [Ring1] [C] [Cl] [C] [Branch1] [C] [Cl] [C] [Ring1] [Branch2] [=O],-4.749,FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O
509,[C] [=C] [C] [=C] [N] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2],-2.6630000000000003,c1ccc2ncccc2c1
510,[C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Branch1] [C] [O] [=C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [=C] [Ring1] [=Branch2],-1.913,COC(=O)c1cc(O)c(O)c(O)c1 
511,[O] [C] [Branch1] [=Branch2] [C] [N] [C] [=N] [C] [=N] [Ring1] [Branch1] [Branch1] [=Branch2] [C] [N] [C] [=N] [C] [=N] [Ring1] [Branch1] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch1] [F],-2.418,OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F 
512,[Cl] [C] [=C] [C] [=C] [O] [C] [=Branch1] [C] [=O] [NH1] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2],-2.679,Clc2ccc1oc(=O)[nH]c1c2
513,[Cl] [C] [=C] [C] [=C] [Branch1] [Branch2] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch2] [Cl],-7.898,Clc1ccc(c(Cl)c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl
514,[O] [=C] [N] [C] [=Branch1] [C] [=O] [C] [=Branch1] [C] [=O] [C] [=Branch1] [C] [=O] [N] [Ring1] [=Branch2],0.436,O=C1NC(=O)C(=O)C(=O)N1 
515,[Cl] [C] [C] [C] [Cl],-1.618,ClCCCCl
516,[F] [C] [=C] [C] [=C] [C] [Branch1] [C] [Br] [=C] [Ring1] [#Branch1],-3.467,Fc1cccc(Br)c1
517,[Cl] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [#Branch1],-3.928,Clc1ccc(Br)cc1
518,[C] [C] [Branch1] [C] [C] [C] [Branch1] [C] [C] [C],-2.584,CC(C)C(C)C
519,[C] [C] [C] [=C],-1.655,CCC=C
520,[N] [C] [C] [=C] [NH1] [C] [=Branch1] [C] [=O] [N] [=Ring1] [#Branch1],0.051,Nc1cc[nH]c(=O)n1 
521,[F] [C] [Branch1] [C] [F] [Branch1] [C] [Cl] [C] [Branch1] [C] [F] [Branch1] [C] [Cl] [Cl],-3.077,FC(F)(Cl)C(F)(Cl)Cl
522,[Cl] [C] [Branch1] [C] [Cl] [C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Cl],-6.007999999999999,ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl 
523,[C] [C] [C] [C] [C] [C] [Branch1] [P] [C] [C] [=C] [C] [C] [Branch1] [C] [O] [C] [C] [C] [Ring1] [O] [Ring1] [#Branch1] [C] [C] [Ring1] [S] [C] [C] [C] [Ring2] [Ring1] [Ring1] [=O],-3.564,CC34CCC1C(CC=C2CC(O)CCC12C)C3CCC4=O
524,[C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=Branch1] [Branch1] [=C] [Ring2] [Ring1] [C] [C] [Ring1] [P] [=C] [Ring1] [#C] [C] [Ring1] [=N] [=C] [Ring1] [O] [Ring1] [#Branch1],-6.446000000000001,c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56
525,[C] [C] [Branch1] [Ring1] [O] [C] [=C] [Branch1] [Ring1] [O] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [C] [Ring1] [=Branch1] [C] [=Ring1] [=C],-0.825,c1c(OC)c(OC)C2C(=O)OCC2c1
526,[O] [C] [C] [Branch1] [C] [O] [C] [O],0.688,OCC(O)CO
527,[C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O],-1.941,COc1ccccc1O 
528,[C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [O] [C] [=N] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [Branch2] [Cl],-4.972,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl 
529,[C] [C] [=C] [C] [=Branch1] [C] [=O] [N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Ring1] [N] [C],-1.733,Cc1cc(=O)n(c2ccccc2)n1C
530,[C] [C] [N] [C] [=N] [C] [Branch1] [C] [Cl] [=N] [C] [Branch1] [Ring2] [N] [C] [C] [=N] [Ring1] [#Branch2],-2.8110000000000004,CCNc1nc(Cl)nc(NCC)n1 
531,[C] [S] [C] [=N] [C] [=Branch1] [=N] [=N] [C] [=Branch1] [Ring2] [=N] [Ring1] [=Branch1] [N] [Branch1] [C] [C] [C] [N] [Branch1] [C] [C] [C],-2.689,CSc1nc(nc(n1)N(C)C)N(C)C
532,[C] [=C],-0.815,C=C
533,[C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [C] [O],-1.365,CC(C)(C)CCO
534,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [Ring1] [C] [C] [C] [C] [=C],-1.368,O=C1NC(=O)NC(=O)C1(CC)CC=C
535,[O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [Cl],-3.705,Oc1ccc(Cl)c(Cl)c1Cl
536,[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [=Branch1] [O] [C] [=C] [C] [=C] [Branch1] [O] [N] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C] [C] [=C] [Ring1] [N] [C] [=C] [Ring2] [Ring1] [Ring1],-3.928,COc2ccc(Oc1ccc(NC(=O)N(C)C)cc1)cc2
537,[C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [Ring1] [#Branch1],-3.3280000000000003,CCc1ccc(C)cc1
538,[C] [C] [Branch1] [C] [C] [S] [C] [Branch1] [C] [C] [C],-2.162,CC(C)SC(C)C
539,[C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [S] [C] [S] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [O] [C] [C],-5.471,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
540,[C] [C] [=Branch1] [C] [=O] [O] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [O] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [C] [=Branch1] [C] [=O] [C] [C] [Ring2] [Ring1] [Branch1] [Ring1] [P] [C],-3.426,CC(=O)OCC(=O)C3(O)CCC4C2CCC1=CC(=O)CCC1(C)C2C(=O)CC34C 
541,[N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1],-2.392,Nc1ccc(Cl)cc1
542,[C] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [O],-1.719,CCCC(C)(C)CO
543,[C] [O] [C] [C] [C] [N] [C] [=N] [C] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [C] [=N] [C] [Branch1] [Ring1] [S] [C] [=N] [Ring1] [N],-3.259,COCCCNc1nc(NC(C)C)nc(SC)n1
544,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [C] [Ring1] [Branch1] [C] [C] [C] [C] [C] [Ring1] [Branch2] [Ring1] [Branch1],-2.47,CN(C)C(=O)NC1CC2CC1C3CCCC23
545,[C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.554,CC(C)(C)c1ccccc1
546,[C] [C] [=Branch1] [C] [=O] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [Branch1] [S] [N] [Branch1] [Branch1] [C] [Ring1] [=Branch1] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.645,CC(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
547,[C] [C] [=Branch1] [C] [=O] [O] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [O] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [C] [Branch1] [C] [O] [C] [C] [Ring2] [Ring1] [Branch1] [Ring1] [P] [C],-3.507,CC(=O)OCC(=O)C3(O)CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C 
548,[C] [C] [C] [O] [C],-0.718,CCCOC
549,[C] [C] [Branch1] [C] [C] [O] [C] [=Branch1] [C] [=O] [C],-1.1909999999999998,CC(C)OC(=O)C
550,[Br] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.345,Brc1ccccc1
551,[C] [C] [C] [=Branch1] [C] [=O] [O] [C] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [C] [C] [C] [Ring2] [Ring1] [Ring1] [Ring1] [S] [C],-4.87,CCC(=O)OC3CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C 
552,[O] [=C] [NH1] [C] [=N] [C] [NH1] [N] [=C] [C] [Ring1] [=Branch2] [=Ring1] [Branch1],-0.84,O=c1[nH]cnc2[nH]ncc12 
553,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.147,CN(C)C(=O)C(c1ccccc1)c2ccccc2 
554,[O] [=C] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-1.882,O=C1NC(=O)c2ccccc12 
555,[O] [C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [Branch1] [=Branch2] [C] [=C] [N] [=C] [N] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Cl],-4.1080000000000005,OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl
556,[C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.462,COC(=O)c1ccccc1
557,[C] [N] [C] [=C] [C] [=Branch1] [C] [=O] [NH1] [C] [Ring1] [#Branch1] [=O],-0.375,Cn1ccc(=O)[nH]c1=O
558,[C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [Branch2] [Ring1] [Ring1] [N] [Branch1] [Branch1] [C] [Ring1] [=Branch1] [=O] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.739,CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3 
559,[Cl] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=Branch1] [Ring2] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [Cl],-6.155,Clc1ccc(Cl)c(c1)c2cccc(Cl)c2Cl 
560,[C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=Branch1] [N] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [N] [Ring1] [N] [S] [Branch1] [C] [N] [=Branch1] [C] [=O] [=O],-2.184,CCC2NC(=O)c1cc(c(Cl)cc1N2)S(N)(=O)=O
561,[C] [C] [C] [=C] [C] [Ring1] [Branch1],-1.72,C1CC=CC1
562,[C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [=Branch2] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [=Branch2] [=O],0.919,C1(=O)NC(=O)NC(=O)C1(O)C2(O)C(=O)NC(=O)NC2(=O)
563,[C] [C] [C] [C] [C] [C] [C] [C] [C],-3.678,CCCCCCCCC
564,[C] [=C] [C] [=C] [C] [=C] [C] [Branch1] [C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Ring1] [O] [=C] [C] [=C] [Ring2] [Ring1] [Ring1] [Ring1] [#C],-5.931,c1cccc2c3c(C)cc4ccccc4c3ccc12
565,[C] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.66,CCOc1ccccc1
566,[C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.0980000000000003,CCOC(=O)C=Cc1ccccc1
567,[C] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N],-1.815,Cc1ccc(cc1)S(=O)(=O)N
568,[C] [C] [Branch2] [Ring1] [C] [O] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [C] [#C],-3.629,CC(OC(=O)Nc1cccc(Cl)c1)C#C
569,[C] [N] [C] [=Branch1] [C] [=O] [C] [N] [=C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring2] [Ring1] [Ring1] [Ring1] [#Branch1],-4.05,CN2C(=O)CN=C(c1ccccc1)c3cc(Cl)ccc23
570,[C] [C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [C] [C],-1.308,CCC(O)C(C)C
571,[C] [C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [O] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [S] [Branch1] [C] [C] [=O],-3.283,CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O 
572,[C] [C] [C] [C] [C] [C] [Branch1] [P] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [O] [Ring1] [#Branch1] [C] [C] [Ring1] [S] [C] [C] [C] [Ring2] [Ring1] [Ring1] [O],-3.659,CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1O
573,[C] [C] [C] [C] [C] [C] [C],-2.97,CCCCCCC
574,[O] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-3.08,Oc1cccc2ccccc12
575,[C] [/C] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [\C],-3.305,C/C1CCCCC1\C
576,[C] [C] [C] [=C] [C] [Ring1] [Branch1] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [C] [=C] [Ring1] [#Branch2] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [#Branch2],-5.942,C1Cc2c3c1cccc3cc4c2ccc5ccccc54
577,[C] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [C] [C] [C] [C] [C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [=N] [C] [C] [C] [Ring2] [Ring1] [Branch1] [Ring1] [P] [C],-4.593,CC(=O)C3(C)CCC4C2C=C(C)C1=CC(=O)CCC1(C)C2CCC34C
578,[C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [C],-1.554,CCCCCC(=O)C
579,[C] [O] [P] [=Branch1] [C] [=O] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [=O] [S] [C],-0.416,COP(=O)(NC(C)=O)SC 
580,[C] [C] [C] [C] [S] [P] [=Branch1] [C] [=O] [Branch1] [=Branch1] [S] [C] [C] [C] [C] [S] [C] [C] [C] [C],-4.074,CCCCSP(=O)(SCCCC)SCCCC
581,[N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring1] [C] [N] [C] [Branch1] [=Branch2] [N] [S] [Ring1] [=Branch1] [=Branch1] [C] [=O] [=O] [C] [Branch1] [C] [Cl] [Cl] [C] [=C] [Ring1] [#C] [Cl],-2.98,NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)C(Cl)Cl)cc2Cl 
582,[C] [C] [=C] [Branch1] [C] [C] [C],-1.994,CC=C(C)C
583,[C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [C] [C] [=C] [Ring1] [Branch2],-3.343,Cc1ccc(C)c(C)c1
584,[O] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [Branch2] [Cl],-3.78,Oc1cc(Cl)c(Cl)cc1Cl
585,[C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [O] [Ring1] [=Branch1],-3.713,c1ccc2c(c1)cnc3ccccc23 
586,[C] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [O] [C] [C],-1.663,CCCC(C)(O)CC
587,[C] [C] [C] [C] [C] [C] [C] [C],-3.324,CCCCCCCC
588,[C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [C] [Ring1] [#Branch2] [=C] [Ring1] [=C],-4.518,c1ccc2cc3ccccc3cc2c1
589,[N] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-1.866,NNc1ccccc1
590,[C] [C] [C] [C] [C] [C] [C] [C] [Ring1] [Branch2],-3.355,C1CCCCCCC1
591,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [Ring2] [C] [C] [=C] [C] [C] [=C],-1.471,O=C1NC(=O)NC(=O)C1(CC=C)CC=C
592,[Cl] [C] [Branch1] [C] [Cl] [Cl],-1.812,ClC(Cl)Cl
593,[C] [C] [=C] [C] [C] [C] [C] [Ring1] [=Branch1],-2.574,CC1=CCCCC1
594,[C] [O] [C] [=C] [O] [C] [=C] [C] [Ring1] [Branch1] [=C] [Branch1] [Ring1] [O] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [Branch1] [C] [C] [O] [C] [Ring1] [P] [=Ring1] [Branch2],-3.603,COc2c1occc1c(OC)c3c(=O)cc(C)oc23 
595,[C] [=C] [C] [=C] [C] [=C] [Branch1] [=Branch2] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [#C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-6.007000000000001,c1ccc2c3c(ccc2c1)c4cccc5cccc3c45
596,[C] [C] [C] [Branch1] [Ring1] [C] [C] [C] [=O],-1.523,CCC(CC)C=O
597,[C] [C] [C] [O] [C] [C] [C],-1.426,CCCOCCC
598,[C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [O],-4.231,CCCCCCCCCCCCCCO
599,[O] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2] [Cl],-3.572,Oc1c(Cl)ccc(Cl)c1Cl
600,[N] [C] [=Branch1] [C] [=O] [N],0.8320000000000001,NC(=O)N
601,[C] [C] [C] [C] [#C],-1.446,CCCC#C
602,[Br] [C] [=C] [C] [=C] [C] [Branch1] [C] [Br] [=C] [Ring1] [#Branch1],-4.298,Brc1cccc(Br)c1
603,[C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [O],-5.649,CCCCCCCCCCCCCCCCCCO
604,[C] [=C] [C] [Branch1] [C] [O] [=C] [Branch1] [C] [O] [C] [O] [C] [C] [Branch1] [C] [O] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [O] [=C] [C] [Ring1] [Branch2] [=C] [Ring1] [N] [C] [=Ring1] [S] [Ring2] [Ring1] [=Branch1],-1.795,c1cc(O)c(O)c2OCC3(O)CC4=CC(=O)C(O)=CC4=C3c21
605,[O] [C] [C] [=C] [C] [C] [Ring1] [Branch1] [C] [Branch1] [C] [Cl] [C] [=Branch2] [Ring1] [C] [=C] [Branch1] [C] [Cl] [C] [Ring1] [Branch2] [Branch1] [C] [Cl] [C] [Ring1] [Branch2] [Branch1] [C] [Cl] [Cl] [Cl],-4.156000000000001,OC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl 
606,[C] [C] [Branch1] [C] [C] [C] [C] [O] [C] [=O],-1.449,CC(C)CCOC=O
607,[C] [=C] [C] [=C] [N] [=C] [Branch1] [=Branch2] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=N] [Ring1] [#Branch2],-4.9030000000000005,c2ccc1nc(ccc1c2)c4ccc3ccccc3n4 
608,[C] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [Ring2] [O] [C] [C] [O] [C] [C],-0.953,CCOP(=O)(OCC)OCC
609,[Cl] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [C] [C] [=C] [C] [C] [Ring1] [Branch1] [C] [Ring1] [O] [Branch1] [C] [Cl] [C] [Ring1] [#Branch2] [Branch1] [C] [Cl] [Cl],-5.152,ClC2=C(Cl)C3(Cl)C1C=CCC1C2(Cl)C3(Cl)Cl 
610,[C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [NH1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [#Branch2],-3.836,c1ccc2c(c1)[nH]c3ccccc32
611,[O] [C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [O],0.675,OCC(O)C(O)CO
612,[C] [C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [C] [N] [C] [=C] [Ring1] [#Branch1],-2.709,CCCOC(=O)c1ccc(N)cc1
613,[O] [=C] [C] [C] [C] [=Branch1] [C] [=O] [N] [Ring1] [=Branch1],0.282,O=C1CCC(=O)N1
614,[C] [C] [C] [C] [C] [=C] [Branch1] [C] [C] [N] [=C] [Branch1] [Ring2] [N] [C] [C] [N] [=C] [Ring1] [#Branch2] [O] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C],-3.4930000000000003,CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C 
615,[C] [C] [N] [C] [=N] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=S] [C] [=C] [C] [=C] [N] [=C] [Ring1] [P] [Ring1] [=Branch1],-3.411,CCN2c1ncccc1N(C)C(=S)c3cccnc23 
616,[C] [C] [C] [O] [C] [C] [Ring1] [=Branch1],-0.978,C1CCOCC1
617,[C] [C] [C] [C] [C] [C] [#C],-2.155,CCCCCC#C
618,[C] [=C] [C] [Branch1] [C] [C] [=C] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [C] [=C] [C] [C] [C] [C] [Branch1] [=Branch1] [C] [Ring1] [=Branch2] [=Ring1] [Branch1] [=C] [Ring1] [N] [C] [=C] [Ring1] [S],-6.311,c1cc(C)cc2c1c3cc4cccc5CCc(c45)c3cc2
619,[C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.775,CCOC(=O)c1ccccc1
620,[Cl] [C] [C] [Branch1] [C] [C] [C],-1.924,ClCC(C)C
621,[C] [C] [C] [C] [C] [C] [Branch1] [S] [C] [C] [C] [=C] [C] [Branch1] [C] [O] [=C] [C] [=C] [Ring1] [O] [Ring1] [#Branch1] [C] [Ring1] [#C] [C] [C] [C] [Ring2] [Ring1] [C] [Branch1] [C] [O] [C] [#C],-4.317,CC34CCC1C(CCc2cc(O)ccc12)C3CCC4(O)C#C 
622,[C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C],-4.025,CCCCCCCCCCCC(=O)OC
623,[C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [C] [Ring1] [#Branch2] [=C] [C] [Ring1] [=C] [=C] [Ring2] [Ring1] [C],-5.568,c1ccc2cc3cc4ccccc4cc3cc2c1
624,[C] [C] [C] [C] [C] [Br],-2.658,CCCCCBr
625,[C] [C] [C] [C] [/C] [=C] [/C],-2.784,CCCC/C=C/C
626,[C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [Ring1] [Branch1],-3.869,CCCCCC1CCCC1
627,[Cl] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=Branch1] [Ring2] [=C] [Ring1] [#Branch1] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [Cl],-7.261,Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl 
628,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [Ring1] [C] [C] [C] [Branch1] [C] [C] [C],-1.6030000000000002,O=C1NC(=O)NC(=O)C1(CC)C(C)C
629,[C] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [Cl],-2.232,CC(Cl)(Cl)Cl
630,[O] [=C] [N] [C] [=Branch1] [C] [=O] [C] [Branch1] [Branch2] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [Ring1] [=N],-1.405,O=C2NC(=O)C1(CCCCC1)C(=O)N2
631,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [Ring1] [=Branch2],-2.3040000000000003,CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1 
632,[C] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [#Branch1],-3.667,Cc1ccc(Br)cc1
633,[C] [C] [Branch1] [C] [C] [N] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [N] [Branch1] [Branch1] [C] [Ring1] [=Branch1] [=O] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2],-4.004,CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2
634,[C] [C] [=C] [C] [Branch1] [C] [C] [=C] [Branch1] [C] [O] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2],-2.9410000000000003,Cc1cc(C)c(O)c(C)c1
635,[C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.418,c1ccccc1
636,[Cl] [C] [=C] [C] [=C] [Branch1] [C] [I] [C] [=C] [Ring1] [#Branch1],-4.384,Clc1ccc(I)cc1
637,[C] [O] [C] [=C] [C] [=C] [Branch1] [O] [N] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C] [C] [=C] [Ring1] [N] [Cl],-2.6830000000000003,COc1ccc(NC(=O)N(C)C)cc1Cl
638,[C] [C] [Branch1] [C] [C] [N] [Branch1] [#Branch1] [C] [=Branch1] [C] [=O] [C] [Cl] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.018,CC(C)N(C(=O)CCl)c1ccccc1 
639,[C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.85,C=Cc1ccccc1
640,[C] [O] [C] [O] [C],0.092,COCOC
641,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C],-3.004,Cc1ccccc1C
642,[C] [C] [C] [Branch1] [C] [C] [O],-0.616,CCC(C)O
643,[O] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1],-1.59,Oc1ccc(O)cc1
644,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring1] [P] [Ring1] [#Branch2],-5.189,C1c2ccccc2c3cc4ccccc4cc13
645,[O] [=C] [C] [N] [C] [=Branch1] [C] [=O] [N] [Ring1] [=Branch1],0.603,O=C1CNC(=O)N1 
646,[C] [Branch1] [C] [O] [=C] [C] [Branch1] [C] [O] [=C] [C] [=C] [Ring1] [Branch2] [C] [C] [C] [C] [C] [C],-3.4930000000000003,c1(O)cc(O)ccc1CCCCCC
647,[C] [=C] [C] [S] [=Branch1] [C] [=O] [S] [C] [C] [=C],-2.045,C=CCS(=O)SCC=C
648,[C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [C] [=C] [Ring1] [#Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring2] [Ring1] [Ring1] [Ring1] [=Branch1],-6.265,Cc1c(C)c2c3ccccc3ccc2c4ccccc14
649,[C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [Branch2] [Ring2] [O] [C] [Branch1] [C] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [Branch1] [C] [F] [C] [Branch1] [C] [O] [C] [C] [Ring2] [Ring1] [=Branch1] [Ring2] [Ring1] [C] [C] [C] [=Branch1] [C] [=O] [C] [O],-5.062,CCCCC(=O)OC3(C(C)CC4C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC34C)C(=O)CO
650,[O] [=C] [NH1] [C] [=Branch1] [C] [=O] [C] [NH1] [C] [=Branch1] [C] [=O] [NH1] [C] [=Ring1] [=Branch1] [NH1] [Ring1] [O],-0.541,O=c2[nH]c(=O)c1[nH]c(=O)[nH]c1[nH]2 
651,[O] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [Cl],-4.203,Oc1c(Cl)cc(Cl)c(Cl)c1Cl
652,[Cl] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [Cl],-6.638,Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
653,[C] [C] [Branch1] [C] [C] [C] [O] [C] [=O],-1.095,CC(C)COC=O
654,[C] [C] [N] [C] [=N] [C] [Branch1] [C] [C] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Ring1] [O] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring2] [Ring1] [Branch1] [Ring1] [=Branch1],-4.45,CCN2c1nc(C)cc(C(F)(F)F)c1NC(=O)c3cccnc23 
655,[C] [C] [C] [C] [C] [C],-2.615,CCCCCC
656,[C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring1] [=Branch1],-1.621,COC(=O)c1cccnc1 
657,[N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch2] [Ring1] [=Branch1] [N] [C] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [S] [Ring1] [=N] [=Branch1] [C] [=O] [=O] [C] [=C] [Ring2] [Ring1] [Ring1] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F],-3.741,NS(=O)(=O)c3cc2c(NC(Cc1ccccc1)NS2(=O)=O)cc3C(F)(F)F
658,[Cl] [C] [=C] [C] [=C] [Branch1] [=Branch1] [C] [=C] [Ring1] [=Branch1] [Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [Cl],-7.425,Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl 
659,[C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#C] [Ring1] [=Branch1],-5.568,c1ccc2c(c1)c3ccccc3c4ccccc24
660,[C] [C] [=C] [Branch1] [P] [C] [=Branch1] [Ring1] [=C] [C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1],-4.775,CC=C(C(=CC)c1ccc(O)cc1)c2ccc(O)cc2
661,[C] [C] [C] [C] [C] [Branch1] [Ring1] [C] [C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [O] [C] [C] [Branch1] [Ring1] [C] [C] [C] [C] [C] [C],-7.117000000000001,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC
662,[C] [C] [C] [=C] [C] [=C] [C] [=N] [Ring1] [=Branch1],-2.051,CCc1ccccn1
663,[C] [O] [P] [=Branch1] [C] [=O] [Branch1] [Ring1] [O] [C] [O] [C] [Branch1] [C] [Br] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [Br],-3.548,COP(=O)(OC)OC(Br)C(Cl)(Cl)Br
664,[C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.079,c1ccc(cc1)c2ccccc2
665,[C] [N] [Branch1] [C] [C] [C] [=N] [C] [=Branch1] [=N] [=N] [C] [=Branch1] [Ring2] [=N] [Ring1] [=Branch1] [N] [Branch1] [C] [C] [C] [N] [Branch1] [C] [C] [C],-2.492,CN(C)c1nc(nc(n1)N(C)C)N(C)C
666,[O] [=C] [N] [C] [=Branch1] [C] [=O] [C] [Branch1] [=Branch2] [C] [C] [C] [C] [C] [C] [Ring1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [Ring1] [=C],-1.844,O=C2NC(=O)C1(CCCCCC1)C(=O)N2 
667,[O] [C] [C] [O] [C] [Branch1] [C] [O] [Branch1] [Ring1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring1] [=Branch2] [O],0.471,OCC1OC(O)(CO)C(O)C1O
668,[C] [C] [=C] [C] [Branch1] [C] [C] [=C] [C] [Branch1] [C] [O] [=C] [Ring1] [Branch2],-2.652,Cc1cc(C)cc(O)c1
669,[Cl] [C] [C] [#C] [C] [O] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1],-4.16,ClCC#CCOC(=O)Nc1cccc(Cl)c1
670,[C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1],-2.642,CC(=O)Nc1ccc(Cl)cc1
671,[Cl] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=Branch1] [Ring2] [=C] [Ring1] [#Branch1] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch2] [Cl],-7.898,Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl
672,[C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C],-2.584,CCC(C)(C)C
673,[C] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.097,CNc1ccccc1
674,[C] [C] [=Branch1] [C] [=O] [O] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [O] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [C] [Branch1] [C] [O] [C] [C] [Ring1] [P] [Ring2] [Ring1] [Branch1] [C],-3.692,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
675,[O] [C] [N] [=C] [Branch1] [#Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [N] [C] [Ring2] [Ring1] [Ring1] [=O],-3.75,OC3N=C(c1ccccc1Cl)c2cc(Cl)ccc2NC3=O
676,[O] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1],-2.761,Oc1cccc(Cl)c1
677,[N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [O] [N] [=C] [N] [S] [Ring1] [=Branch1] [=Branch1] [C] [=O] [=O] [C] [=C] [Ring1] [N] [Cl],-1.7519999999999998,NS(=O)(=O)c2cc1c(N=CNS1(=O)=O)cc2Cl 
678,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [C] [C] [C] [C],-0.911,O=C1NC(=O)NC(=O)C1(C)CC
679,[C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.09,C(c1ccccc1)c2ccccc2
680,[C] [C] [Branch1] [C] [C] [N] [C] [=N] [C] [Branch1] [C] [Cl] [=N] [C] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [C] [=N] [Ring1] [O],-3.329,CC(C)Nc1nc(Cl)nc(NC(C)C)n1
681,[C] [C] [C] [C] [Branch1] [C] [C] [C] [O],-1.381,CCCC(C)CO
682,[C] [C] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [O],-1.663,CCCCC(C)(C)O
683,[C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.988,CCc1ccccc1
684,[Cl] [C] [C] [=C] [C] [C] [Ring1] [Branch1] [C] [Branch1] [C] [Cl] [C] [=Branch2] [Ring1] [C] [=C] [Branch1] [C] [Cl] [C] [Ring1] [Branch2] [Branch1] [C] [Cl] [C] [Ring1] [Branch2] [Branch1] [C] [Cl] [Cl] [Cl],-5.26,ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl
685,[C] [C] [Branch1] [C] [C] [C] [Branch2] [Ring1] [=C] [C] [=Branch1] [C] [=O] [O] [C] [Branch1] [Ring1] [C] [#N] [C] [=C] [C] [=C] [C] [Branch1] [#Branch2] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [=C] [Ring1] [=N] [C] [Ring2] [Ring1] [#Branch1] [Branch1] [C] [C] [C],-6.15,CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
686,[C] [O] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [C] [C] [C] [Branch1] [C] [C] [C] [C] [=C] [C] [Branch1] [C] [C] [=C] [C] [=Branch1] [C] [=O] [O] [C] [Branch1] [C] [C] [C],-4.795,COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C
687,[C] [S] [C] [=N] [C] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [C] [=N] [C] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [C] [=N] [Ring1] [=C],-3.693,CSc1nc(NC(C)C)nc(NC(C)C)n1
688,[C] [C] [Branch1] [Ring1] [C] [#C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1],-3.199,CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1
689,[C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Ring1] [#Branch2] [C],-4.1160000000000005,Cc1cc2ccccc2cc1C
690,[Cl] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [Cl],-5.7620000000000005,Clc1ccc(cc1)c2cc(Cl)ccc2Cl 
691,[Cl] [C] [=C] [C] [=C] [Branch1] [Branch2] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [Cl],-7.343,Clc1ccc(c(Cl)c1)c2cc(Cl)c(Cl)c(Cl)c2Cl 
692,[N] [C] [Branch1] [C] [N] [=N] [C] [#N],0.361,NC(N)=NC#N 
693,[Cl] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.984,Clc1cccc(Cl)c1c2ccccc2 
694,[C] [O] [C] [=C] [C] [=C] [Branch1] [Ring1] [C] [=O] [C] [=C] [Ring1] [Branch2],-2.252,COc1ccc(C=O)cc1
695,[C] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [C],-2.608,CCCCCCC(=O)OCC
696,[C] [=C] [C] [=C] [NH1] [N] [=C] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2],-2.34,c2ccc1[nH]ncc1c2 
697,[C] [C] [Branch1] [C] [C] [O] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [Branch1] [C] [F] [C] [Branch1] [C] [O] [C] [C] [Ring2] [Ring1] [C] [Branch1] [C] [C] [C] [Ring2] [Ring1] [=Branch1] [Branch1] [Branch1] [O] [Ring2] [Ring1] [#Branch2] [C] [=Branch1] [C] [=O] [C] [O],-3.928,CC5(C)OC4CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O5)C(=O)CO 
698,[N] [C] [=N] [C] [NH1] [C] [=N] [C] [=Ring1] [Branch1] [C] [=Branch1] [C] [=O] [NH1] [Ring1] [#Branch2],-0.67,Nc2nc1[nH]cnc1c(=O)[nH]2 
699,[C] [C] [C] [C] [C] [C] [Branch1] [P] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [O] [Ring1] [#Branch1] [C] [C] [Ring1] [S] [C] [C] [C] [Ring2] [Ring1] [Ring1] [O],-3.882,CC34CCC1C(CCC2CC(=O)CCC12C)C3CCC4O 
700,[C] [C] [C] [C] [Branch1] [C] [O] [C] [=C],-1.199,CCCC(O)C=C
701,[O] [C] [Branch2] [Ring2] [N] [C] [=C] [C] [C] [C] [Branch2] [Ring1] [#Branch2] [C] [Ring1] [=Branch1] [C] [Ring1] [Branch1] [=C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=N] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C] [Ring2] [Ring1] [Branch1] [=O] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=N] [Ring1] [=Branch1],-4.238,OC(C1=CC2C5C(C1C2=C(c3ccccc3)c4ccccn4)C(=O)NC5=O)(c6ccccc6)c7ccccn7 
702,[C] [C] [C] [C] [O] [C] [C] [C] [C],-2.135,CCCCOCCCC
703,[C] [C] [N] [C] [=N] [C] [Branch1] [Branch2] [N] [Branch1] [C] [C] [C] [C] [O] [=C] [C] [=C] [Ring1] [O] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring2] [Ring1] [Branch1] [Ring1] [=Branch1],-3.335,CCN2c1nc(N(C)(CCO))ccc1NC(=O)c3cccnc23 
704,[N] [C] [=N] [C] [=Branch1] [C] [=O] [NH1] [C] [=C] [Ring1] [#Branch1] [F],-0.132,Nc1nc(=O)[nH]cc1F
705,[C] [C] [C] [C] [O] [C] [=C] [C] [=C] [Branch1] [Branch2] [C] [=Branch1] [C] [=O] [O] [C] [C] [C] [=Branch1] [Ring2] [=C] [Ring1] [O] [N] [Branch1] [Ring1] [C] [C] [C] [C],-5.127999999999999,CCCCOc1ccc(C(=O)OCC)c(c1)N(CC)CC 
706,[C] [C] [C] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [O],-2.017,CCCCCC(C)(C)O
707,[C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [C] [C] [=C] [Ring1] [#Branch2] [C],-4.361000000000001,Cc1c(C)c(C)c(C)c(C)c1C
708,[C] [=C] [N] [=C] [N] [=C] [N] [=C] [C] [Ring1] [=Branch1] [=N] [Ring1] [#Branch2],-0.906,c2cnc1ncncc1n2
709,[C] [=C] [C] [=C] [N] [C] [C] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2],-2.195,c2ccc1NCCc1c2 
710,[C] [C] [C] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C],-1.266,CCC(C)C(=O)C
711,[O] [C] [Branch2] [Ring1] [#C] [C] [C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [C] [Ring1] [O] [=O] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [#Branch1],-7.877000000000001,OC(CC(c1ccccc1)c3c(O)c2ccccc2oc3=O)c4ccc(cc4)c5ccc(Br)cc5 
712,[C] [C] [Branch1] [C] [C] [N] [Branch1] [=Branch1] [C] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [S] [C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [Cl],-4.578,CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl
713,[C] [=C] [C] [=C] [NH1] [C] [=C] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2],-2.654,c2ccc1[nH]ccc1c2
714,[C] [C] [C] [C] [C] [C] [Branch1] [P] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [O] [Ring1] [#Branch1] [C] [C] [Ring1] [S] [C] [C] [C] [Ring2] [Ring1] [Ring1] [=O],-3.393,CC34CCC1C(CCC2=CC(=O)CCC12C)C3CCC4=O
715,[C] [C] [=C] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [#Branch1] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=Branch1] [#Branch2] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [O] [S] [Branch1] [C] [N] [=Branch1] [C] [=O] [=O],-3.642,Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)S(N)(=O)=O
716,[C] [C] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1],-3.245,CCC1CCCCC1
717,[C] [O] [C] [=Branch1] [C] [=O] [N] [C] [=N] [C] [=C] [C] [=C] [Branch1] [Branch2] [C] [=C] [Ring1] [=Branch1] [NH1] [Ring1] [=Branch2] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.118,COC(=O)Nc2nc1ccc(cc1[nH]2)C(=O)c3ccccc3
718,[C] [C] [N] [C] [=N] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring2] [Ring1] [C] [Ring1] [=Branch1],-3.446,CCN2c1nc(Cl)ccc1N(C)C(=O)c3cccnc23 
719,[C] [N] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#Branch2] [Ring1] [=Branch1],-3.087,CNC(=O)Oc1cccc2ccccc12
720,[C] [#C],-0.252,C#C
721,[C] [C] [=C] [N] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [#Branch1],-2.0980000000000003,Cc1cncc(C)c1
722,[C] [C] [=C] [C] [C] [=C] [Ring1] [=Branch1],-1.842,C1C=CCC=C1
723,[C] [C] [O] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [S] [P] [=Branch1] [C] [=S] [Branch1] [Ring2] [O] [C] [C] [O] [C] [C],-3.738,CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC
724,[C] [C] [Branch1] [C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-1.919,CC(O)c1ccccc1
725,[C] [C] [Branch1] [C] [Cl] [C] [Cl],-1.794,CC(Cl)CCl
726,[C] [C] [C] [C] [=C] [Branch1] [Ring1] [C] [C] [C] [=O],-2.081,CCCC=C(CC)C=O
727,[C] [C] [=Branch1] [C] [=O] [O] [C] [Branch1] [C] [C] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [C] [C] [C] [Ring2] [Ring1] [Ring2] [Ring1] [S] [C],-4.863,CC(=O)OC3(C)CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C 
728,[Cl] [C] [=C] [C] [=C] [Branch1] [Branch1] [C] [=C] [Ring1] [=Branch1] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [C] [=C] [Ring1] [#Branch1] [Cl],-5.604,Clc1ccc(cc1)c2c(Cl)cccc2Cl 
729,[O] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [Cl],-5.645,Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl
730,[C] [C] [C] [C] [Branch1] [C] [O] [C] [C] [Branch1] [P] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [O] [Ring1] [#Branch1] [C] [C] [Ring1] [P] [C] [C] [C] [Ring2] [Ring1] [Ring2] [C] [=Branch1] [C] [=O] [C] [O],-3.454,CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C2CCC1C(=O)CO
731,[C] [C] [=C] [C] [Branch1] [C] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [Branch2],-3.375,Cc1cc(C)cc(C)c1
732,[C] [C] [C] [C] [C] [C] [C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [O] [C] [C] [C] [C] [C] [C] [C] [C],-7.148,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC 
733,[C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [O],-4.586,CCCCCCCCCCCCCCCO
734,[Cl] [C] [=C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [C] [=C] [Ring1] [#Branch1] [Cl],-5.915,Clc1cccc(Cl)c1c2c(Cl)cccc2Cl 
735,[O] [=C] [N] [C] [=Branch1] [C] [=O] [N] [C] [=Branch1] [C] [=O] [C] [Ring1] [Branch2] [Branch1] [C] [C] [C],-0.556,O=C1NC(=O)NC(=O)C1(C)C
736,[C] [C] [Branch1] [C] [C] [I],-2.486,CC(C)I
737,[C] [C] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C],-0.912,CC(C)C(=O)C
738,[C] [C] [=C] [C] [=C] [C] [S] [C] [=N] [N] [=C] [N] [Ring1] [Branch1] [C] [Ring1] [N] [=Ring1] [Branch2],-2.8680000000000003,Cc2cccc3sc1nncn1c23 
739,[C] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [C],-1.909,CCCCCCC(=O)C
740,[C] [C] [C] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [C],-2.962,CCCCCCCCC(=O)OC
741,[O] [=C] [N] [Branch1] [=N] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [#Branch1] [=O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring2] [Ring1] [C] [Ring1] [=Branch1],-1.944,O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13
742,[O] [=C] [N] [C] [=Branch1] [C] [=O] [C] [Branch1] [#Branch1] [C] [C] [C] [C] [Ring1] [Branch1] [C] [=Branch1] [C] [=O] [N] [Ring1] [N],-0.966,O=C2NC(=O)C1(CCCC1)C(=O)N2
743,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [C] [C] [C] [C] [Ring1] [Branch2],-2.629,CN(C)C(=O)NC1CCCCCCC1
744,[Cl] [C] [Branch2] [Ring1] [=C] [C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [C] [Ring1] [#Branch2] [Branch1] [C] [Cl] [C] [Ring1] [=Branch2] [Branch1] [C] [Cl] [Cl] [C] [Ring1] [Branch2] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [C] [Ring2] [Ring1] [Ring1] [Ring1] [#C] [Cl],-6.155,ClC1(C2(Cl)C3(Cl)C4(Cl)C5(Cl)C1(Cl)C3(Cl)Cl)C5(Cl)C(Cl)(Cl)C24Cl
745,[C] [N] [Branch1] [C] [C] [C] [=C] [Branch1] [C] [C] [N] [Branch1] [C] [C] [N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Ring1] [=N] [=O],-2.129,CN(C)c2c(C)n(C)n(c1ccccc1)c2=O 
746,[C] [C] [C] [Branch1] [C] [O] [C] [C],-0.97,CCC(O)CC
747,[C] [C] [Branch1] [C] [C] [O] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [O] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [#Branch1],-5.832999999999999,CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2 
748,[N] [C] [C] [=N] [N] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [C] [=Ring1] [=N] [Cl],-2.603,Nc2cnn(c1ccccc1)c(=O)c2Cl
749,[C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [O],-0.954,CCC(C)(C)O
750,[C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1],-2.313,Cc1ccc(O)cc1
751,[C] [C] [O] [C] [=O],-0.402,CCOC=O
752,[C] [C] [C] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1] [C] [Ring1] [#Branch2],-3.715,C1CCC2CCCCC2C1
753,[C] [C] [C] [C] [S],-1.676,CCCCS
754,[C] [=C] [C] [=C] [C] [=Branch1] [Ring2] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#C] [C] [Ring1] [=Branch1] [=C] [Ring1] [#Branch2] [Ring1] [=C],-6.007000000000001,c1ccc2c(c1)c3cccc4ccc5cccc2c5c43
755,[Cl] [C] [=Branch1] [=Branch1] [=C] [Branch1] [C] [Cl] [Cl] [Cl],-3.063,ClC(=C(Cl)Cl)Cl
756,[C] [C] [C] [=Branch1] [C] [=O] [C] [C],-0.912,CCC(=O)CC
757,[C] [=C] [C] [#N],-0.354,C=CC#N
758,[C] [C] [C] [C] [C] [C] [C] [Branch1] [C] [F] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [=N] [Branch1] [C] [F] [C] [Branch1] [C] [O] [C] [C] [Ring2] [Ring1] [Ring1] [Branch1] [C] [C] [C] [Ring2] [Ring1] [#Branch1] [Branch1] [C] [O] [C] [=Branch1] [C] [=O] [C] [O],-3.539,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO
759,[C] [C] [N] [C] [=N] [C] [Branch1] [#Branch2] [N] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [=N] [C] [Branch1] [Ring1] [O] [C] [=N] [Ring1] [=N],-3.505,CCNc1nc(NC(C)(C)C)nc(OC)n1
760,[C] [C] [C] [C] [C] [Branch1] [C] [C] [C] [C],-3.3080000000000003,CCCCC(C)CC
761,[Br] [C] [C] [Br],-2.102,BrCCBr
762,[C] [N] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Branch1] [C] [C] [C],-2.734,CNC(=O)Oc1ccccc1C(C)C
763,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=C] [Ring1] [P] [Ring1] [#Branch2],-5.189,C1c2ccccc2c3ccc4ccccc4c13
764,[C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Cl],-2.912,COc1ccccc1Cl
765,[C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring1] [O] [C] [O] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Br] [C] [=C] [Ring1] [Branch2] [Cl],-5.604,COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl
766,[Cl] [C] [Branch1] [C] [Cl] [C] [Branch1] [N] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1],-6.007999999999999,ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 
767,[N] [=Branch1] [#Branch2] [=N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.034,N(=Nc1ccccc1)c2ccccc2
768,[C] [C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [Ring1] [#Branch1],-3.617,CC(C)c1ccc(C)cc1
769,[O] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [C] [=C] [Ring1] [#Branch1] [Cl],-3.012,Oc1c(Cl)cccc1Cl
770,[O] [C] [C] [O] [C] [Branch2] [Ring1] [Branch1] [O] [C] [Branch1] [Ring1] [C] [O] [O] [C] [Branch1] [Ring1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring1] [#Branch2] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring2] [Ring1] [Ring2] [O],0.31,OCC2OC(OC1(CO)OC(CO)C(O)C1O)C(O)C(O)C2O 
771,[O] [C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring1] [#Branch2] [O],-0.887,OC1C(O)C(O)C(O)C(O)C1O
772,[C] [N] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C] [N] [=C] [N] [Branch1] [Branch2] [C] [C] [Branch1] [C] [O] [C] [O] [C] [=Ring1] [#Branch2] [C] [Ring1] [S] [=O],-0.847,Cn2c(=O)n(C)c1ncn(CC(O)CO)c1c2=O
773,[C] [C] [C] [C] [C] [C] [Branch1] [P] [C] [C] [C] [C] [C] [S] [C] [Ring1] [Ring1] [C] [C] [Ring1] [O] [Ring1] [#Branch1] [C] [C] [Ring1] [S] [C] [C] [C] [Ring2] [Ring1] [Ring1] [O],-4.545,CC45CCC2C(CCC3CC1SC1CC23C)C4CCC5O
774,[Br] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Br],-4.172,Brc1ccccc1Br
775,[O] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [Branch2] [Cl],-3.648,Oc1c(Cl)cc(Cl)cc1Cl
776,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [Branch1] [Ring2] [C] [C] [F] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring2] [Ring1] [Ring1] [Ring1] [=Branch1],-3.663,C2c1ccccc1N(CCF)C(=O)c3ccccc23 
777,[C] [C] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [C] [C],-1.7519999999999998,CC(C)C(=O)C(C)C
778,[C] [=C] [Branch1] [C] [O] [C] [C] [=Branch1] [C] [=O] [C] [C] [=C] [Branch1] [C] [O] [C] [=C] [C] [Ring1] [#Branch1] [O] [C] [Ring1] [N] [C] [=C] [Ring1] [P] [O] [C],-1.2919999999999998,c1c(O)C2C(=O)C3cc(O)ccC3OC2cc1(OC)
779,[C] [N] [C] [=N] [C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [Ring1] [=N] [=Ring1] [#Branch2],-1.4980000000000002,Cn1cnc2n(C)c(=O)n(C)c(=O)c12
780,[C] [C] [=Branch1] [C] [=O] [S] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [C] [C] [C] [Branch1] [C] [C] [C] [Branch1] [#C] [C] [C] [C] [Ring1] [=Branch1] [C] [C] [C] [=Branch1] [C] [=O] [O] [Ring1] [=Branch1] [C] [Ring2] [Ring1] [=Branch2] [Ring1] [#C],-3.842,CC(=O)SC4CC1=CC(=O)CCC1(C)C5CCC2(C)C(CCC23CCC(=O)O3)C45
781,[O] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-4.254,O(c1ccccc1)c2ccccc2
782,[Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [=Branch1] [C] [=C] [Ring1] [#Branch1] [Cl] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [Branch2] [Cl],-7.343,Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)cc2Cl 
783,[N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring1] [=Branch1],-0.964,NC(=O)c1cccnc1 
784,[S] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.758,Sc1ccccc1
785,[C] [N] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [Branch1] [C] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [Branch2],-2.688,CNC(=O)Oc1cc(C)cc(C)c1
786,[Cl] [C] [C] [C] [C] [Branch1] [Branch1] [C] [Ring1] [Branch1] [Cl] [C] [Branch1] [C] [Cl] [C] [=Branch2] [Ring1] [C] [=C] [Branch1] [C] [Cl] [C] [Ring1] [#Branch2] [Branch1] [C] [Cl] [C] [Ring1] [Branch2] [Branch1] [C] [Cl] [Cl] [Cl],-6.039,ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl
787,[C] [S] [S] [C],-1.524,CSSC
788,[N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-1.501,NC(=O)c1ccccc1
789,[Cl] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Br],-3.84,Clc1ccccc1Br
790,[C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O] [C] [O] [C] [Branch2] [Ring1] [C] [C] [O] [C] [O] [C] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring1] [Branch2] [O] [C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [C] [Ring2] [Ring1] [Ring1] [O],-1.493,COC(=O)c1ccccc1OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O
791,[C] [C] [N] [C] [=N] [C] [Branch1] [C] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring1] [Branch2] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N] [=C] [Ring2] [Ring1] [C] [Ring1] [=Branch1],-3.891,CCN2c1nc(C)cc(C)c1NC(=O)c3cccnc23 
792,[O] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [Branch2],-3.428,Oc1cc(Cl)cc(Cl)c1
793,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [Ring1] [#Branch2],-4.87,Cc1cccc2c1ccc3ccccc32
794,[C] [C] [C] [C] [C] [Branch1] [Ring1] [C] [C] [C] [O],-2.089,CCCCC(CC)CO
795,[C] [C] [Branch1] [C] [C] [N] [Branch1] [=Branch1] [C] [Branch1] [C] [C] [C] [C] [=Branch1] [C] [=O] [S] [C] [C] [=Branch1] [Ring1] [=C] [Cl] [Cl],-3.827,CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl
796,[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.713,Cc1ccccc1
797,[C] [C] [C] [C] [=C] [C] [C] [Ring1] [#Branch1],-2.599,C1CCC=CCC1
798,[C] [O] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [Branch1] [C] [C] [C] [Ring1] [Branch2] [O] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [Ring1] [O] [C] [=C] [C] [Branch1] [Ring1] [O] [C] [=C] [Ring1] [O] [C] [Ring1] [=C] [=O],-3.3280000000000003,COC1=CC(=O)CC(C)C13Oc2c(Cl)c(OC)cc(OC)c2C3=O
799,[C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [O],-2.814,CCCCCCCCCCO
800,[C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [C],-2.938,CCC(C)(C)CC
801,[C] [N] [C] [=Branch1] [C] [=O] [C] [Branch1] [C] [C] [S] [C] [C] [S] [P] [=Branch1] [C] [=O] [Branch1] [Ring1] [O] [C] [O] [C],-1.446,CNC(=O)C(C)SCCSP(=O)(OC)(OC)
802,[O] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [Cl],-4.335,Oc1cc(Cl)c(Cl)c(Cl)c1Cl
803,[C] [C] [C] [C] [=O],-0.7490000000000001,CCCC=O
804,[C] [C] [C] [C] [C] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Ring1] [#Branch1] [Branch1] [C] [C] [C] [Ring1] [N] [Branch1] [C] [F] [C] [Branch1] [C] [O] [C] [C] [Ring2] [Ring1] [C] [Branch1] [C] [C] [C] [Ring2] [Ring1] [=Branch1] [Branch1] [C] [O] [C] [=Branch1] [C] [=O] [C] [O] [C] [Branch1] [C] [C] [=O],-3.933,CC4CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)COC(C)=O 
805,[C] [C] [C] [C],-1.907,CCCC
806,[C] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [O],-1.941,COc1ccccc1O
807,[C] [C] [C] [C] [C] [C] [C] [C] [Branch1] [C] [O] [Branch1] [=Branch1] [C] [=Branch1] [C] [=O] [C] [C] [Ring1] [=Branch2] [Branch1] [C] [C] [C] [C] [Branch1] [C] [O] [C] [Ring1] [#C] [Branch1] [C] [F] [C] [Branch1] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [=C] [Ring2] [Ring1] [#Branch2] [Ring1] [Branch2],-3.507,CC1CC2C3CCC(O)(C(=O)C)C3(C)CC(O)C2(F)C4(C)C=CC(=O)C=C14
808,[Cl] [C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [Branch1] [C] [Cl] [Cl],-3.382,ClC(Cl)C(Cl)(Cl)Cl
809,[C] [C] [O] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [O] [C] [C],-3.016,CCOC(=O)c1ccccc1C(=O)OCC
810,[C] [C] [Branch1] [C] [C] [C] [O],-0.672,CC(C)CO
811,[C] [C] [Branch1] [C] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.57,CC(C)Cc1ccccc1
812,[I] [C] [I],-2.958,ICI
813,[C] [C] [C] [C] [Branch1] [C] [O] [C] [C] [C],-1.6780000000000002,CCCC(O)CCC
814,[C] [C] [C] [C] [C] [O] [C] [=Branch1] [C] [=O] [C],-1.833,CCCCCOC(=O)C
815,[O] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [Cl],-4.203,Oc1c(Cl)c(Cl)cc(Cl)c1Cl
816,[C] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.281,CCCc1ccccc1
817,[F] [C] [Branch1] [C] [F] [Branch1] [C] [Cl] [C] [Branch1] [C] [F] [Branch1] [C] [F] [Cl],-2.697,FC(F)(Cl)C(F)(F)Cl
818,[C] [C] [=C] [C] [=O],-0.604,CC=CC=O
819,[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C],-0.495,CN(C)C(=O)N(C)C 
820,[C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [N] [C] [=Branch1] [C] [=O] [C] [=C] [Branch1] [C] [O] [C] [=C] [C] [=C] [Ring1] [#Branch1],-3.782,c1ccccc1NC(=O)c2c(O)cccc2
821,[C] [C] [N] [Branch1] [Ring1] [C] [C] [C] [=Branch1] [C] [=S] [S] [C] [C] [Branch1] [C] [Cl] [=C],-3.254,CCN(CC)C(=S)SCC(Cl)=C
822,[Cl] [C] [C],-1.165,ClCC
823,[C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [Branch1] [P] [N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [=C] [Branch1] [C] [C] [C] [=C] [Ring1] [#C] [C],-3.165,CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C
824,[O] [=C] [Branch2] [Ring1] [C] [C] [=C] [C] [=C] [C] [=C] [C] [=C] [O] [C] [O] [C] [Ring1] [Branch1] [=C] [Ring1] [=Branch2] [N] [C] [C] [C] [C] [C] [Ring1] [=Branch1],-3.659,O=C(C=CC=Cc2ccc1OCOc1c2)N3CCCCC3
825,[C] [C] [/C] [=C] [\C],-2.076,CC/C=C\C
826,[O] [=C] [N] [C] [=Branch1] [C] [=O] [C] [Branch1] [#Branch2] [C] [C] [C] [C] [C] [C] [C] [Ring1] [Branch2] [C] [=Branch1] [C] [=O] [N] [Ring1] [#C],-2.2840000000000003,O=C2NC(=O)C1(CCCCCCC1)C(=O)N2
827,[C] [Branch1] [=Branch2] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [=C] [C] [Branch1] [=Branch2] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [=C] [C] [Branch1] [Branch2] [O] [C] [=Branch1] [C] [=O] [N] [C] [=C] [Ring2] [Ring1] [Ring1],-4.642,c1(C(C)(C)C)cc(C(C)(C)C)cc(OC(=O)NC)c1
828,[O] [C] [=C] [C] [Branch1] [C] [O] [=C] [C] [=Branch1] [C] [=O] [C] [C] [Branch1] [Branch2] [O] [C] [Ring1] [#Branch1] [=C] [Ring1] [N] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [Branch1] [C] [O] [=C] [Ring1] [Branch2],-3.152,Oc2cc(O)c1C(=O)CC(Oc1c2)c3ccc(O)c(O)c3
829,[O] [=C] [Branch1] [=Branch2] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.612,O=C(c1ccccc1)c2ccccc2
830,[C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C],-7.576,CCCCCCCCCCCCCCCCCCCC
831,[N] [Branch1] [#Branch2] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-3.492,N(Nc1ccccc1)c2ccccc2 
832,[C] [C] [C] [Branch1] [Ring1] [C] [C] [C] [O],-1.381,CCC(CC)CO
833,[O] [C] [=C] [C] [=N] [C] [=C] [Ring1] [=Branch1],-1.655,Oc1ccncc1
834,[Cl] [\C] [=C] [/Cl],-1.561,Cl\C=C/Cl
835,[C] [C] [C] [C] [C] [C] [Ring1] [Branch1],-2.452,CC1CCCC1
836,[C] [C] [Branch1] [C] [C] [C] [C] [Branch1] [C] [C] [O],-1.308,CC(C)CC(C)O
837,[O] [C] [=C] [C] [=C] [Branch1] [C] [N] [C] [=C] [Ring1] [#Branch1] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [Branch1] [C] [C] [=C] [C] [=C] [Ring2] [Ring1] [Ring1] [Ring1] [#Branch1],-3.125,O2c1ccc(N)cc1N(C)C(=O)c3cc(C)ccc23 
838,[C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [Branch1] [=N] [O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [N] [C] [=N] [C] [=N] [Ring1] [Branch1],-4.132,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2
839,[C] [C] [=C] [C] [=Branch1] [Branch1] [=N] [O] [Ring1] [Branch1] [C] [=Branch1] [C] [=O] [N] [N] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1],-2.251,Cc1cc(no1)C(=O)NNCc2ccccc2
840,[O] [C] [=C] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Ring1] [#Branch1] [C] [C] [=C] [C] [Branch1] [C] [Cl] [=C] [C] [=C] [Ring1] [#Branch1] [O],-4.924,Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O
841,[O] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [#C] [Ring1] [=Branch1],-3.34,O=C1c2ccccc2C(=O)c3ccccc13
842,[C] [C] [=C] [Branch1] [=C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [C] [O] [Ring1] [P],-2.169,CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1
843,[O] [=C] [N] [C] [=Branch1] [C] [=O] [C] [=Branch1] [C] [=O] [N] [Ring1] [#Branch1],1.091,O=C1NC(=O)C(=O)N1 
844,[C] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring1] [O] [C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1] [#Branch1] [S] [C] [=C] [C] [=C] [Branch1] [N] [O] [P] [=Branch1] [C] [=S] [Branch1] [Ring1] [O] [C] [O] [C] [C] [=C] [Ring1] [=N] [C] [=C] [Ring2] [Ring1] [Ring2],-6.678,COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1
845,[N] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [C] [=Branch1] [#Branch1] [=C] [C] [=C] [Ring1] [=Branch1] [Cl] [C] [Branch1] [C] [O] [N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [O] [Ring1] [=Branch1],-2.564,NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23
846,[C] [C] [Branch1] [C] [C] [C] [O] [C] [=Branch1] [C] [=O] [C],-1.463,CC(C)COC(=O)C
847,[C] [C] [Branch1] [C] [C] [C] [Branch1] [C] [C] [Branch1] [C] [C] [C],-2.922,CC(C)C(C)(C)C
848,[Cl] [C] [=C] [C] [=C] [Branch1] [=Branch2] [C] [Branch1] [C] [Cl] [=C] [Ring1] [#Branch1] [Cl] [C] [=C] [Branch1] [C] [Cl] [C] [=C] [Branch1] [C] [Cl] [C] [Branch1] [C] [Cl] [=C] [Ring1] [=Branch2] [Cl],-7.746,Clc1ccc(c(Cl)c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl 
849,[N] [#C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [#N],-1.717,N#Cc1ccccc1C#N
850,[F] [C] [Branch1] [C] [F] [Branch1] [C] [F] [C] [Branch1] [C] [Cl] [Br],-2.608,FC(F)(F)C(Cl)Br 
851,[C] [N] [C] [=Branch1] [C] [=O] [O] [N] [=C] [Branch1] [Ring1] [S] [C] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C],-0.908,CNC(=O)ON=C(SC)C(=O)N(C)C
852,[C] [C] [S] [C] [C] [S] [P] [=Branch1] [C] [=S] [Branch1] [Ring1] [O] [C] [O] [C],-3.323,CCSCCSP(=S)(OC)OC
853,[C] [C] [C] [Branch1] [C] [C] [C],-2.245,CCC(C)C