0 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 CC(C)CN=C=S 7168-1-X1 [0,0,0,0,0,0|1,1,2]=4 2 B6R0.4 CC(C)OCCO 2107-1-0H [0,0,0,0,0,0|1,0,3]=4 3 B6R0.4 CN(C)\C=C\C#N 3337-1-Z0 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 C=CCC(C)O 2302-1-00 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.1 C=COC(C)=O 2324-1-50 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CC(C)=CCBr 1300-9-X0 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 CC(C)=CCCl 1300-5-X0 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.1 CC(C)CCI 1100-H-X4 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CC(C)CCN 3130-1-X4 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 CC(C)CCO 2101-1-53 [1,0,0,0,0,0|0,0,3]=4 11 B5R0.1 CC(C)CNN 3139-5-X0 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CC(C)N=C=S 7168-1-X2 [1,0,0,0,0,0|1,1,1]=4 13 B5R0.1 CCCC(C)C 1100-1-04 [1,0,0,0,0,0|0,0,3]=4 14 B5R0.2 BrC\C=C\CBr 1300-9-X6 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 C=CCCCC 1300-1-48 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.2 CCCCC=O 2115-1-00 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.2 CC(C)NC(=S)NN 7167-1-17 [0,1,0,0,0,0|3,0,0]=4 18 B7R0.6 CC(=O)\C=C\C(C)C 2317-1-04 [0,1,0,0,0,0|0,0,0]=1 19 B7R0.6 CC(C)=NNC(N)=O 4153-1-0A [0,1,0,0,0,0|2,0,1]=4 20 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [0,1,0,0,0,0|0,0,2]=3 21 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [0,1,0,0,0,0|1,0,1]=3 22 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [0,1,0,0,0,0|0,0,0]=1 24 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.6 O=C(O)\C=C/C(=O)O 2321-1-07 [0,1,0,0,0,0|2,0,1]=4 26 B7R1.2 CC1=CC=C(Br)S1 5H66-9-14 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.2 CC1=CC=C(C)O1 2H10-1-X9 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.2 CC1=CC=C(C)S1 5H66-1-X3 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.2 CC1=CC=C(I)S1 5H66-H-01 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.2 CC1=NN(C)C=C1 3H32-1-2N [0,0,0,1,0,0|3,0,0]=4 31 B7R1.2 CC1=NNC(=O)C1 4H17-1-1W [0,0,0,1,0,0|2,0,1]=4 32 B7R1.2 CN1C=CC(I)=N1 3H32-H-12 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.2 CN1C=CC(N)=N1 3H30-1-L7 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.2 O=C1C=CC(=O)N1 4H48-1-T0 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.3 CC1=CC=CN=N1 3H32-1-A9 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.3 CC1=CCC=CC1 1200-1-0A [0,0,0,1,0,0|1,0,2]=4 38 B4R0.1 C=CC(=C)C 1300-1-49 [2,0,0,0,0,0|0,0,2]=4 39 B4R0.1 C=CC(C)C 1300-1-26 [2,0,0,0,0,0|0,0,0]=2 40 B4R0.1 C=CC(C)Cl 1300-5-41 [2,0,0,0,0,0|1,0,0]=3 41 B4R0.1 CC(=O)C=O 2117-1-X0 [2,0,0,0,0,0|1,0,1]=4 42 B4R0.1 CC(=O)C=O 2117-1-X0A [2,0,0,0,0,0|1,0,1]=4 43 B4R0.1 CC(C)C#N 3137-1-Y4 [2,0,0,0,0,0|1,0,1]=4 44 B4R0.1 CC(C)C=O 2115-1-13 [2,0,0,0,0,0|0,0,0]=2 45 B4R0.1 CC(C)NN 3139-5-X2 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 CC(C)[Mg]Cl 9112-5-04 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.1 CN(C)C=O 4148-1-03 [2,0,0,0,0,0|1,0,0]=3 48 B4R0.2 C=CCCBr 1300-9-04 [2,0,0,0,0,0|1,0,1]=4 49 B4R0.2 C=CCCC 1300-1-09 [2,0,0,0,0,0|0,0,1]=3 50 B4R0.2 C\C=C\CC 1300-1-05 [2,0,0,0,0,0|0,0,1]=3 51 B4R0.2 Cl\C=C\CCl 1300-5-28 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.2 CC(=O)CC(C)C 2118-1-02 [1,1,0,0,0,0|0,0,1]=3 53 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.2 CC(=O)\C=C(\C)[O-] 9128-1-X0 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [1,1,0,0,0,0|0,0,1]=3 56 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [1,1,0,0,0,0|0,0,1]=3 57 B6R0.2 CC(C)NC(N)=S 7167-1-18 [1,1,0,0,0,0|1,1,0]=4 58 B6R0.2 CC(Cl)OC(=O)Cl 2116-5-X1 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.2 CN(C)CC(=O)O 4158-1-40 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.3 CC(C)C(=N)NO 4156-1-Z3 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.3 CCC(=O)C(C)C 2117-1-18 [1,1,0,0,0,0|0,0,2]=4 63 B6R0.5 C=CC[Si](C)(C)C 5380-1-01 [1,1,0,0,0,0|0,1,1]=4 64 B6R0.5 C=CC[Si](C)(C)Cl 5381-5-03 [1,1,0,0,0,0|0,1,1]=4 65 B6R0.5 CC(C)(C)ON=O 4145-1-X1 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.6 CCCCCC=O 2115-1-X2 [1,1,0,0,0,0|0,0,2]=4 67 B8R0.23 CC(C)C[C@H](O)C(=O)O 2129-1-SB [0,2,0,0,0,0|0,0,2]=4 68 B8R0.9 COC(=O)\C=C\C(C)C 2323-1-X3 [0,2,0,0,0,0|0,0,0]=2 69 B8R0.14 CC(C)(C)C(=O)CC=O 2117-1-0H [0,2,0,0,0,0|0,0,1]=3 70 B8R0.14 CC(C)(C)\C(Cl)=C\C#N 3337-5-X9 [0,2,0,0,0,0|1,0,1]=4 71 B8R0.29 CC(C)(C)OCC(=O)O 2121-1-X5 [0,2,0,0,0,0|1,0,1]=4 72 B8R0.29 NC(=O)\C=C\C(F)(F)F 4348-3-01 [0,2,0,0,0,0|2,0,0]=4 73 B8R0.29 O=C(Cl)\C=C\C(F)(F)F 2316-7-01 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.29 O=C(O)\C=C\C(F)(F)F 2321-3-44 [0,2,0,0,0,0|2,0,0]=4 75 B6R1.2 CC1=CC=CS1 5H66-1-X9 [1,0,0,1,0,0|1,0,1]=4 76 B6R1.2 CN1C=CC=C1 3H32-1-3X [1,0,0,1,0,0|1,0,1]=4 77 B6R1.2 CN1C=CC=N1 3H32-1-BC [1,0,0,1,0,0|2,0,0]=4 78 B6R1.2 OC1CC=CC1 2402-1-00 [1,0,0,1,0,0|1,0,1]=4 79 B6R1.1 C1=CCOCC1 2H10-1-53 [1,0,0,1,0,0|0,0,2]=4 80 B6R1.1 C1=COCCC1 2H02-1-12 [1,0,0,1,0,0|0,0,2]=4 81 B6R1.6 O=CC1CCC1 2215-1-03 [1,0,0,1,0,0|0,0,2]=4 82 B8R1.1 CC1=CC=C(C=O)S1 6H15-1-04 [0,1,0,1,0,0|1,0,1]=4 83 B8R1.1 CC1=CSC(C=O)=C1 6H15-1-X4 [0,1,0,1,0,0|0,0,2]=4 84 B8R1.1 CC1=CSC(C=O)=N1 8H70-1-M1 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.1 CC1=NC(C=O)=CN1 4H15-1-Q4 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.1 CC1=NC(C=O)=CO1 4H15-1-21 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.1 CC1=NC(C=O)=CS1 8H15-1-X1 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.1 CC1=NC=C(C=O)S1 8H15-1-X5 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [0,1,0,1,0,0|1,0,1]=4 90 B8R1.1 CN1C=C(C=O)C=N1 4H15-1-P3 [0,1,0,1,0,0|1,0,1]=4 91 B8R1.1 CN1C=CC(C=O)=N1 4H15-1-P4 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [0,1,0,1,0,0|0,0,2]=4 93 B8R1.18 CC1NC(=O)NC1=O 4H56-1-06L [0,1,0,1,0,0|2,0,0]=4 94 B8R1.18 CN1CC(=O)NC1=O 4H48-1-K8 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.3 CC1=NNC(=O)C=C1 4H01-1-0P [0,1,0,1,0,0|1,0,1]=4 96 B8R1.3 CC1=NNC(=O)C=C1 4H17-1-87 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.7 CC(C)=C1C=CC=C1 1400-1-13 [0,1,0,1,0,0|1,0,1]=4 98 B8R1.19 CC1(C)CONC1=O 4H56-1-417 [0,1,0,1,0,0|1,0,1]=4 99 B8R1.77 [C@H]1(C(N)=O)CC1(C)C 4248-1-S1 [0,1,0,1,0,0|0,0,2]=4 100 B8R2.38 O=C1CCC2CC12 2217-1-33 [0,0,0,2,0,0|0,0,2]=4