0 B9R1.132 COC1=C(Br)C(=O)CC1 2417-9-00 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.1 CCC1=NNC(N)=C1 3H30-1-FC [1,0,0,0,0,0|3,0,0]=4 2 B8R1.1 CCC1=NOC(I)=C1 4H56-H-59 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.1 CCC1CCC(=O)O1 2H25-1-20 [1,0,0,0,0,0|1,0,1]=3 4 B8R1.1 COC1=CC(=O)CC1 2417-1-0G [1,0,0,0,0,0|1,0,0]=2 5 B8R1.1 COC1=CC(=O)NC1 4H48-1-00H [1,0,0,0,0,0|2,0,0]=3 6 B8R1.1 CSC1=NC(=O)CS1 8H70-1-2C [1,0,0,0,0,0|3,0,0]=4 7 B8R1.1 NCC1CCC(=O)N1 4H48-1-QQ [1,0,0,0,0,0|2,0,1]=4 8 B8R1.1 O=C1C=C(CBr)CO1 2H25-9-63 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.1 O=C1CC[C@@H](CBr)N1 4H48-9-S0 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.1 O=C1CC[C@@H](CO)N1 4H48-1-KC [1,0,0,0,0,0|2,0,1]=4 11 B8R1.1 O=C1CC[C@@H](CO)O1 2H20-1-01 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.1 O=C1CC[C@H](CBr)N1 4H48-9-R0 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.11 CCC1=NNC=C1C 3H33-5-0V [1,0,0,0,0,0|3,0,0]=4 14 B8R1.11 CCN1CCCC1=O 4H48-1-037 [1,0,0,0,0,0|1,0,2]=4 15 B8R1.50 CC1=C(Br)C(=O)NN1 4H48-9-86 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.50 CC1=C(C)C(=O)NC1 4H48-1-Q8 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.50 CC1=C(O)C(=O)OC1 2H25-1-56 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.50 CC1=NNC(C)=C1O 4H01-1-D5 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.50 CC1CCC(=O)C1=O 2218-1-00 [1,0,0,0,0,0|0,0,2]=3 20 B10R1.34 CCC1OC(C)C(=O)C1=O 2H18-1-0F [0,1,0,0,0,0|1,0,2]=4 21 B10R1.94 CCOC1=C(C)C(=O)NC1 4H17-1-91 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.2 CCC(C)C(=O)C(=O)O 2129-1-1A [0,0,1,0,0,0|1,0,2]=4 23 B8R0.3 CCOC(=O)C(=O)CC 2129-1-1C [0,0,1,0,0,0|1,0,1]=3 24 B8R0.6 CCCCCC(=O)OC 2123-1-90 [0,0,1,0,0,0|2,0,1]=4 25 B8R0.6 CCNCCC(=O)OC 4158-1-0D [0,0,1,0,0,0|3,0,0]=4 26 B10R2.32 O=C1CCC2=C1SC=C2 6H17-1-0D [0,0,0,1,0,0|0,1,2]=4 27 B10R1.2 CCC1=C(O)C(=O)C=CO1 2H20-1-43 [0,0,0,0,0,1|0,0,2]=3 28 B10R1.2 CCN1CCNC(=O)C1=O 4H18-1-26 [0,0,0,0,0,1|1,0,1]=3 29 B10R1.25 CC1=C(C#N)CCC(=O)N1 4H37-1-5U [0,0,0,0,0,1|2,0,1]=4 30 B10R1.25 CCC1=CC=C(O)C=C1O 2704-1-30 [0,0,0,0,0,1|0,0,3]=4 31 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 2701-5-0A [0,0,0,0,0,1|1,0,2]=4 32 B10R1.176 CCC1=CC=C(O)C(O)=C1 2704-1-0D [0,0,0,0,0,1|0,0,3]=4 33 B10R1.176 O=C1C=C(CCl)OCC1=O 2H18-5-00 [0,0,0,0,0,1|2,0,1]=4 34 B7R0.2 CCC(=O)CC(C)=O 2118-1-09 [1,0,1,0,0,0|1,0,1]=4 35 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [1,0,1,0,0,0|2,0,0]=4 36 B7R0.10 CCC(=O)C(=O)OC 2129-1-61 [1,0,1,0,0,0|1,0,1]=4 37 B7R0.10 CC[C@@H](O)C(=O)OC 2129-1-R6 [1,0,1,0,0,0|1,0,1]=4 38 B7R0.10 C\C=C(\C)C(=O)OC 2323-1-1B [1,0,1,0,0,0|2,0,0]=4 39 B7R0.3 C=CC(=O)NCCC 4348-1-15 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.3 CCCCC(=O)CC 2117-1-03 [1,0,1,0,0,0|0,0,2]=4 41 B7R0.3 COC(=O)CCC=O 2123-1-29 [1,0,1,0,0,0|1,0,1]=4 42 B7R0.3 CO\C=C\C(=O)OC 2124-1-00 [1,0,1,0,0,0|2,0,0]=4 43 B7R0.4 C=C(Br)CCCCC 1300-9-09 [1,0,1,0,0,0|1,0,1]=4 44 B7R0.4 C=C(C)CCCCC 1300-1-36 [1,0,1,0,0,0|1,0,1]=4 45 B7R0.4 C=C(Cl)CCCCC 1300-5-27 [1,0,1,0,0,0|1,0,1]=4 46 B7R0.4 CCCCCC(C)=O 2117-1-14 [1,0,1,0,0,0|0,0,2]=4 47 B7R0.4 CCCCCC(N)=O 4148-1-1F [1,0,1,0,0,0|1,0,1]=4 48 B7R0.4 CCCOCC(=O)O 2121-1-0F [1,0,1,0,0,0|1,0,1]=4 49 B7R0.4 CCOCCC(=O)O 2121-1-0E [1,0,1,0,0,0|1,0,0]=3 50 B7R0.4 COCCCC(=O)O 2121-1-51 [1,0,1,0,0,0|1,0,1]=4 51 B7R0.4 C\C=C\CCC(=O)O 2321-1-X1 [1,0,1,0,0,0|0,0,1]=3 52 B7R0.4 NCCCCC(=O)O 4157-1-22 [1,0,1,0,0,0|1,0,1]=4 53 B7R0.4 O=C(O)CCCCCl 2121-5-05 [1,0,1,0,0,0|1,0,1]=4 54 B7R0.15 CCN(CC)C(C)=O 4148-1-0J [1,0,1,0,0,0|2,0,0]=4 55 B7R0.15 CCN(CC)C(N)=O 4153-1-0C [1,0,1,0,0,0|2,0,0]=4 56 B7R1.1 BrCC1=CCCC1 1400-9-07 [2,0,0,0,0,0|1,0,1]=4 57 B7R1.1 CCC1=CC=CS1 5H66-1-00 [2,0,0,0,0,0|1,0,1]=4 58 B7R1.2 CC1=CC(=O)CO1 2H17-1-80 [2,0,0,0,0,0|1,0,0]=3 59 B7R1.2 O=C1C=C(Br)CO1 2425-9-00 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.2 O=C1C=C(O)CO1 2H20-1-33 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.4 NC1=CCOC1=O 4H56-1-HN [2,0,0,0,0,0|2,0,0]=4 62 B7R1.4 O=C1CCC=C1Br 2417-9-01 [2,0,0,0,0,0|1,0,0]=3 63 B9R0.12 CC\C=C(/C#N)C(=O)OC 4337-1-E1 [0,1,1,0,0,0|2,0,0]=4 64 B9R0.35 CCCC(=O)C(=O)OCC 2129-1-1D [0,1,1,0,0,0|0,0,2]=4 65 B9R0.35 CCCC(=O)C(O)CCC 2120-1-06 [0,1,1,0,0,0|0,0,2]=4 66 B9R0.46 C=CC(=O)OCCOCC 2324-1-13 [0,1,1,0,0,0|2,0,0]=4 67 B9R1.37 CC1CC(=O)C(=O)C1C 2218-1-16 [1,1,0,0,0,0|0,0,2]=4 68 B9R1.3 O=C1CCCC(O)=C1Cl 2420-5-01 [0,0,1,1,0,0|2,0,0]=4 69 B9R1.5 O=C1CCCCNC1=O 4H48-1-KL [0,0,1,1,0,0|1,0,1]=4 70 B9R2.39 O=C1CC2CCC1C2 2217-1-39 [1,0,0,1,0,0|0,0,2]=4 71 B9R2.39 O=C1NC2CCC1C2 4H48-1-CD [1,0,0,1,0,0|1,0,1]=4 72 B9R2.39 O=C1OC2CCC1C2 2H25-1-2A [1,0,0,1,0,0|1,0,1]=4 73 B9R2.139 O=C1CCC2(CC2)N1 4H48-1-08S [1,0,0,1,0,0|1,0,1]=4 74 B11R2.106 O=C1NC=CC2=C1OCC2 4H17-1-82 [0,0,0,1,0,1|0,0,2]=4