0 B9R1.37 CC1=C(C)C(=O)OC1=O 2H26-1-X9 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.37 CC1=NN(C)C(C)=C1I 3H32-H-49 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.37 CC1=NN(C)C(C)=C1N 3H30-1-M7 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.18 CC1=CC(=O)OC1=O 2H26-1-Y0 [1,0,0,0,0,0|1,0,1]=3 4 B8R1.18 CC1=CC(C)=NN1C 3H32-1-52 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.18 CC1NC(=O)NC1=O 4H56-1-06L [1,0,0,0,0,0|3,0,0]=4 6 B8R1.18 CC1OC(=O)OC1C 2H28-1-17 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.18 C[C@@H]1OC(=O)O[C@H]1C 2H28-1-E0 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.18 O=C1C=C(Cl)C(=O)O1 2H26-5-02 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.50 CC1=C(C)C(N)=NO1 4H30-1-0Z [1,0,0,0,0,0|2,0,1]=4 10 B8R1.50 CC1=NOC(C)=C1Br 4H56-9-Q8 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.50 CC1=NOC(C)=C1N 4H30-1-Z8 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.50 CC1=NOC(N)=C1Cl 4H30-5-X6 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.50 O=C1CCC(=O)N1O 4H48-1-M9 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.50 O=C1COC(=O)C1Cl 2H18-5-02 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.50 O=C1OCC(Cl)=C1Cl 2H25-5-0P [1,0,0,0,0,0|2,0,0]=3 16 B10R1.191 CC1=C(C)C(C)C(C)=C1C 1400-1-12 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.191 CC1=C(C)C(C)C(C)C1=O 2417-1-04 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.256 CC1=C(C)C(C#N)=C(N)O1 4H37-1-X0 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 4157-1-0X [0,0,1,0,0,0|1,0,2]=4 20 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 4157-1-19 [0,0,1,0,0,0|1,0,2]=4 21 B8R0.3 C=C(CBr)C(=O)OCC 2323-9-02 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.3 C=CC(C)C(=O)OCC 2323-1-0A [0,0,1,0,0,0|1,0,2]=4 23 B8R0.3 CCOC(=O)C(=O)CBr 2129-9-X0 [0,0,1,0,0,0|1,0,2]=4 24 B8R0.3 CCOC(=O)C(O)CC 2129-1-0E [0,0,1,0,0,0|0,0,2]=3 25 B8R0.3 CCOC(=O)\C(Cl)=N\O 4147-5-X1 [0,0,1,0,0,0|3,0,0]=4 26 B8R1.25 O=C1C(=O)C(O)=C1O 2418-1-01 [0,0,0,0,1,0|2,0,1]=4 27 B10R1.22 CC1=CC(C)=C(C)C(O)=C1 2701-1-07 [0,0,0,0,0,1|2,0,1]=4 28 B10R1.22 CC1=CC(C)=C(O)C(Br)=C1 3701-9-X0 [0,0,0,0,0,1|2,0,1]=4 29 B10R1.22 CC1=CC(C)=C(O)C(N)=C1 4756-1-X0 [0,0,0,0,0,1|2,0,1]=4 30 B10R1.22 CC1=NC(S)=NC(O)=C1C 8H61-1-Z6 [0,0,0,0,0,1|1,1,1]=4 31 B10R1.118 CC1OC(=O)C(C)OC1=O 2H25-1-2U [0,0,0,0,0,1|2,0,1]=4 32 B7R0.5 CCOC(=O)C(=O)Cl 2116-5-06 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.5 CCOC(=O)C(C)=O 2129-1-01 [1,0,1,0,0,0|0,0,1]=3 34 B7R0.5 CCOC(=O)C(C)Br 2123-9-03 [1,0,1,0,0,0|1,0,1]=4 35 B7R0.5 CCOC(=O)C(C)F 2123-3-61 [1,0,1,0,0,0|1,0,1]=4 36 B7R0.5 CCOC(=O)C(N)=S 8167-1-X0 [1,0,1,0,0,0|1,1,0]=4 37 B7R0.5 CCOC(=O)[C@@H](C)F 2123-3-1Y [1,0,1,0,0,0|1,0,1]=4 38 B7R0.5 CCOC(=O)[C@H](C)O 2129-1-Y5 [1,0,1,0,0,0|0,0,1]=3 39 B7R0.10 C=CC(O)C(=O)OC 2129-1-79 [1,0,1,0,0,0|0,0,2]=4 40 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [1,0,1,0,0,0|0,0,2]=4 41 B7R0.16 CN(C)C(=O)C(=O)O 4156-1-Z5 [1,0,1,0,0,0|1,0,1]=4 42 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [1,0,1,0,0,0|1,0,1]=4 43 B7R0.7 CC#CC(=O)OCC 2524-1-01 [1,0,1,0,0,0|0,0,2]=4 44 B7R0.7 CCOC(=O)OCC 2123-1-11 [1,0,1,0,0,0|1,0,1]=4 45 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [2,0,0,0,0,0|1,0,0]=3 46 B7R1.2 CC1=CC(=O)NO1 4H56-1-4S [2,0,0,0,0,0|2,0,0]=4 47 B7R1.2 CC1=CC(C)=NO1 4H44-1-44 [2,0,0,0,0,0|2,0,0]=4 48 B7R1.2 CC1=CC=C(C)O1 2H10-1-X9 [2,0,0,0,0,0|1,0,1]=4 49 B7R1.2 CC1=NOC(N)=C1 4H30-1-Z2 [2,0,0,0,0,0|2,0,0]=4 50 B7R1.2 CN1C=C(O)C=N1 4H01-1-29 [2,0,0,0,0,0|2,0,0]=4 51 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [2,0,0,0,0,0|1,0,1]=4 52 B7R1.4 CC1=CC=NN1C 3H32-1-J0 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.35 CCCC(O)C(=O)OCC 2129-1-52 [0,1,1,0,0,0|0,0,2]=4 54 B9R0.35 CCOC(=N)C(=O)OCC 4156-1-80 [0,1,1,0,0,0|1,0,1]=4 55 B9R0.35 CCOC(=O)C(=O)OCC 2123-1-30 [0,1,1,0,0,0|0,0,2]=4 56 B9R0.37 CCOC(=O)\C(C#N)=N/O P311-A-45 [0,1,1,0,0,0|1,0,1]=4 57 B9R1.22 CC1=C(CCl)OC(=O)O1 2H28-5-00 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.22 CC1=C(CO)OC(=O)O1 2H25-1-2V [1,1,0,0,0,0|1,0,1]=4 59 B9R1.23 CC1=C(C)OC(C=O)=C1 2H15-1-06 [1,1,0,0,0,0|0,0,1]=3 60 B9R1.27 CCC1=C(C)CNC1=O 4H48-1-T3 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.34 CC1=CC(=O)C=C(C)O1 2H17-1-Y2 [1,0,0,0,0,1|1,0,1]=4 62 B9R1.34 CC1=CC(=O)NC(O)=C1 4H48-1-AC [1,0,0,0,0,1|1,0,1]=4 63 B9R1.34 CC1=CC(O)=CC(=O)O1 2H29-1-Y1 [1,0,0,0,0,1|0,0,1]=3