0 B6R0.3 CCC(F)C(=O)O 2121-3-0L [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 NC(CF)C(=O)O 4157-3-01 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.1 NCCC(N)=O 4148-5-0C [1,0,0,0,0,0|2,0,0]=3 3 B5R0.1 O=C(O)\C=C\Br 2321-9-E0 [1,0,0,0,0,0|1,0,2]=4 4 B5R0.3 CC(CO)CBr 2101-9-0B [1,0,0,0,0,0|2,0,1]=4 5 B5R0.5 CC(C)C(C)O 2102-1-03 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.5 O=C(F)C(F)F 2116-3-03 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.5 O=C([O-])C(F)F 2122-2-21 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,1,0,0,0,0|3,0,0]=4 10 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [0,1,0,0,0,0|2,0,0]=3 11 B7R0.10 CN[C@H](C)C(=O)OC 4158-5-RJ [0,1,0,0,0,0|3,0,0]=4 12 B7R0.10 COC(=O)C(O)CN 4158-5-50 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.10 COC(=O)[C@H](C)CO 2129-1-RC [0,1,0,0,0,0|1,1,0]=3 14 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [0,1,0,0,0,0|1,0,1]=3 15 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,1,0,0,0,0|2,0,0]=3 16 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,1,0,0,0,0|0,1,0]=2 17 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.4 N[C@@H]1COC[C@@H]1O 4H56-5-8A [0,0,0,1,0,0|1,1,1]=4 19 B7R1.4 N[C@@H]1COC[C@H]1O 4H56-5-8E [0,0,0,1,0,0|1,1,1]=4 20 B7R1.4 O=C1CCCC1Br 2215-9-00 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.8 O=C1CCC1CO 2220-1-06 [0,0,0,1,0,0|2,1,0]=4 23 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [0,0,0,1,0,0|2,0,0]=3 27 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [0,0,0,1,0,0|1,0,0]=2 29 B7R1.19 CC1(C(N)=O)CC1 4248-1-0B [0,0,0,1,0,0|3,0,0]=4 30 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [0,0,0,0,0,1|3,0,0]=4 31 B7R0.2 O=C(O)CC(=O)CCl 2129-5-0F [0,0,0,0,0,1|2,0,1]=4 32 B4R0.1 CC(N)C#N 3137-1-0B [2,0,0,0,0,0|1,0,1]=4 33 B4R0.1 CC(N)CF 3130-7-09 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.4 O=C(O)\C=C\CCl 2321-5-03 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.8 CC(C)(C=O)CO 2115-1-0A [1,1,0,0,0,0|1,1,0]=4 36 B6R0.7 C[C@H](N)C(C)(C)O 4156-1-63 [1,1,0,0,0,0|1,0,1]=4 37 B6R0.7 O=C(O)C(F)(Cl)Br 2121-F-01 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.7 O=C(O)C(F)(F)F 4H22-3-0C [1,1,0,0,0,0|2,0,0]=4 39 B6R0.7 O=C(O)C(F)(F)F 4H22-3-R0 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.7 O=C(O)C(F)(F)F 4H22-3-S0 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.7 O=C(O)C(F)(F)F 4H56-3-7R [1,1,0,0,0,0|2,0,0]=4 42 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,1,0,0,0,1|2,0,0]=4 43 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [0,1,0,0,0,1|1,0,0]=3 44 B8R0.19 COC(=O)C[C@@H](O)CCl 2129-5-R0 [0,1,0,0,0,1|2,0,0]=4 45 B8R0.3 C=CC[C@H](N)C(=O)OC 4358-1-S0 [0,2,0,0,0,0|1,0,0]=3 46 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [0,2,0,0,0,0|2,0,0]=4 47 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [0,2,0,0,0,0|1,0,0]=3 48 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [0,2,0,0,0,0|1,0,0]=3 49 B8R0.12 CNCC(F)(F)C(=O)O 4157-7-06 [0,2,0,0,0,0|2,0,0]=4 50 B8R0.13 COC(=O)C(C)(C)CN 4130-5-01 [0,2,0,0,0,0|2,0,0]=4 51 B6R1.2 O=C1CCNN1 4H48-5-FV [1,0,0,1,0,0|2,0,0]=4 52 B6R1.5 O=C1CC(Br)C1 2217-9-03 [1,0,0,1,0,0|2,0,0]=4 53 B6R1.5 O=C1CC(F)C1 2217-3-0D [1,0,0,1,0,0|2,0,0]=4 54 B6R1.5 O=C1CC(O)C1 2220-1-00 [1,0,0,1,0,0|1,1,0]=4 55 B6R1.4 N[C@@H]1CC[C@@H]1O 4256-5-Z2 [1,0,0,1,0,0|1,0,1]=4 56 B6R1.6 O=CC1COC1 2H15-1-22 [1,0,0,1,0,0|1,1,0]=4 57 B6R1.6 OCC1CSC1 6H66-1-64 [1,0,0,1,0,0|1,0,1]=4 58 B6R1.6 OC[C@H]1CCN1 4H56-1-R9 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [0,0,0,1,0,1|2,0,0]=4 60 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [0,0,0,1,0,1|2,0,0]=4 61 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [0,1,0,1,0,0|1,1,0]=4 63 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,1,0,1,0,0|1,1,0]=4 70 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [0,1,0,1,0,0|1,0,0]=3 71 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [0,1,0,1,0,0|1,0,0]=3 72 B8R1.78 CC1(C(=O)O)CNC1 4H58-5-7H [0,1,0,1,0,0|2,0,0]=4 73 B8R1.78 O=C(O)C1(F)CNC1 4H21-3-4U [0,1,0,1,0,0|2,0,0]=4