0 B6R0.3 CCC(F)C(=O)O 2121-3-0L [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 CNC(C)C(C)C 3131-1-0B [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 NC(CF)C(=O)O 4157-3-01 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 NCCC(N)=O 4148-5-0C [1,0,0,0,0,0|2,0,0]=3 4 B5R0.3 CN[C@@H](C)CO 4156-5-S1 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.5 CC(C)C(C)O 2102-1-03 [1,0,0,0,0,0|1,0,2]=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|3,0,0]=4 8 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,1,0,0,0,0|2,0,0]=3 9 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,1,0,0,0,0|1,0,0]=2 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|2,0,0]=3 12 B7R0.10 COC(=O)C(O)CN 4158-5-50 [0,1,0,0,0,0|1,1,0]=3 13 B7R0.10 COC(=O)[C@H](C)CO 2129-1-RC [0,1,0,0,0,0|2,0,0]=3 14 B7R0.13 CCC(C)(C)[S@](N)=O 8169-1-R3 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,1,0,0,0,0|2,0,0]=3 17 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,1,0,0,0,0|2,0,0]=3 18 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.4 O=C1CCCC1Br 2215-9-00 [0,0,0,1,0,0|1,0,0]=2 20 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [0,0,0,1,0,0|1,1,0]=3 21 B7R1.8 O=C1CCC1CO 2220-1-06 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.17 CC1(C)CCC1O 2202-1-0E [0,0,0,1,0,0|1,1,1]=4 26 B7R1.18 CC(N)C1CCC1 3230-5-0B [0,0,0,1,0,0|2,0,1]=4 27 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [0,0,0,1,0,0|2,0,0]=3 28 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [0,0,0,1,0,0|1,1,0]=3 29 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.19 CC(N)C1(C)CC1 3231-5-0A [0,0,0,1,0,0|2,0,1]=4 31 B7R1.19 CC1(C(N)=O)CC1 4248-1-0B [0,0,0,1,0,0|2,0,0]=3 32 B7R1.27 CCC1(C)ON1C 4H56-1-03N [0,0,0,1,0,0|2,0,1]=4 33 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [0,0,0,0,0,1|3,0,0]=4 34 B4R0.1 CC(N)CF 3130-7-09 [2,0,0,0,0,0|2,0,0]=4 35 B4R0.1 CNC(C)=S 7167-1-41 [2,0,0,0,0,0|1,1,0]=4 36 B4R0.2 C=CCNC 3331-1-01 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.1 CCNC(=O)CBr 4148-9-03 [1,1,0,0,0,0|1,0,0]=3 38 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [1,1,0,0,0,0|1,0,0]=3 39 B6R0.2 C[C@@H](N)CN(C)C 3132-5-R0 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.2 C[C@H](N)CN(C)C 3132-5-S0 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.4 CN(C)CCCBr 3132-9-02 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.8 CC(C)(C=O)CO 2115-1-0A [1,1,0,0,0,0|2,0,0]=4 43 B6R0.8 CCC(C)(C)NC 3131-1-0A [1,1,0,0,0,0|2,0,0]=4 44 B6R0.7 CC(=O)C(F)(F)F 2117-3-01B [1,1,0,0,0,0|2,0,0]=4 45 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 46 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [0,1,0,0,0,1|2,0,0]=4 47 B8R0.19 COC(=O)C[C@@H](O)CCl 2129-5-R0 [0,1,0,0,0,1|1,1,0]=4 48 B8R0.3 C=CC[C@H](N)C(=O)OC 4358-1-S0 [0,2,0,0,0,0|1,0,1]=4 49 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [0,2,0,0,0,0|1,0,0]=3 50 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [0,2,0,0,0,0|1,0,0]=3 51 B8R0.3 CCOC(=O)[C@@H](C)OC 2123-1-R4 [0,2,0,0,0,0|2,0,0]=4 52 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [0,2,0,0,0,0|2,0,0]=4 53 B8R0.12 CC(C)(CCCl)C(=O)Cl 2116-5-25 [0,2,0,0,0,0|2,0,0]=4 54 B8R0.12 CNCC(F)(F)C(=O)O 4157-7-06 [0,2,0,0,0,0|2,0,0]=4 55 B8R0.13 COC(=O)C(C)(C)CN 4130-5-01 [0,2,0,0,0,0|2,0,0]=4 56 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [1,0,0,1,0,0|1,0,1]=4 57 B6R1.2 O=C1CCNN1 4H48-5-FV [1,0,0,1,0,0|2,0,0]=4 58 B6R1.5 C=C1CC(N)C1 3330-5-00 [1,0,0,1,0,0|2,0,0]=4 59 B6R1.5 CN1CC(=O)C1 4H17-5-2E [1,0,0,1,0,0|1,0,0]=3 60 B6R1.5 C[C@H]1C[C@@H](N)C1 3230-5-Z1 [1,0,0,1,0,0|1,0,1]=4 61 B6R1.5 O=C1CC(Br)C1 2217-9-03 [1,0,0,1,0,0|1,0,0]=3 62 B6R1.5 O=C1CC(F)C1 2217-3-0D [1,0,0,1,0,0|1,0,0]=3 63 B6R1.5 O=C1CC(O)C1 2220-1-00 [1,0,0,1,0,0|1,0,0]=3 64 B6R1.6 O=CC1COC1 2H15-1-22 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.1 NC[C@@H]1CCC(=O)N1 4H48-1-S0 [0,0,0,1,0,1|2,0,0]=4 66 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,0,0,1,0,1|1,0,0]=3 67 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,0,0,1,0,1|1,0,0]=3 68 B8R1.5 CC1COCCC1=O 2H17-1-79 [0,1,0,1,0,0|1,0,0]=3 69 B8R1.5 O=C1CCOCC1Cl 2H17-5-24 [0,1,0,1,0,0|1,0,0]=3 70 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [0,1,0,1,0,0|1,1,0]=4 73 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,1,0,1,0,0|1,0,0]=3 74 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 75 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 76 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,1,0,1,0,0|2,0,0]=4 77 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 78 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 79 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 80 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.78 CC1(C(=O)O)CNC1 4H58-5-7H [0,1,0,1,0,0|2,0,0]=4 84 B8R1.78 O=C(O)C1(F)CNC1 4H21-3-4U [0,1,0,1,0,0|2,0,0]=4 85 B8R1.38 O=C(CBr)C1CCC1 2217-9-0A [0,1,0,1,0,0|1,0,0]=3 86 B8R2.19 O=C1CCC12CC2 2217-1-0C [0,0,0,2,0,0|1,0,0]=3