0 B6R0.1 CCC(C)CNC 3131-5-05 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C#CCCCN 3533-5-03 [1,0,0,0,0,0|1,0,2]=4 2 B5R0.2 C=CCNC#N 3337-1-04 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.2 CCO\C=C/Br 2307-9-01 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.2 CNCCSC 7166-5-02 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.2 FCCCCF 1100-3-44 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.2 NCCCCCl 3130-5-07 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.3 C=CC(C)ON 4347-5-31 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 CC(C)CC(N)C#N 3137-1-17 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,1,0,0,0,0|1,0,1]=3 11 B7R0.5 CCCC(F)=C(F)F 1300-3-00 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.10 OC(CCl)C(O)CCl 2104-5-01 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.11 CCCC(C)(C)C#N 3137-1-0M [0,1,0,0,0,0|2,0,1]=4 15 B7R1.1 BrC[C@H]1CCCO1 2H10-9-R1 [0,0,0,1,0,0|1,0,1]=3 16 B7R1.1 FC[C@@H]1CCCN1 3H31-7-58 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.1 NC[C@H]1CCCN1 3H30-1-2R [0,0,0,1,0,0|2,0,1]=4 18 B7R1.2 N[C@@H]1CC[C@H](O)C1 4256-5-40 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-44 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.2 N[C@H]1CC[C@H](O)C1 4256-5-45 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.2 O[C@H]1CC[C@@H](O)C1 2204-1-0D [0,0,0,1,0,0|1,0,2]=4 22 B7R1.3 F[C@@H]1CCCNC1 3H31-7-R0 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.3 F[C@H]1CCCNC1 3H31-7-S0 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.3 OC1CCCNC1 4H56-1-909 [0,0,0,1,0,0|1,0,1]=3 25 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [0,0,0,1,0,0|1,0,1]=3 26 B7R1.4 N[C@@H]1COC[C@@H]1O 4H56-5-8A [0,0,0,1,0,0|2,0,1]=4 27 B7R1.4 N[C@@H]1COC[C@H]1O 4H56-5-8E [0,0,0,1,0,0|2,0,1]=4 28 B7R1.4 O=C1CCCC1Br 2215-9-00 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.4 O[C@@H]1CNC[C@H]1O 4H56-1-820 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.4 O[C@H]1COC[C@@H]1O 2H04-1-S1 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.22 NC(CO)C1CC1 4256-5-54 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.22 N[C@@H](CO)C1CC1 4256-5-R2 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.22 N[C@H](CO)C1CC1 4256-5-S2 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.25 N#CC1(N)CCC1 3237-5-01 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.25 NCC1(F)CCC1 3230-7-0F [0,0,0,1,0,0|2,0,1]=4 37 B7R1.25 OCC1(O)CCC1 2204-1-15 [0,0,0,1,0,0|1,0,1]=3 38 B7R1.25 OCC1(O)COC1 2H10-1-0D [0,0,0,1,0,0|2,0,1]=4 39 B4R0.2 C=CCNC 3331-1-01 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.3 CCC(F)C(=O)O 2121-3-0L [1,1,0,0,0,0|1,0,1]=4 41 B6R0.5 CC(C)(O)CCN 4130-1-X2 [1,1,0,0,0,0|1,0,1]=4 42 B6R0.6 CCNCCOC 4156-1-3Q [1,1,0,0,0,0|1,0,1]=4 43 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,2,0,0,0,0|2,0,0]=4 44 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [0,2,0,0,0,0|1,0,1]=4 45 B8R0.16 COC(CC(C)O)OC 2108-1-0B [0,2,0,0,0,0|1,0,1]=4 46 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [0,2,0,0,0,0|1,0,1]=4 47 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [0,2,0,0,0,0|1,0,1]=4 48 B8R0.6 N#CC(O)CCCCO 4137-1-11 [0,2,0,0,0,0|1,0,1]=4 49 B8R0.9 C=CC(=O)OCC(C)O 2124-1-02 [0,2,0,0,0,0|0,0,2]=4 50 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [1,0,0,1,0,0|1,0,1]=4 51 B6R1.5 C[C@H]1C[C@@H](N)C1 3230-5-Z1 [1,0,0,1,0,0|1,0,1]=4 52 B6R1.5 OC1CC(F)C1 2201-3-0D [1,0,0,1,0,0|1,0,1]=4 53 B6R1.5 OC1CC(O)C1 2204-1-0C [1,0,0,1,0,0|1,0,1]=4 54 B6R1.5 O[C@H]1C[C@H](F)C1 2202-3-E1 [1,0,0,1,0,0|1,0,1]=4 55 B6R1.11 CC(O)C1CO1 2109-1-08 [1,0,0,1,0,0|1,0,1]=4 56 B6R1.6 NNC1CCC1 3239-5-02 [1,0,0,1,0,0|2,0,0]=4 57 B6R1.6 O=CC1COC1 2H15-1-22 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.1 C=CC1COC(=O)C1 2H25-1-2G [0,1,0,1,0,0|1,0,1]=4 59 B8R1.4 C[C@@H]1C[C@H](O)CCN1 4H56-5-R7 [0,1,0,1,0,0|0,0,2]=4 60 B8R1.4 C[C@H]1C[C@@H](O)CCN1 4H56-5-1R [0,1,0,1,0,0|0,0,2]=4 61 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,1,0,1,0,0|1,0,1]=4 62 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,1,0,1,0,0|1,0,1]=4 63 B8R1.2 CC[C@@H]1CNCCO1 4H56-1-R50 [0,1,0,1,0,0|0,0,2]=4 64 B8R1.2 CC[C@H]1CNCCO1 4H56-1-S50 [0,1,0,1,0,0|0,0,2]=4 65 B8R1.2 COC1C=CCCC1 2407-1-00 [0,1,0,1,0,0|0,0,0]=2 66 B8R1.2 COC1CCCCC1 2207-1-07 [0,1,0,1,0,0|0,0,2]=4 67 B8R1.2 ClCC1CNCCO1 4H33-5-0R [0,1,0,1,0,0|1,0,1]=4 68 B8R1.2 NCC1COCCO1 4H30-1-D6 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.2 OCC1CCCNC1 4H56-1-910 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.2 OCC1CNCCO1 4H56-5-JJ [0,1,0,1,0,0|1,0,1]=4 71 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.5 CC1COCCC1=O 2H17-1-79 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.5 N[C@@H]1CCOC[C@H]1O 4H56-1-144 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.5 N[C@H]1CCOC[C@@H]1O 4H56-5-C4 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.5 O=C1CCOCC1Cl 2H17-5-24 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.5 O[C@@H]1CCNC[C@@H]1F 4H56-7-2G [0,1,0,1,0,0|1,0,1]=4 77 B8R1.5 O[C@H]1CCNC[C@@H]1F 4H56-7-2H [0,1,0,1,0,0|1,0,1]=4 78 B8R1.5 O[C@H]1CCNC[C@@H]1F 4H56-7-71 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.5 O[C@H]1CNCC[C@@H]1F 4H56-7-68 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.5 [C@@H]1(O)COCC[C@H]1N 4H56-5-9X [0,1,0,1,0,0|1,0,1]=4 81 B8R1.52 OC1(CF)CCNC1 4H56-7-70 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.52 OCC1(O)CCNC1 4H04-5-06 [0,1,0,1,0,0|1,0,1]=4 83 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 84 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [0,1,0,1,0,0|2,0,0]=4