0 B5R0.2 C#CCCCBr BB31-4992 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C#CCN=C=O BB58-0507 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C=CCCCI BB31-6966 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.2 C=CCCCN BB31-4446 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.2 CCSCCN BB31-5588 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 N#CCCCN BB32-0548 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.2 OCCCCI BB32-2029 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.2 C=CCCI BB31-6880 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.2 NCCON BB32-1546 [1,0,0,0,0,0|2,1,0]=4 9 B6R0.1 C=CC(O)CC#N BB32-1252 [0,1,0,0,0,0|3,0,0]=4 10 B6R0.1 CCC(O)CC#N BB31-2014 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.1 CN(C=O)CCO BB31-3078 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.4 CC(=O)CCCBr BB31-6000 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.4 CCCCC(=N)N BB31-8730 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.4 COCCC(=N)N BB31-7023 [0,1,0,0,0,0|1,1,0]=3 15 B6R0.4 COCOC(C)=O BB32-2824 [0,1,0,0,0,0|1,1,0]=3 16 B6R0.4 NCCNC(N)=O BB32-3910 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.6 C#CCCCCN BB31-0286 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.6 CNCCCCCl BB31-7841 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.6 N#CCCCCN BB32-3572 [0,1,0,0,0,0|2,0,1]=4 21 B6R1.1 C1=NCCCN1 BB31-3113 [0,0,0,1,0,0|3,0,0]=4 22 B6R1.1 C1CCONC1 BB31-4954 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.1 C1CNCOC1 BB31-2552 [0,0,0,1,0,0|1,0,2]=4 24 B6R1.2 BrC1CCSC1 BB52-7755 [0,0,0,1,0,0|1,0,1]=3 25 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.2 C[C@H]1CCNC1 BB31-5082 [0,0,0,1,0,0|2,0,1]=4 27 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [0,0,0,1,0,0|2,0,1]=4 28 B6R1.2 NC1CCSC1 BB52-7752 [0,0,0,1,0,0|1,0,1]=3 29 B6R1.2 O=C1C=CCS1 BB32-1702 [0,0,0,1,0,0|2,0,1]=4 30 B6R1.2 OC1CCSC1 BB52-7751 [0,0,0,1,0,0|0,0,2]=3 31 B6R1.3 BrCCC1CC1 BB31-5305 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.3 ICCC1CC1 BB32-1715 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.3 NNCC1CC1 BB31-6121 [0,0,0,1,0,0|3,0,0]=4 34 B6R1.3 NNCC1CC1 BB31-9304 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.3 NOCC1CC1 BB31-6884 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.3 OCC[C@@H]1CO1 BB31-6861 [0,0,0,1,0,0|0,1,2]=4 37 B6R1.6 BrCC1COC1 BB31-2069 [0,0,0,1,0,0|1,1,1]=4 38 B6R1.6 CNC1CCC1 BB31-5108 [0,0,0,1,0,0|2,0,1]=4 39 B6R1.6 COC1CNC1 BB51-2847 [0,0,0,1,0,0|2,1,0]=4 40 B6R1.6 CSC1CNC1 BB31-2729 [0,0,0,1,0,0|2,0,0]=3 41 B6R1.6 N#CC1COC1 BB31-5311 [0,0,0,1,0,0|1,1,1]=4 42 B6R1.6 NNC1CCC1 BB31-0660 [0,0,0,1,0,0|3,0,0]=4 43 B6R1.6 O=CC1COC1 BB31-1651 [0,0,0,1,0,0|0,1,0]=2 44 B5R0.1 CC(=O)CCBr BB31-4479 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.1 CC(O)CCBr BB32-3029 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.1 CNCC(F)F BB31-9778 [1,1,0,0,0,0|2,0,0]=4 47 B5R0.1 COCC(C)Br BB31-8127 [1,1,0,0,0,0|0,1,1]=4 48 B5R0.1 COCC(N)=O BB31-3207 [1,1,0,0,0,0|0,1,0]=3 49 B5R0.1 C[C@H](N)CC#N BB31-5263 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.1 O=C(O)CCF BB32-2513 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.3 C=C[C@H](N)CO BB32-0951 [1,1,0,0,0,0|1,1,0]=4 52 B5R0.3 CO[C@@H](C)CO BB31-0453 [1,1,0,0,0,0|0,1,1]=4 53 B5R0.3 O=C[C@H](O)CO BB31-6122 [1,1,0,0,0,0|0,1,0]=3 54 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,2,0,0,0,0|1,0,0]=3 55 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,2,0,0,0,0|1,0,0]=3 56 B7R0.5 CC(CCO)C(N)=O BB31-7816 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.5 NCCC(F)C(=O)O BB31-4428 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.4 COCCNC(N)=S BB31-0310 [0,2,0,0,0,0|0,2,0]=4 59 B7R0.4 N#CCCCC(=O)O BB31-7795 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.4 NC(=O)CCCCO BB31-4574 [0,2,0,0,0,0|1,0,0]=3 61 B7R0.4 O=C([O-])COCCO BB31-2744 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,2,0,0,0,0|1,0,0]=3 65 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.1 O=CNCCNC=O BB31-6256 [0,2,0,0,0,0|1,0,1]=4 67 B5R1.1 C1CNNC1 BB31-6290 [1,0,0,1,0,0|2,0,0]=4 68 B5R1.1 C1CNOC1 BB31-7828 [1,0,0,1,0,0|1,0,1]=4 69 B5R1.2 BrC1CNC1 BB31-5774 [1,0,0,1,0,0|2,0,0]=4 70 B5R1.2 CC1CCN1 BB31-0642 [1,0,0,1,0,0|1,0,1]=4 71 B5R1.2 ClC1CNC1 BB31-7993 [1,0,0,1,0,0|2,0,0]=4 72 B5R1.2 NC1CSC1 BB31-1853 [1,0,0,1,0,0|1,0,0]=3 73 B5R1.2 SC1CNC1 BB31-3722 [1,0,0,1,0,0|1,1,0]=4 74 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,1,0,1,0,0|1,0,0]=3 75 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,1,0,1,0,0|1,0,0]=3 76 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,1,0,1,0,0|1,0,0]=3 80 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.2 O=C1CSC(=S)N1 BB52-8577 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.3 CC1=CCNCC1 BB31-4858 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.3 CN1CC=CCC1 BB31-7198 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.3 O=C1C=CCCN1 BB32-3139 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.3 O=C1CNCCO1 BB32-2655 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.3 O=S1CCNCC1 BB32-3985 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.3 OC1CC=CCC1 BB31-4823 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.3 S=C1CCCCN1 BB31-1665 [0,1,0,1,0,0|1,1,0]=4 89 B7R1.4 NC1CCNC1=O BB31-0754 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.4 NC1CCOC1=O BB52-6516 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.6 C=CCC1CNC1 BB31-3197 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.10 COC1CC(=O)C1 BB31-4629 [0,1,0,1,0,0|0,1,0]=3 93 B7R1.10 NCC1CC(=O)C1 BB31-2692 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.25 C=CC1(O)COC1 BB31-8834 [0,1,0,1,0,0|1,1,0]=4 97 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,1,0,1,0,0|1,0,0]=3 98 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,1,0,1,0,0|1,0,0]=3 99 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.18 CC(=O)N1CCC1 BB32-2755 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.18 N=C(N)C1CCC1 BB31-6957 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.18 NC(=O)C1CNC1 BB31-1092 [0,1,0,1,0,0|1,0,0]=3 103 B7R1.18 NC(=S)C1CCC1 BB31-2990 [0,1,0,1,0,0|1,1,0]=4 104 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,1,0,1,0,0|0,1,0]=3