0 B7R0.4 CCCCCC(C)=O BB_SC-06722 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 NCCCCC(=O)O BB_NC-02189 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.4 C#CCOC(=O)Cl BB_SC-07232 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.4 C=CCCC(=O)O BB_NC-02314 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 CC(=O)CCCCl BB_SC-07709 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.4 CC(=O)NCCN BB_SC-10762 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.4 CC(C)OCCCl BB_SC-03437 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.4 CCCCC(C)=O BB_SC-06917 [1,0,0,0,0,0|0,0,0]=1 12 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 CN(C)CCCCl BB_SC-05456 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.4 CN(C)CCCN BB_SC-06473 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 CN(C)CCCO BB_SC-06804 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.4 NCCCC(=O)O BB_NC-02785 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 CCCCCCBr BB_SC-06675 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 CCCCCCI BB_SC-07033 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 CCCCCCN BB_SC-05552 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.6 CCCCN=C=O BB_SC-06541 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.6 CCCCOC=O BB_SC-07045 [1,0,0,0,0,0|0,0,0]=1 23 B6R0.6 CCCNCCC BB_SC-06961 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.6 CCOCCCN BB_SC-06885 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.6 CCCCCC(=O)CC BB_SC-06904 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.6 COCCNC(=O)CN BB_SC-03476 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.7 CCCCCCC(C)=O BB_SC-06900 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.7 CCCS\C=C/C(=O)[O-] BB_SC-05438 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.7 O=C(O)CCCCCBr BB_SC-07210 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.8 CCCCC(Br)C(=O)O BB_SC-06728 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.8 CCCCC(N)C(=O)O BB_SC-08743 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.8 CSCCC(N)C(=O)O BB_NC-01175 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.9 CC(C)OCC(O)CN BB_SC-00679 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.28 CC(=O)CCC=C(C)C BB_NC-00183 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.28 CC(C)CCOC(=S)[S-] BB_SC-06496 [0,1,0,0,0,0|1,1,0]=3 38 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.1 O=C1NCC(CCl)O1 BB_SC-05415 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.7 NC(=O)C1CCCN1 BB_NC-01913 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.7 S=C(S)N1CCCC1 BB_SC-07227 [0,0,0,1,0,0|2,1,0]=4 45 B8R1.7 S=C([S-])N1CCCC1 BB_SC-09424 [0,0,0,1,0,0|2,1,0]=4 46 B8R1.22 NC1=NCCCCC1 BB_SC-09557 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.22 O=C1CCCCCN1 BB_SC-06656 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.22 O=C1CCCCCO1 BB_SC-06787 [0,0,0,1,0,0|0,0,0]=1 49 B8R1.35 CC(C)OCC1CO1 BB_SC-05524 [0,0,0,1,0,0|2,0,1]=4 50 B5R0.1 C=C(C)CCO BB_NC-02269 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 C=COC(C)=O BB_SC-12396 [2,0,0,0,0,0|0,0,2]=4 52 B5R0.1 CC(=O)CCO BB_SC-06926 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 CCCC(=O)Cl BB_SC-06847 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 CCCC(C)O BB_SC-07025 [2,0,0,0,0,0|0,0,2]=4 55 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CCOC(=O)Cl BB_SC-07081 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.1 CNCC(=O)O BB_NC-02298 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 CNCC(N)=O BB_NC-02649 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 COCC(=O)Cl BB_SC-11218 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 CSCC(C)=O BB_SC-12665 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 NC(=O)CCCl BB_SC-07003 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 NCCC(=O)O BB_SC-12000 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.1 O=C(O)CCBr BB_SC-12703 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.1 O=C(O)CCCl BB_SC-06966 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.2 CCCCC=O BB_NC-02285 [2,0,0,0,0,0|0,0,0]=2 68 B5R0.2 CCCCCN BB_SC-06799 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.2 CCOCCBr BB_SC-07261 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.2 CNCCCN BB_SC-07066 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.2 COCCCN BB_SC-06753 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.3 CCCCC(=O)CC BB_SC-07061 [1,1,0,0,0,0|0,0,0]=2 74 B7R0.3 CCCCC(=O)NN BB_SC-00088 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.3 COC(=O)CCCCl BB_SC-07247 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.3 NNC(=O)CCCO BB_SC-03913 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [1,1,0,0,0,0|0,0,2]=4 79 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [1,1,0,0,0,0|0,0,1]=3 81 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [1,1,0,0,0,0|1,0,0]=3 82 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.1 C=CCCCCCC BB_SC-07258 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.1 CCCCCCCI BB_SC-09408 [1,1,0,0,0,0|1,0,1]=4 85 B7R0.7 CCOC(C)OCC BB_SC-07086 [1,1,0,0,0,0|1,0,1]=4 86 B9R0.1 COC(=O)CCNC(C)C BB_SC-11685 [0,2,0,0,0,0|2,0,0]=4 87 B9R0.8 [C@H](N)(CCSC)C(=O)OC BB_NC-01736 [0,2,0,0,0,0|2,0,0]=4 88 B9R0.46 CCCCCCC(=O)OC BB_SC-07042 [0,2,0,0,0,0|1,0,0]=3 89 B9R0.47 C=C(C)C(=O)OCCCC BB_SC-07032 [0,2,0,0,0,0|0,0,0]=2 90 B9R0.47 [C@@H](N)(CCCCN)C(=O)O BB_NC-02205 [0,2,0,0,0,0|2,0,0]=4 91 B9R0.47 [C@H](N)(CCNCC)C(=O)O BB_NC-01745 [0,2,0,0,0,0|2,0,0]=4 92 B9R0.2 CCCCCCCC(=O)Cl BB_SC-06812 [0,2,0,0,0,0|2,0,0]=4 93 B9R0.2 CCCCCCCC(C)=O BB_SC-06918 [0,2,0,0,0,0|1,0,0]=3 94 B9R0.48 CCOC(=O)CCC(C)=O BB_SC-06808 [0,2,0,0,0,0|1,0,1]=4 95 B9R0.13 CCCCC(CC)C(=O)Cl BB_SC-06840 [0,2,0,0,0,0|2,0,0]=4 96 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [1,0,0,1,0,0|1,0,1]=4 99 B7R1.3 NN1CCCCC1 BB_SC-04637 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [1,0,0,1,0,0|0,0,2]=4 101 B7R1.3 O=C1CCCCN1 BB_SC-06941 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.3 O=C1CCNCC1 BB_SC-06576 [1,0,0,1,0,0|1,0,0]=3 103 B7R1.3 O=C1CCOCC1 BB_SC-11189 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.3 O=C1CCSCC1 BB_SC-06397 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.3 O=C1CNCCN1 BB_SC-04934 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 OC1CCCCC1 BB_SC-07055 [1,0,0,1,0,0|0,0,2]=4 107 B7R1.7 CCCCC1CO1 BB_SC-05509 [1,0,0,1,0,0|0,0,2]=4 108 B7R1.14 O=S1(=O)CCCO1 BB_SC-12403 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.14 O=[S+]1([O-])CCCC1 BB_SC-06657 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.4 NC1CCOC1=O BB_NC-01193 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.4 NC1CCSC1=O BB_SC-05358 [1,0,0,1,0,0|1,1,0]=4 114 B7R1.4 O=C1OCCC1Br BB_SC-08882 [1,0,0,1,0,0|1,0,0]=3 115 B7R1.24 C1CCCNCC1 BB_SC-12394 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.13 O=C(O)CN1CCCC1 BB_SC-04947 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.34 CC1CC(=O)CC(=O)C1 BB_SC-12667 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.34 CC1CC(=O)OC(=O)C1 BB_SC-00219 [0,1,0,1,0,0|0,0,1]=3 119 B9R1.66 CC1(C)CC(=O)CCO1 BB_NC-00274 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.1 CCN1CCC(=O)CC1 BB_SC-06999 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.5 O=C1NCCCCC1Br BB_SC-09874 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.11 CNC(=O)[C@@H]1CCCN1 BB_NC-02418 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.11 COC(=O)[C@@H]1CCCN1 BB_NC-02036 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.11 NCC(=O)N1CCCC1 BB_SC-09765 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.50 O=C1CCCCCCC1 BB_SC-06800 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.89 BrCC1OCCCCO1 BB_SC-01174 [0,1,0,1,0,0|0,0,2]=4 127 B9R1.6 CC(=O)N1CCNCC1 BB_SC-04215 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.6 NC(=O)C1CCCCN1 BB_SC-07848 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.6 O=C(Cl)N1CCOCC1 BB_SC-06435 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.6 O=C(O)C1CCCCN1 BB_SC-11513 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.6 O=C(O)C1CCCNC1 BB_SC-07266 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.6 O=C(O)C1CCNCC1 BB_SC-06452 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.83 CCCCOCC1CO1 BB_SC-00249 [0,1,0,1,0,0|0,0,2]=4