0 B7R0.3 CCCCC(=O)CC BB_SC-07061 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.3 CCCCC(=O)NN BB_SC-00088 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.3 CNCC\C(N)=N\O BB_SC-11523 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.3 COC(=O)C=CCBr BB_SC-05586 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.3 COC(=O)CCCCl BB_SC-07247 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.3 COCC\C(N)=N\O BB_SC-12262 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.3 CO\C=C\C(=O)OC BB_NC-02027 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.3 NNC(=O)CCCO BB_SC-03913 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 C=CC(=O)OCC BB_SC-07096 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCOC(=O)CBr BB_SC-06646 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 CCOC(=O)CCl BB_SC-06777 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 CCOC(=O)CS BB_SC-07162 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CCOC(=O)NN BB_SC-07159 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CNCC(=O)NC BB_NC-02631 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 COC(=O)CC#N BB_SC-06876 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.1 COC(=O)CCBr BB_SC-11223 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.1 COC(=O)CCN BB_NC-01738 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.4 C=CCCC(=O)O BB_NC-02314 [1,0,0,0,0,0|0,0,2]=3 18 B6R0.4 CC(=O)CCCCl BB_SC-07709 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.4 CC(=O)NCCN BB_SC-10762 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 CCCCC(C)=O BB_SC-06917 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.4 CN(C)CCCCl BB_SC-05456 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 CN(C)CCCN BB_SC-06473 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 CN(C)CCCO BB_SC-06804 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 NCCCC(=O)O BB_NC-02785 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.6 CCCCCCBr BB_SC-06675 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 CCCCCCI BB_SC-07033 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.6 CCCCCCN BB_SC-05552 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 CCCCN=C=O BB_SC-06541 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.6 CCCCOC=O BB_SC-07045 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.6 CCCNCCC BB_SC-06961 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.6 CCOCCCN BB_SC-06885 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.1 CCOC(=O)CCCCl BB_SC-07192 [0,1,0,0,0,0|1,0,0]=2 36 B8R0.1 CCOC(=O)CN=C=O BB_SC-09382 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.1 CCOC(=O)\C=C\CBr BB_SC-05542 [0,1,0,0,0,0|1,0,2]=4 38 B8R0.6 CCCCCC(=O)CC BB_SC-06904 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.6 COC(=O)CCN=C=O BB_NC-02138 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.6 COCCNC(=O)CN BB_SC-03476 [0,1,0,0,0,0|3,0,0]=4 41 B8R0.8 CNCCC(=O)N(C)C BB_SC-05314 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.9 CC(C)CNC(=O)CN BB_SC-07829 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,1,0,0,0,0|0,0,1]=2 44 B8R0.11 CCCCC(C=O)CC BB_NC-02782 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.19 CCC(=O)CC(C)CC BB_SC-06894 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.19 COC(=O)CC(=O)CCl BB_SC-11229 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.19 COC(=O)CC(=O)OC BB_SC-06935 [0,1,0,0,0,0|1,0,1]=3 48 B8R1.1 O=C1NCC(CCl)O1 BB_SC-05415 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.2 CNC1CCCCC1 BB_SC-06964 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [0,0,0,1,0,0|1,0,0]=2 51 B8R1.3 O=C1CCC(=O)CC1 BB_SC-06510 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.5 CC1CCCCC1=O BB_SC-06869 [0,0,0,1,0,0|1,0,0]=2 53 B8R1.5 O=C1CCCCC1Cl BB_SC-05549 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.22 NC1=NCCCCC1 BB_SC-09557 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.22 O=C1CCCCCN1 BB_SC-06656 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.22 O=C1CCCCCO1 BB_SC-06787 [0,0,0,1,0,0|0,0,0]=1 57 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [0,0,0,1,0,0|2,0,0]=3 58 B5R0.1 C=C(C)CCO BB_NC-02269 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 CC(=O)CCO BB_SC-06926 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.1 CCCC(=O)Cl BB_SC-06847 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 CCCC(C)O BB_SC-07025 [2,0,0,0,0,0|0,0,2]=4 62 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 CCOC(=O)Cl BB_SC-07081 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 CNCC(=O)O BB_NC-02298 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.1 CNCC(N)=O BB_NC-02649 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.1 COCC(=O)Cl BB_SC-11218 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 CSCC(C)=O BB_SC-12665 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [2,0,0,0,0,0|0,0,2]=4 69 B5R0.1 N#CCC(=O)O BB_SC-07146 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.1 NC(=O)CCCl BB_SC-07003 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.1 NCCC(=O)O BB_SC-12000 [2,0,0,0,0,0|1,0,0]=3 72 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.1 O=C(O)CCBr BB_SC-12703 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.1 O=C(O)CCCl BB_SC-06966 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.2 CCCCC=O BB_NC-02285 [2,0,0,0,0,0|0,0,0]=2 77 B5R0.2 CCCCCN BB_SC-06799 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.2 CCNCCO BB_SC-07158 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.2 CNCCCN BB_SC-07066 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.2 COCCCN BB_SC-06753 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.3 C=CC(=O)OC BB_SC-06906 [2,0,0,0,0,0|0,0,2]=4 82 B5R0.3 CCC(=O)CC BB_SC-06948 [2,0,0,0,0,0|1,0,0]=3 83 B5R0.3 CCC(=O)NO BB_SC-06499 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.3 CNC(=O)NC BB_SC-07191 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.3 COC(=O)CN BB_NC-03070 [2,0,0,0,0,0|1,0,0]=3 86 B5R0.3 COC(=O)CO BB_SC-06427 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.3 COC(=O)CS BB_SC-06606 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.3 COC(=O)NN BB_SC-07168 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [1,1,0,0,0,0|0,0,1]=3 90 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [1,1,0,0,0,0|0,0,0]=2 91 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [1,1,0,0,0,0|0,0,2]=4 92 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.5 CNCC(=O)N(C)C BB_SC-03467 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.7 CCCC(=O)CCC BB_SC-06946 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.7 CCOC(=O)CC#N BB_SC-06620 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.7 CCOC(=O)CNN BB_SC-02643 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.7 C\C=C\C(=O)OCC BB_NC-02193 [1,1,0,0,0,0|0,0,2]=4 100 B7R0.10 COC(=O)C(=O)OC BB_SC-07155 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [1,1,0,0,0,0|1,0,0]=3 102 B7R0.4 CCCCCC(C)=O BB_SC-06722 [1,1,0,0,0,0|0,0,0]=2 103 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [1,1,0,0,0,0|1,0,0]=3 104 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [1,1,0,0,0,0|0,0,1]=3 105 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,1,0,0,0,0|0,0,0]=2 106 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [1,1,0,0,0,0|0,0,2]=4 107 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [1,1,0,0,0,0|0,0,1]=3 108 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [1,1,0,0,0,0|0,0,1]=3 109 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.1 CCCCCCCI BB_SC-09408 [1,1,0,0,0,0|1,0,1]=4 112 B9R0.4 CNCCC(=O)NC(C)C BB_SC-06034 [0,2,0,0,0,0|2,0,0]=4 113 B9R0.8 [C@H](N)(CCSC)C(=O)OC BB_NC-01736 [0,2,0,0,0,0|0,0,0]=2 114 B9R0.18 CCCCC(=O)CCCC BB_SC-00140 [0,2,0,0,0,0|1,0,0]=3 115 B9R0.34 CCOC(=O)CC(=O)CCl BB_SC-06776 [0,2,0,0,0,0|1,0,1]=4 116 B9R0.34 COCC(=O)CC(=O)OC BB_SC-05537 [0,2,0,0,0,0|0,0,1]=3 117 B9R0.35 CCOC(=O)C(=O)OCC BB_SC-06837 [0,2,0,0,0,0|1,0,1]=4 118 B9R0.48 CCOC(=O)CCC(C)=O BB_SC-06808 [0,2,0,0,0,0|0,0,1]=3 119 B9R0.23 COC(=O)C(=O)CC(C)=O BB_SC-01708 [0,2,0,0,0,0|0,0,2]=4 120 B9R0.23 COC(=O)[C@@H](N)CC(C)C BB_NC-01737 [0,2,0,0,0,0|0,0,0]=2 121 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC BB_NC-01741 [0,2,0,0,0,0|0,0,0]=2 122 B9R0.27 COC(=O)C(Cl)C(=O)OC BB_SC-07226 [0,2,0,0,0,0|1,0,1]=4 123 B9R0.1 COC(=O)CCNC(C)C BB_SC-11685 [0,2,0,0,0,0|0,0,0]=2 124 B9R0.46 CCCCCCC(=O)OC BB_SC-07042 [0,2,0,0,0,0|0,0,0]=2 125 B9R0.47 C=C(C)C(=O)OCCCC BB_SC-07032 [0,2,0,0,0,0|1,0,0]=3 126 B9R0.7 C=C(C)C(=O)OCC(C)C BB_NC-00772 [0,2,0,0,0,0|2,0,0]=4 127 B9R0.13 CCCCC(CC)C(=O)Cl BB_SC-06840 [0,2,0,0,0,0|1,0,1]=4 128 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [1,0,0,1,0,0|1,0,0]=3 130 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.3 O=C1CCCCN1 BB_SC-06941 [1,0,0,1,0,0|1,0,0]=3 132 B7R1.3 O=C1CCNCC1 BB_SC-06576 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.3 O=C1CCOCC1 BB_SC-11189 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.3 O=C1CCSCC1 BB_SC-06397 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.3 O=C1CNCCN1 BB_SC-04934 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.7 CCCCC1CO1 BB_SC-05509 [1,0,0,1,0,0|0,0,2]=4 137 B7R1.14 O=[S+]1([O-])CCCC1 BB_SC-06657 [1,0,0,1,0,0|1,0,1]=4 138 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [1,0,0,1,0,0|0,0,0]=2 139 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [1,0,0,1,0,0|1,0,0]=3 140 B7R1.24 C1CCCNCC1 BB_SC-12394 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.8 NCCC1=CCCCC1 BB_SC-09389 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.15 O=CC1CCCCC1=O BB_SC-11422 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.50 O=C1CCCCCCC1 BB_SC-06800 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.5 O=C1NCCCCC1Br BB_SC-09874 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.11 CNC(=O)[C@@H]1CCCN1 BB_NC-02418 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.11 COC(=O)[C@@H]1CCCN1 BB_NC-02036 [0,1,0,1,0,0|0,0,0]=2 147 B9R1.11 NCC(=O)N1CCCC1 BB_SC-09765 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.11 NNC(=O)C1CCCO1 BB_SC-06202 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.1 CCN1CCC(=O)CC1 BB_SC-06999 [0,1,0,1,0,0|1,0,0]=3 150 B9R1.21 C1(OC)CCC(OC)O1 BB_SC-06749 [0,1,0,1,0,0|0,0,2]=4