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|3,0,0]=3 2 B7R0.3 COC(=O)C=CCBr BB_SC-05586 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 COC(=O)CCCCl BB_SC-07247 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.3 CO\C=C\C(=O)OC BB_NC-02027 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 NNC(=O)CCCO BB_SC-03913 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 C=CC(=O)OCC BB_SC-07096 [1,0,0,0,0,0|0,0,2]=3 7 B6R0.1 CCOC(=O)CBr BB_SC-06646 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.1 CCOC(=O)CCl BB_SC-06777 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.1 CCOC(=O)CS BB_SC-07162 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.1 CCOC(=O)NN BB_SC-07159 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 CNCC(=O)NC BB_NC-02631 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 COC(=O)CC#N BB_SC-06876 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 COC(=O)CCBr BB_SC-11223 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 COC(=O)CCN BB_NC-01738 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 C#CCOC(=O)Cl BB_SC-07232 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 CC(=O)CCCCl BB_SC-07709 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.4 CC(=O)NCCN BB_SC-10762 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CC(C)OCCCl BB_SC-03437 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 CCCCC(C)=O BB_SC-06917 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 NCCCC(=O)O BB_NC-02785 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.6 CCCCCCBr BB_SC-06675 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 CCCCCCI BB_SC-07033 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 CCCCCCN BB_SC-05552 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 CCCNCCC BB_SC-06961 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.6 CCOCCCN BB_SC-06885 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.6 NCCOCCO BB_SC-07134 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.1 CCOC(=O)CCCCl BB_SC-07192 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.1 CCOC(=O)\C=C\CBr BB_SC-05542 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.6 CCCCCC(=O)CC BB_SC-06904 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.6 COCCNC(=O)CN BB_SC-03476 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.8 CNCCC(=O)N(C)C BB_SC-05314 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.9 CC(C)CNC(=O)CN BB_SC-07829 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.11 CCCCC(C=O)CC BB_NC-02782 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.19 CCC(=O)CC(C)CC BB_SC-06894 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.1 O=C1NCC(CCl)O1 BB_SC-05415 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.2 BrCC1CCCCO1 BB_SC-05411 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.2 ClCC1CCCCO1 BB_SC-05541 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.3 O=C1CCC(=O)CC1 BB_SC-06510 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.5 CC1CCCCC1=O BB_SC-06869 [0,0,0,1,0,0|1,0,0]=2 46 B8R1.5 O=C1CCCCC1Cl BB_SC-05549 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.22 NC1=NCCCCC1 BB_SC-09557 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.22 O=C1CCCCCN1 BB_SC-06656 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.22 O=C1CCCCCO1 BB_SC-06787 [0,0,0,1,0,0|0,0,0]=1 50 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.50 O=C1COC(=O)C1Cl BB_SC-02413 [0,0,0,1,0,0|2,0,1]=4 52 B5R0.1 C=C(C)CCO BB_NC-02269 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 C=COC(C)=O BB_SC-12396 [2,0,0,0,0,0|0,0,2]=4 54 B5R0.1 CC(=O)CCO BB_SC-06926 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 CCCC(=O)Cl BB_SC-06847 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.1 CCCC(C)O BB_SC-07025 [2,0,0,0,0,0|0,0,2]=4 57 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 CCOC(=O)Cl BB_SC-07081 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.1 CNCC(=O)O BB_NC-02298 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 CNCC(N)=O BB_NC-02649 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.1 COCC(=O)Cl BB_SC-11218 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 CSCC(C)=O BB_SC-12665 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.1 NC(=O)CCCl BB_SC-07003 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 NCCC(=O)O BB_SC-12000 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 O=C(O)CCBr BB_SC-12703 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 O=C(O)CCCl BB_SC-06966 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.2 CCCCC=O BB_NC-02285 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.2 CCCCCN BB_SC-06799 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.2 CCNCCO BB_SC-07158 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.2 CCOCCBr BB_SC-07261 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.3 C=CC(=O)OC BB_SC-06906 [2,0,0,0,0,0|0,0,2]=4 74 B5R0.3 CCC(=O)CC BB_SC-06948 [2,0,0,0,0,0|0,0,0]=2 75 B5R0.3 CCC(=O)NO BB_SC-06499 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.3 CNC(=O)NC BB_SC-07191 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.3 COC(=O)CN BB_NC-03070 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.3 COC(=O)CO BB_SC-06427 [2,0,0,0,0,0|1,0,0]=3 79 B5R0.3 COC(=O)CS BB_SC-06606 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.3 COC(=O)NN BB_SC-07168 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.3 O=C(CCl)CCl BB_SC-08807 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [1,1,0,0,0,0|0,0,1]=3 86 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [1,1,0,0,0,0|0,0,1]=3 88 B7R0.5 CCOC(=O)C(F)F BB_SC-04011 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.5 CNCC(=O)N(C)C BB_SC-03467 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [1,1,0,0,0,0|0,0,0]=2 92 B7R0.7 CCCC(=O)CCC BB_SC-06946 [1,1,0,0,0,0|0,0,0]=2 93 B7R0.7 CCOC(=O)CC#N BB_SC-06620 [1,1,0,0,0,0|0,0,1]=3 94 B7R0.7 CCOC(=O)CNN BB_SC-02643 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.7 CCOC(C)OCC BB_SC-07086 [1,1,0,0,0,0|1,0,1]=4 96 B7R0.7 C\C=C\C(=O)OCC BB_NC-02193 [1,1,0,0,0,0|0,0,1]=3 97 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.4 CCCCCC(C)=O BB_SC-06722 [1,1,0,0,0,0|1,0,0]=3 99 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [1,1,0,0,0,0|1,0,0]=3 100 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [1,1,0,0,0,0|1,0,0]=3 105 B7R0.1 CCCCCCCI BB_SC-09408 [1,1,0,0,0,0|1,0,1]=4 106 B9R0.4 C=CCOC(=O)CC(C)=O BB_SC-06915 [0,2,0,0,0,0|0,0,2]=4 107 B9R0.4 CNCCC(=O)NC(C)C BB_SC-06034 [0,2,0,0,0,0|2,0,0]=4 108 B9R0.8 [C@H](N)(CCSC)C(=O)OC BB_NC-01736 [0,2,0,0,0,0|2,0,0]=4 109 B9R0.18 CCCCC(=O)CCCC BB_SC-00140 [0,2,0,0,0,0|1,0,0]=3 110 B9R0.35 CCOC(=O)C(=O)OCC BB_SC-06837 [0,2,0,0,0,0|2,0,0]=4 111 B9R0.48 CCOC(=O)CCC(C)=O BB_SC-06808 [0,2,0,0,0,0|1,0,1]=4 112 B9R0.23 COC(=O)[C@@H](N)CC(C)C BB_NC-01737 [0,2,0,0,0,0|2,0,0]=4 113 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC BB_NC-01741 [0,2,0,0,0,0|2,0,0]=4 114 B9R0.1 COC(=O)CCNC(C)C BB_SC-11685 [0,2,0,0,0,0|2,0,0]=4 115 B9R0.46 CCCCCCC(=O)OC BB_SC-07042 [0,2,0,0,0,0|2,0,0]=4 116 B9R0.47 C=C(C)C(=O)OCCCC BB_SC-07032 [0,2,0,0,0,0|0,0,1]=3 117 B9R0.7 C=C(C)C(=O)OCC(C)C BB_NC-00772 [0,2,0,0,0,0|0,0,1]=3 118 B9R0.13 CCCCC(CC)C(=O)Cl BB_SC-06840 [0,2,0,0,0,0|1,0,1]=4 119 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [1,0,0,1,0,0|0,0,0]=2 120 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [1,0,0,1,0,0|1,0,0]=3 121 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [1,0,0,1,0,0|1,0,1]=4 122 B7R1.3 NN1CCCCC1 BB_SC-04637 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [1,0,0,1,0,0|0,0,2]=4 124 B7R1.3 O=C1CCCCN1 BB_SC-06941 [1,0,0,1,0,0|1,0,0]=3 125 B7R1.3 O=C1CCNCC1 BB_SC-06576 [1,0,0,1,0,0|1,0,0]=3 126 B7R1.3 O=C1CCOCC1 BB_SC-11189 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.3 O=C1CCSCC1 BB_SC-06397 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.3 O=C1CNCCN1 BB_SC-04934 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.3 OC1CCCCC1 BB_SC-07055 [1,0,0,1,0,0|0,0,2]=4 130 B7R1.4 NC1CCOC1=O BB_NC-01193 [1,0,0,1,0,0|1,0,0]=3 131 B7R1.4 NC1CCSC1=O BB_SC-05358 [1,0,0,1,0,0|1,1,0]=4 132 B7R1.4 O=C1OCCC1Br BB_SC-08882 [1,0,0,1,0,0|1,0,0]=3 133 B7R1.14 O=S1(=O)CCCO1 BB_SC-12403 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.24 C1CCCNCC1 BB_SC-12394 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.8 NCCC1=CCCCC1 BB_SC-09389 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.15 O=CC1CCCCC1=O BB_SC-11422 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.33 NCCN1CCCC1=O BB_SC-10498 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.33 O=C1CCCN1CCCl BB_SC-05470 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.50 O=C1CCCCCCC1 BB_SC-06800 [0,1,0,1,0,0|1,0,0]=3 141 B9R1.5 O=C1NCCCCC1Br BB_SC-09874 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.11 CNC(=O)[C@@H]1CCCN1 BB_NC-02418 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.11 COC(=O)[C@@H]1CCCN1 BB_NC-02036 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.11 NCC(=O)N1CCCC1 BB_SC-09765 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.11 NNC(=O)C1CCCO1 BB_SC-06202 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.1 CCN1CCC(=O)CC1 BB_SC-06999 [0,1,0,1,0,0|1,0,0]=3 147 B9R1.40 CC1(C)NCCNC1=O BB_SC-07303 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.138 CC1(C)COC(=O)C1O BB_NC-00082 [0,1,0,1,0,0|1,0,0]=3