0 B7R0.7 CCCC(=O)CCC BB_SC-06946 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.7 CCOC(=O)CC#N BB_SC-06620 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 CCOC(=O)CNN BB_SC-02643 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.7 CCOC(C)OCC BB_SC-07086 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.7 C\C=C\C(=O)OCC BB_NC-02193 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.1 C=CC(=O)OCC BB_SC-07096 [1,0,0,0,0,0|0,0,2]=3 6 B6R0.1 CCOC(=O)CBr BB_SC-06646 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.1 CCOC(=O)CCl BB_SC-06777 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.1 CCOC(=O)CS BB_SC-07162 [1,0,0,0,0,0|0,0,0]=1 9 B6R0.1 CCOC(=O)NN BB_SC-07159 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CNCC(=O)NC BB_NC-02631 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 COC(=O)CC#N BB_SC-06876 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 COC(=O)CCBr BB_SC-11223 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 COC(=O)CCN BB_NC-01738 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.6 CCCNCCC BB_SC-06961 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.6 CCOCCCN BB_SC-06885 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.1 CCOC(=O)CCCCl BB_SC-07192 [0,1,0,0,0,0|1,0,0]=2 17 B8R0.1 CCOC(=O)CN=C=O BB_SC-09382 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.1 CCOC(=O)\C=C\CBr BB_SC-05542 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.3 CCOC(=O)C(Br)CBr BB_SC-07193 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.3 CCOC(=O)\C(Cl)=N\O BB_SC-03909 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.3 [C@H](N)(CS)C(=O)OCC BB_NC-02280 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.5 CC(C)OC(=O)CC#N BB_SC-06927 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.5 CCOC(=O)C[N+](=O)[O-] BB_SC-06243 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.4 CC1CNCC(C)O1 BB_SC-12705 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.22 NC1=NCCCCC1 BB_SC-09557 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.22 O=C1CCCCCN1 BB_SC-06656 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.22 O=C1CCCCCO1 BB_SC-06787 [0,0,0,1,0,0|1,0,0]=2 32 B5R0.1 C=COC(C)=O BB_SC-12396 [2,0,0,0,0,0|0,0,2]=4 33 B5R0.1 CC(=O)CCO BB_SC-06926 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 CCCC(=O)Cl BB_SC-06847 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 CCOC(=O)Cl BB_SC-07081 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.1 CNCC(=O)O BB_NC-02298 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.1 CNCC(N)=O BB_NC-02649 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 COCC(=O)Cl BB_SC-11218 [2,0,0,0,0,0|1,1,0]=4 39 B5R0.1 CSCC(C)=O BB_SC-12665 [2,0,0,0,0,0|0,0,0]=2 40 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 N#CCC(=O)O BB_SC-07146 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 NCCC(=O)O BB_SC-12000 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 O=C(O)CCBr BB_SC-12703 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 O=C(O)CCCl BB_SC-06966 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 CCOCCBr BB_SC-07261 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.3 C=CC(=O)OC BB_SC-06906 [2,0,0,0,0,0|0,0,2]=4 47 B5R0.3 CCC(=O)CC BB_SC-06948 [2,0,0,0,0,0|0,0,0]=2 48 B5R0.3 CCC(=O)NO BB_SC-06499 [2,0,0,0,0,0|1,1,0]=4 49 B5R0.3 CNC(=O)NC BB_SC-07191 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 COC(=O)CN BB_NC-03070 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.3 COC(=O)CO BB_SC-06427 [2,0,0,0,0,0|0,1,0]=3 52 B5R0.3 COC(=O)CS BB_SC-06606 [2,0,0,0,0,0|0,0,0]=2 53 B5R0.3 COC(=O)NN BB_SC-07168 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.3 O=C(CCl)CCl BB_SC-08807 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.3 CCCCC(=O)CC BB_SC-07061 [1,1,0,0,0,0|1,0,0]=3 60 B7R0.3 COC(=O)C=CCBr BB_SC-05586 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.3 COC(=O)CCCCl BB_SC-07247 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.3 CO\C=C\C(=O)OC BB_NC-02027 [1,1,0,0,0,0|0,1,1]=4 63 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [1,1,0,0,0,0|0,0,1]=3 64 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [1,1,0,0,0,0|0,1,1]=4 65 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [1,1,0,0,0,0|0,0,1]=3 66 B7R0.5 CCOC(=O)C(F)F BB_SC-04011 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [1,1,0,0,0,0|0,1,1]=4 68 B7R0.5 CNCC(=O)N(C)C BB_SC-03467 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [1,1,0,0,0,0|0,0,0]=2 70 B7R0.10 COC(=O)C(=O)OC BB_SC-07155 [1,1,0,0,0,0|0,1,1]=4 71 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [1,1,0,0,0,0|2,0,0]=4 72 B9R0.4 C=CCOC(=O)CC(C)=O BB_SC-06915 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.4 CNCCC(=O)NC(C)C BB_SC-06034 [0,2,0,0,0,0|2,0,0]=4 74 B9R0.18 CCCCC(=O)CCCC BB_SC-00140 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.34 CCOC(=O)CC(=O)CCl BB_SC-06776 [0,2,0,0,0,0|1,0,0]=3 76 B9R0.35 CCOC(=O)C(=O)OCC BB_SC-06837 [0,2,0,0,0,0|0,1,1]=4 77 B9R0.48 CCOC(=O)CCC(C)=O BB_SC-06808 [0,2,0,0,0,0|1,0,0]=3 78 B9R0.53 CC(=O)CC(=O)OC(C)C BB_SC-06951 [0,2,0,0,0,0|1,0,0]=3 79 B9R0.53 CC(C)CC(=O)CC(C)C BB_SC-06805 [0,2,0,0,0,0|2,0,0]=4 80 B9R0.58 CCOS(=O)(=O)CC(C)C BB_SC-12387 [0,2,0,0,0,0|2,0,0]=4 81 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [1,0,0,1,0,0|0,0,0]=2 82 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [1,0,0,1,0,0|0,1,0]=3 83 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.3 O=C1CCCCN1 BB_SC-06941 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.3 O=C1CCNCC1 BB_SC-06576 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.3 O=C1CCOCC1 BB_SC-11189 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.3 O=C1CCSCC1 BB_SC-06397 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.3 O=C1CNCCN1 BB_SC-04934 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.4 NC1CCOC1=O BB_NC-01193 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.4 NC1CCSC1=O BB_SC-05358 [1,0,0,1,0,0|1,1,0]=4 92 B7R1.4 O=C1OCCC1Br BB_SC-08882 [1,0,0,1,0,0|1,0,0]=3 93 B9R1.27 CCN1C(=O)CSC1=S BB_SC-07221 [0,1,0,1,0,0|1,0,1]=4 94 B9R1.33 NCCN1CCCC1=O BB_SC-10498 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.33 O=C1CCCN1CCCl BB_SC-05470 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.50 O=C1CCCCCCC1 BB_SC-06800 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.5 O=C1NCCCCC1Br BB_SC-09874 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.34 CC1CC(=O)CC(=O)C1 BB_SC-12667 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.34 CC1CC(=O)OC(=O)C1 BB_SC-00219 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.41 CC(=O)C1CCOC1=O BB_NC-03242 [0,1,0,1,0,0|1,0,0]=3