0 B7R0.7 CCCC(=O)CCC BB_SC-06946 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.7 CCOC(=O)CC#N BB_SC-06620 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.7 CCOC(=O)CNN BB_SC-02643 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.7 CCOC(C)OCC BB_SC-07086 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.7 C\C=C\C(=O)OCC BB_NC-02193 [0,0,0,0,0,0|0,0,0]=0 5 B6R0.1 C=CC(=O)OCC BB_SC-07096 [1,0,0,0,0,0|0,0,0]=1 6 B6R0.1 CCOC(=O)CBr BB_SC-06646 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.1 CCOC(=O)CCl BB_SC-06777 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.1 CCOC(=O)CS BB_SC-07162 [1,0,0,0,0,0|1,0,1]=3 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|2,0,1]=4 11 B6R0.1 COC(=O)CC#N BB_SC-06876 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.1 COC(=O)CCBr BB_SC-11223 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.1 COC(=O)CCN BB_NC-01738 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.1 CCOC(=O)CCCCl BB_SC-07192 [0,1,0,0,0,0|0,0,2]=3 15 B8R0.1 CCOC(=O)CN=C=O BB_SC-09382 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.1 CCOC(=O)\C=C\CBr BB_SC-05542 [0,1,0,0,0,0|0,0,0]=1 17 B8R0.3 CCOC(=O)C(Br)CBr BB_SC-07193 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.3 CCOC(=O)\C(Cl)=N\O BB_SC-03909 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.3 [C@H](N)(CS)C(=O)OCC BB_NC-02280 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.5 CC(C)OC(=O)CC#N BB_SC-06927 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [0,1,0,0,0,0|0,0,1]=2 23 B8R0.5 CCOC(=O)C[N+](=O)[O-] BB_SC-06243 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.5 C\C(=C\C=O)CC(C)C BB_NC-01302 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.18 CC1=CC(=O)OC1=O BB_SC-06526 [0,0,0,1,0,0|1,0,1]=3 28 B8R1.18 CC1=CC(C)=NN1C BB_SC-04032 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.18 CC1=CC(N)=NN1C BB_SC-10134 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.22 O=C1CCCCCN1 BB_SC-06656 [0,0,0,1,0,0|1,0,2]=4 31 B8R1.22 O=C1CCCCCO1 BB_SC-06787 [0,0,0,1,0,0|0,0,2]=3 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|1,0,1]=4 37 B5R0.1 CSCC(C)=O BB_SC-12665 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [2,0,0,0,0,0|0,0,0]=2 40 B5R0.3 C=CC(=O)OC BB_SC-06906 [2,0,0,0,0,0|0,0,0]=2 41 B5R0.3 CCC(=O)CC BB_SC-06948 [2,0,0,0,0,0|0,0,1]=3 42 B5R0.3 CCC(=O)NO BB_SC-06499 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.3 CNC(=O)NC BB_SC-07191 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.3 COC(=O)CN BB_NC-03070 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.3 COC(=O)CO BB_SC-06427 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.3 COC(=O)CS BB_SC-06606 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.3 COC(=O)NN BB_SC-07168 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [1,1,0,0,0,0|0,0,1]=3 49 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [1,1,0,0,0,0|0,0,2]=4 50 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [1,1,0,0,0,0|0,0,0]=2 51 B7R0.3 CCCCC(=O)CC BB_SC-07061 [1,1,0,0,0,0|0,0,2]=4 52 B7R0.3 COC(=O)C=CCBr BB_SC-05586 [1,1,0,0,0,0|0,0,0]=2 53 B7R0.3 COC(=O)CCCCl BB_SC-07247 [1,1,0,0,0,0|0,0,2]=4 54 B7R0.3 CO\C=C\C(=O)OC BB_NC-02027 [1,1,0,0,0,0|0,0,0]=2 55 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [1,1,0,0,0,0|0,0,0]=2 56 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [1,1,0,0,0,0|0,0,0]=2 58 B7R0.5 CCOC(=O)C(F)F BB_SC-04011 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [1,1,0,0,0,0|1,0,0]=3 60 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [1,1,0,0,0,0|0,0,1]=3 61 B7R0.10 CNC(=O)C(=O)NC BB_SC-00324 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.10 COC(=O)C(=O)NN BB_SC-06265 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.10 COC(=O)C(=O)OC BB_SC-07155 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.4 C=CCOC(=O)CC(C)=O BB_SC-06915 [0,2,0,0,0,0|0,0,2]=4 66 B9R0.34 CCOC(=O)CC(=O)CCl BB_SC-06776 [0,2,0,0,0,0|0,0,1]=3 67 B9R0.35 CCOC(=O)C(=O)OCC BB_SC-06837 [0,2,0,0,0,0|0,0,1]=3 68 B9R0.48 CCOC(=O)CCC(C)=O BB_SC-06808 [0,2,0,0,0,0|0,0,1]=3 69 B9R0.37 CCOC(=O)\C(C#N)=N/O BB_SC-11578 [0,2,0,0,0,0|1,0,1]=4 70 B9R0.53 CC(=O)CC(=O)OC(C)C BB_SC-06951 [0,2,0,0,0,0|0,0,1]=3 71 B7R1.2 CC1=NOC(N)=C1 BB_SC-03667 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [1,0,0,1,0,0|0,0,1]=3 73 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.2 NC1=CC(=O)CC1 BB_SC-06410 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.2 O=C1C=C(Cl)CC1 BB_SC-06411 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [1,0,0,1,0,0|0,0,0]=2 80 B7R1.3 O=C1CCCCN1 BB_SC-06941 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.4 NC1CCOC1=O BB_NC-01193 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.4 O=C1OCCC1Br BB_SC-08882 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.24 C1=CCOCOC1 BB_SC-05392 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.8 CCOC1CCC=CO1 BB_SC-05427 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.22 CCN1N=C(C)C=C1C BB_SC-03745 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.22 CCN1N=C(N)C=C1C BB_SC-03664 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.37 O=C1OC(O)C(Br)=C1Br BB_SC-02591 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.37 O=C1OC(O)C(Cl)=C1Cl BB_SC-00126 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.34 CC1=CC(O)=CC(=O)O1 BB_NC-02010 [0,1,0,1,0,0|0,0,2]=4 90 B9R1.34 CC1CC(=O)CC(=O)C1 BB_SC-12667 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.34 CC1CC(=O)OC(=O)C1 BB_SC-00219 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.41 CC(=O)C1CCOC1=O BB_NC-03242 [0,1,0,1,0,0|0,0,1]=3