0 B7R1.2 CC1=NNC(=O)C1 BB_SC-06921 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,0,0,0,0,0|1,0,1]=2 2 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.2 NC1=CC(=O)CC1 BB_SC-06410 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.2 NC1=NNC(=O)C1 BB_SC-09099 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 O=C1C=C(Cl)CC1 BB_SC-06411 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.2 O=C1CNC(=O)N1 BB_NC-02287 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.2 O=C1CNC(=S)N1 BB_SC-12671 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.2 O=C1CNC(=S)S1 BB_SC-06897 [0,0,0,0,0,0|1,2,0]=3 12 B7R1.2 O=C1CSC(=O)N1 BB_SC-06863 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.2 O=C1CSC(=S)N1 BB_SC-12361 [0,0,0,0,0,0|2,1,0]=3 14 B7R1.2 O=C1NN=C(Cl)N1 BB_SC-08396 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 NC1=NCCC1 BB_SC-10415 [1,0,0,0,0,0|2,0,1]=4 16 B6R1.2 O=C1CCCC1 BB_SC-09627 [1,0,0,0,0,0|1,0,1]=3 17 B6R1.2 O=C1CCSC1 BB_SC-08806 [1,0,0,0,0,0|2,0,0]=3 18 B6R1.2 O=C1NCCO1 BB_SC-06954 [1,0,0,0,0,0|1,0,1]=3 19 B6R1.2 O=C1OC=CO1 BB_SC-06550 [1,0,0,0,0,0|1,0,1]=3 20 B6R1.2 O=C1OCCO1 BB_SC-06807 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.1 CC1=CC=C(C=O)O1 BB_SC-08898 [0,1,0,0,0,0|1,0,2]=4 22 B8R1.1 O=C1NCC(CCl)O1 BB_SC-05415 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.18 CC1=CC(=O)OC1=O BB_SC-06526 [0,1,0,0,0,0|0,0,2]=3 24 B8R1.18 CN1CC(=O)NC1=N BB_NC-00783 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.18 CN1CC(=O)NC1=O BB_NC-02021 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [0,1,0,0,0,0|2,0,1]=4 27 B8R1.50 NN1C(=O)CSC1=S BB_SC-12700 [0,1,0,0,0,0|2,1,0]=4 28 B8R1.50 O=C1CCC(=O)N1Br BB_SC-07072 [0,1,0,0,0,0|1,0,0]=2 29 B8R1.50 O=C1CCC(=O)N1Cl BB_SC-07097 [0,1,0,0,0,0|1,0,0]=2 30 B8R1.50 O=C1COC(=O)C1Cl BB_SC-02413 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.50 O=C1OCC(O)=C1Br BB_SC-05637 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,0,1,0,0,0|2,0,1]=4 33 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,0,1,0,0,0|2,0,1]=4 34 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,0,1,0,0,0|2,0,1]=4 35 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,0,1,0,0,0|2,0,0]=3 36 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,0,1,0,0,0|2,0,1]=4 37 B6R0.2 CC(=O)NC(N)=S BB_SC-06851 [0,0,1,0,0,0|2,1,0]=4 38 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,0,1,0,0,0|3,0,0]=4 39 B6R0.2 NC(=O)NC(N)=O BB_SC-00442 [0,0,1,0,0,0|3,0,0]=4 40 B6R0.4 C=CCCC(=O)O BB_NC-02314 [0,0,1,0,0,0|1,0,0]=2 41 B6R0.4 C=CCNC(N)=O BB_SC-06494 [0,0,1,0,0,0|3,0,0]=4 42 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [0,0,1,0,0,0|3,0,0]=4 43 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,0,1,0,0,0|2,0,1]=4 44 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [0,0,1,0,0,0|2,0,1]=4 45 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,0,1,0,0,0|2,0,1]=4 46 B6R0.4 NCCCC(=O)O BB_NC-02785 [0,0,1,0,0,0|1,0,1]=3 47 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [0,0,1,0,0,0|2,0,1]=4 48 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [0,0,0,0,0,1|2,0,1]=4 49 B8R1.3 O=C1C=CC(=O)C=C1 BB_NC-02313 [0,0,0,0,0,1|1,0,2]=4 50 B8R1.3 O=C1CCC(=O)CC1 BB_SC-06510 [0,0,0,0,0,1|1,0,0]=2 51 B8R1.3 O=C1CNC(=O)CN1 BB_NC-00669 [0,0,0,0,0,1|2,0,0]=3 52 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [0,0,0,0,0,1|2,0,1]=4 53 B8R1.4 O=C1C=CNC(=O)N1 BB_NC-02210 [0,0,0,0,0,1|1,0,2]=4 54 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [0,0,0,0,0,1|1,0,0]=2 55 B5R0.1 C=COC(C)=O BB_SC-12396 [1,0,1,0,0,0|0,0,1]=3 56 B5R0.1 CC(=O)CCO BB_SC-06926 [1,0,1,0,0,0|1,0,1]=4 57 B5R0.1 CCCC(=O)Cl BB_SC-06847 [1,0,1,0,0,0|1,0,1]=4 58 B5R0.1 CCOC(=O)Cl BB_SC-07081 [1,0,1,0,0,0|1,0,1]=4 59 B5R0.1 CNCC(=O)O BB_NC-02298 [1,0,1,0,0,0|1,0,1]=4 60 B5R0.1 CSCC(C)=O BB_SC-12665 [1,0,1,0,0,0|2,0,0]=4 61 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [1,0,1,0,0,0|2,0,0]=4 62 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,0,1,0,0,0|1,0,1]=4 63 B5R0.1 N#CCC(=O)O BB_SC-07146 [1,0,1,0,0,0|1,0,1]=4 64 B5R0.1 NC(=O)CCCl BB_SC-07003 [1,0,1,0,0,0|2,0,0]=4 65 B5R0.1 NCCC(=O)O BB_SC-12000 [1,0,1,0,0,0|1,0,0]=3 66 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [1,0,1,0,0,0|2,0,0]=4 68 B5R0.1 O=C(O)CCBr BB_SC-12703 [1,0,1,0,0,0|1,0,0]=3 69 B5R0.1 O=C(O)CCCl BB_SC-06966 [1,0,1,0,0,0|1,0,0]=3 70 B5R0.2 CCCCC=O BB_NC-02285 [1,0,1,0,0,0|1,0,1]=4 71 B5R0.3 C=CC(=O)OC BB_SC-06906 [1,0,1,0,0,0|2,0,0]=4 72 B5R0.3 CCC(=O)CC BB_SC-06948 [1,0,1,0,0,0|1,0,1]=4 73 B5R0.3 CCC(=O)NO BB_SC-06499 [1,0,1,0,0,0|1,0,1]=4 74 B5R0.3 COC(=O)CN BB_NC-03070 [1,0,1,0,0,0|1,0,1]=4 75 B5R0.3 COC(=O)CO BB_SC-06427 [1,0,1,0,0,0|1,0,1]=4 76 B5R0.3 COC(=O)CS BB_SC-06606 [1,0,1,0,0,0|1,0,1]=4 77 B5R1.1 C1=COCC1 BB_SC-06597 [2,0,0,0,0,0|0,0,2]=4 78 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [0,1,1,0,0,0|2,0,0]=4 79 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [0,1,1,0,0,0|1,0,1]=4 80 B7R0.7 C\C=C\C(=O)OCC BB_NC-02193 [0,1,1,0,0,0|2,0,0]=4 81 B7R0.16 CC(=O)C(Cl)C(C)=O BB_SC-07213 [0,1,1,0,0,0|1,0,0]=3 82 B7R0.4 NCCCCC(=O)O BB_NC-02189 [0,1,1,0,0,0|1,0,1]=4 83 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,1,1,0,0,0|0,0,0]=2 84 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [0,1,1,0,0,0|1,0,0]=3 85 B7R0.6 N=C(N)SCC(=O)O BB_SC-06632 [0,1,1,0,0,0|2,0,0]=4 86 B7R0.6 O=C(O)C#CC(=O)O BB_SC-06599 [0,1,1,0,0,0|0,0,2]=4 87 B7R0.6 O=C([O-])C#CC(=O)O BB_SC-07180 [0,1,1,0,0,0|0,0,2]=4 88 B7R1.4 NC1CCOC1=O BB_NC-01193 [1,1,0,0,0,0|0,0,1]=3 89 B7R1.4 NC1CCSC1=O BB_SC-05358 [1,1,0,0,0,0|0,1,1]=4 90 B7R1.4 N[C@@H]1CONC1=O BB_NC-01631 [1,1,0,0,0,0|2,0,0]=4 91 B7R1.4 O=C1OCCC1Br BB_SC-08882 [1,1,0,0,0,0|0,0,1]=3 92 B7R1.14 O=S1(=O)C=CCC1 BB_SC-04484 [1,1,0,0,0,0|2,0,0]=4 93 B7R1.14 O=S1(=O)CCCO1 BB_SC-12403 [1,1,0,0,0,0|1,0,1]=4 94 B9R1.34 CC1CC(=O)CC(=O)C1 BB_SC-12667 [0,1,0,0,0,1|1,0,0]=3 95 B9R1.34 CC1CC(=O)OC(=O)C1 BB_SC-00219 [0,1,0,0,0,1|0,0,0]=2 96 B9R1.35 O=C1CCC(C(=O)O)N1 BB_NC-00504 [0,2,0,0,0,0|1,0,1]=4 97 B9R1.38 CC1(C)NC(=O)NC1=O BB_SC-06899 [0,2,0,0,0,0|2,0,0]=4 98 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [0,0,1,1,0,0|2,0,0]=4 99 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [0,0,1,1,0,0|1,0,1]=4 100 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [0,0,1,1,0,0|2,0,0]=4 101 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [0,0,1,0,1,0|2,0,0]=4 102 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [0,0,1,0,1,0|2,0,0]=4 103 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [0,0,1,0,1,0|2,0,0]=4 104 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [0,0,1,0,1,0|1,0,0]=3 105 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,0,1,0,1,0|0,0,0]=2 106 B5R0.5 O=C(Cl)C(=O)Cl BB_SC-07090 [0,0,1,0,1,0|2,0,0]=4