0 B9R0.55 O=C(O)CCCCC(=O)O BB_SC-07132 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.55 O=C(O)\C=C\C=C\C(=O)O BB_SC-02887 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.113 CC(=O)C1=CC(O)=CC=C1 BB_SC-07222 [0,0,0,1,0,0|2,0,0]=3 3 B10R1.113 CC(=O)C1=CC=CC(N)=C1 BB_SC-10669 [0,0,0,1,0,0|3,0,0]=4 4 B10R1.113 NC(=O)C1=CC=CC(N)=C1 BB_SC-07456 [0,0,0,1,0,0|3,0,0]=4 5 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BB_SC-06272 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BB_SC-04954 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BB_SC-12388 [0,0,0,1,0,0|2,0,0]=3 8 B10R1.113 NC1=NC=CC(C(=O)O)=C1 BB_SC-05192 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB_SC-03258 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 BB_SC-02566 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 BB_SC-04632 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.113 O=C(O)C1=CC(O)=CN=C1 BB_NC-01971 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.113 O=C(O)C1=CC=CC(O)=C1 BB_SC-06483 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 BB_SC-06795 [0,0,0,1,0,0|2,0,1]=4 15 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 BB_SC-03441 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BB_SC-04741 [0,0,0,1,0,0|1,0,0]=2 17 B8R0.28 O=C(O)CNCC(=O)O BB_SC-09398 [0,0,0,0,1,0|1,0,2]=4 18 B7R0.4 C\C=C\C=C\C(=O)O BB_NC-00413 [2,0,0,0,0,0|0,0,1]=3 19 B9R0.7 O=C(O)CCC(=O)C(=O)O BB_NC-02331 [0,1,0,0,1,0|0,0,2]=4 20 B9R0.53 C\C(=C/C(=O)O)CC(=O)O BB_NC-02781 [0,1,0,0,1,0|0,0,1]=3 21 B9R0.53 O=C(O)CC(=O)CC(=O)O BB_NC-02274 [0,1,0,0,1,0|0,0,2]=4 22 B9R1.2 O=CC1=CC(F)=CC=C1 BB_SC-03369 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.2 O=CC1=NC(Br)=CC=C1 BB_SC-04737 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.6 CC(=O)C1=CC=CC=N1 BB_SC-06522 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.6 O=C(O)C1=CC=CN=C1 BB_SC-12613 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.6 O=C(O)C1=CC=NC=C1 BB_SC-07270 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.6 O=C(O)C1=CN=CC=N1 BB_SC-05383 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.6 O=C([O-])C1=NC=CC=C1 BB_SC-07257 [1,0,0,1,0,0|1,0,1]=4 29 B9R1.35 CC(=O)C1=CC=C(C)O1 BB_SC-05466 [0,0,0,1,1,0|2,0,0]=4 30 B9R1.35 O=C(O)C1=CC=C(Br)O1 BB_SC-03350 [0,0,0,1,1,0|1,0,0]=3 31 B11R1.75 O=C(O)\C=C/C1=NNC(O)=N1 BB_SC-10819 [0,0,0,1,0,1|2,0,0]=4 32 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 BB_SC-05538 [0,0,0,1,0,1|2,0,0]=4 33 B11R1.178 O=C(O)C1=C(C(=O)O)NC=N1 BB_SC-00422 [0,0,0,1,0,1|1,0,0]=3 34 B11R1.178 O=C(O)C1=NON=C1C(=O)O BB_SC-02626 [0,0,0,1,0,1|2,0,0]=4 35 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BB_NC-02267 [0,1,0,1,0,0|1,0,1]=4 36 B11R1.23 COC(=O)C1=CC=CC(Cl)=N1 BB_SC-06671 [0,1,0,1,0,0|2,0,0]=4 37 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 BB_SC-10700 [0,1,0,1,0,0|2,0,0]=4 38 B11R1.266 COC1=CC(C(C)=O)=CC=C1 BB_SC-06240 [0,1,0,1,0,0|2,0,0]=4 39 B11R1.266 COC1=NC=CC(C(=O)O)=C1 BB_SC-04908 [0,1,0,1,0,0|2,0,0]=4 40 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 BB_SC-03750 [0,1,0,1,0,0|2,0,0]=4 41 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 BB_SC-06878 [0,1,0,1,0,0|2,0,0]=4 42 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 BB_SC-09506 [0,1,0,1,0,0|2,0,0]=4 43 B11R1.74 CC1=NC(O)=NC(C(=O)O)=C1 BB_SC-10583 [0,1,0,1,0,0|2,0,0]=4 44 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 BB_SC-04570 [0,1,0,1,0,0|2,0,0]=4 45 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 BB_NC-02257 [0,1,0,1,0,0|1,0,0]=3 46 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 BB_NC-01990 [0,1,0,1,0,0|2,0,0]=4 47 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 BB_NC-02208 [0,1,0,1,0,0|2,0,0]=4 48 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 BB_NC-02936 [0,1,0,1,0,0|2,0,0]=4 49 B11R1.167 CC(=O)C1=CC(O)=CC=C1O BB_SC-06838 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 BB_SC-02770 [0,1,0,1,0,0|2,0,0]=4 51 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 BB_SC-05514 [0,1,0,1,0,0|2,0,0]=4 52 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 BB_SC-02782 [0,1,0,1,0,0|1,0,0]=3 53 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 BB_NC-00015 [0,1,0,1,0,0|2,0,0]=4 54 B11R1.167 NC1=CC=C(Br)C=C1C(=O)O BB_SC-02779 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.167 NC1=CC=C(Cl)C(C(=O)O)=C1 BB_SC-10834 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.167 NC1=CC=C(F)C(C(=O)O)=C1 BB_SC-10837 [0,1,0,1,0,0|2,0,0]=4 57 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 BB_SC-04571 [0,1,0,1,0,0|2,0,0]=4 58 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 BB_SC-06258 [0,1,0,1,0,0|2,0,0]=4 59 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 BB_SC-04573 [0,1,0,1,0,0|2,0,0]=4 60 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 BB_NC-02255 [0,1,0,1,0,0|1,0,0]=3 61 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O BB_SC-06654 [0,1,0,1,0,0|2,0,0]=4 62 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl BB_SC-02559 [0,1,0,1,0,0|2,0,0]=4 63 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 BB_SC-06208 [0,1,0,1,0,0|2,0,0]=4 64 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 BB_SC-09640 [0,1,0,1,0,0|2,0,0]=4 65 B11R1.21 NC1=CC(C(=O)O)=CC=C1F BB_SC-10660 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.21 NC1=CC=C(C(=O)O)C=C1N BB_SC-02405 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.21 NC1=CC=C(C(=O)O)C=C1S BB_SC-05037 [0,1,0,1,0,0|1,1,0]=4 68 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 BB_SC-03271 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 BB_SC-03262 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 BB_SC-04580 [0,1,0,1,0,0|1,0,0]=3 71 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 BB_SC-04572 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 BB_NC-02256 [0,1,0,1,0,0|1,0,0]=3 73 B7R0.6 O=C(O)C#CC(=O)O BB_SC-06599 [0,0,0,0,2,0|0,0,2]=4