0 B9R1.13 CC(=O)NC1=CC=NN1 BB_SC-03675 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.13 O=C(Cl)CC1=CC=CS1 BB_SC-04631 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.13 O=C(O)CC1=CSC=C1 BB_SC-11479 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.13 O=C(O)CN1C=CC=N1 BB_SC-05012 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.13 O=C(O)CN1C=CN=C1 BB_SC-08405 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 CNCC1=CN=CN1 BB_SC-12539 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.8 NCCC1=CC=CO1 BB_SC-03286 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.8 O\N=C\C1=CC=CO1 BB_SC-06763 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 BB_NC-03174 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.27 COC(=O)CN1C=CC=N1 BB_SC-10055 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.27 COC(=O)CN1C=CN=C1 BB_SC-10258 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.27 NCC(=O)NC1=NC=CS1 BB_SC-08506 [0,1,0,0,0,0|2,1,0]=4 12 B10R1.54 CC1=CN(CC(=O)O)N=C1 BB_SC-03787 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.54 CC1=NC(CC(=O)O)=CS1 BB_SC-04496 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.54 CC1=NN(CC(=O)O)C=C1 BB_SC-06193 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.54 NC(=O)CC1=CSC(N)=N1 BB_SC-07527 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.54 NC(=O)CN1C=C(Br)C=N1 BB_SC-09178 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.54 NC1=NC(CC(=O)O)=CS1 BB_SC-04060 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.54 O=C(O)CC1=CC(=O)NN1 BB_SC-11830 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.54 O=C(O)CN1C=C(Br)C=N1 BB_SC-08869 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.54 O=C(O)CN1C=C(I)C=N1 BB_SC-12419 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.64 CC1=CC=NN1CC(=O)O BB_SC-06372 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [0,0,1,0,0,0|1,0,2]=4 23 B8R1.7 CC(=O)C1=CC=CN1 BB_SC-04064 [0,0,0,0,1,0|1,0,0]=2 24 B8R1.7 CC(=O)C1=CC=CO1 BB_SC-06820 [0,0,0,0,1,0|0,0,0]=1 25 B8R1.7 CC(=O)C1=CSC=C1 BB_SC-04782 [0,0,0,0,1,0|2,0,0]=3 26 B8R1.7 O=C(Cl)C1=CC=CS1 BB_SC-06755 [0,0,0,0,1,0|1,1,0]=3 27 B8R1.7 O=C(O)C1=CC=CN1 BB_SC-10428 [0,0,0,0,1,0|2,0,0]=3 28 B8R1.7 O=C(O)C1=CC=CO1 BB_SC-06491 [0,0,0,0,1,0|1,0,0]=2 29 B8R1.7 O=C(O)C1=CSC=C1 BB_SC-09202 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.7 O=C(O)C1=NNC=C1 BB_SC-00195 [0,0,0,0,1,0|3,0,0]=4 31 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [0,0,0,0,0,1|1,0,0]=2 32 B10R1.18 CC(=O)NC1=CN=CC=C1 BB_SC-09458 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BB_SC-06813 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.66 CC(=O)CCC1=CC=CO1 BB_SC-02398 [0,0,0,0,0,1|0,0,0]=1 37 B10R1.66 CC(=O)CCN1C=CC=N1 BB_SC-12625 [0,0,0,0,0,1|2,0,0]=3 38 B10R1.66 CC(C)NCC1=CC=CO1 BB_SC-04791 [0,0,0,0,0,1|1,0,1]=3 39 B10R1.66 CC(N)CCC1=CC=CO1 BB_SC-01114 [0,0,0,0,0,1|1,0,1]=3 40 B10R1.66 O=C(O)CCC1=CC=CO1 BB_NC-00342 [0,0,0,0,0,1|1,0,0]=2 41 B10R1.66 O=C(O)CCN1C=CC=C1 BB_SC-12059 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.66 O=C(O)CCN1C=CC=N1 BB_SC-04468 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BB_NC-00354 [0,0,0,0,0,1|1,0,1]=3 44 B10R1.66 O=[N+]([O-])CCC1=CC=CO1 BB_SC-02365 [0,0,0,0,0,1|2,0,0]=3 45 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [1,0,1,0,0,0|1,0,1]=4 46 B7R0.4 C\C=C\C=C\C(=O)O BB_NC-00413 [1,0,1,0,0,0|2,0,0]=4 47 B7R1.1 CCC1=NC=CN1 BB_SC-07161 [2,0,0,0,0,0|2,0,0]=4 48 B7R1.1 NCC1=CC=CO1 BB_SC-06537 [2,0,0,0,0,0|1,0,0]=3 49 B7R1.1 O=CC1=CC=CN1 BB_SC-04628 [2,0,0,0,0,0|1,0,0]=3 50 B7R1.1 O=CC1=CC=CS1 BB_SC-11213 [2,0,0,0,0,0|0,1,0]=3 51 B7R1.1 O=CC1=CNC=N1 BB_SC-12411 [2,0,0,0,0,0|2,0,0]=4 52 B7R1.1 O=CC1=CSC=C1 BB_SC-09203 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.4 C=CCOC(=O)CC(C)=O BB_SC-06915 [0,1,1,0,0,0|1,0,0]=3 54 B9R0.55 O=C(O)\C=C\C=C\C(=O)O BB_SC-02887 [0,1,1,0,0,0|1,0,1]=4 55 B9R1.12 CCNCC1=CC=CO1 BB_SC-01705 [1,1,0,0,0,0|0,0,1]=3 56 B9R1.12 O=C\C=C\C1=CC=CO1 BB_NC-00234 [1,1,0,0,0,0|0,0,1]=3 57 B9R1.12 S=C=NCC1=CC=CO1 BB_SC-01799 [1,1,0,0,0,0|0,1,1]=4 58 B9R1.33 CNCC1=CC=CN1C BB_SC-09778 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.35 CC(=O)C1=CC=C(Br)S1 BB_SC-04749 [0,1,0,0,1,0|0,1,0]=3 60 B9R1.35 CC(=O)C1=CC=C(C)O1 BB_SC-05466 [0,1,0,0,1,0|0,0,0]=2 61 B9R1.35 CC1=NOC(C(=O)O)=C1 BB_SC-09172 [0,1,0,0,1,0|2,0,0]=4 62 B9R1.35 O=C(O)C1=CC(Cl)=NO1 BB_SC-10605 [0,1,0,0,1,0|2,0,0]=4 63 B9R1.35 O=C(O)C1=CC=C(Br)O1 BB_SC-03350 [0,1,0,0,1,0|1,0,0]=3 64 B9R1.41 CC(=O)C1=CC=NN1C BB_SC-03698 [0,1,0,0,1,0|2,0,0]=4 65 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BB_SC-07000 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BB_SC-07122 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BB_NC-02327 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB_NC-00007 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 BB_SC-07389 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BB_NC-02267 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 BB_NC-00460 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 BB_NC-00505 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BB_NC-02227 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 BB_NC-02315 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.40 COC(=O)CC1=CC=CC=C1 BB_SC-07169 [0,1,0,0,0,1|1,0,0]=3 76 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB_NC-02262 [0,1,0,0,0,1|1,0,1]=4 77 B11R1.40 NCC(=O)NC1=CC=NC=C1 BB_SC-08973 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.40 NCC(=O)NC1=NC=CC=C1 BB_SC-08972 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB_SC-00267 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 BB_SC-04170 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.157 CC(=O)NC1=NC(Cl)=CN=C1 BB_SC-10143 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BB_SC-07736 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.25 CNC(C)CCC1=CC=CO1 BB_SC-01110 [0,1,0,0,0,1|1,0,1]=4 84 B11R1.25 COC(=O)CCN1C=CC=N1 BB_SC-03690 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.25 NCC(=O)NCC1=CC=CO1 BB_SC-08297 [0,1,0,0,0,1|0,0,0]=2 86 B11R1.75 NC(=O)CCC1=CC(Cl)=NO1 BB_SC-10021 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 BB_SC-01111 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.75 O=C(O)CCC1=CC(O)=NO1 BB_SC-03278 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.77 NC(CC(=O)O)C1=CC=CS1 BB_SC-11622 [0,1,0,0,0,1|1,1,0]=4 90 B11R1.298 CN(C)C(CN)C1=CC=CO1 BB_SC-04099 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.39 CC1=NOC(NC(=O)CN)=C1 BB_SC-11252 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.39 CNC(=O)CC1=CSC(N)=N1 BB_SC-07526 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.39 COC(=O)CC1=CSC(C)=N1 BB_SC-04797 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.228 COC(=O)CC1=CC=CN1C BB_SC-05518 [0,2,0,0,0,0|1,0,0]=3 95 B9R1.6 CC(=O)C1=CC=CC=N1 BB_SC-06522 [0,0,1,1,0,0|1,0,1]=4 96 B11R2.10 O=C1CC2=C(C=CC=C2)N1 BB_SC-04787 [0,0,0,1,0,1|2,0,0]=4 97 B11R2.385 C1=COC(CNC2CC2)=C1 BB_SC-04192 [0,0,0,1,0,1|1,0,1]=4 98 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [1,0,0,0,0,1|2,0,0]=4 99 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [1,0,0,0,0,1|2,0,0]=4 100 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [1,0,0,0,0,1|2,0,0]=4 101 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [0,0,0,0,0,2|1,0,0]=3 102 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [0,0,0,0,0,2|1,0,1]=4 103 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [0,0,0,0,0,2|2,0,0]=4 104 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BB_SC-07201 [0,0,0,0,0,2|2,0,0]=4 105 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [0,0,0,0,0,2|2,0,0]=4 106 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB_NC-02642 [0,0,0,0,0,2|2,0,0]=4 107 B11R1.91 O=C(O)CNC1=NC=CC=N1 BB_NC-02112 [0,0,0,0,0,2|2,0,0]=4 108 B11R1.91 O=C(O)COC1=CC=CC=C1 BB_SC-06261 [0,0,0,0,0,2|2,0,0]=4 109 B11R1.91 O=C(O)COC1=CC=CN=C1 BB_SC-06065 [0,0,0,0,0,2|2,0,0]=4 110 B11R1.91 O=C(O)CSC1=NC=CC=N1 BB_SC-06233 [0,0,0,0,0,2|2,0,0]=4 111 B11R1.172 O=C(O)CNCC1=CC=CO1 BB_SC-09207 [0,0,0,0,0,2|1,0,0]=3