0 B10R1.66 CC(=O)CCC1=CC=CO1 BB_SC-02398 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.66 CC(=O)CCN1C=CC=N1 BB_SC-12625 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 CC(C)NCC1=CC=CO1 BB_SC-04791 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.66 CC(N)CCC1=CC=CO1 BB_SC-01114 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.66 O=C(O)CCC1=CC=CO1 BB_NC-00342 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.66 O=C(O)CCN1C=CC=C1 BB_SC-12059 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.66 O=C(O)CCN1C=CC=N1 BB_SC-04468 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BB_NC-00354 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.66 O=[N+]([O-])CCC1=CC=CO1 BB_SC-02365 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.12 CCNCC1=CC=CO1 BB_SC-01705 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.12 O=C\C=C\C1=CC=CO1 BB_NC-00234 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.12 S=C=NCC1=CC=CO1 BB_SC-01799 [1,0,0,0,0,0|1,1,1]=4 12 B11R1.25 CNC(C)CCC1=CC=CO1 BB_SC-01110 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.25 COC(=O)CCN1C=CC=N1 BB_SC-03690 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.25 NCC(=O)NCC1=CC=CO1 BB_SC-08297 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.75 NC(=O)CCC1=CC(Cl)=NO1 BB_SC-10021 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 BB_SC-01111 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.75 O=C(O)CCC1=CC(O)=NO1 BB_SC-03278 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.77 NC(CC(=O)O)C1=CC=CS1 BB_SC-11622 [0,1,0,0,0,0|2,1,0]=4 19 B11R2.385 C1=COC(CNC2CC2)=C1 BB_SC-04192 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.13 CC(=O)NC1=CC=NN1 BB_SC-03675 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.13 O=C(Cl)CC1=CC=CS1 BB_SC-04631 [0,0,0,0,1,0|1,1,0]=3 22 B9R1.13 O=C(O)CC1=CSC=C1 BB_SC-11479 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.13 O=C(O)CN1C=CC=N1 BB_SC-05012 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [0,0,0,0,0,1|2,0,0]=3 25 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [0,0,0,0,0,1|2,0,1]=4 26 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BB_SC-07201 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.172 O=C(O)CNCC1=CC=CO1 BB_SC-09207 [0,0,0,0,0,1|2,0,0]=3 30 B8R1.8 NCCC1=CC=CO1 BB_SC-03286 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.21 CNCCCC1=CC=CO1 BB_SC-01707 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BB_NC-00186 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BB_NC-00092 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.477 COC(=O)CNCC1=CC=CO1 BB_SC-09189 [0,1,0,0,0,1|1,0,0]=3 35 B12R1.477 NCC(O)COCC1=CC=CO1 BB_SC-00543 [0,1,0,0,0,1|0,0,2]=4 36 B12R1.26 COC(=O)CCC1=CC(Cl)=NO1 BB_SC-04090 [0,2,0,0,0,0|2,0,0]=4 37 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BB_SC-06782 [0,0,1,1,0,0|1,0,1]=4 38 B10R1.113 CC(=O)C1=CC(O)=CC=C1 BB_SC-07222 [0,0,1,1,0,0|1,0,1]=4 39 B12R2.2383 C1=COC(COCC2CO2)=C1 BB_SC-00379 [0,0,0,1,0,1|0,0,2]=4 40 B8R1.7 CC(=O)C1=CC=CN1 BB_SC-04064 [0,0,0,0,2,0|1,0,0]=3 41 B8R1.7 CC(=O)C1=CC=CO1 BB_SC-06820 [0,0,0,0,2,0|0,0,0]=2 42 B8R1.7 CC(=O)C1=CSC=C1 BB_SC-04782 [0,0,0,0,2,0|2,0,0]=4 43 B8R1.7 O=C(Cl)C1=CC=CS1 BB_SC-06755 [0,0,0,0,2,0|1,1,0]=4 44 B8R1.7 O=C(O)C1=CC=CN1 BB_SC-10428 [0,0,0,0,2,0|2,0,0]=4 45 B8R1.7 O=C(O)C1=CC=CO1 BB_SC-06491 [0,0,0,0,2,0|1,0,0]=3 46 B12R1.255 O=C(O)CO\N=C\C1=CC=CO1 BB_SC-01359 [0,0,0,0,0,2|1,0,1]=4