0 B10R1.66 CC(=O)CCN1C=CC=N1 BB52-8699 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.66 CC(C)NCC1=CC=CO1 BB52-0642 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.66 O=C(O)CCC1=CNC=N1 BB31-7932 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.66 O=C(O)CCC1=NC=CN1 BB31-3671 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.66 O=C(O)CCC1=NC=CS1 BB31-2782 [0,0,0,0,0,0|2,1,0]=3 6 B10R1.66 O=C(O)CCN1C=NC=N1 BB53-0845 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.12 CNCCN1C=CC=N1 BB52-9466 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.25 COC(=O)CCN1C=CC=N1 BB52-8624 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.25 O=C(CBr)NCC1=CC=CO1 BB53-0885 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.35 CC(CN1C=CC=N1)C(=O)O BB53-0168 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O BB32-1298 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.75 CC1=CN(CCC(=O)O)N=C1 BB52-9213 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.75 O=C(O)CCC1=CC(O)=NO1 BB52-3917 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 BB31-5453 [0,1,0,0,0,0|0,0,1]=2 15 B9R0.2 C\C=C\C=C\COC(C)=O BB31-2942 [0,0,1,0,0,0|2,0,0]=3 16 B9R1.13 CC(=O)CN1C=CN=C1 BB52-8511 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.13 CC(=O)NC1=CC=NN1 BB52-7769 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.13 CC(=O)NC1=NC=CN1 BB52-6106 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.13 O=C(O)CC1=NC=CS1 BB31-4063 [0,0,0,0,1,0|2,1,0]=4 20 B9R1.13 O=C(O)CC1=NNC=C1 BB31-0343 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.13 O=C(O)CN1C=CC=N1 BB52-7773 [0,0,0,0,1,0|3,0,0]=4 22 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [0,0,0,0,0,1|2,0,0]=3 25 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [0,0,0,0,0,1|2,0,0]=3 26 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.91 O=C(O)CSC1=NC=CC=N1 BB52-1566 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.172 FC(F)CNCC1=CC=CO1 BB05-4659 [0,0,0,0,0,1|2,0,1]=4 30 B11R1.172 O=C(O)CNCC1=CC=CO1 BB52-9976 [0,0,0,0,0,1|1,0,0]=2 31 B8R1.8 CCCC1=NNC=C1 BB31-7142 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.21 ClCCNCC1=CC=CO1 BB53-1061 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.21 NCCNCC1=CC=CO1 BB52-9675 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.21 OCCNCC1=CC=CO1 BB52-8109 [1,1,0,0,0,0|0,0,2]=4 35 B10R1.54 CC(=O)NC1=CC=C(Br)S1 BB31-7020 [0,1,0,0,1,0|1,1,0]=4 36 B10R1.54 O=C(O)CC1=CC=C(Br)S1 BB32-3837 [0,1,0,0,1,0|1,1,0]=4 37 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [0,1,0,0,0,1|1,0,0]=3 41 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.27 O=C(CBr)NCC1=CC=CN=C1 BB52-9526 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.27 O=C(CBr)NCC1=CC=NC=C1 BB53-0757 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 BB53-1125 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 BB53-1145 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.260 O=C(O)CS(=O)CC1=CC=CO1 BB31-7906 [0,1,0,0,0,1|1,0,0]=3 52 B12R1.264 O=C(O)C(=O)NCC1=CC=CO1 BB52-9133 [0,1,0,0,0,1|1,0,1]=4 53 B12R1.26 COC(=O)CCC1=CC(Cl)=NO1 BB52-3912 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.51 O=C(CCCl)NCC1=CC=CO1 BB52-8951 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.108 COC(=O)C(C)CN1C=CC=N1 BB52-8679 [0,2,0,0,0,0|2,0,0]=4 56 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [0,0,1,1,0,0|1,0,1]=4 57 B10R2.7 C1=CC2=C(CCCC2)N1 BB31-9527 [1,0,0,1,0,0|1,0,1]=4 58 B10R2.32 O=C1CCC2=C1C=CS2 BB32-3136 [1,0,0,1,0,0|0,1,0]=3 59 B10R2.32 O=C1CCC2=C1C=NN2 BB52-7499 [1,0,0,1,0,0|2,0,0]=4 60 B10R2.32 O=C1CCC2=CNC=C12 BB31-7130 [1,0,0,1,0,0|2,0,0]=4 61 B10R2.71 O=C1CC2C=CC(C1)O2 BB31-4964 [0,0,0,1,1,0|0,0,2]=4 62 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [0,0,0,1,0,1|2,0,0]=4 63 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [0,0,0,1,0,1|2,0,0]=4 64 B8R1.7 CC(=O)C1=CC=NO1 BB31-6420 [0,0,0,0,2,0|1,0,0]=3 65 B8R1.7 CC(=O)C1=CN=CO1 BB31-9843 [0,0,0,0,2,0|1,0,0]=3 66 B8R1.7 N=C(N)C1=CC=CO1 BB52-5806 [0,0,0,0,2,0|2,0,0]=4 67 B8R1.7 NC(=O)C1=NC=CO1 BB31-8539 [0,0,0,0,2,0|2,0,0]=4 68 B8R1.7 NC(=S)C1=CC=CO1 BB31-3461 [0,0,0,0,2,0|1,1,0]=4 69 B8R1.7 O=C(O)C1=CN=CO1 BB52-2257 [0,0,0,0,2,0|2,0,0]=4 70 B8R1.7 O=C([O-])C1=NC=CO1 BB31-1161 [0,0,0,0,2,0|2,0,0]=4 71 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [1,0,0,0,0,1|1,0,1]=4 72 B12R1.252 O=C(O)CCSC1=NC=CC=C1 BB53-1033 [0,0,0,0,0,2|2,0,0]=4 73 B12R1.252 O=C(O)CNCC1=CC=NC=C1 BB52-9214 [0,0,0,0,0,2|2,0,0]=4 74 B12R1.252 O=C(O)CNCC1=CN=CC=C1 BB52-9756 [0,0,0,0,0,2|2,0,0]=4 75 B12R1.252 O=C(O)CNCC1=NC=CC=C1 BB52-9714 [0,0,0,0,0,2|2,0,0]=4 76 B12R1.255 O=C(O)CCNCC1=CC=CO1 BB53-0954 [0,0,0,0,0,2|1,0,0]=3