0 B9R1.13 CC(=O)CN1C=CN=C1 BB52-8511 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.13 CC(=O)NC1=CC=NN1 BB52-7769 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.13 CC(=O)NC1=NC=CN1 BB52-6106 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.13 CC(N)CC1=NC=CS1 BB57-1486 [0,0,0,0,0,0|2,1,1]=4 4 B9R1.13 CN(C)C=C1C=CC=C1 BB31-7355 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.13 O=C(O)CC1=NC=CS1 BB31-4063 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.13 O=C(O)CC1=NNC=C1 BB31-0343 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.13 O=C(O)CN1C=CC=N1 BB52-7773 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.13 O=C(O)CN1C=NC=N1 BB52-9202 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 CCCC1=NNC=C1 BB31-7142 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 BB31-0809 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.27 COC(=O)CN1C=CC=N1 BB31-6200 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.27 COC(=O)CN1C=CN=C1 BB52-8512 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.54 CC(=O)NC1=CC=C(Br)S1 BB31-7020 [0,1,0,0,0,0|1,1,0]=3 14 B10R1.54 CC1=CN(CC(=O)O)N=C1 BB53-1096 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.54 CC1=NC(CC(=O)O)=CO1 BB54-4128 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.54 CN1C=NC(CC(=O)O)=C1 BB31-4406 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.54 CN1C=NC(CC(=O)O)=C1 BB31-4978 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.54 NC(=O)CC1=CSC(N)=N1 BB52-8081 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.54 O=C(O)CC1=CC=C(Br)S1 BB32-3837 [0,1,0,0,0,0|1,1,0]=3 20 B10R2.71 O=C1CC2C=CC(C1)O2 BB31-4964 [0,0,0,1,0,0|0,0,2]=3 21 B8R1.7 CC(=O)C1=CC=NO1 BB31-6420 [0,0,0,0,1,0|1,0,0]=2 22 B8R1.7 CC(=O)C1=CN=CO1 BB31-9843 [0,0,0,0,1,0|1,0,0]=2 23 B8R1.7 CC(N)C1=CC=CS1 BB32-0760 [0,0,0,0,1,0|1,1,1]=4 24 B8R1.7 N=C(N)C1=CC=CO1 BB52-5806 [0,0,0,0,1,0|2,0,0]=3 25 B8R1.7 NC(=O)C1=COC=C1 BB32-3212 [0,0,0,0,1,0|3,0,0]=4 26 B8R1.7 NC(=O)C1=NC=CN1 BB31-3274 [0,0,0,0,1,0|3,0,0]=4 27 B8R1.7 NC(=O)C1=NC=CO1 BB31-8539 [0,0,0,0,1,0|2,0,0]=3 28 B8R1.7 NC(=S)C1=CC=CO1 BB31-3461 [0,0,0,0,1,0|1,1,0]=3 29 B8R1.7 O=C(O)C1=CC=NS1 BB54-5260 [0,0,0,0,1,0|2,1,0]=4 30 B8R1.7 O=C(O)C1=CN=CO1 BB52-2257 [0,0,0,0,1,0|2,0,0]=3 31 B8R1.7 O=C([O-])C1=NC=CO1 BB31-1161 [0,0,0,0,1,0|2,0,0]=3 32 B8R1.7 O=[N+]([O-])C1=CC=CN1 BB31-4901 [0,0,0,0,1,0|3,0,0]=4 33 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [0,0,0,0,0,1|1,0,0]=2 34 B10R1.18 CC(C)CC1=NC=CC=C1 BB31-5691 [0,0,0,0,0,1|2,0,1]=4 35 B10R1.18 N=C(N)CC1=CC=CN=C1 BB52-5807 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.18 N=C(N)CC1=NC=CC=C1 BB52-5801 [0,0,0,0,0,1|3,0,0]=4 37 B10R1.18 O=C(O)CC1=NC=CN=C1 BB31-2541 [0,0,0,0,0,1|2,0,0]=3 38 B10R1.66 CC(=O)CCN1C=CC=N1 BB52-8699 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.66 CC(C)NCC1=CC=CO1 BB52-0642 [0,0,0,0,0,1|1,0,1]=3 40 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [0,0,0,0,0,1|2,0,0]=3 41 B10R1.66 O=C(O)CCC1=CNC=N1 BB31-7932 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.66 O=C(O)CCC1=NC=CN1 BB31-3671 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.66 O=C(O)CCC1=NC=CS1 BB31-2782 [0,0,0,0,0,1|2,1,0]=4 44 B7R1.1 CCC1=CN=CN1 BB31-2770 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.1 ClCC1=CC=NO1 BB54-1978 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.1 NCC1=CC=NO1 BB31-7725 [2,0,0,0,0,0|2,0,0]=4 47 B7R1.1 NCC1=NC=CO1 BB31-4984 [2,0,0,0,0,0|2,0,0]=4 48 B7R1.1 O=CC1=CN=CO1 BB31-8199 [2,0,0,0,0,0|1,0,0]=3 49 B7R1.1 O=CC1=NC=CO1 BB31-4873 [2,0,0,0,0,0|1,0,0]=3 50 B7R1.1 OCC1=CC=NO1 BB31-7380 [2,0,0,0,0,0|1,0,1]=4 51 B7R1.1 OCC1=NC=CO1 BB31-1661 [2,0,0,0,0,0|1,0,1]=4 52 B9R0.2 C\C=C\C=C\COC(C)=O BB31-2942 [0,1,1,0,0,0|1,0,0]=3 53 B9R1.11 O=CC(=O)C1=CC=CO1 BB31-8251 [1,1,0,0,0,0|0,0,1]=3 54 B9R1.35 CC(=O)C1=CC(Br)=NO1 BB31-6992 [0,1,0,0,1,0|1,0,0]=3 55 B9R1.35 CC(=O)C1=CC=C(Br)O1 BB32-1375 [0,1,0,0,1,0|0,0,0]=2 56 B9R1.35 CC(=O)C1=CN=C(C)S1 BB32-2648 [0,1,0,0,1,0|1,1,0]=4 57 B9R1.35 CC(=O)C1=CNC(C)=C1 BB32-3505 [0,1,0,0,1,0|2,0,0]=4 58 B9R1.35 CC(=O)C1=CSC(Br)=C1 BB32-3092 [0,1,0,0,1,0|2,0,0]=4 59 B9R1.35 CC(=O)C1=NC(Br)=CS1 BB31-4111 [0,1,0,0,1,0|1,1,0]=4 60 B9R1.35 CC1=CC=C([N+](=O)[O-])O1 BB17-0710 [0,1,0,0,1,0|2,0,0]=4 61 B9R1.35 CC1=CNC(C(=O)O)=C1 BB31-4952 [0,1,0,0,1,0|2,0,0]=4 62 B9R1.35 CC1=NC=C(C(=O)O)O1 BB31-2190 [0,1,0,0,1,0|2,0,0]=4 63 B9R1.35 NC(=O)C1=CC=C(Cl)S1 BB31-7647 [0,1,0,0,1,0|1,1,0]=4 64 B9R1.35 O=C(O)C1=CC(Br)=CN1 BB52-8147 [0,1,0,0,1,0|2,0,0]=4 65 B9R1.35 O=C(O)C1=CC(O)=NO1 BB52-3965 [0,1,0,0,1,0|2,0,0]=4 66 B9R1.35 O=C(O)C1=CC=C(F)S1 BB31-4908 [0,1,0,0,1,0|1,1,0]=4 67 B9R1.35 O=C(O)C1=CN=C(Cl)O1 BB31-2956 [0,1,0,0,1,0|2,0,0]=4 68 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 BB31-5669 [0,1,0,0,1,0|2,0,0]=4 69 B9R1.41 CC(=O)C1=CNC=C1C BB31-4047 [0,1,0,0,1,0|2,0,0]=4 70 B9R1.41 CC1=C(C(=O)O)ON=C1 BB31-4383 [0,1,0,0,1,0|2,0,0]=4 71 B9R1.41 NC(=O)C1=C(Br)C=CS1 BB31-6931 [0,1,0,0,1,0|1,1,0]=4 72 B9R1.41 NC(=O)C1=CC=CN1N BB31-3190 [0,1,0,0,1,0|2,0,0]=4 73 B9R1.41 O=C(O)C1=C(Br)C=CN1 BB31-2563 [0,1,0,0,1,0|2,0,0]=4 74 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 BB32-3681 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 BB32-3859 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 BB31-9657 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 BB31-0029 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 BB31-0032 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 BB32-1369 [0,1,0,0,0,1|1,0,0]=3 80 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 BB31-5646 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [0,1,0,0,0,1|1,0,0]=3 82 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 BB31-8198 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 BB12-7660 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 BB31-5786 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 BB31-0028 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 BB31-0336 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.157 CC(=O)NC1=NC=CC(I)=C1 BB31-6635 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 BB31-5028 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 BB31-1635 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 BB31-4723 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 BB32-2011 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 BB31-6394 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 BB31-0031 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.509 CS(=N)(=O)CC1=CC=CC=C1 BB31-7855 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.25 COC(=O)CCN1C=CC=N1 BB52-8624 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.25 O=C(CBr)NCC1=CC=CO1 BB53-0885 [0,1,0,0,0,1|0,0,0]=2 98 B11R1.75 O=C(O)CCC1=CC(O)=NO1 BB52-3917 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 BB31-5453 [0,1,0,0,0,1|0,0,0]=2 100 B11R1.173 CC(N)(C(=O)O)C1=CC=CS1 BB52-8151 [0,2,0,0,0,0|1,1,0]=4 101 B11R1.298 CC(=O)C(C#N)C1=CC=CS1 BB52-6966 [0,2,0,0,0,0|0,1,0]=3 102 B11R1.30 CCNC(=O)CN1C=CC=N1 BB31-6267 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.39 COC(=O)CC1=CC(C)=NO1 BB32-1267 [0,2,0,0,0,0|1,0,0]=3 104 B11R2.10 O=C1CC2=C(C=CC=N2)N1 BB31-4947 [0,0,0,1,0,1|2,0,0]=4 105 B11R2.10 O=C1CC2=C(C=NC=C2)N1 BB32-2391 [0,0,0,1,0,1|2,0,0]=4 106 B11R2.10 O=C1CC2=C(N=CN=C2)N1 BB32-3551 [0,0,0,1,0,1|2,0,0]=4 107 B9R1.8 CNCC1=CC=NC=C1 BB52-3970 [1,0,0,0,0,1|2,0,0]=4 108 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [0,0,0,0,0,2|2,0,0]=4 109 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [0,0,0,0,0,2|2,0,0]=4 110 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [0,0,0,0,0,2|2,0,0]=4 111 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [0,0,0,0,0,2|2,0,0]=4 112 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [0,0,0,0,0,2|2,0,0]=4 113 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [0,0,0,0,0,2|2,0,0]=4 114 B11R1.91 O=C(O)CSC1=NC=CC=N1 BB52-1566 [0,0,0,0,0,2|2,0,0]=4 115 B11R1.172 O=C(O)CNCC1=CC=CO1 BB52-9976 [0,0,0,0,0,2|1,0,0]=3