0 B9R1.35 CC1=CC(C(=O)O)=CS1 3002756 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC1=CC(C(F)F)=NN1 3002518 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC1=CNC(C(=O)O)=N1 4088804 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.35 CC1=CSC(B(O)O)=C1 4089313 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 CC1=NC(C(=O)O)=CN1 4088219 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 CC1=NN=C(C(=O)O)O1 4088445 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.35 CC1=NNC(C(=O)O)=N1 4003911 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 3002042 [0,0,0,0,0,0|1,0,3]=4 9 B9R1.35 CN1N=CC(C(=O)O)=N1 4110789 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 NC(=O)C1=NNC(N)=C1 4089407 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 O=C(O)C1=CC(Br)=CS1 3013954 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 O=C(O)C1=NNC(Cl)=N1 4091079 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 O=[N+]([O-])C1=NNC(Br)=N1 3002170 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.1 CC1=CC(CN)=NO1 4003548 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.1 CC1=CNC(C=O)=C1 4036719 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.1 CC1=NC(C=O)=CO1 4038328 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.1 CC1=NC=C(C=O)S1 4301186 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.1 CN1C=C(C=O)C=N1 4301129 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.7 O=[N+]([O-])C1=NNC=C1 3001567 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.14 CC1=CC(C(=O)NN)=CS1 3007489 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.14 CC1=CC(C(=O)NN)=NO1 3007474 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.14 CNC(=O)C1=NNC(N)=C1 4087937 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.14 COC(=O)C1=NNC(N)=C1 4088532 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.14 COC(=O)C1=NNC(N)=N1 4009538 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.31 CCC1=CC(C(=O)O)=CS1 3007503 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.31 CCC1=CC=C(C(=O)O)N1 4043364 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.31 CCC1=NC(C(=O)O)=CO1 3002816 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.31 CNC1=NC(C(=O)O)=CS1 4088392 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.31 COC1=CC=C(C(=O)O)O1 4001967 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.31 NCC1=CC=C(C(=O)O)O1 4089807 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.31 NCC1=NC(C(N)=O)=NO1 4089105 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.58 CC1=CC(C(=O)O)=NN1C 3002387 [0,1,0,0,0,0|0,0,0]=1 33 B10R1.58 CC1=NC(C(=O)O)=NN1C 4085547 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.58 CN1N=C(C(=O)O)N=C1Cl 4087584 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 4029525 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.59 CC1=NC(C(N)=O)=C(N)N1 4027212 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 3002457 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.194 CC1=CC=C(C(=O)O)N1C 4028920 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.194 CC1=NNC(C(=O)O)=C1C 4010193 [0,1,0,0,0,0|0,0,2]=3 40 B10R1.194 NC1=C(Cl)C(C(=O)O)=NN1 5815795 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [0,0,0,0,0,1|2,0,0]=3 42 B10R1.54 CC(=O)NC1=NNC(N)=N1 3001899 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.54 CC1=CN(CC(=O)O)N=C1 4089617 [0,0,0,0,0,1|2,0,0]=3 44 B10R1.54 CN1C=CC(CC(=O)O)=C1 4400835 [0,0,0,0,0,1|3,0,0]=4 45 B7R1.1 O=CC1=CC=NS1 4030495 [2,0,0,0,0,0|1,0,1]=4 46 B9R1.7 CNCC1=NNC(C)=C1 4090898 [1,1,0,0,0,0|1,0,1]=4 47 B9R1.7 CNCC1=NNC(C)=C1 4110852 [1,1,0,0,0,0|1,0,1]=4 48 B9R1.23 CC1=NC(C=O)=NN1C 4031273 [1,1,0,0,0,0|1,0,0]=3 49 B9R1.41 CC1=C(C(=O)O)N=CS1 4043076 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.41 CC1=C(C(=O)O)SC=C1 3020058 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.41 CN1C=CC=C1C(=O)O 3020106 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.41 O=C(O)C1=C(I)C=NN1 3001905 [1,1,0,0,0,0|0,0,2]=4 53 B11R1.3 O=C(O)C1=NC=C(CO)N=C1 4077916 [0,1,0,0,0,1|1,0,0]=3 54 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4091150 [0,1,0,0,0,1|1,0,1]=4 55 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4089795 [0,1,0,0,0,1|1,0,1]=4 56 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 4036495 [0,1,0,0,0,1|1,0,1]=4 57 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4015123 [0,1,0,0,0,1|1,0,1]=4 58 B11R1.48 CC1=C(CN)C=C(C(=O)O)O1 4090563 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.124 CCCC1=CC(C(=O)O)=CS1 3007506 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.124 CCCC1=NOC(C(=O)O)=C1 3002261 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.175 CC(=O)C1=NNC(C(=O)O)=C1 4005123 [0,2,0,0,0,0|0,0,2]=4 62 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 3007509 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.175 CC(C)N1C=C(C(=O)O)N=N1 4110808 [0,2,0,0,0,0|1,0,1]=4 64 B11R1.175 CN(C)C1=NOC(C(=O)O)=C1 4037321 [0,2,0,0,0,0|1,0,1]=4 65 B11R1.673 CC1=NN(C)C(C(=O)O)=C1C 4042991 [0,2,0,0,0,0|0,0,2]=4 66 B11R1.64 CCC1=C(C)SC=C1C(=O)O 3007493 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.6 O=C(O)C1=CCCNC1 4088590 [0,0,1,1,0,0|1,0,1]=4 68 B9R1.2 O=CC1=CC(O)=NC=N1 4110682 [1,0,0,0,0,1|1,0,1]=4 69 B11R1.75 CC1=NN=C(CCC(=O)O)N1 4091122 [0,0,0,0,0,2|1,0,1]=4 70 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 4079088 [0,0,0,0,0,2|1,0,0]=3