0 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 4088176 [0,0,0,0,0,0|2,1,0]=3 1 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4030428 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.3 O=C(O)C1=NC=C(CO)N=C1 4077916 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.3 CCC1=CC=C(C=O)N=C1 4019624 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4089085 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4089640 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4088767 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.113 CCNC1=NC=C(C(=O)O)C=N1 4025321 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 3002371 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 4089273 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.31 CCC1=CC(C(=O)O)=CS1 3007503 [0,0,0,0,1,0|2,0,0]=3 15 B10R1.31 CCC1=CC=C(C(=O)O)N1 4043364 [0,0,0,0,1,0|2,0,0]=3 16 B10R1.31 CCC1=NC(C(=O)O)=CO1 3002816 [0,0,0,0,1,0|3,0,0]=4 17 B10R1.31 CNC1=NC(C(=O)O)=CS1 4088392 [0,0,0,0,1,0|3,0,0]=4 18 B10R1.31 COC1=CC=C(C(=O)O)O1 4001967 [0,0,0,0,1,0|1,0,0]=2 19 B10R1.31 NCC1=CC=C(C(=O)O)O1 4089807 [0,0,0,0,1,0|3,0,0]=4 20 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4088669 [0,0,0,0,0,1|2,0,0]=3 21 B11R1.83 COC1=CC=C(CNN)C=C1 4085299 [1,1,0,0,0,0|1,0,1]=4 22 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4091150 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4089795 [1,1,0,0,0,0|1,0,0]=3 24 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 3013956 [0,1,0,0,1,0|2,0,0]=4 25 B11R1.124 CCCC1=CC(C(=O)O)=CS1 3007506 [0,1,0,0,1,0|2,0,0]=4 26 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 3007509 [0,1,0,0,1,0|2,0,0]=4 27 B13R1.35 COC1=CC=C(NC(C)=O)C=C1N 3002523 [0,1,0,0,0,1|1,0,0]=3 28 B13R1.139 COC(=O)C1=CC=C(N=C=O)C=C1 3003024 [0,2,0,0,0,0|1,0,1]=4 29 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 4088007 [0,2,0,0,0,0|2,0,0]=4 30 B13R1.3088 CNC(=O)C1=CC=C(OC)C(N)=C1 4091058 [0,2,0,0,0,0|1,0,0]=3 31 B13R1.74 NCCOC1=CC=C(C(=O)O)C=C1 3002764 [0,2,0,0,0,0|0,0,0]=2 32 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 3020064 [0,1,0,1,0,0|1,0,1]=4 33 B13R2.430 O=C(O)C1=CN=C2CCCC2=C1 4401409 [0,1,0,1,0,0|2,0,0]=4 34 B9R1.35 CC1=CC(C(=O)O)=CS1 3002756 [1,0,0,0,1,0|1,0,0]=3 35 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [1,0,0,0,1,0|1,0,0]=3 36 B9R1.35 CC1=CNC(C(=O)O)=N1 4088804 [1,0,0,0,1,0|2,0,0]=4 37 B9R1.35 CC1=NC(C(=O)O)=CN1 4088219 [1,0,0,0,1,0|2,0,0]=4 38 B9R1.35 O=C(O)C1=CC(Br)=CS1 3013954 [1,0,0,0,1,0|2,0,0]=4 39 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 4036495 [0,0,0,0,1,1|1,0,0]=3 40 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4015123 [0,0,0,0,1,1|1,0,0]=3