0 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 4088176 [0,1,0,0,0,0|2,1,0]=4 6 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4030428 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.3 O=C(O)C1=NC=C(CO)N=C1 4077916 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4031422 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4089355 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4091150 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 4089123 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4089795 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.35 CC1=CC(C(=O)O)=CS1 3002756 [0,0,0,0,1,0|2,0,0]=3 15 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [0,0,0,0,1,0|2,0,0]=3 16 B9R1.35 CC1=CNC(C(=O)O)=N1 4088804 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.35 CC1=NC(C(=O)O)=CN1 4088219 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.35 O=C(O)C1=CC(Br)=CS1 3013954 [0,0,0,0,1,0|2,0,0]=3 19 B8R1.2 O=CC1=CC=NN=C1 4015481 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.3 CCC1=CC=C(C=O)N=C1 4019624 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.25 NCC1=C(O)C=C(O)C=C1 4089662 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.113 N=C(N)C1=CC(F)=CC=C1 4088368 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.31 CCC1=CC(C(=O)O)=CS1 3007503 [0,1,0,0,1,0|2,0,0]=4 27 B10R1.31 CCC1=CC=C(C(=O)O)N1 4043364 [0,1,0,0,1,0|2,0,0]=4 28 B10R1.31 COC1=CC=C(C(=O)O)O1 4001967 [0,1,0,0,1,0|1,0,0]=3 29 B10R1.31 NCC1=CC=C(C(=O)O)O1 4089807 [0,1,0,0,1,0|2,0,0]=4 30 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 3002457 [0,1,0,0,1,0|2,0,0]=4 31 B10R1.194 CC1=CC=C(C(=O)O)N1C 4028920 [0,1,0,0,1,0|2,0,0]=4 32 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4088669 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4089085 [0,2,0,0,0,0|2,0,0]=4 34 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4088767 [0,2,0,0,0,0|1,0,0]=3 35 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 3002371 [0,2,0,0,0,0|1,0,0]=3 36 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 4089273 [0,2,0,0,0,0|1,0,0]=3 37 B12R1.367 CNC(=O)C1=CC(C)=C(N)C=C1 4089172 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.1005 CC1=C(N)C(Br)=CC(C(=O)O)=C1 4029495 [0,2,0,0,0,0|1,0,0]=3 39 B12R1.1703 CCC(=O)C1=C(N)C=C(Br)C=C1 5216238 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O 3015284 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.1000 CC1=CC(=O)C(C(=O)O)=C(C)N1 4088153 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.1000 CC1=CC(Cl)=NC(C)=C1C(=O)O 4044225 [0,2,0,0,0,0|2,0,0]=4 43 B12R2.606 CC1=NC2=CC(O)=CC=C2N1 4088891 [0,0,0,1,0,1|2,0,0]=4 44 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 4087893 [0,0,0,1,0,1|2,0,0]=4 45 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 4006397 [0,0,0,1,0,1|2,0,0]=4 46 B8R1.1 CC1=CNC(C=O)=C1 4036719 [1,0,0,0,1,0|2,0,0]=4 47 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [1,0,0,0,0,1|2,0,0]=4