0 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 3002152 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4045598 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.113 N=C(N)C1=CC(F)=CC=C1 4088368 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.2 O=CC1=CC(O)=NC=N1 4110682 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4091150 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 4089123 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=N1 4019250 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.167 NC(=O)C1=C(Br)C=CC(N)=C1 4089536 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 4036495 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4015123 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.35 CC1=CC(C(=O)O)=CS1 3002756 [0,0,0,0,1,0|2,0,0]=3 18 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [0,0,0,0,1,0|2,0,0]=3 19 B9R1.35 CC1=CNC(C(=O)O)=N1 4088804 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.35 CC1=NC(C(=O)O)=CN1 4088219 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.35 O=C(O)C1=CC(Br)=CS1 3013954 [0,0,0,0,1,0|2,0,0]=3 22 B9R1.41 CC1=C(C(=O)O)N=CS1 4043076 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.41 CC1=C(C(=O)O)OC=N1 4401487 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.41 CC1=C(C(=O)O)SC=C1 3020058 [0,0,0,0,1,0|2,0,0]=3 25 B9R1.41 CN1C=CC=C1C(=O)O 3020106 [0,0,0,0,1,0|2,0,0]=3 26 B9R1.41 NC(=O)C1=C(N)SC=C1 3014696 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.41 O=C(O)C1=C(I)C=NN1 3001905 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 4079088 [0,0,0,0,0,1|2,0,0]=3 29 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4027438 [0,0,0,0,0,1|3,0,0]=4 30 B8R1.2 O=CC1=CC=NN=C1 4015481 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.172 NCC1=CC=CC(CO)=C1 4088760 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.31 CCC1=CC(C(=O)O)=CS1 3007503 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.31 CCC1=CC=C(C(=O)O)N1 4043364 [0,1,0,0,1,0|2,0,0]=4 40 B10R1.31 COC1=CC=C(C(=O)O)O1 4001967 [0,1,0,0,1,0|1,0,0]=3 41 B10R1.31 NCC1=CC=C(C(=O)O)O1 4089807 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 3002457 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.194 CC1=CC=C(C(=O)O)N1C 4028920 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.39 O=C(O)C1=C(CBr)OC=C1 4104018 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.149 COC(=O)C1=C(N)SC=C1 3001619 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 3003097 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.101 CC1=CC(CC(=O)O)=CC(C)=N1 4054900 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 4090636 [0,1,0,0,0,1|0,0,0]=2 49 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4088767 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.367 CNC(=O)C1=CC(C)=C(N)C=C1 4089172 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.1005 CC1=C(N)C(Br)=CC(C(=O)O)=C1 4029495 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.24 NNC(=O)C1=CC=CC(Cl)=C1Cl 3015281 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.354 CNC(=O)C1=C(F)C=CC(N)=C1 4089864 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=C1 4088127 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.358 COC(=O)C1=CC(F)=CC(N)=C1 4141938 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.435 CNC(=O)C1=CC(CN)=CC=C1 4032830 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.440 COC1=C(O)C(C(=O)O)=NC=C1 4063258 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.894 CC1=C(C(=O)O)C(=O)N(C)C=C1 4110714 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.279 CCCC1=NC=CC(C(=O)O)=C1 4041134 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.279 COCC1=NC(C(=O)O)=CC=C1 4089419 [0,2,0,0,0,0|1,0,0]=3 61 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 4090979 [0,0,0,1,0,1|2,0,0]=4 62 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 4088493 [0,0,0,1,0,1|2,0,0]=4 63 B12R2.606 CC1=NC2=CC(O)=CC=C2N1 4088891 [0,0,0,1,0,1|2,0,0]=4 64 B12R2.606 ClC1=CC=C2OC(Cl)=NC2=C1 3003003 [0,0,0,1,0,1|2,0,0]=4 65 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 4087893 [0,0,0,1,0,1|2,0,0]=4 66 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 4006397 [0,0,0,1,0,1|2,0,0]=4 67 B12R2.132 NC1=CC2=C(C=C1)NN=C2O 4088362 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.1 CC1=CNC(C=O)=C1 4036719 [1,0,0,0,1,0|2,0,0]=4 69 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [1,0,0,0,0,1|2,0,0]=4