0 B10R1.39 CCC1=C(C(=O)O)C=NO1 4043511 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.39 CCC1=C(C(=O)O)N=CO1 4015604 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.39 CCC1=NNC=C1C(=O)O 4034364 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.39 CCN1C=NN=C1C(C)N 4016228 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.39 CCN1C=NN=C1C(C)N 4090174 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.39 CCN1N=CC=C1C(=O)O 4029462 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.39 CCN1N=CN=C1C(C)N 4027209 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.14 C(=O)C1=CN=CN1CC 4013830 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.14 CCN1C=CC=C1C#N 4043432 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.14 CCN1C=CN=C1C=O 4004954 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.14 CCN1C=CN=C1CCl 4016913 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.14 CCN1C=CN=C1CO 4033676 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.14 CCN1C=NC=C1CCl 4016580 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.14 CCN1C=NC=C1CCl 4090827 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.14 CCN1C=NC=C1CN 4014756 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.14 CCN1C=NC=C1CO 4016572 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.14 CCN1N=CC=C1C#N 4039759 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.14 CCN1N=CC=C1CO 4044211 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.14 CCN1N=CN=C1C=O 4028391 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.41 CC(=O)C1=C(C)N=CS1 4006179 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.41 CC(=O)C1=C(C)NN=C1 4017057 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.41 CC(=O)C1=CC=NN1C 4030373 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.41 CC(=O)C1=NC=NN1C 4026611 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.41 CC1=C(C(=O)O)C=CN1 4043878 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.41 CN1N=CC=C1C(=O)O 4401287 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.41 CN1N=CN=C1C(=O)O 4027955 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.59 CCN1N=CC=C1C(=O)NN 4036182 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.178 CC(C)N1N=CC=C1C(=O)O 7117667 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.178 O=C(O)C1=CC=CN1C(F)F 4045700 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.471 CCN1N=CC(Cl)=C1C(=O)O 4034488 [0,1,0,0,0,0|2,0,0]=3 30 B11R2.106 CC1NCCN2C=CC=C12 4101562 [0,0,0,1,0,0|1,0,1]=3 31 B11R2.106 O=C1CCCC2=C1C=NN2 4044496 [0,0,0,1,0,0|3,0,0]=4 32 B11R2.106 O=C1NN=CN2C=CC=C12 4025864 [0,0,0,1,0,0|2,0,1]=4 33 B11R1.53 CNC1=NC=CC=C1C(=O)O 4020830 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.53 NCC1=CC=CC=C1C(=O)O 4028019 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.57 CCC1=NC=CN1CC(C)=O 4028178 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.57 CCC1=NC=CN1CC(C)=O 4090393 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.11 CCN1C=CN=C1Br 4042873 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.11 CCN1N=CC=C1Br 4043527 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.7 CC(=O)C1=NC=CN1 4040695 [2,0,0,0,0,0|1,0,0]=3 40 B8R1.7 CC(=O)C1=NC=NN1 4040504 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.5 C#CCN1C=CC=C1C=O 4032125 [1,1,0,0,0,0|0,0,1]=3 42 B10R1.5 C=CCN1C=CC=C1C=O 4033041 [1,1,0,0,0,0|0,0,1]=3 43 B10R1.5 CCC1=NC=CN1CCCl 4028611 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.5 CCC1=NC=CN1CCCl 4088495 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.5 CCC1=NC=CN1CCN 4028299 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.5 CCC1=NC=CN1CCO 4028756 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.5 CCN1C=CN=C1CNC 4004957 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.5 CCN1C=CN=C1CNC 4087821 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.32 CCN1C=C(Br)C=C1C#N 4044960 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.257 CCN1C(C)=CC=C1C=O 4035394 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 4400228 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.59 CN1C=C(Cl)C=C1C(=O)O 4045702 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.149 CCC(=O)C1=CC=NN1C 4025891 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.149 CCC(=O)C1=NC=NN1C 4026613 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.149 CN1C=CC=C1\C(N)=N\O 4042959 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.149 CN1C=CN=C1C(=O)NN 4031467 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.149 CN1N=CC=C1C(=O)NN 4030120 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.192 CC(=O)C1=C(Br)C=NN1C 4030024 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.192 CC1=C(C(=O)O)N(C)C=N1 4030150 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.192 CN1N=CC(Br)=C1C(=O)O 4033665 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.192 CN1N=CC(Cl)=C1C(=O)O 4030210 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.192 CN1N=CC(I)=C1C(=O)O 4029192 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.192 CN1N=CC(N)=C1C(N)=O 4034516 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.194 CN1C(C(=O)O)=CN=C1Br 4038952 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.57 CCC1=NC(O)=CC=C1C(=O)O 4057597 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 3005255 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.279 CCOC1=CC(C(=O)O)=CC=C1 3002116 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.279 CCOC1=CC(C(C)=O)=CC=C1 3000300 [0,1,0,0,0,1|1,0,0]=3 69 B12R1.279 COCC1=CC(C(=O)O)=CC=C1 4027056 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.279 COCC1=NC(C(=O)O)=CC=C1 4044384 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.435 CNC(=O)C1=CC(CN)=CC=C1 4087924 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.453 CCC1=CC=C(N)C(C(=O)O)=C1 6689315 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.658 CCN1N=CC(Br)=C1C(=O)OC 4034835 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.498 CC1=CC=C(C(=O)O)N1C(F)F 4045616 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.16 CCNCC1=CC=C(C)O1 4030468 [0,0,1,1,0,0|0,0,2]=4 76 B10R1.16 CCNCC1=CC=C(C)O1 4089639 [0,0,1,1,0,0|0,0,2]=4 77 B10R1.61 CC(=O)C1=CC=CNC1=O 4048059 [0,0,1,1,0,0|1,0,1]=4 78 B10R2.7 C1=CN2CCNCC2=C1 4088055 [1,0,0,1,0,0|1,0,1]=4 79 B12R2.1081 O=C1NCCC2=CC=CC=C12 4045791 [0,0,0,1,0,1|2,0,0]=4 80 B12R2.202 CC1=CC2=C(CCCC2=O)O1 4004753 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.202 CC1=CC2=C(CCCC2=O)O1 4087819 [0,1,0,1,0,0|2,0,0]=4 82 B12R2.2365 CC1(C)NCCN2C=CC=C21 4035156 [0,1,0,1,0,0|1,0,1]=4 83 B12R2.315 CCC1NCCN2C=CC=C12 4003107 [0,1,0,1,0,0|1,0,1]=4 84 B12R2.315 CCC1NCCN2C=CC=C12 4089292 [0,1,0,1,0,0|1,0,1]=4 85 B12R2.1356 O=C(O)C1=CC=CN1C2CC2 4043147 [0,1,0,1,0,0|1,0,0]=3 86 B10R1.20 CNC1=NC=CC=C1C=O 4004446 [1,0,0,0,0,1|2,0,0]=4 87 B10R1.172 CCC1=NC(C=O)=CC=N1 4030595 [1,0,0,0,0,1|2,0,0]=4 88 B10R1.172 CSC1=CC=CC(C=O)=C1 4002911 [1,0,0,0,0,1|2,0,0]=4 89 B10R1.31 CCC1=CC=C(C(=O)O)S1 4402392 [0,0,0,0,1,1|2,0,0]=4 90 B10R1.31 CCN1C=C(C(=O)O)C=N1 4003135 [0,0,0,0,1,1|2,0,0]=4 91 B10R1.31 CCN1C=CC(C(=O)O)=N1 4029168 [0,0,0,0,1,1|1,0,0]=3