0 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 4013730 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CN=C1 4045120 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.45 CN(C)\C=C\C(=O)C1=CC=NC=C1 4045132 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.30 CCCCC(=O)C1=CC=CN=C1 4026601 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.30 CCCNC(C)C1=CC=CC=C1 4088824 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.30 CCCNC(C)C1=CC=CC=C1 6594188 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.30 NCCNC(=O)C1=CC=CN=C1 6762334 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.252 CC(C)CNCC1=CC=CC=C1 4014220 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.252 CC(C)CNCC1=CC=CC=C1 4087867 [1,0,0,0,0,0|1,0,1]=3 9 B12R1.252 CC(C)CNCC1=CC=CN=C1 4090219 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.252 CC(C)CNCC1=CC=CN=C1 5402676 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.252 CC(C)CNCC1=CC=NC=C1 4091094 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.252 CC(C)CNCC1=CC=NC=C1 9070906 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.252 CC(C)CNCC1=NC=CC=C1 4090205 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.252 CC(C)CNCC1=NC=CC=C1 9071496 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.252 CC(C)NCCC1=CC=CC=C1 4024832 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.252 CC(C)NCCC1=CC=CC=C1 4088731 [1,0,0,0,0,0|2,0,1]=4 17 B14R1.149 CC(C)CNC(=O)C1=CC(N)=CC=C1 6050973 [0,1,0,0,0,0|1,0,0]=2 18 B14R2.792 CC(NCC1CC1)C2=CC=CC=C2 4089337 [0,0,0,1,0,0|2,0,1]=4 19 B14R2.792 CC(NCC1CC1)C2=CC=CC=C2 6596951 [0,0,0,1,0,0|2,0,1]=4 20 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 4026598 [0,0,0,0,1,0|1,0,0]=2 21 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 4026599 [0,0,0,0,1,0|2,0,1]=4 22 B11R1.16 CCCC(N)C1=CC=CC=C1 4006320 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 4096885 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 4091353 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.28 NCCOCC1=CC=CC=C1 4028211 [2,0,0,0,0,0|1,0,1]=4 26 B11R1.28 NCCOCC1=CC=CC=C1 4088899 [2,0,0,0,0,0|1,0,1]=4 27 B13R1.17 CCCNC(=O)C1=CC=C(Br)C=C1 5346660 [1,1,0,0,0,0|1,0,0]=3 28 B13R1.17 CCCNC(=O)C1=CC=C(Cl)N=C1 9070662 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.17 CCCNC(=O)C1=CC=C(N)C=C1 4028212 [1,1,0,0,0,0|1,0,0]=3 30 B13R1.17 NCCNC(=O)C1=CC=C(F)C=C1 4108191 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.17 NCCNC(=O)C1=CC=C(F)C=C1 9071066 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.18 CCCNC(=O)C1=CC=CC(Br)=C1 5652998 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.674 CCCNC(=O)C1=C(Br)C=CC=C1 5343907 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.674 CCCNC(=O)C1=CC=CN=C1Cl 7228272 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.149 CC(C)CNCC1=CC=CC(Br)=C1 4088510 [1,1,0,0,0,0|1,0,1]=4 36 B13R1.149 CC(C)CNCC1=CC=CC(Br)=C1 9072042 [1,1,0,0,0,0|1,0,1]=4 37 B13R1.149 CC(C)CNCC1=CC=CC(Cl)=C1 4090144 [1,1,0,0,0,0|1,0,1]=4 38 B13R1.149 CC(C)CNCC1=CC=CC(Cl)=C1 9070594 [1,1,0,0,0,0|1,0,1]=4 39 B13R1.158 CC(C)CNCC1=C(Cl)C=CC=C1 4089432 [1,1,0,0,0,0|1,0,1]=4 40 B13R1.158 CC(C)CNCC1=C(Cl)C=CC=C1 9071072 [1,1,0,0,0,0|1,0,1]=4 41 B13R1.158 CC1=CC=CC=C1CNCC(C)C 4089220 [1,1,0,0,0,0|1,0,1]=4 42 B13R1.158 CC1=CC=CC=C1CNCC(C)C 9071984 [1,1,0,0,0,0|1,0,1]=4 43 B13R1.351 CC(C)C(C)NCC1=CC=CC=C1 4024847 [1,1,0,0,0,0|1,0,1]=4 44 B13R1.351 CC(C)C(C)NCC1=CC=CC=C1 4088480 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.513 CC(C)CNCC1=CC=C(Br)C=C1 4022324 [1,1,0,0,0,0|1,0,1]=4 46 B13R1.513 CC(C)CNCC1=CC=C(Br)C=C1 4090124 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.513 CC(C)CNCC1=CC=C(Cl)C=C1 4089671 [1,1,0,0,0,0|1,0,1]=4 48 B13R1.513 CC(C)CNCC1=CC=C(Cl)C=C1 5402655 [1,1,0,0,0,0|1,0,1]=4 49 B13R1.513 CC(C)CNCC1=CC=C(F)C=C1 4088276 [1,1,0,0,0,0|1,0,1]=4 50 B13R1.513 CC(C)CNCC1=CC=C(F)C=C1 5402696 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.513 CC1=CC=C(CNCC(C)C)C=C1 4089480 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.513 CC1=CC=C(CNCC(C)C)C=C1 9070565 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.718 CC(CO)CNCC1=CC=CC=C1 4088933 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.718 CC(CO)CNCC1=CC=CC=C1 9070552 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.129 CC(C)CNC(=O)C1=CC=C(Br)O1 5148120 [0,1,0,0,1,0|2,0,0]=4 56 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 4027161 [0,1,0,0,1,0|1,0,0]=3 57 B13R1.132 CC(C)NC(=O)C1=CC=C(O)C=C1 5218790 [0,1,0,0,1,0|1,0,0]=3 58 B13R1.147 CC(C)NC(=O)C1=CC(Cl)=NC=C1 4028648 [0,1,0,0,1,0|2,0,0]=4 59 B13R1.147 CC(C)NC(=O)C1=CC=CC(Br)=C1 5329413 [0,1,0,0,1,0|1,0,0]=3 60 B13R1.147 CC(C)NC(=O)C1=CC=CC(N)=C1 4028572 [0,1,0,0,1,0|1,0,0]=3 61 B13R1.147 CC(C)OC(=O)C1=CC=CC(N)=C1 4024620 [0,1,0,0,1,0|0,0,0]=2 62 B13R1.201 CC(C)NC(=O)C1=C(N)C=CC=C1 4028553 [0,1,0,0,1,0|1,0,0]=3 63 B13R1.201 CC(C)NC(=O)C1=CC=CC=C1Br 5328478 [0,1,0,0,1,0|1,0,0]=3 64 B15R1.124 CC1=C(C(=O)NCC(C)C)C=CC=C1N 6093203 [0,2,0,0,0,0|1,0,0]=3 65 B15R1.889 CC1=C(N)C=CC(C(=O)NCC(C)C)=C1 4028810 [0,2,0,0,0,0|1,0,0]=3 66 B15R1.889 CC1=CC=C(C(=O)NCC(C)C)C=C1N 4031085 [0,2,0,0,0,0|1,0,0]=3 67 B15R1.8018 CC(C)(C)CNC(=O)C1=CC=CC=C1O 7636412 [0,2,0,0,0,0|1,0,0]=3 68 B13R1.90 CC(C)COC1=CC=CC=C1C=O 3014087 [0,0,1,1,0,0|2,0,0]=4 69 B13R1.643 CC(C)COC1=CC(C=O)=CC=C1 4302410 [0,0,1,1,0,0|2,0,0]=4 70 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 4001187 [1,0,0,1,0,0|1,0,1]=4 71 B15R2.993 CC(C)CN1C(N)=NC2=C1C=CC=C2 7243652 [0,0,0,1,0,1|2,0,0]=4 72 B15R2.39201 CC(C)N1C=C(C=O)C2=CC=CC=C21 4002643 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 4026591 [0,0,0,0,2,0|1,0,0]=3 74 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4043717 [0,0,0,0,2,0|1,0,1]=4 75 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4108973 [0,0,0,0,2,0|1,0,1]=4 76 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 4100427 [0,0,0,0,2,0|1,0,1]=4 77 B13R1.337 CC(C)NCCCC1=CC=CC=C1 4024826 [1,0,0,0,0,1|1,0,1]=4 78 B13R1.337 CC(C)NCCCC1=CC=CC=C1 4089458 [1,0,0,0,0,1|1,0,1]=4 79 B13R1.337 CC(C)NCCOC1=CC=CC=C1 4024827 [1,0,0,0,0,1|2,0,0]=4 80 B13R1.337 CC(C)NCCOC1=CC=CC=C1 4089712 [1,0,0,0,0,1|2,0,0]=4 81 B13R1.337 CC(C)NCCSC1=CC=CC=C1 9071613 [1,0,0,0,0,1|2,0,0]=4