0 B12R1.125 C=C(C)COC1=CC=CC=C1N 4023577 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 C=C(C)COC1=CC=CC=C1N 4089397 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.125 CC(C)COC1=C(N)C=CC=C1 4017584 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.125 CC(C)COC1=CC=CC=C1O 7365290 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 4024824 [0,0,0,0,0,0|2,1,0]=3 5 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 4024825 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 4091077 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 4017385 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 4090531 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.125 CC1=C(OCC(C)N)C=CC=C1 4026980 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.125 CC1=CC=CN=C1CNC(C)C 4010342 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.17 CCCSC1=CC=CC=C1N 4088576 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.17 CCCSC1=CC=CC=C1N 9070713 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.17 CCNCC1=CC=CC=C1C 4028579 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.17 CCNCC1=CC=CC=C1Cl 4024924 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.17 CCNCC1=CC=CC=C1Cl 4089658 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.17 COCOC1=CC=CC=C1Br 4003017 [1,0,0,0,0,0|2,1,0]=4 17 B11R1.17 NCCCC1=C(F)C=CC=C1 4019782 [1,0,0,0,0,0|2,1,0]=4 18 B11R1.17 NCCCC1=CC=CC=C1Cl 4087888 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.17 NCCOC1=CC=CC=C1Cl 4026894 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.91 CC(C)NCC1=CC=CN=C1 4088009 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.91 CC(C)NCC1=CC=CN=C1 5402672 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.90 CC(C)COC1=CC=CC=C1C=O 3014087 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.90 COC1=CC=CC=C1CNC(C)C 4022334 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.90 COC1=CC=CC=C1CNC(C)C 4088166 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.157 CC(C)(C)NCC1=CC=CC=C1F 4088913 [0,1,0,0,0,0|2,1,0]=4 27 B13R1.157 CC(C)(C)NCC1=CC=CC=C1F 9071198 [0,1,0,0,0,0|2,1,0]=4 28 B13R1.202 CN(C)C(=O)CC1=CC=CC=C1N 4032547 [0,1,0,0,0,0|1,0,1]=3 29 B13R1.528 CCC(C)NCC1=C(Br)C=CC=C1 4024884 [0,1,0,0,0,0|2,1,0]=4 30 B13R1.528 CCC(C)NCC1=C(C)C=CC=C1 4024882 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.528 CCC(C)NCC1=C(C)C=CC=C1 4088663 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.528 CCC(C)NCC1=C(Cl)C=CC=C1 4024886 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.528 CCC(C)NCC1=C(Cl)C=CC=C1 4089431 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 4032084 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.222 CC1(C)CC2=CC=CC=C2CN1 9071824 [0,0,0,1,0,0|3,0,0]=4 36 B13R2.3587 ClC1=CC=CC=C1CNC2CC2 4089461 [0,0,0,1,0,0|2,0,0]=3 37 B13R2.3587 ClC1=CC=CC=C1CNC2CC2 9071411 [0,0,0,1,0,0|2,0,0]=3 38 B11R1.86 CC(C)OC1=CC=CC=C1N 4003147 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.86 CC(C)OC1=CC=CC=C1N 4089404 [0,0,0,0,1,0|3,0,0]=4 40 B11R1.86 CC(C)SC1=CC=CC=C1N 9071574 [0,0,0,0,1,0|3,0,0]=4 41 B11R1.86 CN(C)CC1=CC=CC=C1N 4016941 [0,0,0,0,1,0|1,0,0]=2 42 B11R1.86 CN(C)CC1=CC=CC=C1N 4089185 [0,0,0,0,1,0|1,0,0]=2 43 B13R1.158 CC(C)CNCC1=C(Cl)C=CC=C1 4089432 [0,0,0,0,0,1|1,0,0]=2 44 B13R1.158 CC(C)CNCC1=C(Cl)C=CC=C1 9071072 [0,0,0,0,0,1|1,0,0]=2 45 B13R1.158 CC1=CC=CC=C1CNCC(C)C 4089220 [0,0,0,0,0,1|2,0,0]=3 46 B13R1.158 CC1=CC=CC=C1CNCC(C)C 9071984 [0,0,0,0,0,1|2,0,0]=3 47 B13R1.158 CN(C)CCOC1=CC=CC=C1Br 7346284 [0,0,0,0,0,1|0,1,0]=2 48 B10R1.4 CC1=C(CNN)C=CC=C1 4015027 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.4 CCSC1=CC=CC=C1N 4091232 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.4 CCSC1=CC=CC=C1N 9071805 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.4 CNCC1=C(C)C=NC=C1 4010336 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.4 CNCC1=C(C)C=NC=C1 4089764 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.4 CNCC1=CC=CC=C1C 4028163 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.4 CNCC1=CC=CN=C1Cl 4019511 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.4 CNCC1=CC=CN=C1Cl 4090749 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.4 CNCC1=NC=CC=C1C 4003220 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.4 NNCC1=C(Cl)C=CC=C1 4041333 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.17 CNCCC1=CC=NC=C1 4004718 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.17 CNCCC1=CC=NC=C1 4087817 [2,0,0,0,0,0|1,0,0]=3 60 B12R1.69 CCCOC1=C(Cl)C=C(N)C=C1 4028610 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.267 C#CCNCC1=CC=CC=C1Cl 4088396 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.267 C#CCNCC1=CC=CC=C1Cl 9070595 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.267 C=CCNCC1=CC=CC=C1Cl 9071870 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.267 CCCNCC1=CC=CC=C1C 4088341 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.267 CCCNCC1=CC=CC=C1C 9070943 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.267 CCCNCC1=CC=CC=C1Cl 4024925 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.267 CCCNCC1=CC=CC=C1Cl 4089657 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.267 CCCNCC1=CC=CC=C1F 4090232 [1,1,0,0,0,0|1,1,0]=4 69 B12R1.267 CCCNCC1=CC=CC=C1F 9070416 [1,1,0,0,0,0|1,1,0]=4 70 B12R1.267 COCCOC1=C(N)C=CC=C1 4003843 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.267 COCCOC1=C(N)C=CC=C1 4087799 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.267 NCCOCC1=CC=CC=C1Cl 6918179 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 4004511 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 4090043 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.371 CNC(=O)CC1=CC=CC=C1N 4032938 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.1631 CCCOC1=C(N)C=CC=C1Cl 4027047 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.21 CC(C)COC1=CC=C(N)C=C1 4017585 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 4022320 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 4022326 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 4089158 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 4089696 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 5402692 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 4017387 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 4026599 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 4017386 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 4088712 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 4014713 [0,1,0,0,1,0|1,0,0]=3 88 B12R1.124 CN(C)C(=O)C1=CC=CC=C1Br 5346231 [0,1,0,0,1,0|0,1,1]=4 89 B12R1.124 CN(C)C(=O)C1=CC=CC=C1N 5745660 [0,1,0,0,1,0|1,0,1]=4 90 B12R1.124 CN(C)C(=O)C1=CC=CC=C1O 5218683 [0,1,0,0,1,0|1,0,1]=4 91 B12R1.124 CN(C)C(=O)C1=CC=CN=C1Cl 9070951 [0,1,0,0,1,0|1,0,1]=4 92 B12R1.233 CC(C)OC1=C(Cl)C=C(N)C=C1 4026782 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.1009 CC(C)OC1=C(N)C=CC=C1Cl 4027100 [0,1,0,0,1,0|2,0,0]=4 94 B14R1.96 CC(C)CCOC1=CC=CC=C1C=O 3014089 [0,1,0,0,0,1|2,0,0]=4 95 B14R1.96 CN(C)CCOC1=C(C=O)C=CC=C1 4089157 [0,1,0,0,0,1|1,0,0]=3 96 B14R1.96 CN(C)CCOC1=C(C=O)C=CC=C1 9070947 [0,1,0,0,0,1|1,0,0]=3 97 B14R1.161 CN(C)C(=O)CCC1=C(N)C=CC=C1 4033788 [0,1,0,0,0,1|1,0,0]=3 98 B14R1.337 CN(C)CC(=O)NC1=CC=CC=C1N 4028441 [0,1,0,0,0,1|1,0,1]=4 99 B12R2.1081 ClC1=C2CCNCC2=CC=C1 4002741 [1,0,0,1,0,0|0,0,0]=2 100 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 4002962 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.29496 CC1(C)CC(N)C2=CC=CC=C2O1 4011214 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.717 FC1=C(CNC2CC2)C(Cl)=CC=C1 4089322 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.717 FC1=C(CNC2CC2)C(Cl)=CC=C1 9071329 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4102676 [0,0,0,0,2,0|2,0,0]=4 105 B10R1.61 CN(C)C1=C(Cl)N=CC=N1 4034841 [0,0,0,0,2,0|2,0,0]=4 106 B10R1.61 CN(C)C1=C(N)C=CC=C1 5657224 [0,0,0,0,2,0|1,0,0]=3 107 B10R1.61 CN(C)C1=NC=CC=C1N 4036131 [0,0,0,0,2,0|2,0,0]=4 108 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 4107864 [0,0,0,0,2,0|2,0,0]=4 109 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 4096051 [0,0,0,0,2,0|2,0,0]=4 110 B14R1.159 CC1=CC=CC=C1CNCCN(C)C 4088355 [0,0,0,0,0,2|1,0,0]=3 111 B14R1.159 CC1=CC=CC=C1CNCCN(C)C 9070704 [0,0,0,0,0,2|1,0,0]=3