0 B12R1.30 CCCCC(=O)C1=CC=CN=C1 4026601 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.30 CCCCC(N)C1=CC=CN=C1 4026602 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.30 CCCNC(C)C1=CC=CC=C1 4088824 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.30 CCCNC(C)C1=CC=CC=C1 6594188 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.30 NCCNC(=O)C1=CC=CN=C1 6762334 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.16 CC(CCN)C1=CC=CC=C1 4004088 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.16 CCCC(N)C1=CC=CC=C1 4006320 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 4096885 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 4091353 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.16 CCNC(C)C1=CC=CC=C1 6592586 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.16 CN(CCN)C1=CC=CC=C1 4027439 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.28 CCCNCC1=CC=CN=C1 9071848 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 CCCNCC1=CC=NC=C1 9070548 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 CCCNCC1=NC=CC=C1 9071343 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 CNCCOC1=CC=CC=C1 4013938 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.28 NCCCOC1=CC=CC=C1 4018151 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.28 NCCCSC1=CC=CC=C1 4026933 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.28 NCCCSC1=CC=CC=C1 4110622 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.28 NCCOCC1=CC=CC=C1 4028211 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.28 NCCOCC1=CC=CC=C1 4088899 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.28 NCCSCC1=CC=CC=C1 4040201 [1,0,0,0,0,0|1,1,1]=4 21 B11R1.28 NCCSCC1=CC=CC=C1 4089858 [1,0,0,0,0,0|1,1,1]=4 22 B13R1.17 C=CCNC(=O)C1=CC=C(Br)C=C1 6235529 [0,1,0,0,0,0|1,0,2]=4 23 B13R1.17 CCCNC(=O)C1=CC=C(Br)C=C1 5346660 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.17 CCCNC(=O)C1=CC=C(Cl)N=C1 9070662 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.17 CCCNC(=O)C1=CC=C(N)C=C1 4028212 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.17 NCCNC(=O)C1=CC=C(F)C=C1 4108191 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.17 NCCNC(=O)C1=CC=C(F)C=C1 9071066 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.18 CCCNC(=O)C1=CC=CC(Br)=C1 5652998 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.24 CC(NCCCO)C1=CC=CC=C1 5116281 [0,1,0,0,0,0|2,0,1]=4 30 B13R1.24 CN(CCCCO)C1=CC=CC=C1 4024933 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.674 CCCNC(=O)C1=C(Br)C=CC=C1 5343907 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.674 CCCNC(=O)C1=CC=CN=C1Cl 7228272 [0,1,0,0,0,0|2,0,0]=3 33 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 4036679 [0,0,0,1,0,0|2,0,1]=4 34 B13R2.371 CC1=NNC(=O)C2=CC=CC=C21 4036366 [0,0,0,1,0,0|2,0,1]=4 35 B13R2.2931 CCN1N=C(N)C2=C1C=CC=C2 4027795 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.17 ICCOC1=CC=CC=C1 5101649 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.17 NCCSC1=CC=CC=C1 4087772 [2,0,0,0,0,0|1,1,0]=4 39 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.16 CCCC(O)C1=CC=C(Br)C=C1 5101703 [1,1,0,0,0,0|0,0,2]=4 41 B12R1.16 CCNC(=O)C1=CC=C(Br)C=C1 5353450 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 7114772 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.16 CCNC(=O)C1=CN=C(Cl)C=C1 4028359 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 9071337 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.17 CCNC(=O)C1=CC(Cl)=NC=C1 4026819 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.17 CCNC(=O)C1=CC=CC(Br)=C1 5664757 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.17 CCNC(=O)C1=CC=CC(N)=C1 4028364 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 3002136 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 4026598 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 5348641 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 4027146 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 4022327 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 4089192 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.1 CCCNCC1=CC=C(F)C=C1 4088361 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.1 CCCNCC1=CC=C(F)C=C1 9070448 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 9070890 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.8 CCCNCCC1=CC=CC=C1 6382736 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.8 CCNCCCC1=CC=CC=C1 4024844 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.8 CCNCCOC1=CC=CC=C1 4088022 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.8 CCNCCOC1=CC=CC=C1 9070430 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.8 CCNC\C=C\C1=CC=CC=C1 4090896 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.8 CCNC\C=C\C1=CC=CC=C1 9070638 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.8 CNCCCOC1=CC=CC=C1 9071185 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.8 CNCCCSC1=CC=CC=C1 4089624 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.8 CNCCCSC1=CC=CC=C1 9070836 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.8 OCCCNCC1=CC=CC=C1 5116282 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.28 CCCCOC1=CC=CC(N)=C1 4023583 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.28 CCCNCC1=CC=CC(Br)=C1 4090151 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.28 CCCNCC1=CC=CC(Br)=C1 9071661 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 4091039 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 9071258 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.252 CC(C)CNCC1=CC=CC=C1 4014220 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.252 CC(C)CNCC1=CC=CC=C1 4087867 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.267 CCCNCC1=CC=CC=C1C 4088341 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.267 CCCNCC1=CC=CC=C1C 9070943 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.267 CCCNCC1=CC=CC=C1Cl 4024925 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.267 CCCNCC1=CC=CC=C1Cl 4089657 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.267 CCCNCC1=CC=CC=C1F 4090232 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.267 CCCNCC1=CC=CC=C1F 9070416 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.267 NCCOCC1=CC=CC=C1Cl 6918179 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.29 CCCNC(=O)C1=CC=C(Br)O1 7232653 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.29 CCCNC(=O)C1=CC=C(Br)S1 9071929 [0,1,0,0,1,0|2,0,0]=4 83 B14R1.33 CCCCC(=O)NC1=CC=C(N)C=C1 4022600 [0,1,0,0,0,1|1,0,0]=3 84 B14R1.33 CCCCC(=O)NC1=CC=C(O)C=C1 4021775 [0,1,0,0,0,1|1,0,0]=3 85 B14R1.34 CCCCC(=O)NC1=CC=CC(O)=C1 4021780 [0,1,0,0,0,1|1,0,0]=3 86 B14R1.19 COCCNC(=O)C1=CC=C(N)C=C1 4028658 [0,2,0,0,0,0|1,0,0]=3 87 B14R1.125 CCCNS(=O)(=O)C1=CC=C(N)C=C1 7993027 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.941 CCCNC(=O)C1=CC(C)=C(N)C=C1 4028453 [0,2,0,0,0,0|1,0,0]=3 89 B14R1.941 CCCNC(=O)C1=CC(N)=C(C)C=C1 4028171 [0,2,0,0,0,0|1,0,0]=3 90 B14R1.941 CCCNC(=O)C1=CC(N)=C(C)C=C1 4089373 [0,2,0,0,0,0|1,0,0]=3 91 B14R1.941 CCCNC(=O)C1=CC(N)=C(Cl)C=C1 4027384 [0,2,0,0,0,0|1,0,0]=3 92 B14R1.2523 CCCNC(=O)C1=C(Cl)C=C(N)C=C1 4027792 [0,2,0,0,0,0|1,0,0]=3 93 B14R1.149 CC(C)CNC(=O)C1=CC(N)=CC=C1 6050973 [0,2,0,0,0,0|1,0,0]=3 94 B14R1.918 CCCNC(=O)C1=C(Cl)C=CC(N)=C1 4028339 [0,2,0,0,0,0|1,0,0]=3 95 B14R1.918 CCCNC(=O)C1=C(Cl)C=CC(N)=C1 4089971 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.121 CCCOC1=CC=CC=C1C=O 3005414 [0,0,1,1,0,0|2,0,0]=4 97 B12R1.382 CCCOC1=CC(C=O)=CC=C1 3005062 [0,0,1,1,0,0|2,0,0]=4 98 B12R2.1081 O=C1NCCC2=CC=CC=C12 4045791 [1,0,0,1,0,0|1,0,0]=3 99 B12R2.2075 O=C(C1=CC=CN=C1)C2CC2 4026593 [1,0,0,1,0,0|1,0,0]=3 100 B14R2.517 CCCN1C2=CC=CC=C2N=C1S 4009523 [0,0,0,1,0,1|1,1,0]=4 101 B14R2.517 NCCC1C(=O)NC2=C1C=CC=C2 4108183 [0,0,0,1,0,1|2,0,0]=4 102 B14R2.8 BrCC1CC(C2=CC=CC=C2)=NO1 4003055 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.9036 O=C(NC1CC1)C2=CC(Cl)=NC=C2 4028250 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.9036 O=C(NC1CC1)C2=CC=CC(Br)=C2 7223774 [0,1,0,1,0,0|1,0,0]=3 105 B14R2.510 CCCN1N=C(N)C2=C1C=CC=C2 4027697 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.19587 CCN1C=C(C=O)C2=CC=CC=C21 4002644 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.4633 NC1=C(C(=O)NC2CC2)C=CC=C1 4027693 [0,1,0,1,0,0|1,0,0]=3