0 B12R1.27 CCC(=O)NNC1=CC=CC=C1 BB01-7426 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BB17-0801 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.27 NNC(=O)COC1=CC=CC=C1 BB12-2509 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.27 NNC(=O)CSC1=NC=CC=C1 BB12-2576 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.28 S=C=NCCC1=CC=CC=C1 BB54-2698 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.91 CC(N)COC1=CC=CC=C1 BB58-0599 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 N=C(N)CCC1=CC=CC=C1 BB57-1742 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.91 N=C(N)OCC1=CC=CC=C1 BB57-6018 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.91 N=C(N)SCC1=CC=CC=C1 BB57-2949 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB01-6935 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.91 NC(=S)CCC1=NC=CC=C1 BB54-4361 [1,0,0,0,0,0|2,1,0]=4 11 B11R1.91 NC(=S)COC1=CC=CC=C1 BB20-4704 [1,0,0,0,0,0|2,1,0]=4 12 B11R1.91 O=C(Cl)CSC1=NC=CC=C1 BB12-3011 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB55-0680 [1,0,0,0,0,0|0,0,2]=3 14 B11R1.91 O=C(O)CCC1=NC=CN=C1 BB58-4745 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.91 O=C(O)CNC1=NC=CC=N1 BB58-4446 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.91 O=C(O)CSC1=CC=CC=C1 BB54-0245 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB05-0492 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 BB26-0866 [0,1,0,0,0,0|0,0,0]=1 20 B13R1.14 CC1=CC=C(NCC(=O)NN)C=C1 BB17-2395 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 BB32-3697 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 BB54-2897 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.14 NNC(=O)CNC1=CC=C(Cl)C=C1 BB12-2774 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.14 NNC(=O)CNC1=CC=C(F)C=C1 BB12-2776 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.14 NNC(=O)CNC1=CC=C(I)C=C1 BB12-2570 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.14 NNC(=O)COC1=CC=C(I)C=C1 BB17-2214 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.14 O=C(CBr)NCC1=CC=C(Br)C=C1 BB17-0264 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.15 CC1=CC(NCC(=O)NN)=CC=C1 BB12-2537 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.15 COC(=O)CNC1=CC=CC(Br)=C1 BB53-4201 [0,1,0,0,0,0|1,0,0]=2 30 B13R1.15 NNC(=O)CNC1=CC=CC(Br)=C1 BB17-2411 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.15 O=C(CBr)NCC1=CC=CC(Cl)=C1 BB17-0256 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 BB05-2779 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 BB12-1367 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 BB53-1853 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 BB01-7089 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.254 CCS(=O)(=O)NCC1=CC=CC=C1 BB17-1508 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 BB12-2929 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.528 CC1=C(NCC(=O)NN)C=CC=C1 BB12-2612 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.528 O=C(CCl)NCC1=CC=CC=C1Cl BB01-5139 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.528 O=C(CCl)NCC1=CC=CC=C1F BB55-1853 [0,1,0,0,0,0|3,0,0]=4 41 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 BB54-5037 [0,0,0,1,0,0|1,0,2]=4 42 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 BB31-5154 [0,0,0,1,0,0|1,0,0]=2 43 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 BB54-0220 [0,0,0,1,0,0|3,0,0]=4 44 B13R2.10 O=C1NC(C2=CC=CC=C2)=NO1 BB54-4670 [0,0,0,1,0,0|2,0,1]=4 45 B13R2.33 O=C1COC2=CC=CC=C2CN1 BB57-5539 [0,0,0,1,0,0|2,0,0]=3 46 B11R1.25 COC(=O)CCN1C=CN=C1 BB58-0776 [0,0,0,0,1,0|2,0,0]=3 47 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,0,0,0,1,0|2,0,1]=4 48 B11R1.40 NNC(=O)CC1=NC=CC=C1 BB12-2162 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.40 NNC(=O)NC1=CC=CC=C1 BB55-2196 [0,0,0,0,1,0|3,0,0]=4 50 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BB53-1939 [0,0,0,0,1,0|3,0,0]=4 51 B11R1.40 O=C(CBr)NC1=CC=CC=C1 BB57-1136 [0,0,0,0,1,0|3,0,0]=4 52 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,0,0,0,1,0|3,0,0]=4 53 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 BB54-0112 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.17 OCCCC1=CC=NC=C1 BB57-6720 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.1 COCCNC1=CC=C(N)C=C1 BB17-2677 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.1 COCCOC1=CC=C(N)C=C1 BB55-3016 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.28 COCCOC1=CC=CC(N)=C1 BB55-3018 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.252 CC(=O)NCCC1=CC=CC=C1 BB01-7779 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 BB53-1661 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.21 CC1=CC=C(CNC(N)=O)C=C1 BB01-7609 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB12-1839 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.21 NC(=O)CSC1=CC=C(N)C=C1 BB58-2936 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 BB01-7619 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB05-4599 [1,1,0,0,0,0|0,0,0]=2 66 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.21 O=C(Cl)COC1=CC=C(Br)C=C1 BB55-5587 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 BB54-2898 [1,1,0,0,0,0|0,0,0]=2 69 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 BB58-0806 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 BB58-0803 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BB17-2516 [1,1,0,0,0,0|0,0,2]=4 72 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 BB54-3217 [1,1,0,0,0,0|0,0,0]=2 73 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O BB01-8382 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BB55-4698 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [1,1,0,0,0,0|0,0,1]=3 76 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 BB58-0616 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB54-0376 [1,1,0,0,0,0|0,0,0]=2 79 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 BB54-0417 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.125 CC(=O)C#CC1=CC=CC=C1C BB58-2899 [1,1,0,0,0,0|0,0,2]=4 81 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [1,1,0,0,0,0|0,0,2]=4 82 B12R1.125 CC1=CC=CC=C1NCC(=O)O BB12-2586 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl BB55-5582 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.125 CC1=CC=CC=C1OCC(=O)O BB01-6379 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 BB55-5589 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.125 O=C(O)CCN1C=CC=CC1=O BB57-2035 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 BB58-0801 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 BB12-2037 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 BB12-2587 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.226 CC1=CC(OCC(=O)Cl)=CC=C1 BB55-5583 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.226 NC(=O)NCC1=CC(F)=CC=C1 BB01-7606 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [1,1,0,0,0,0|0,0,0]=2 93 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 BB55-3550 [1,1,0,0,0,0|0,0,2]=4 94 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 BB54-1054 [1,1,0,0,0,0|0,0,0]=2 95 B12R1.226 O=C(O)CNC1=CC(Cl)=CC=C1 BB58-0802 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BB17-0708 [1,1,0,0,0,0|0,0,2]=4 97 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 BB56-2320 [1,1,0,0,0,0|0,0,2]=4 98 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 BB54-4260 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 BB57-6801 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 BB57-3597 [0,1,0,0,1,0|1,0,1]=4 101 B12R1.15 COC(=O)CC(=O)C1=CSC=C1 BB57-3596 [0,1,0,0,1,0|1,0,1]=4 102 B12R1.15 COC(=O)CC(N)C1=CC=CS1 BB32-1198 [0,1,0,0,1,0|1,0,0]=3 103 B12R1.26 COC(=O)CCC1=CC(Br)=NO1 BB55-8879 [0,1,0,0,1,0|2,0,0]=4 104 B12R1.26 COC(=O)CCC1=CSC(N)=N1 BB58-1165 [0,1,0,0,1,0|2,0,0]=4 105 B12R1.26 COC(=O)CCN1C=C(Br)C=N1 BB55-6297 [0,1,0,0,1,0|2,0,0]=4 106 B12R1.26 COC(=O)CCN1C=C(C)C=N1 BB05-5034 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.26 COC(=O)CCN1C=C(Cl)C=N1 BB05-1604 [0,1,0,0,1,0|2,0,0]=4 108 B12R1.26 COC(=O)CCN1C=C(I)C=N1 BB57-3850 [0,1,0,0,1,0|2,0,0]=4 109 B12R1.26 COC(=O)CCN1C=CC(C)=N1 BB05-1597 [0,1,0,0,1,0|2,0,0]=4 110 B12R1.51 CCOC(=O)CCN1C=CC=N1 BB05-3519 [0,1,0,0,1,0|2,0,0]=4 111 B12R1.108 COC(=O)C(C)CN1C=CC=N1 BB05-3563 [0,1,0,0,1,0|2,0,0]=4 112 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BB17-0336 [0,1,0,0,1,0|2,0,0]=4 113 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 BB01-6281 [0,1,0,0,1,0|0,0,0]=2 114 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 BB55-1696 [0,1,0,0,1,0|2,0,0]=4 115 B12R1.50 COC(=O)CC1=NC(Cl)=CC=C1 BB58-5323 [0,1,0,0,1,0|1,0,0]=3 116 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 BB05-2783 [0,1,0,0,0,1|1,0,1]=4 117 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 BB53-1852 [0,1,0,0,0,1|1,0,0]=3 118 B14R1.756 CC(SCC1=CC=CC=C1)C(=O)NN BB57-4787 [0,1,0,0,0,1|2,0,0]=4 119 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 BB32-0277 [0,2,0,0,0,0|0,0,0]=2 120 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 BB01-4761 [0,2,0,0,0,0|1,0,1]=4 121 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 BB55-7499 [0,2,0,0,0,0|0,0,0]=2 122 B14R1.502 CCOC(=O)CNC1=CC=C(C)C=C1 BB12-2898 [0,2,0,0,0,0|1,0,0]=3 123 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 BB12-2773 [0,2,0,0,0,0|1,0,0]=3 124 B14R1.502 CCOC(=O)CNC1=CC=C(F)C=C1 BB58-0804 [0,2,0,0,0,0|1,0,0]=3 125 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 BB05-4908 [0,2,0,0,0,0|1,0,0]=3 126 B14R1.32 CCOC(=O)CNC1=CC(C)=CC=C1 BB12-2557 [0,2,0,0,0,0|1,0,0]=3 127 B14R1.135 COC(=O)[C@H](N)CC1=CC(C)=CC=C1 BB20-3427 [0,2,0,0,0,0|0,0,0]=2 128 B14R1.598 CCOC(=O)CNC1=C(C)C=CC=C1 BB12-2889 [0,2,0,0,0,0|1,0,0]=3 129 B14R1.598 CCOC(=O)COC1=CC=CN=C1Br BB12-1853 [0,2,0,0,0,0|2,0,0]=4 130 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 BB54-0159 [0,2,0,0,0,0|2,0,0]=4 131 B14R1.1031 COC(=O)\C(=C\C1=CC=CC=C1)CN BB58-4486 [0,2,0,0,0,0|0,0,2]=4 132 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB54-4953 [1,0,0,1,0,0|1,0,1]=4 133 B12R2.24 NC1CCC2=C(C=CC=C2)C1 BB57-6610 [1,0,0,1,0,0|1,0,1]=4 134 B12R2.24 O=C1CSC2=CC=CC=C2N1 BB20-4697 [1,0,0,1,0,0|2,0,0]=4 135 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 BB55-4973 [0,0,0,1,0,1|2,0,0]=4 136 B14R2.68 O=C1CCC(C2=CC=CC=C2)CN1 BB55-8895 [0,0,0,1,0,1|1,0,0]=3 137 B14R2.95 CCC(=O)N1CCC2=CC=CC=C21 BB01-6290 [0,0,0,1,0,1|1,0,0]=3 138 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 BB01-7407 [0,0,0,1,0,1|0,0,2]=4 139 B14R2.95 COC(=O)C1=NNC2=CC=CC=C21 BB56-1907 [0,0,0,1,0,1|1,0,1]=4 140 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 BB05-0290 [0,0,0,1,0,1|2,0,0]=4 141 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 BB55-1915 [0,0,0,1,0,1|2,0,0]=4 142 B14R2.4514 CC1C(=O)NCC1C2=CC=CC=C2 BB58-3083 [0,0,0,1,0,1|1,0,0]=3 143 B14R2.972 COC(=O)C1CC2=CC=CC=C2C1 BB20-1341 [0,1,0,1,0,0|0,0,0]=2 144 B10R1.18 CC(=O)CC1=NC=CC=C1 BB55-8084 [1,0,0,0,1,0|1,0,0]=3 145 B10R1.18 CC(=O)CC1=NC=CN=C1 BB57-2158 [1,0,0,0,1,0|2,0,0]=4 146 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [1,0,0,0,1,0|2,0,0]=4 147 B10R1.18 N=C(N)CC1=CC=CC=C1 BB31-4317 [1,0,0,0,1,0|2,0,0]=4 148 B10R1.18 NC(=O)NC1=CC=CC=C1 BB01-6936 [1,0,0,0,1,0|2,0,0]=4 149 B10R1.66 O=C(O)CCC1=CC=NO1 BB54-1995 [1,0,0,0,1,0|2,0,0]=4 150 B10R1.27 CCC(=O)CC1=CC=CO1 BB54-3617 [0,0,0,0,2,0|2,0,0]=4 151 B10R1.15 C#CC(=O)C1=CC=CC=C1 BB54-0791 [0,0,0,0,2,0|1,0,1]=4 152 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [0,0,0,0,2,0|2,0,0]=4 153 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [0,0,0,0,2,0|1,0,0]=3 154 B10R1.15 COC(=O)C1=NC=CN=C1 BB01-2777 [0,0,0,0,2,0|2,0,0]=4 155 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [0,0,0,0,2,0|2,0,0]=4 156 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [0,0,0,0,2,0|2,0,0]=4 157 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 BB55-8607 [0,0,0,0,0,2|0,0,0]=2 158 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 BB01-5496 [0,0,0,0,0,2|2,0,0]=4