0 B12R1.32 NCCC(=O)NC1=CC=CN=C1 BB53-1856 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.32 NCCC(=O)NC1=CC=NC=C1 BB53-1854 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.32 O=C(CCCl)NC1=NC=CC=C1 BB57-1669 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.28 NCCOCC1=CC=CC=C1 BB55-4803 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.40 NNC(=O)CC1=NC=CC=C1 BB12-2162 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.40 NNC(=O)NC1=CC=CC=C1 BB55-2196 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BB53-1939 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.40 O=C(CBr)NC1=CC=CC=C1 BB57-1136 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 BB31-3438 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.19 CCOC(=O)NC1=CC=C(N)C=C1 BB57-5967 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.19 NCCC(=O)NC1=CC=C(Br)C=C1 BB53-1845 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.19 NCCC(=O)NC1=CC=C(Cl)C=C1 BB53-1840 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.20 CCCC(=O)NC1=CC=CC(N)=C1 BB57-1185 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.20 NCCC(=O)NC1=CC=CC(F)=C1 BB54-3715 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB12-1362 [0,1,0,0,0,0|2,0,1]=4 20 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 BB55-8717 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.26 CCNC1CC2=CC=CC=C2C1 BB53-1619 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.26 CCSC1=NC2=CC=CC=C2N1 BB10-1216 [0,0,0,1,0,0|2,1,0]=4 23 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 BB56-0022 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.64 C1=CC=C(NC2=NCCS2)C=C1 BB55-6846 [0,0,0,1,0,0|2,1,0]=4 25 B13R2.135 CCN1C(N)=NC2=C1C=CC=C2 BB05-0160 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.135 CCN1C2=CC=CC=C2N=C1N BB53-1597 [0,0,0,1,0,0|3,0,0]=4 27 B11R1.16 CCOC(=O)C1=CC=NC=C1 BB12-2749 [0,0,0,0,1,0|1,0,0]=2 28 B11R1.16 N#CNC(=O)C1=CC=CC=C1 BB12-1130 [0,0,0,0,1,0|2,0,1]=4 29 B11R1.30 CCOC(=O)CC1=CSC=N1 BB54-4145 [0,0,0,0,1,0|2,0,0]=3 30 B11R1.30 CCOC(=O)CC1=NC=NN1 BB54-1622 [0,0,0,0,1,0|3,0,0]=4 31 B11R1.30 CCOC(=O)CN1C=CC=C1 BB56-2158 [0,0,0,0,1,0|1,0,0]=2 32 B11R1.30 CCOC(=O)NC1=CC=CN1 BB01-3354 [0,0,0,0,1,0|2,0,0]=3 33 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 BB05-2779 [0,0,0,0,0,1|2,0,1]=4 34 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 BB12-1367 [0,0,0,0,0,1|2,0,1]=4 35 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 BB53-1853 [0,0,0,0,0,1|2,0,0]=3 36 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.18 CC(=O)CC1=NC=CC=C1 BB55-8084 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.18 CC(=O)CC1=NC=CN=C1 BB57-2158 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.18 N=C(N)CC1=CC=CC=C1 BB31-4317 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.18 NC(=O)NC1=CC=CC=C1 BB01-6936 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 BB32-2425 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.8 NCCCNCC1=CC=CC=C1 BB05-3473 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 BB17-0243 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=N1 BB57-2602 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 BB55-4998 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.49 CC1=CC=C(NC(=O)CS)C=C1 BB12-3950 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BB17-0336 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 BB01-6281 [1,1,0,0,0,0|0,0,0]=2 50 B12R1.49 O=C(CS)NC1=CC=C(F)C=C1 BB12-3948 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.50 CC1=CC=CC(NC(=O)CBr)=C1 BB55-4999 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 BB55-1696 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.50 COC(=O)CC1=NC(Cl)=CC=C1 BB58-5323 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.50 O=C(CCl)NC1=CC(I)=CC=C1 BB17-1406 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.371 CC1=C(NC(=O)CBr)C=CC=C1 BB55-4997 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.371 O=C(CS)NC1=C(Cl)C=CC=C1 BB12-3951 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.371 O=C(CS)NC1=C(F)C=CC=C1 BB12-3952 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 BB54-0091 [0,1,0,0,1,0|1,0,0]=3 59 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 BB57-1198 [0,1,0,0,1,0|1,0,0]=3 60 B12R1.16 CCOC(=O)C1=CN=C(O)C=N1 BB20-4231 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.16 CCOC(=O)C1=NC=C(O)C=C1 BB58-1367 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.16 CCOC(=O)C1=NNC(=O)C=C1 BB10-0120 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 BB54-2248 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 BB32-1724 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 BB01-2817 [0,1,0,0,1,0|1,0,0]=3 66 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 BB54-4316 [0,1,0,0,1,0|1,0,0]=3 67 B12R1.17 CCOC(=O)C1=CN=CC(N)=C1 BB01-3744 [0,1,0,0,1,0|1,0,0]=3 68 B12R1.17 CCOC(=O)C1=NC(O)=CC=C1 BB54-2947 [0,1,0,0,1,0|1,0,0]=3 69 B12R1.17 CCOC(=O)C1=NC=CC(O)=C1 BB58-1368 [0,1,0,0,1,0|1,0,0]=3 70 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,1,0,0,1,0|1,0,1]=4 71 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl BB55-2908 [0,1,0,0,1,0|2,0,0]=4 72 B12R1.308 CCOC(=N)C1=CC=CNC1=O BB57-4242 [0,1,0,0,1,0|2,0,0]=4 73 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 BB12-4373 [0,1,0,0,1,0|2,0,0]=4 74 B12R1.308 CCOC(=O)C1=CN=CNC1=O BB10-0383 [0,1,0,0,1,0|2,0,0]=4 75 B12R1.31 CCOC(=O)CC1=CN=C(N)S1 BB54-1701 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.31 CCOC(=O)CC1=COC(C)=N1 BB54-4151 [0,1,0,0,1,0|2,0,0]=4 77 B12R1.31 CCOC(=O)CC1=CSC(C)=N1 BB54-4146 [0,1,0,0,1,0|2,0,0]=4 78 B12R1.31 CCOC(=O)CC1=NC(O)=CS1 BB54-0817 [0,1,0,0,1,0|2,0,0]=4 79 B12R1.31 CCOC(=O)CN1C=C(Br)C=N1 BB05-1828 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.31 CCOC(=O)CN1C=C(Br)C=N1 BB55-6804 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.31 CCOC(=O)CN1C=C(C)C=N1 BB05-5039 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.31 CCOC(=O)CN1C=C(I)C=N1 BB57-1262 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.31 CCOC(=O)CN1C=CC(C)=N1 BB05-1596 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.31 CCOC(=O)CN1C=CC(C)=N1 BB55-6557 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.31 CCOC(=O)CN1C=CC(N)=N1 BB05-4061 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.31 CCOC(=O)CN1C=CC(N)=N1 BB54-1092 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.55 CCOC(=O)C(C)N1C=CN=C1 BB57-3652 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.55 CCOC(=O)[C@H](C)N1C=CC=C1 BB56-2157 [0,1,0,0,1,0|1,0,0]=3 89 B12R1.260 CC(C)OC(=O)CC1=CC=CN1 BB58-0484 [0,1,0,0,1,0|1,0,0]=3 90 B12R1.318 CCOC(=O)CC1=CNN=C1O BB57-2053 [0,1,0,0,1,0|2,0,0]=4 91 B12R1.318 CCOC(=O)CC1=CNNC1=O BB54-2055 [0,1,0,0,1,0|2,0,0]=4 92 B12R1.318 CCOC(=O)CN1N=CC=C1C BB05-1589 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.318 CCOC(=O)CN1N=CC=C1C BB55-7756 [0,1,0,0,1,0|2,0,0]=4 94 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 BB01-4761 [0,1,0,0,0,1|1,0,0]=3 95 B14R1.32 CCOC(=O)CNC1=CC(C)=CC=C1 BB12-2557 [0,1,0,0,0,1|0,0,0]=2 96 B14R1.502 CCOC(=O)CNC1=CC=C(C)C=C1 BB12-2898 [0,1,0,0,0,1|0,0,0]=2 97 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 BB12-2773 [0,1,0,0,0,1|0,0,0]=2 98 B14R1.502 CCOC(=O)CNC1=CC=C(F)C=C1 BB58-0804 [0,1,0,0,0,1|0,0,0]=2 99 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 BB05-4908 [0,1,0,0,0,1|0,0,0]=2 100 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)N=N1 BB10-0314 [0,1,0,0,0,1|2,0,0]=4 101 B14R1.598 CCOC(=O)CNC1=C(C)C=CC=C1 BB12-2889 [0,1,0,0,0,1|0,0,0]=2 102 B14R1.598 CCOC(=O)COC1=CC=CN=C1Br BB12-1853 [0,1,0,0,0,1|1,0,0]=3 103 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 BB54-0159 [0,1,0,0,0,1|1,0,1]=4 104 B14R1.34 CCCCC(=O)NC1=CC=CC(N)=C1 BB58-0423 [0,2,0,0,0,0|2,0,0]=4 105 B14R1.36 CCOC(=O)C(=O)C1=CC=CC(Br)=C1 BB32-3195 [0,2,0,0,0,0|0,0,1]=3 106 B14R1.952 CCOC(=O)CC1=CC(O)=NC(C)=N1 BB58-1276 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.3348 CCOC(=O)C(=O)C1=C(C)C=CC=C1 BB32-3704 [0,2,0,0,0,0|0,0,1]=3 108 B14R1.1007 CCC(Br)C(=O)NC1=C(C)C=CC=C1 BB01-5220 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.1007 CCC(Br)C(=O)NC1=C(F)C=CC=C1 BB01-5219 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.51 CCOC(=O)\C=C\C1=CC=CO1 BB54-0050 [0,0,1,1,0,0|1,0,1]=4 111 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB54-4953 [1,0,0,1,0,0|1,0,1]=4 113 B12R2.24 NC1CCC2=C(C=CC=C2)C1 BB57-6610 [1,0,0,1,0,0|1,0,1]=4 114 B12R2.24 O=C1CSC2=CC=CC=C2N1 BB20-4697 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.94 NC1(CC2=CC=CC=C2)CC1 BB55-6354 [1,0,0,1,0,0|1,0,1]=4 116 B14R2.30 O=C1CCCN1CC2=CC=NC=C2 BB12-1780 [0,0,0,1,0,1|2,0,0]=4 117 B14R2.926 CC1=CC=C(N2CCCC2=O)C=C1 BB12-2825 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.926 O=C1CCCN1C2=CC=C(Br)C=C2 BB12-2827 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.926 O=C1CCCN1C2=CC=C(Cl)C=C2 BB12-2828 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.926 O=C1CCCN1C2=CC=C(O)C=C2 BB57-6384 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.949 NC1=CC=C(NC(=O)C2CC2)C=C1 BB55-1695 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.269 CC1=CC=CC(N2CCCC2=O)=C1 BB12-2820 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.4217 CCN1C(=O)OC2=CC(N)=CC=C21 BB54-3334 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.9059 NC1=CC(NC(=O)C2CC2)=CC=C1 BB55-1694 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.6 C1=CC=C(CC2COCCN2)C=C1 BB31-0536 [0,1,0,1,0,0|1,0,1]=4 126 B14R2.24 O=C1CNCCN1C2=CC=CC=C2 BB55-6329 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.517 NCCC1C(=O)NC2=C1C=CC=C2 BB55-8686 [0,1,0,1,0,0|2,0,0]=4 128 B14R2.517 O=C1NC2=C(C=CC=C2)C1CCO BB54-4205 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.19306 CCN1C(=O)C(N)C2=CC=CC=C21 BB12-1524 [0,1,0,1,0,0|1,0,0]=3 130 B14R2.296 NC1=CC=CC=C1N2CCCC2=O BB55-4938 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.296 O=C1CCCN1C2=CC=CC=C2O BB55-6597 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.15 C#CC(=O)C1=CC=CC=C1 BB54-0791 [1,0,0,0,1,0|0,0,2]=4 133 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [1,0,0,0,1,0|1,0,0]=3 134 B10R1.15 CCC(N)C1=CC=CC=C1 BB05-0915 [1,0,0,0,1,0|1,0,1]=4 135 B10R1.15 CCC(N)C1=CC=CC=C1 BB55-1056 [1,0,0,0,1,0|1,0,1]=4 136 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [1,0,0,0,1,0|1,0,0]=3 137 B10R1.15 COC(=O)C1=NC=CN=C1 BB01-2777 [1,0,0,0,1,0|2,0,0]=4 138 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [1,0,0,0,1,0|1,0,0]=3 139 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [1,0,0,0,1,0|2,0,0]=4 140 B10R1.27 CCC(=O)CC1=CC=CO1 BB54-3617 [1,0,0,0,1,0|1,0,0]=3 141 B10R1.11 CCOC(=O)C1=CNC=N1 BB01-7910 [0,0,0,0,2,0|2,0,0]=4 142 B10R1.11 CCOC(=O)C1=CNN=C1 BB12-1454 [0,0,0,0,2,0|2,0,0]=4 143 B10R1.11 CCOC(=O)C1=CON=C1 BB57-1591 [0,0,0,0,2,0|2,0,0]=4 144 B10R1.11 CCOC(=O)C1=CSC=N1 BB54-3895 [0,0,0,0,2,0|2,0,0]=4 145 B10R1.11 CCOC(=O)C1=NNC=C1 BB55-2980 [0,0,0,0,2,0|2,0,0]=4 146 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 BB53-1852 [0,0,0,0,0,2|2,0,0]=4