0 B10R1.59 CC(=O)C1=C(Br)SC(Br)=C1 BB31-4825 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 BB52-1883 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.59 CC1=C(C(=O)O)SC(O)=N1 BB31-6468 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 BB52-2375 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.59 CC1=CN(C)N=C1C(=O)O BB31-8505 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.59 CC1=NC(C(=O)O)=C(N)S1 BB32-2132 [0,0,0,0,0,0|3,1,0]=4 6 B9R1.22 CC1=NC(C=O)=C(C)N1 BB31-4684 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.35 CC(=O)C1=CC(Br)=NO1 BB31-6992 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.35 CC(=O)C1=CC=C(Br)O1 BB32-1375 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.35 CC(=O)C1=CN=C(C)S1 BB32-2648 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.35 CC(=O)C1=CNC(C)=C1 BB32-3505 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.35 CC(=O)C1=CSC(Br)=C1 BB32-3092 [1,0,0,0,0,0|1,1,0]=3 12 B9R1.35 CC1=CNC(C(=O)O)=C1 BB31-4952 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 CC1=NC(C(=O)O)=CO1 BB52-2189 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.35 CC1=NC(C(=O)O)=NO1 BB31-5081 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 CC1=NC(C(N)=O)=CS1 BB32-1502 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.35 CC1=NC=C(C(=O)O)O1 BB31-2190 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.35 NC(=O)C1=COC(Cl)=N1 BB31-0325 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.35 NC(=O)C1=CSC(Br)=C1 BB31-4076 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.35 O=C(O)C1=COC(Br)=N1 BB31-0470 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.41 CC(=O)C1=CNC=C1C BB31-4047 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.41 NC(=O)C1=C(N)SC=C1 BB52-8541 [1,0,0,0,0,0|2,1,0]=4 22 B9R1.41 NC1=C(C(=O)O)C=CS1 BB32-3009 [1,0,0,0,0,0|2,1,0]=4 23 B9R1.41 O=C(O)C1=C(Br)OC=C1 BB31-3871 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.50 CNC1=NC(C)=C(C(=O)O)S1 BB52-1884 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.50 COC1=NC(C)=C(C(=O)O)S1 BB52-3925 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.50 COC1=NN(C)C(C(=O)O)=C1 BB31-1584 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.225 COC(=O)C1=C(Br)C=C(C)S1 BB31-1289 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.225 COC(=O)C1=C(C)C=C(Br)S1 BB31-6231 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.225 COC(=O)C1=C(C)SC(Cl)=N1 BB31-9967 [0,1,0,0,0,0|2,1,0]=4 30 B11R1.225 COC(=O)C1=C(N)SC(Cl)=C1 BB32-2921 [0,1,0,0,0,0|2,1,0]=4 31 B11R1.673 CC(=O)C1=C(C)N(C)N=C1C BB31-8408 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.673 CC1=NN(C)C(C(=O)O)=C1C BB17-3010 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.673 CC1=NN(C)C(Cl)=C1C(=O)O BB32-1045 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.673 CC1=NN(C)C(N)=C1C(N)=O BB31-0172 [0,1,0,0,0,0|3,0,0]=4 35 B9R0.48 CCOC(=O)\C=C\C(C)=O BB31-0204 [0,0,1,0,0,0|1,0,1]=3 36 B11R1.74 CC(=O)C1=CC(Cl)=NC(Cl)=C1 BB32-0814 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.74 CC(=O)C1=CC(I)=CC(Br)=C1 BB31-8900 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.74 CC(=O)C1=NC(C)=CC(Br)=C1 BB31-8442 [0,0,0,0,0,1|2,0,0]=3 39 B11R1.74 CC1=CC(C(=O)O)=NC(N)=N1 BB52-2371 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 BB52-2369 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=N1 BB31-2675 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 BB31-9256 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 BB32-1815 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.166 CC(=O)C1=CN=C(N)N=C1C BB52-6467 [0,0,0,0,0,1|2,0,0]=3 45 B11R1.166 CC(=O)C1=CN=C(O)N=C1C BB52-6466 [0,0,0,0,0,1|2,0,0]=3 46 B11R1.166 CC(=O)C1=CN=C(S)N=C1C BB52-6465 [0,0,0,0,0,1|2,0,0]=3 47 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=N1 BB31-9078 [0,0,0,0,0,1|3,0,0]=4 48 B11R1.166 CC1=C(C(=O)O)C=NC(=O)N1 BB31-1627 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.166 CC1=CC(Br)=NC=C1C(=O)O BB31-9293 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 BB52-5680 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 BB32-2407 [0,0,0,0,0,1|2,0,0]=3 52 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 BB31-7213 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 BB52-1580 [0,0,0,0,0,1|2,0,0]=3 54 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 BB31-9907 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.166 CC1=NC(N)=NC=C1C(=O)O BB52-1804 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.166 CC1=NC=C(C(=O)O)C(=O)N1 BB52-1800 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.167 CC(=O)C1=C(Br)C=CC(N)=C1 BB31-2893 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.167 CC(=O)C1=C(Br)C=CC(O)=C1 BB31-9255 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.167 CC(=O)C1=C(O)C=CC(I)=C1 BB31-7249 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl BB31-6408 [0,0,0,0,0,1|2,0,0]=3 61 B11R1.167 CC1=C(C(N)=O)C=C(N)C=C1 BB32-2564 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 BB31-6434 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 BB32-2207 [0,0,0,0,0,1|3,0,0]=4 64 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 BB31-6680 [0,0,0,0,0,1|3,0,0]=4 65 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 BB31-9003 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.167 CC1=CNC(=O)C(C(=O)O)=C1 BB32-1929 [0,0,0,0,0,1|3,0,0]=4 67 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 BB52-8234 [0,0,0,0,0,1|3,0,0]=4 68 B8R1.1 CC1=NC(C=O)=CO1 BB52-2373 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.1 CN1C=CC(C=O)=C1 BB32-1972 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.11 CC1=CSC=C1C=O BB32-4004 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.18 CC1=CC(Br)=C(C)S1 BB31-8009 [2,0,0,0,0,0|1,1,0]=4 72 B8R1.7 CC(=O)C1=CC=NO1 BB31-6420 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.7 CC(=O)C1=CN=CO1 BB31-9843 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.7 NC(=O)C1=COC=C1 BB32-3212 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.34 CC1=C(Br)C(C)=C(C=O)N1 BB31-7523 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.14 CNC(=O)C1=NNC(C)=C1 BB32-1604 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.14 COC(=O)C1=CC(C)=CN1 BB32-1368 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.14 COC(=O)C1=CNC(C)=C1 BB32-1910 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.14 COC(=O)C1=CNC(C)=N1 BB31-7210 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 BB31-6726 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.149 CN1C=CC=C1C(=O)CCl BB31-4260 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.149 COC(=O)C1=C(Br)OC=C1 BB31-3870 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.149 COC(=O)C1=CNC=C1C BB32-1705 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.149 COC(=O)C1=CSC=C1C BB32-3581 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.192 CC1=NOC(C)=C1C(=O)O BB52-8542 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.11 COC1=CC(C)=CC(C(C)=O)=C1 BB32-2711 [0,1,0,0,0,1|1,0,0]=3 87 B12R1.358 COC(=O)C1=CC(N)=NC(C)=C1 BB31-9322 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1I BB31-8384 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.232 CC1=CC(C)=C(I)C=C1C(=O)O BB31-7214 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.452 CCC1=NC=C(C(=O)O)C(C)=N1 BB52-2794 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.452 COC1=CC(C)=C(C(C)=O)C=C1 BB32-1464 [0,1,0,0,0,1|1,0,0]=3 92 B12R1.452 CSC1=NC(C)=C(C(=O)O)C=N1 BB52-2207 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(=O)N1 BB52-5668 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(N)=N1 BB52-1586 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(Cl)=N1 BB31-9723 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(N)=N1 BB52-1591 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=N1 BB32-1971 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=N1 BB31-0912 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.1703 COC(=O)C1=CC=C(C)NC1=O BB32-2708 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.1703 COC(=O)C1=NC=C(C)N=C1Cl BB31-8595 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.1703 COC(=O)C1=NC=C(F)C=C1C BB32-0078 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.46 COC1=NC=C(Br)C=C1C(C)=O BB31-1252 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.354 COC(=O)C1=CC(C)=CN=C1Br BB31-8087 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.354 COC(=O)C1=CC(C)=CN=C1Cl BB32-2989 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.453 CCC1=CC(C(C)=O)=C(O)C=C1 BB31-4270 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.1926 CCC1=C(C(=O)OC)NC(C)=N1 BB32-0194 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.3443 COC(=O)C1=C(C)C(C)=NN1C BB31-6828 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.3443 COC(=O)C1=C(C)N(C)N=C1C BB32-1732 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.699 CCN1C(C)=CC(C(=O)O)=C1C BB52-2374 [0,2,0,0,0,0|2,0,0]=4 110 B10R2.32 O=C1CCC2=C1C=CS2 BB32-3136 [1,0,0,1,0,0|0,1,0]=3 111 B10R2.32 O=C1CCC2=C1C=NN2 BB52-7499 [1,0,0,1,0,0|2,0,0]=4 112 B10R2.32 O=C1CCC2=CNC=C12 BB31-7130 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 BB32-2730 [0,0,0,1,0,1|2,0,0]=4 114 B12R2.612 NC1=NC=C2C(=O)CCC2=N1 BB52-7388 [0,0,0,1,0,1|2,0,0]=4 115 B12R2.612 O=C1CCC2=C1C=CC(Cl)=N2 BB31-9320 [0,0,0,1,0,1|2,0,0]=4 116 B12R2.132 O=C1CCC2=NC=C(Br)C=C12 BB31-1351 [0,0,0,1,0,1|2,0,0]=4 117 B12R2.202 CC1=NC2=C(CCCC2=O)N1 BB52-7017 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.202 O=C1NCCC2=C1C=C(Br)S2 BB31-9069 [0,1,0,1,0,0|1,1,0]=4 119 B10R1.8 CC1=CC(C=O)=CC(C)=N1 BB31-3576 [1,0,0,0,0,1|1,0,0]=3 120 B10R1.8 CC1=CC(C=O)=CC(O)=C1 BB32-3309 [1,0,0,0,0,1|2,0,0]=4 121 B10R1.8 COC1=NC(C)=NC(C)=C1 BB31-2475 [1,0,0,0,0,1|2,0,0]=4 122 B10R1.25 CC1=C(C=O)C=CC(F)=N1 BB31-6533 [1,0,0,0,0,1|2,0,0]=4 123 B10R1.25 CC1=CC(C)=C(C=O)C=N1 BB31-0486 [1,0,0,0,0,1|1,0,0]=3 124 B10R1.25 CCC1=NC=C(C)C=C1C BB31-8237 [1,0,0,0,0,1|1,0,1]=4 125 B10R1.25 COC1=NC=C(C)N=C1C BB31-7460 [1,0,0,0,0,1|2,0,0]=4 126 B10R1.13 CC(=O)C1=CN=C(C)N=C1 BB31-2353 [1,0,0,0,0,1|1,0,0]=3 127 B10R1.13 CC(=O)C1=CN=C(N)C=C1 BB31-3878 [1,0,0,0,0,1|2,0,0]=4 128 B10R1.13 CC(=O)C1=NC=C(O)C=C1 BB32-3774 [1,0,0,0,0,1|2,0,0]=4 129 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [1,0,0,0,0,1|2,0,0]=4 130 B10R1.13 CC1=NC=C(C(=O)O)C=N1 BB52-2338 [1,0,0,0,0,1|2,0,0]=4 131 B12R1.233 CC(=O)NC1=CN=C(Cl)C=C1C BB32-3699 [0,0,0,0,0,2|2,0,0]=4