0 B10R1.61 CN(C)C1=C(O)C=CC=C1 AT26775 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CN(C)C1=C(O)C=NC=C1 AT23568 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.61 C[C@H](O)C1=C(F)C=CN=C1 AT10684 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.61 C[C@H](O)C1=CC=CN=C1F AT10061 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.61 NC1=C(C(=O)O)C=NN=C1 D87903 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 NC1=CC=NN=C1C(=O)O F13675 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [0,0,0,0,0,0|1,1,0]=2 8 B10R1.61 OB(O)C1=C(F)C=CC=N1 C14125 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.61 OC1=C(C(F)F)C=CC=C1 AT20035 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 O=C(O)C1=NC=NN=C1 D73602 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 CC1=C(C=O)C=NN=C1 AT10311 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 CC1=CC=NN=C1C=O AT10310 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.15 O=CC1=C(F)C=CN=C1 P10446 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.15 O=CC1=NC=CN=C1F P13900 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.53 C[C@H](N)C1=C(CO)C=CC=C1 N14391 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.53 C[C@H](N)C1=C(CO)C=CC=C1 Y12531 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.53 N#CC1=CN=CN=C1C(=O)O AT18319 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.53 NCC1=C(C(=O)O)C=CC=N1 AT25913 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.53 O=C(O)C1=C(CO)N=CC=C1 D77099 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.53 O=CC1=C(C(=O)O)C=NC=C1 P18750 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.87 CP(C)(=O)C1=C(I)C=CC=C1 AT11111 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.87 [2H]C([2H])([2H])C1=C(O)C=CC=C1 D98895 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.156 CC(=O)C1=C(I)C=CN=C1F AT16505 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.156 CC(C)C1=C(F)C=CC=C1O AT20215 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.156 CC1=CN=CC(Cl)=C1C(=O)O AT24332 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.156 CC1=NC=NC(N)=C1C(=O)O AT10451 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.159 CC(C)C1=CC=CC(F)=C1O AT20236 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.159 CC1=CN=CC(C(=O)O)=C1C AT13149 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.159 CC1=NC=CC(C(=O)O)=C1Br D88096 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1F AT11383 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1F AT11384 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1O AT22639 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.159 NC(=O)C1=C(I)C(Cl)=CC=N1 AC3696 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1I W19256 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.159 NC1=CN=CC(C(=O)O)=C1N 94389 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.159 O=C(O)C1=C(Cl)C(=O)NC=N1 AT18440 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Br AT15963 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Cl C72015 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.159 O=C(O)C1=CN=CC(F)=C1Cl AT10270 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.166 CC(=O)C1=C(F)C=C(N)C=C1 AT16600 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.166 CC(=O)C1=C(O)N=C(Cl)C=C1 AT20297 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1N AC9826 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.166 CC(=O)C1=NC=C(Br)C=C1O AT21120 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.166 CC1=C(C(=O)O)N=CC(Cl)=N1 AT24109 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.166 CC1=CC=C(B(O)O)C(O)=N1 AC3645 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.166 NC(=O)C1=NC=C(F)C=C1N AT14793 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.166 NC1=CC(S)=C(C(=O)O)C=C1 AT21193 [0,1,0,0,0,0|0,1,0]=2 51 B11R1.166 O=C(O)C1=C(I)C=C(Br)N=C1 AT12762 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.166 O=C(O)C1=C(I)C=C(Cl)N=C1 P12286 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.166 O=C(O)C1=C(O)N=C(Br)C=C1 AC4834 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.167 CC(=O)C1=C(Br)C=CC(N)=C1 O10299 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.167 CC(=O)C1=C(C)N=CC(N)=C1 O10300 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.167 CC(=O)C1=CC(Br)=CN=C1O AT20305 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.167 CC(=O)C1=CC(Cl)=CN=C1O AT20998 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.167 CC(=O)C1=CC(F)=CN=C1O AT21104 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.167 CC1=C(C(=O)O)C=C(N)N=C1 AT18131 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=N1 AT24032 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.167 CC1=CN=C(Cl)C=C1C(=O)O AT21681 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 50793 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.167 NC(=O)C1=CC(Cl)=CN=C1N AT16915 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.167 NC1=CC(C(F)F)=C(O)C=C1 AT26539 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.167 O=C(O)C1=C(Cl)C=NC(Cl)=N1 87857 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.167 O=C(O)C1=C(O)N=CC(F)=N1 N13383 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.167 O=C(O)C1=CC(Br)=CN=C1I AC8600 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.167 O=C1CC=C(Cl)C(C(=O)O)=N1 H11134 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.167 OB(O)C1=CC(F)=NC=C1O D76913 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.167 OC1=C(C(F)F)C=C(F)C=C1 79333 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.222 C=CC(=O)C1=C(F)C=CC=C1 F13144 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.222 CC1=C(C(=S)NN)C=CC=C1 W10975 [0,1,0,0,0,0|2,1,0]=4 73 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 AT26732 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.222 COC(=O)C1=NN=CC=C1C F51619 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.222 O=C(CCl)C1=NC=CC=C1F 78963 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.222 O=C(NO)C1=C(Br)C=CC=C1 D76830 [0,1,0,0,0,0|1,0,0]=2 77 B11R2.1 BrC1=NOC2=C1C=CC=C2 D77128 [0,0,0,1,0,0|2,0,0]=3 78 B11R2.1 NC1=C2C=CC=CC2=NO1 AC2203 [0,0,0,1,0,0|2,0,0]=3 79 B11R2.1 N[C@H]1COC2=C1C=CC=C2 F16957 [0,0,0,1,0,0|2,0,1]=4 80 B11R2.1 O=C1NC=C2C=CC=CN12 D72553 [0,0,0,1,0,0|3,0,0]=4 81 B11R2.1 OC1=CSC2=C1C=CN=C2 AT25103 [0,0,0,1,0,0|2,1,0]=4 82 B11R2.468 O=C1CC2=CC=CC(Br)=C12 AT20401 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.41 CC1=C(C(=O)O)C=NS1 AT21135 [0,0,0,0,1,0|3,0,0]=4 84 B9R1.41 O=C(O)C1=C(Br)C=NS1 AT21094 [0,0,0,0,1,0|3,0,0]=4 85 B9R1.41 O=C(O)C1=CSC=C1F AT16774 [0,0,0,0,1,0|2,0,0]=3 86 B9R1.41 O=C(O)C1=CSN=C1Br AT21076 [0,0,0,0,1,0|3,0,0]=4 87 B9R1.41 O=C(O)C1=CSN=C1Cl AT21165 [0,0,0,0,1,0|3,0,0]=4 88 B9R1.41 O=C(O)C1=NOC=C1Br AT19731 [0,0,0,0,1,0|3,0,0]=4 89 B9R1.41 O=C(O)C1=NON=C1O AT24212 [0,0,0,0,1,0|3,0,0]=4 90 B9R1.41 O=C(O)C1=NSC=C1Br AT21160 [0,0,0,0,1,0|3,0,0]=4 91 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 D74339 [0,0,0,0,0,1|2,0,0]=3 92 B11R1.86 CC(=O)NC1=CC=CNC1=O D74338 [0,0,0,0,0,1|2,0,1]=4 93 B11R1.86 O=C(O)CC1=C(Br)C=CN=C1 AT23274 [0,0,0,0,0,1|2,0,0]=3 94 B11R1.86 O=C(O)CC1=C(Br)C=NC=C1 AT23277 [0,0,0,0,0,1|2,0,0]=3 95 B11R1.86 O=C(O)CC1=C(Cl)C=CN=C1 AT23281 [0,0,0,0,0,1|2,0,0]=3 96 B11R1.86 O=C(O)CC1=C(Cl)C=NC=C1 AT23303 [0,0,0,0,0,1|2,0,0]=3 97 B11R1.86 O=C(O)CC1=C(F)C=NC=C1 AT23311 [0,0,0,0,0,1|2,0,0]=3 98 B11R1.86 O=C(O)CC1=CC=CN=C1F AT23305 [0,0,0,0,0,1|2,0,0]=3 99 B11R1.86 O=C(O)CC1=NC=CC=C1O 37888 [0,0,0,0,0,1|1,0,0]=2 100 B11R1.86 O=C([O-])CC1=C(Cl)C=NC=C1 AT23304 [0,0,0,0,0,1|2,0,1]=4 101 B11R1.86 O=C([O-])CC1=C(F)C=NC=C1 AT23312 [0,0,0,0,0,1|2,0,1]=4 102 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|1,0,1]=4 103 B8R1.5 O=C1OC=CC=C1Br AC1746 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.5 OC1=C(F)C=CN=C1 98163 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.13 O=C(O)C1=NC=C(O)C=N1 H11150 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.2 CC1=C(C=O)C=CN=C1F AC7965 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.2 NCC1=CC=CC(F)=C1O D85259 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.2 O=CC1=C(O)C(Br)=NC=C1 D73604 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.2 O=CC1=CN=CC(Cl)=C1Br AT21625 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.20 C=CC1=C(C=C)C=CC=C1 A11741 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.20 C=CC1=C(CO)C=CC=C1 S11028 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.20 CCC1=CC=CN=C1C=O AT24573 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.20 COC1=C(C=O)C=NC=N1 AT18299 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 AT24663 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.25 N#CC1=C(O)C=C(I)C=C1 D76835 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.25 O=CC1=NC=C(Br)C=C1O AT21333 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.25 [BH3-]C1=CC(Cl)=C(CO)C=C1 AC7773 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.30 C#CC1=C(O)C=CC(N)=C1 AC8460 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.30 C=CC1=C(F)C=CC(O)=C1 AC8373 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.30 CC1=CC(C=O)=C(F)C=N1 AT23100 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.30 CC1=NC(C=O)=C(Br)C=C1 D72193 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.30 O=CC1=C(Br)C=CC(Br)=N1 AC8056 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.30 O=CC1=C(Br)C=CC(F)=N1 AC3278 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.245 CC1=CN=CC(F)=C1C=O AT23108 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.245 COC1=C(O)C=CC=C1C AT19440 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.245 NC1=NC=CC(Br)=C1C=O P19341 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.245 O=CC1=C(I)C=CC=C1I AT18530 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.245 OCC1=C(I)C=CC=C1I AT18544 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.39 CCC1=C(C(=O)O)OC=C1 AT17161 [0,1,0,0,1,0|2,0,0]=4 138 B10R1.39 COC1=NSC=C1C(=O)O AT11783 [0,1,0,0,1,0|2,0,0]=4 139 B10R1.39 N#CC1=C(C(=O)O)C=CS1 AT20351 [0,1,0,0,1,0|2,0,0]=4 140 B10R1.39 N#CC1=CSC=C1C(=O)O AT16775 [0,1,0,0,1,0|2,0,0]=4 141 B10R1.39 O=CC1=C(C(=O)O)SC=C1 AT16398 [0,1,0,0,1,0|1,0,1]=4 142 B10R1.39 O=CC1=CSC=C1C(=O)O AT16772 [0,1,0,0,1,0|1,0,1]=4 143 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 AT22754 [0,1,0,0,1,0|2,0,0]=4 144 B10R1.149 COC(=O)C1=C(Cl)NC=C1 AT16177 [0,1,0,0,1,0|2,0,0]=4 145 B10R1.149 COC(=O)C1=C(F)C=CO1 AC5536 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.149 COC(=O)C1=COC=C1Br D72254 [0,1,0,0,1,0|2,0,0]=4 147 B10R1.149 COC(=O)C1=CSC=C1Cl AT14982 [0,1,0,0,1,0|2,0,0]=4 148 B10R1.194 CC1=CSC(C(=O)O)=C1N 35392 [0,1,0,0,1,0|2,0,0]=4 149 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 P11016 [0,1,0,0,1,0|2,0,0]=4 150 B12R1.124 CC(=O)[C@H](N)C1=C(C)C=CC=C1 D85230 [0,1,0,0,0,1|2,0,0]=4 151 B12R1.124 CC(=O)[C@H](N)C1=C(Cl)C=CC=C1 D85233 [0,1,0,0,0,1|2,0,0]=4 152 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 D85237 [0,1,0,0,0,1|1,0,1]=4 153 B12R1.124 CC1=C([C@@H](F)C(=O)O)C=CC=C1 AC9472 [0,1,0,0,0,1|1,0,0]=3 154 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25205 [0,1,0,0,0,1|1,0,0]=3 155 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25208 [0,1,0,0,0,1|1,0,0]=3 156 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25209 [0,1,0,0,0,1|1,0,0]=3 157 B12R1.124 C[C@H](O)[C@H](N)C1=C(O)C=CC=C1 N15630 [0,1,0,0,0,1|1,0,1]=4 158 B12R1.127 CC1=CC(CC(=O)O)=C(I)C=C1 AT25201 [0,1,0,0,0,1|1,0,0]=3 159 B12R1.127 O=C(O)CC1=C(I)C=CC(Br)=C1 C13048 [0,1,0,0,0,1|1,0,0]=3 160 B12R1.127 O=C(O)CC1=C(I)C=CC(Cl)=C1 AT25203 [0,1,0,0,0,1|1,0,0]=3 161 B12R1.127 O=C(O)CC1=CC(Br)=CN=C1F AT21622 [0,1,0,0,0,1|2,0,0]=4 162 B12R1.127 O=C(O)CC1=CC(F)=CN=C1Cl AT21637 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.151 CS(C)(=O)=NC1=C(O)C=CC=C1 AT18482 [0,1,0,0,0,1|2,0,0]=4 164 B12R1.224 CC(=O)NC1=C(O)C(Cl)=NC=C1 E71775 [0,1,0,0,0,1|2,0,0]=4 165 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=N1 AT12896 [0,1,0,0,0,1|2,0,0]=4 166 B12R1.233 CC1=CC=C(CC(=O)O)C(Cl)=N1 AT21641 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.233 O=C(O)CC1=C(Cl)N=C(Br)C=C1 AT21655 [0,1,0,0,0,1|2,0,0]=4 168 B12R1.233 O=C(O)CC1=C(F)N=C(Br)C=C1 AT21645 [0,1,0,0,0,1|2,0,0]=4 169 B12R1.233 O=C(O)CC1=C(I)C=C(Br)C=C1 D85730 [0,1,0,0,0,1|1,0,0]=3 170 B12R1.233 O=C(O)CC1=C(I)C=C(Cl)C=C1 D85731 [0,1,0,0,0,1|1,0,0]=3 171 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 AT25194 [0,1,0,0,0,1|1,0,0]=3 172 B12R1.371 COC(=O)CC1=CC=CN=C1Cl AT23266 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.1009 O=C(O)CC1=C(Cl)C=CN=C1Cl D75678 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.1009 O=C(O)CC1=C(Cl)C=NC=C1Cl D72181 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.1009 O=C(O)CC1=C(I)C=CC=C1Cl AT25202 [0,1,0,0,0,1|1,0,0]=3 176 B12R1.1009 O=C(O)CC1=C(I)C=CC=C1F AT25198 [0,1,0,0,0,1|1,0,0]=3 177 B12R1.46 C=CC1=C(C(=O)O)C=C(Cl)C=C1 D77884 [0,2,0,0,0,0|1,0,0]=3 178 B12R1.46 COC1=C(C(C)=O)C=C(C)C=N1 D74378 [0,2,0,0,0,0|2,0,0]=4 179 B12R1.46 COC1=C([C@H](C)O)C=C(F)C=C1 F52411 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.46 COC1=CC=C(C)N=C1C(C)=O AT25055 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 AC9249 [0,2,0,0,0,0|1,0,0]=3 182 B12R1.57 COC1=CC(Br)=NC=C1C(=O)O C91420 [0,2,0,0,0,0|1,0,0]=3 183 B12R1.57 N#CC1=CC(Br)=CN=C1C(=O)O D76577 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.77 COC(=O)C1=C(CBr)C=CN=C1 90036 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.261 C[C@H](N)C1=C(C(N)=O)C=CC=C1 Y14057 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.437 CCC1=CC=CC(O)=C1C(=O)O D76421 [0,2,0,0,0,0|0,0,0]=2 187 B12R1.437 COC1=C(C(=O)O)C(C)=NC=N1 AT18393 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.437 COC1=C(C(=O)O)C(Cl)=NC=N1 AT15599 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.437 OCC1=CC=CC(F)=C1B(O)O D76241 [0,2,0,0,0,0|1,0,1]=4 190 B12R1.894 CC1=C(Br)C=CC(O)=C1C(=O)O D76566 [0,2,0,0,0,0|0,0,0]=2 191 B12R1.894 CC1=C(Cl)C=CC(O)=C1C(=O)O D76565 [0,2,0,0,0,0|0,0,0]=2 192 B12R1.894 CC1=C(F)C=CC(F)=C1C(=O)O D96192 [0,2,0,0,0,0|1,0,0]=3 193 B12R1.894 CC1=C(F)C=CC(O)=C1[N+](=O)[O-] D96238 [0,2,0,0,0,0|1,0,1]=4 194 B12R1.894 CC1=CC=C(O)C(C(=O)O)=C1F AT21288 [0,2,0,0,0,0|0,0,0]=2 195 B12R1.894 NC1=C(I)C=CC(F)=C1C(=O)O D77901 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.894 O=C(O)C1=C(I)C(Br)=CC=C1I AT18569 [0,2,0,0,0,0|1,0,0]=3 197 B12R1.894 O=C(O)C1=C(I)C(F)=CC=C1I AT18562 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.894 O=C(O)C1=C(I)C=CC(F)=C1Br AT14987 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.1000 CC1=CC(Br)=CC(Br)=C1C(=O)O AC8815 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.1000 CC1=CC(Br)=CC(C)=C1C(N)=O AT22851 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.1000 CC1=CC(Cl)=CC(O)=C1B(O)O 96457 [0,2,0,0,0,0|1,0,1]=4 202 B12R1.1000 O=C(O)C1=C(I)C=C(Br)C=C1I AT18566 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.1000 O=C(O)C1=C(I)C=C(Cl)N=C1Cl F12417 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.1000 O=C(O)C1=C(I)C=C(F)C=C1I AT18563 [0,2,0,0,0,0|1,0,0]=3 205 B12R1.1000 OB(O)C1=C(Cl)C=C(Cl)C=C1O 96458 [0,2,0,0,0,0|1,0,1]=4 206 B12R1.3441 COC(=O)C1=C(Br)C=NC=C1Cl AT24330 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.3441 COC(=O)C1=C(Cl)C=NC=C1C AT24331 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.3441 COC(=O)C1=C(Cl)C=NC=C1O AT11136 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.24 COC(=O)C1=C(C)C(C)=NC=C1 D77135 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.24 COC(=O)C1=C(N)C(F)=NC=C1 AT26925 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.24 COC(=O)C1=CN=CC(Br)=C1Br AT15997 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.24 COC(=O)C1=CN=CC(Br)=C1C 82666 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.24 COC(=O)C1=CN=CC(Br)=C1N AT16240 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.440 O=CC1=NC=CC(C(=O)O)=C1F AT25586 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.440 O=[N+]([O-])C1=C(O)C(CO)=CC=C1 D75809 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.511 CC1=C(Br)C=C(S)C=C1C(=O)O D73648 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.511 CC1=C(I)C=C(Br)C=C1C(=O)O AT12545 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.511 O=C(O)C1=CC(O)=CC(Br)=C1F AT11236 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1Br AT21197 [0,2,0,0,0,0|1,0,0]=3 220 B12R1.893 CC1=C(Cl)C(C(=O)O)=CN=C1Cl AT21680 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.893 CN1C=CC(C(=O)O)=C(O)C1=O AT19249 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.232 CC1=C(Cl)C=C(C(=O)O)C(Cl)=N1 AT21679 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.232 CC1=C(Cl)C=C(O)C(C(=O)O)=C1 AC7035 [0,2,0,0,0,0|0,0,0]=2 224 B12R1.232 CC1=CC(F)=C(I)C=C1C(=O)O AT25998 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.232 NC1=NC(N)=C(Br)C=C1C(=O)O AC1502 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.232 O=C(O)C1=C(Br)C=C(O)C(F)=C1 AT17981 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(I)=N1 P18002 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1O D76073 [0,2,0,0,0,0|0,0,0]=2 229 B12R1.232 O=C(O)C1=CC(O)=C(Br)C=C1F AT11232 [0,2,0,0,0,0|1,0,0]=3 230 B12R1.232 O=C(O)C1=CC(O)=C(Cl)C=C1Cl D76122 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.452 N#CC1=CC(Cl)=C(C(=O)O)N=C1 78995 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.452 O=CC1=CC(O)=C(C(=O)O)C=C1 O11231 [0,2,0,0,0,0|0,0,0]=2 233 B12R1.1703 COC(=O)C1=C(I)C=C(Br)C=N1 AT22218 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.1703 COC(=O)C1=C(I)C=C(Cl)N=C1 AT19633 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.1703 COC(=O)C1=NC=C(O)C=C1C AC8222 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.354 COC(=O)C1=C(Br)C=NC(C)=C1 AC9248 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.354 COC(=O)C1=C(C)C=CC(=O)N1 E71859 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.354 COC(=O)C1=C(C)C=NC(N)=C1 AT18126 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.354 COC(=O)C1=C(O)C=CC(Cl)=N1 D76429 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.354 COC(=O)C1=C(S)C=CC(F)=C1 AT20788 [0,2,0,0,0,0|0,1,0]=3 241 B12R1.354 CSC(=O)C1=C(F)C=CC(F)=C1 C12395 [0,2,0,0,0,0|1,1,0]=4 242 B12R1.453 CSC1=NC(C(=O)O)=C(O)C=N1 D77002 [0,2,0,0,0,0|2,0,0]=4 243 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [0,0,1,1,0,0|1,0,1]=4 244 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [1,0,0,1,0,0|1,1,0]=4 245 B10R2.7 C1=CC2=C(C=N1)OC=C2 C73709 [1,0,0,1,0,0|2,0,0]=4 246 B12R2.202 CC1=CC2=C(Br)C=CC=C2O1 53815 [0,0,0,1,0,1|2,0,0]=4 247 B12R2.202 CC1=NC2=C(C=CC=C2O)O1 D77022 [0,0,0,1,0,1|1,0,0]=3 248 B12R2.3190 CC(=O)[C@@H]1CC2=C1C=CC=C2 E72984 [0,0,0,1,0,1|2,0,0]=4 249 B12R2.3190 O=C(Cl)[C@@H]1CC2=C1C=CC=C2 E73149 [0,0,0,1,0,1|2,0,0]=4 250 B12R2.1081 O=C1CCOC2=C1C=CC=N2 AT19775 [0,1,0,1,0,0|2,0,0]=4 251 B12R2.1081 O=C1CCOC2=C1C=CN=C2 AT19772 [0,1,0,1,0,0|2,0,0]=4 252 B12R2.1081 O=C1COCC2=C1C=CN=C2 P20308 [0,1,0,1,0,0|2,0,0]=4 253 B12R2.1806 COC1=C2C(=O)CC2=CC=C1 70904 [0,1,0,1,0,0|1,0,0]=3 254 B12R2.203 ClC1=NOC2=CC=CC(Cl)=C21 AT25191 [0,1,0,1,0,0|2,0,0]=4 255 B12R2.203 FC1=C2C(=CC=C1)ON=C2Cl O10978 [0,1,0,1,0,0|2,0,0]=4 256 B12R2.203 O=C1NCC2=CC=CC(O)=C12 F18714 [0,1,0,1,0,0|1,0,0]=3 257 B12R2.203 O=C1NOC2=CC=CC(Cl)=C12 75132 [0,1,0,1,0,0|1,0,0]=3 258 B12R2.203 O[C@H]1COC2=CC=CC(Br)=C21 AT23849 [0,1,0,1,0,0|1,0,1]=4 259 B12R2.203 O[C@H]1COC2=CC=CC(Cl)=C21 AT23845 [0,1,0,1,0,0|1,0,1]=4 260 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NO2 O10990 [0,1,0,1,0,0|2,0,0]=4 261 B12R2.612 NC1=CC2=C(C=C1)C(=O)CO2 D76407 [0,1,0,1,0,0|1,0,0]=3 262 B12R2.612 NC1=CN=C2C(=O)OCC2=C1 AT26563 [0,1,0,1,0,0|2,0,0]=4 263 B12R2.612 O=C1CSC2=C1C=CC(Br)=C2 D76235 [0,1,0,1,0,0|1,1,0]=4 264 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CO2 AT23843 [0,1,0,1,0,0|1,0,1]=4 265 B12R2.132 OC1=CC2=C(C=C1)OC[C@@H]2O AT23844 [0,1,0,1,0,0|1,0,1]=4 266 B12R2.132 O[C@H]1COC2=C1C=C(Cl)C=C2 AT23846 [0,1,0,1,0,0|1,0,1]=4 267 B12R2.132 O[C@H]1COC2=C1C=C(F)C=C2 AT23851 [0,1,0,1,0,0|1,0,1]=4 268 B12R2.1 O=CC1=C2C=CC=CC2=NO1 AC6722 [0,1,0,1,0,0|1,0,0]=3 269 B12R2.1 O=C[C@@H]1COC2=C1C=CC=C2 AT24011 [0,1,0,1,0,0|1,0,1]=4 270 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 86172 [0,1,0,1,0,0|1,0,1]=4 271 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 AT24013 [0,1,0,1,0,0|1,0,1]=4 272 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 AT24014 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.11 NC1=C(C=O)OC=C1 D74825 [1,0,0,0,1,0|2,0,0]=4 274 B8R1.11 O=CC1=C(Cl)C=CN1 P10927 [1,0,0,0,1,0|2,0,0]=4 275 B8R1.11 O=CC1=C(Cl)C=CO1 AC2692 [1,0,0,0,1,0|2,0,0]=4 276 B8R1.11 O=CC1=C(F)C=CS1 D74567 [1,0,0,0,1,0|2,0,0]=4 277 B8R1.11 O=CC1=CSC=C1F AT17070 [1,0,0,0,1,0|2,0,0]=4 278 B12R1.125 O=C(O)CCC1=CC=CN=C1Br F30825 [0,0,0,0,0,2|2,0,0]=4