0 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 N=C(N)C1=CC=CN=N1 F30256 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 N=C(N)C1=CC=NC=C1 71449 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.6 NC(=O)C1=NC=CC=N1 C11052 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 O=C([O-])C1=NN=CC=N1 D72030 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 O=[N+]([O-])C1=CN=CN=C1 C14718 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.6 [2H]N([2H])C1=CC=CC=C1 D98688 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.2 BrCC1=CN=CN=C1 F52462 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.2 C=CC1=CC=CN=C1 71366 [1,0,0,0,0,0|0,0,1]=2 20 B8R1.2 C=CC1=NC=CN=C1 T72447 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.2 CNC1=CC=CN=N1 79165 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.2 NCC1=CC=CC=C1 T70846 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.2 NNC1=CC=CN=N1 C15759 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 SCC1=NC=CN=C1 78318 [1,0,0,0,0,0|1,1,1]=4 25 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.13 CC(C)C1=NN=C(Br)C=C1 C14147 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.13 CC1=CC=C(N(C)N)N=N1 20185 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56573 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.13 CC1=NC=C(C(N)=O)C=N1 81927 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [0,1,0,0,0,0|1,0,1]=3 35 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [0,1,0,0,0,0|1,0,1]=3 36 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10886 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10887 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 C90363 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.13 CC1=NC=C([C@H](C)O)C=N1 AT10878 [0,1,0,0,0,0|1,0,2]=4 40 B10R1.13 CC1=NC=C([N+](=O)[O-])C=N1 P10108 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.13 CN(C)C1=CN=C(I)C=N1 O11454 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [0,1,0,0,0,0|1,0,1]=3 46 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,1,0,0,0,0|0,0,2]=3 47 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 N13142 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.13 NC(=O)C1=CN=C(N)N=C1 81842 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.13 NC(=O)C1=NN=C(Br)C=C1 D76262 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.13 NC(=O)C1=NNC(=O)C=C1 AC6451 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.13 NC1=NC=C(C(F)F)C=C1 W16938 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.13 O=C(Cl)C1=CN=C(Cl)N=C1 C14171 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.13 O=C(O)C1=CN=C(S)N=C1 AT18396 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.15 C#C[C@@H](O)C1=CN=CC=C1 AC5787 [0,1,0,0,0,0|0,0,3]=4 55 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.15 COC(=N)C1=CC=NC=C1 D87808 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.15 COC(=O)N1C=CC=CC1 F21432 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [0,1,0,0,0,0|1,0,1]=3 66 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [0,1,0,0,0,0|1,0,1]=3 67 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [0,1,0,0,0,0|1,0,2]=4 68 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [0,1,0,0,0,0|1,0,2]=4 69 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [0,1,0,0,0,0|1,0,2]=4 70 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [0,1,0,0,0,0|1,0,2]=4 71 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,1,0,0,0,0|0,0,0]=1 72 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,1,0,0,0,0|0,0,0]=1 73 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [0,1,0,0,0,0|0,0,2]=3 74 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [0,1,0,0,0,0|1,0,1]=3 75 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.15 O=C(CBr)C1=NC=CC=N1 F19759 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.15 O=C(CBr)C1=NC=NC=C1 FD10496 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [0,1,0,0,0,0|0,0,0]=1 80 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [0,1,0,0,0,0|0,0,2]=3 81 B10R1.28 CC(C)(C)C1=NC=CN=C1 T70779 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.28 ClC(Cl)(Cl)C1=CN=CC=C1 C71811 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 I11569 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.28 [2H]C(C)(C)C1=CC=CC=C1 D98007 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.28 [2H]C([2H])(C)C1=CC=CC=C1 D99069 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.28 [2H][C@@](C)(O)C1=CC=CC=C1 D98825 [0,1,0,0,0,0|1,0,2]=4 87 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [0,1,0,0,0,0|0,0,0]=1 89 B10R1.61 CC(=O)C1=C(C)C=NC=C1 28203 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [0,1,0,0,0,0|0,0,0]=1 91 B10R1.61 CC(=O)C1=C(N)C=NC=C1 W18377 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [0,1,0,0,0,0|0,0,1]=2 94 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.61 CC(=O)C1=NC=NC=C1C O10307 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.61 CC(C)C1=CN=CN=C1Cl H10240 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.61 CC(C)C1=NC=CN=C1Cl AT24532 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.61 CC(C)C1=NC=CN=C1N 60031 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.61 CC(C)C1=NC=CN=C1N W15952 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [0,1,0,0,0,0|1,0,1]=3 105 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [0,1,0,0,0,0|0,0,2]=3 106 B10R1.61 FC(F)C1=CC=CN=C1Br 79327 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.61 NC(=O)C1=C(F)C=NC=C1 55531 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [0,1,0,0,0,0|1,0,0]=2 110 B10R1.61 NC(=S)C1=CC=CN=C1Cl 31340 [0,1,0,0,0,0|1,1,0]=3 111 B10R1.61 NC1=C(B(O)O)C=NC=C1 AT12798 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.61 O=C(O)C1=CN=CN=C1Cl F10440 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.61 O=C1NC=NC=C1[N+](=O)[O-] O11482 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.61 O=[N+]([O-])C1=CC=CN=C1I AB10380 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.61 O=[N+]([O-])C1=CC=CN=C1S T72399 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.61 OB(O)C1=C(Br)C=CN=C1 FD10196 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 AT14944 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.61 OB(O)C1=C(F)C=CN=C1 FD10200 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.113 CC(=O)C1=CC(Cl)=NC=N1 91059 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N10343 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 90822 [0,1,0,0,0,0|1,0,1]=3 132 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 90825 [0,1,0,0,0,0|1,0,1]=3 133 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N10537 [0,1,0,0,0,0|1,0,1]=3 134 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N13087 [0,1,0,0,0,0|1,0,1]=3 135 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.113 C[C@H](O)C1=CC(F)=CN=C1 AT10686 [0,1,0,0,0,0|0,0,2]=3 139 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [0,1,0,0,0,0|1,0,2]=4 140 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [0,1,0,0,0,0|1,0,2]=4 141 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.113 FC(F)C1=CC(Cl)=CN=C1 94167 [0,1,0,0,0,0|2,0,1]=4 144 B10R1.113 NC(=O)C1=CN=CC(Br)=N1 W17936 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.113 NC(=S)C1=CC=CC(I)=C1 A10482 [0,1,0,0,0,0|2,1,0]=4 146 B10R1.113 NC1=CC(B(O)O)=CN=C1 AT14947 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.113 O=[N+]([O-])C1=CC=CC(S)=C1 AT20860 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.113 OB(O)C1=CC(O)=CN=C1 AT14949 [0,1,0,0,0,0|2,0,1]=4 152 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.7 C=C(C)C1=NC=CS1 T71747 [0,0,0,0,1,0|2,0,0]=3 154 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,0,0,0,1,0|1,0,0]=2 155 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,0,0,0,1,0|1,0,0]=2 156 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [0,0,0,0,1,0|1,0,0]=2 157 B8R1.7 CC(=O)C1=NCCC1 H10253 [0,0,0,0,1,0|0,0,3]=4 158 B8R1.7 CC(=O)C1=NNC=N1 AT12117 [0,0,0,0,1,0|2,0,0]=3 159 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,0,0,0,1,0|2,0,1]=4 160 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,0,0,0,1,0|2,0,1]=4 161 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,0,0,0,1,0|2,0,1]=4 162 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [0,0,0,0,1,0|2,0,1]=4 163 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [0,0,0,0,1,0|2,0,1]=4 164 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [0,0,0,0,1,0|2,0,1]=4 165 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,0,0,0,1,0|2,0,1]=4 166 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,0,0,0,1,0|2,0,1]=4 167 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,0,0,0,1,0|2,0,1]=4 168 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,0,0,0,1,0|2,0,1]=4 169 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,0,0,0,1,0|2,0,1]=4 170 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,0,0,0,1,0|2,0,1]=4 171 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,0,0,0,1,0|2,0,1]=4 172 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,0,0,0,1,0|2,0,1]=4 173 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,0,0,0,1,0|2,0,1]=4 174 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,0,0,0,1,0|2,0,1]=4 175 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,0,0,0,1,0|2,0,1]=4 176 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,0,0,0,1,0|1,0,2]=4 177 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,0,0,0,1,0|1,0,2]=4 178 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,0,0,0,1,0|1,0,2]=4 179 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [0,0,0,0,1,0|1,0,2]=4 180 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [0,0,0,0,1,0|1,0,2]=4 181 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [0,0,0,0,1,0|1,0,2]=4 182 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,0,0,0,1,0|1,0,2]=4 183 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,0,0,0,1,0|1,0,2]=4 184 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [0,0,0,0,1,0|1,0,2]=4 185 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [0,0,0,0,1,0|1,0,2]=4 186 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [0,0,0,0,1,0|1,0,2]=4 187 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [0,0,0,0,1,0|1,0,2]=4 188 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [0,0,0,0,1,0|1,0,2]=4 189 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,0,0,0,1,0|1,0,2]=4 190 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,0,0,0,1,0|1,0,2]=4 191 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,0,0,0,1,0|1,0,2]=4 192 B8R1.7 N=C(N)C1=CC=CN1 F18689 [0,0,0,0,1,0|2,0,1]=4 193 B8R1.7 N=C(N)C1=NC=CN1 38079 [0,0,0,0,1,0|3,0,0]=4 194 B8R1.7 N=C(N)C1=NC=CN1 P15498 [0,0,0,0,1,0|3,0,0]=4 195 B8R1.7 NC(=O)C1=NOC=C1 AT19826 [0,0,0,0,1,0|2,0,0]=3 196 B8R1.7 NC(=S)C1=CC=CO1 F11945 [0,0,0,0,1,0|2,1,0]=4 197 B8R1.7 NC(=S)C1=CC=NN1 D79737 [0,0,0,0,1,0|2,1,0]=4 198 B8R1.7 NC(=S)C1=CN=CS1 AT14770 [0,0,0,0,1,0|2,1,0]=4 199 B8R1.7 NC(=S)C1=COC=C1 AT17536 [0,0,0,0,1,0|2,1,0]=4 200 B8R1.7 NC(=S)C1=NC=CS1 AT14697 [0,0,0,0,1,0|2,1,0]=4 201 B8R1.7 O=C(Cl)C1=COC=N1 D78648 [0,0,0,0,1,0|2,0,0]=3 202 B8R1.7 O=C(Cl)C1=NON=C1 F10297 [0,0,0,0,1,0|3,0,0]=4 203 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [0,0,0,0,1,0|2,0,0]=3 204 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [0,0,0,0,1,0|3,0,0]=4 205 B10R1.18 CC(=O)NC1=CN=CN=C1 F18145 [0,0,0,0,0,1|1,0,0]=2 206 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,0,0,0,0,1|1,0,0]=2 207 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,0,0,0,0,1|1,0,2]=4 208 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,0,0,0,0,1|1,0,2]=4 209 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,0,0,0,0,1|1,0,0]=2 210 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.18 NC(=O)CC1=CN=CN=C1 FD7229 [0,0,0,0,0,1|2,0,0]=3 212 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [0,0,0,0,0,1|3,0,0]=4 213 B7R1.3 ClC1=CN=NC=C1 F19795 [2,0,0,0,0,0|2,0,0]=4 214 B7R1.3 FC1=CN=CN=C1 F14737 [2,0,0,0,0,0|2,0,0]=4 215 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [2,0,0,0,0,0|2,0,0]=4 216 B7R1.3 O=C1C=NCN=C1 36727 [2,0,0,0,0,0|1,0,1]=4 217 B7R1.3 O=C1C=NN=CN1 F30273 [2,0,0,0,0,0|2,0,0]=4 218 B7R1.3 OC1=CN=NC=C1 O12057 [2,0,0,0,0,0|1,0,1]=4 219 B7R1.3 SC1=NN=CC=C1 AT13031 [2,0,0,0,0,0|1,1,0]=4 220 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [2,0,0,0,0,0|2,0,0]=4 221 B7R1.3 [2H]C1=CC=CC=C1 D98570 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.1 C=CC1=CN=C(C)N=C1 P14948 [1,1,0,0,0,0|1,0,1]=4 223 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [1,1,0,0,0,0|0,0,1]=3 224 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [1,1,0,0,0,0|1,0,1]=4 225 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [1,1,0,0,0,0|1,0,1]=4 226 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.1 COC1=CN=C(I)C=C1 F17075 [1,1,0,0,0,0|1,0,0]=3 230 B9R1.1 COC1=CN=C(I)C=N1 D75305 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.1 CSC1=CN=C(N)N=C1 C16305 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.1 CSC1=NC=C(N)N=C1 92096 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.1 CSC1=NN=C(Br)C=C1 AT17781 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [1,1,0,0,0,0|1,0,1]=4 236 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [1,1,0,0,0,0|1,0,1]=4 237 B9R1.1 NNC1=CN=C(Br)C=C1 68947 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.1 NNC1=CN=C(Br)C=C1 W15223 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.1 O=CC1=CN=C(Br)N=C1 55465 [1,1,0,0,0,0|1,0,0]=3 240 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [1,1,0,0,0,0|1,0,0]=3 241 B9R1.2 C#CC1=CC(C)=CN=C1 AT12963 [1,1,0,0,0,0|0,0,2]=4 242 B9R1.2 C#CC1=CN=CC(N)=C1 C76102 [1,1,0,0,0,0|0,0,2]=4 243 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [1,1,0,0,0,0|1,0,1]=4 244 B9R1.2 CCC1=CC(Cl)=NN=C1 S11387 [1,1,0,0,0,0|1,0,1]=4 245 B9R1.2 COC1=CN=CC(N)=C1 P11509 [1,1,0,0,0,0|1,0,0]=3 246 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [1,1,0,0,0,0|1,0,0]=3 247 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [1,1,0,0,0,0|1,0,1]=4 249 B9R1.2 NC1=NC=CC(C=O)=C1 O10660 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [1,1,0,0,0,0|1,0,1]=4 251 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [1,1,0,0,0,0|0,0,0]=2 252 B9R1.8 BrC#CC1=CN=CC=C1 50128 [1,1,0,0,0,0|0,0,2]=4 253 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,1,0,0,0,0|0,0,1]=3 254 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,1,0,0,0,0|0,0,1]=3 255 B9R1.8 CCNC1=NC=CN=C1 C76036 [1,1,0,0,0,0|1,0,1]=4 256 B9R1.8 CNCC1=CN=CN=C1 38577 [1,1,0,0,0,0|1,0,1]=4 257 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.8 FCCC1=CC=CC=C1 75534 [1,1,0,0,0,0|1,0,1]=4 259 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,1,0,0,0,0|1,0,1]=4 260 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,1,0,0,0,0|1,0,1]=4 261 B9R1.8 NCCC1=NC=CN=C1 AT22557 [1,1,0,0,0,0|1,0,1]=4 262 B9R1.8 OCCC1=NN=CC=C1 D77083 [1,1,0,0,0,0|1,0,1]=4 263 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [1,1,0,0,0,0|0,0,2]=4 264 B9R1.15 C#CC1=C(C)C=CN=C1 AT12962 [1,1,0,0,0,0|0,0,2]=4 265 B9R1.15 C#CC1=CC=CN=C1C AT12964 [1,1,0,0,0,0|0,0,2]=4 266 B9R1.15 C#CC1=CC=CN=C1Cl AT12435 [1,1,0,0,0,0|0,0,2]=4 267 B9R1.15 C#CC1=CC=CN=C1N 72370 [1,1,0,0,0,0|0,0,2]=4 268 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [1,1,0,0,0,0|1,0,1]=4 269 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [1,1,0,0,0,0|0,0,1]=3 270 B9R1.15 C=CC1=CC=CN=C1F P13082 [1,1,0,0,0,0|0,0,1]=3 271 B9R1.15 CC1=C(C=O)C=NC=N1 O11269 [1,1,0,0,0,0|1,0,0]=3 272 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [1,1,0,0,0,0|1,0,1]=4 273 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [1,1,0,0,0,0|1,0,1]=4 274 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [1,1,0,0,0,0|1,0,1]=4 275 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [1,1,0,0,0,0|1,0,1]=4 276 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [1,1,0,0,0,0|0,0,1]=3 277 B9R1.15 CCC1=C(N)N=NC=C1 S11451 [1,1,0,0,0,0|1,0,1]=4 278 B9R1.15 CCC1=CC=CN=C1C 75814 [1,1,0,0,0,0|0,0,1]=3 279 B9R1.15 CCC1=CN=CN=C1O C15413 [1,1,0,0,0,0|1,0,1]=4 280 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [1,1,0,0,0,0|1,0,0]=3 281 B9R1.15 COC1=CN=CN=C1Br O11184 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.15 ClCC1=CC=CN=C1Br 55187 [1,1,0,0,0,0|1,0,1]=4 283 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [1,1,0,0,0,0|1,0,1]=4 284 B9R1.15 N#CC1=C(S)C=CN=C1 C77520 [1,1,0,0,0,0|1,0,1]=4 285 B9R1.15 NC1=C(C=O)C=NC=C1 W12249 [1,1,0,0,0,0|0,0,0]=2 286 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [1,1,0,0,0,0|1,0,1]=4 287 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [1,1,0,0,0,0|1,0,1]=4 288 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [1,1,0,0,0,0|1,0,1]=4 289 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [1,1,0,0,0,0|1,0,1]=4 290 B9R1.15 NCC1=CC=CN=C1Cl 37571 [1,1,0,0,0,0|1,0,1]=4 291 B9R1.15 NCC1=CC=CN=C1N CL0345 [1,1,0,0,0,0|1,0,1]=4 292 B9R1.15 NNC1=CC=CN=C1Cl D76828 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.15 O=CC1=CNC=CC1=O O11278 [1,1,0,0,0,0|0,0,1]=3 294 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [1,1,0,0,0,0|0,0,2]=4 295 B9R1.11 COC(=O)C1=NOC=C1 AT19828 [0,1,0,0,1,0|1,0,0]=3 296 B9R1.11 COC(=O)C1=NSC=C1 AT21127 [0,1,0,0,1,0|1,0,0]=3 297 B9R1.11 C\C(=N/O)C1=CC=CS1 W18710 [0,1,0,0,1,0|1,0,1]=4 298 B9R1.11 NNC(=O)C1=CC=NN1 P10142 [0,1,0,0,1,0|2,0,0]=4 299 B9R1.11 O=C(CBr)C1=CN=CS1 D74482 [0,1,0,0,1,0|1,0,0]=3 300 B9R1.11 O=C(CBr)C1=CSC=N1 79583 [0,1,0,0,1,0|1,0,0]=3 301 B9R1.11 O=C(CBr)C1=NC=CS1 AC5165 [0,1,0,0,1,0|1,0,0]=3 302 B9R1.11 O=C(CCl)C1=CC=NS1 AT21156 [0,1,0,0,1,0|1,0,0]=3 303 B9R1.11 O=C(CCl)C1=CN=CO1 AT18682 [0,1,0,0,1,0|1,0,0]=3 304 B9R1.11 O=C(CCl)C1=CSN=C1 AT21136 [0,1,0,0,1,0|1,0,0]=3 305 B9R1.11 O=C(CCl)C1=NOC=C1 AT19853 [0,1,0,0,1,0|1,0,0]=3 306 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [0,1,0,0,1,0|1,0,0]=3 307 B9R1.11 O=CC(=O)C1=CSC=C1 AT16766 [0,1,0,0,1,0|1,0,1]=4 308 B9R1.19 CS(=O)(=O)C1=CNN=C1 AC4529 [0,1,0,0,1,0|2,0,0]=4 309 B9R1.19 CS(=O)(=O)C1=NC=CN1 AC1454 [0,1,0,0,1,0|2,0,0]=4 310 B9R1.35 CC(=O)C1=CC(Br)=NO1 AT19699 [0,1,0,0,1,0|1,0,0]=3 311 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [0,1,0,0,1,0|0,0,1]=3 312 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [0,1,0,0,1,0|1,0,0]=3 313 B9R1.35 CC(=O)C1=CN(C)C=N1 AT21668 [0,1,0,0,1,0|1,0,0]=3 314 B9R1.35 CC(=O)C1=NC(C)=CN1 I10088 [0,1,0,0,1,0|1,0,0]=3 315 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [0,1,0,0,1,0|1,0,0]=3 316 B9R1.35 CC1=CC(C(N)=O)=NN1 N12273 [0,1,0,0,1,0|2,0,0]=4 317 B9R1.35 CC1=NOC(C(N)=O)=C1 C11163 [0,1,0,0,1,0|2,0,0]=4 318 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [0,1,0,0,1,0|2,0,0]=4 319 B9R1.35 CN1C=C(C(=O)Cl)C=N1 AT16091 [0,1,0,0,1,0|2,0,0]=4 320 B9R1.35 CN1C=CC(C(=O)Cl)=N1 79491 [0,1,0,0,1,0|2,0,0]=4 321 B9R1.35 CN1C=NC(C(N)=O)=C1 24458 [0,1,0,0,1,0|2,0,0]=4 322 B9R1.35 NC(=O)C1=CC(Br)=CS1 C76680 [0,1,0,0,1,0|2,0,0]=4 323 B9R1.35 NC(=O)C1=CC(O)=NO1 C72596 [0,1,0,0,1,0|2,0,0]=4 324 B9R1.35 NC(=O)N1C=C(Br)C=N1 W19306 [0,1,0,0,1,0|2,0,0]=4 325 B9R1.35 NC1=CN=C(C(=O)O)S1 38504 [0,1,0,0,1,0|2,0,0]=4 326 B9R1.35 NC1=CN=C(C(=O)O)S1 70896 [0,1,0,0,1,0|2,0,0]=4 327 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [0,1,0,0,1,0|2,0,0]=4 328 B9R1.35 NC1=NOC(C(=O)O)=C1 D78674 [0,1,0,0,1,0|2,0,0]=4 329 B9R1.35 O=C(Cl)C1=CC=C(Cl)O1 AT17320 [0,1,0,0,1,0|2,0,0]=4 330 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [0,1,0,0,1,0|2,0,0]=4 331 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [0,1,0,0,1,0|1,0,1]=4 332 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [0,1,0,0,1,0|1,0,1]=4 333 B9R1.35 O=C(O)C1=CN=C(Cl)N1 AT15386 [0,1,0,0,1,0|2,0,0]=4 334 B9R1.35 O=C(O)C1=CN=C(I)O1 C91097 [0,1,0,0,1,0|2,0,0]=4 335 B9R1.35 O=C(O)C1=CSC(S)=N1 AT14870 [0,1,0,0,1,0|2,0,0]=4 336 B9R1.35 O=C(O)C1=NC(Cl)=CS1 AT14689 [0,1,0,0,1,0|2,0,0]=4 337 B9R1.35 O=C([O-])C1=NC=C(Br)S1 AT14693 [0,1,0,0,1,0|2,0,0]=4 338 B9R1.41 CC(=O)C1=C(Br)C=CO1 AT17466 [0,1,0,0,1,0|1,0,0]=3 339 B9R1.41 CC(=O)C1=C(O)C=CS1 AT16388 [0,1,0,0,1,0|1,0,0]=3 340 B9R1.41 CC(=O)N1C=COC1=O C16070 [0,1,0,0,1,0|2,0,0]=4 341 B9R1.41 CC1=C(C(=O)Cl)OC=N1 AT23456 [0,1,0,0,1,0|2,0,0]=4 342 B9R1.41 CC1=C(C(=O)O)SN=C1 AT21154 [0,1,0,0,1,0|2,0,0]=4 343 B9R1.41 CC1=C(C(N)=O)N=CO1 58493 [0,1,0,0,1,0|2,0,0]=4 344 B9R1.41 CC1=CNC=C1C(=O)O 71038 [0,1,0,0,1,0|1,0,1]=4 345 B9R1.41 CC1=COC=C1C(=O)O 72440 [0,1,0,0,1,0|2,0,0]=4 346 B9R1.41 CC1=CON=C1C(N)=O 95085 [0,1,0,0,1,0|2,0,0]=4 347 B9R1.41 CC1=CSC=C1C(=O)Cl AT17065 [0,1,0,0,1,0|2,0,0]=4 348 B9R1.41 CN1C=CN=C1C(=O)Cl AT15683 [0,1,0,0,1,0|2,0,0]=4 349 B9R1.41 NC(=O)C1=C(Br)SC=N1 C14022 [0,1,0,0,1,0|2,0,0]=4 350 B9R1.41 NC(=O)C1=C(F)C=CS1 92876 [0,1,0,0,1,0|2,0,0]=4 351 B9R1.41 NC(=O)C1=C(N)C=CO1 AC5297 [0,1,0,0,1,0|2,0,0]=4 352 B9R1.41 NC(=O)C1=C(O)C=CS1 75845 [0,1,0,0,1,0|2,0,0]=4 353 B9R1.41 NC(=O)C1=NSC=C1Br D80071 [0,1,0,0,1,0|2,0,0]=4 354 B9R1.41 NC1=C(C(=O)O)N=CN1 C90485 [0,1,0,0,1,0|2,0,0]=4 355 B9R1.41 NC1=CSN=C1C(=O)O AT21158 [0,1,0,0,1,0|2,0,0]=4 356 B9R1.41 O=C(O)C1=C(Br)OC=C1 AT17113 [0,1,0,0,1,0|2,0,0]=4 357 B9R1.41 O=C(O)C1=C(Cl)N=CS1 AT15210 [0,1,0,0,1,0|2,0,0]=4 358 B9R1.41 O=C(O)C1=C(F)NN=C1 C92334 [0,1,0,0,1,0|2,0,0]=4 359 B9R1.41 O=C(O)C1=CNC=C1Br AT16233 [0,1,0,0,1,0|1,0,1]=4 360 B9R1.41 O=C(O)C1=CNN=C1I E72213 [0,1,0,0,1,0|2,0,0]=4 361 B9R1.41 O=C(O)C1=CSC=C1Cl AT14983 [0,1,0,0,1,0|2,0,0]=4 362 B9R1.41 O=C(O)C1=NSC=C1I AT21161 [0,1,0,0,1,0|2,0,0]=4 363 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N11494 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C91526 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.20 CN(C)CC1=CN=C(Cl)C=C1 D76265 [0,1,0,0,0,1|2,0,0]=4 366 B11R1.20 CN(C)CC1=CN=C(N)C=C1 N12638 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.20 NC(=O)CC1=NN=C(Cl)C=C1 W10904 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.36 CC(=O)N(C)C1=NC=CC=C1 63680 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [0,1,0,0,0,1|1,0,0]=3 371 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,1,0,0,0,1|1,0,0]=3 372 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 74043 [0,1,0,0,0,1|1,0,1]=4 373 B11R1.36 CC(C)[C@H](O)C1=CN=CC=C1 AC2743 [0,1,0,0,0,1|1,0,1]=4 374 B11R1.36 C[C@@H](C(=O)[O-])C1=NC=CN=C1 97744 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AT21867 [0,1,0,0,0,1|1,0,0]=3 376 B11R1.36 N[C@@H](C(=O)O)C1=NC=CN=C1 66504 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [0,1,0,0,0,1|1,1,0]=4 378 B11R1.40 COC(=O)CC1=CN=CN=C1 AT13806 [0,1,0,0,0,1|1,0,0]=3 379 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,1,0,0,0,1|1,0,1]=4 380 B11R1.40 N#CC(=O)CC1=CC=CC=C1 AC5929 [0,1,0,0,0,1|1,0,1]=4 381 B11R1.40 O=C(CCl)NC1=CN=CC=C1 C78463 [0,1,0,0,0,1|0,0,0]=2 382 B11R1.86 CC(=O)NC1=C(Br)C=CC=N1 F18386 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [0,1,0,0,0,1|0,0,0]=2 384 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 D71943 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.86 CC(=O)NC1=C(N)C=CN=C1 C16214 [0,1,0,0,0,1|0,0,0]=2 386 B11R1.86 CC(=O)NC1=NN=CC=C1C AC7622 [0,1,0,0,0,1|1,0,0]=3 387 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [0,1,0,0,0,1|1,0,0]=3 388 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 81280 [0,1,0,0,0,1|1,1,0]=4 389 B11R1.86 CC(C)OC1=C(N)C=CN=C1 AT18128 [0,1,0,0,0,1|1,0,1]=4 390 B11R1.86 CC1=NC=CN=C1CC(=O)O A51230 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,1,0,0,0,1|1,0,0]=3 392 B11R1.157 CC(=O)NC1=CC=CC(Cl)=N1 F17978 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.157 CC(=O)NC1=NN=CC(C)=C1 AC7585 [0,1,0,0,0,1|1,0,0]=3 394 B11R1.157 CC(C)OC1=CC(Br)=CN=C1 F19749 [0,1,0,0,0,1|1,0,1]=4 395 B11R1.157 C[S@](=O)CC1=CC(N)=CC=C1 AT15220 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 F19865 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 AT23257 [0,1,0,0,0,1|1,0,0]=3 398 B11R1.509 O=S(=O)(Cl)CC1=CN=CC=C1 AR1640 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [0,2,0,0,0,0|1,0,0]=3 400 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [0,2,0,0,0,0|0,0,0]=2 401 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 AC2109 [0,2,0,0,0,0|2,0,0]=4 402 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90831 [0,2,0,0,0,0|1,0,1]=4 404 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 N11219 [0,2,0,0,0,0|1,0,1]=4 405 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 10001 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.3 O=[N+]([O-])C1=CN=C(CBr)C=C1 D72031 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [0,2,0,0,0,0|2,0,0]=4 409 B11R1.19 CC(C)(C)C1=CN=C(O)C=C1 F13765 [0,2,0,0,0,0|1,0,1]=4 410 B11R1.19 CC(C)(N)C1=CN=C(Cl)C=C1 91211 [0,2,0,0,0,0|1,0,1]=4 411 B11R1.19 CC(C)(O)C1=CN=C(Br)C=C1 AB10226 [0,2,0,0,0,0|0,0,2]=4 412 B11R1.19 CC(C)(O)C1=CN=C(Cl)C=C1 AT10277 [0,2,0,0,0,0|0,0,2]=4 413 B11R1.19 CC(C)(O)C1=CN=C(F)C=C1 88188 [0,2,0,0,0,0|0,0,2]=4 414 B11R1.19 CC1=NC=C(S(=O)(=O)Cl)C=C1 AT18356 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.19 CP(C)(=O)C1=CC=C(F)C=C1 AT21937 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 D77062 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.19 CP(C)(=O)C1=CN=C(Cl)C=C1 AT13621 [0,2,0,0,0,0|1,0,0]=3 418 B11R1.19 CS(=O)(=O)C1=CN=C(N)C=C1 F10472 [0,2,0,0,0,0|1,0,0]=3 419 B11R1.19 CS(=O)(=O)C1=CN=C(N)N=C1 AT18401 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.19 CS(=O)(=O)C1=CNC(=O)C=C1 F30801 [0,2,0,0,0,0|1,0,1]=4 421 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W13286 [0,2,0,0,0,0|2,0,0]=4 422 B11R1.19 C[S@](=N)(=O)C1=CC=C(Cl)C=C1 AT11346 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.19 C[S@](=N)(=O)C1=CC=C(F)C=C1 W16235 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 69909 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1O P12272 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.21 NC(=O)C1=CC(F)=C(O)C=C1 D96313 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.21 NC(=O)C1=CC(N)=C(O)C=C1 D87298 [0,2,0,0,0,0|2,0,0]=4 428 B11R1.21 NC(=O)C1=CC(O)=C(I)C=C1 D77904 [0,2,0,0,0,0|2,0,0]=4 429 B11R1.21 NC1=NC=C(C(=O)O)N=C1I P13455 [0,2,0,0,0,0|2,0,0]=4 430 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 76037 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.21 O=C(O)C1=CC(I)=C(O)N=C1 AC6008 [0,2,0,0,0,0|1,0,0]=3 432 B11R1.21 O=C(O)C1=CN=C(Br)C(Cl)=C1 AT10807 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.21 O=C(O)C1=CN=C(Br)C(O)=C1 AT21523 [0,2,0,0,0,0|1,0,0]=3 434 B11R1.21 O=[N+]([O-])C1=CN=C(I)C(Cl)=C1 87836 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [0,2,0,0,0,0|1,0,0]=3 436 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11154 [0,2,0,0,0,0|1,0,1]=4 438 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11155 [0,2,0,0,0,0|1,0,1]=4 439 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [0,2,0,0,0,0|0,0,0]=2 440 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [0,2,0,0,0,0|0,0,0]=2 441 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [0,2,0,0,0,0|0,0,0]=2 442 B11R1.22 CNC(=O)C1=CN=C(Cl)N=C1 C72448 [0,2,0,0,0,0|1,0,0]=3 443 B11R1.22 CNC(=O)C1=NC=C(N)C=C1 AT26730 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 AC7283 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,2,0,0,0,0|1,0,0]=3 446 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [0,2,0,0,0,0|1,0,0]=3 448 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [0,2,0,0,0,0|1,0,0]=3 449 B11R1.22 NCC(=O)C1=NC=C(Br)C=C1 90935 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.22 NC[C@H](N)C1=CN=C(Br)C=C1 N14910 [0,2,0,0,0,0|1,0,1]=4 451 B11R1.22 N[C@@H](CO)C1=CN=C(Br)C=C1 N11111 [0,2,0,0,0,0|1,0,1]=4 452 B11R1.22 O=C(CF)C1=CC=C(Br)C=C1 W17424 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.22 O=C([13CH2]Br)C1=CC=C(Br)C=C1 D97990 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,2,0,0,0,0|1,0,1]=4 456 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=N1 BL010230 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=N1 D79871 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.166 CC(=O)C1=C(Cl)C=C(C)C=C1 AT15339 [0,2,0,0,0,0|1,0,0]=3 459 B11R1.166 CC(=O)C1=C(O)C=C(I)C=C1 62926 [0,2,0,0,0,0|1,0,0]=3 460 B11R1.166 CC(=O)C1=CN=C(Br)C=C1C D80175 [0,2,0,0,0,0|0,0,0]=2 461 B11R1.166 CC(=O)C1=CNC(=O)N=C1C S10254 [0,2,0,0,0,0|1,0,0]=3 462 B11R1.166 CC(=O)C1=NC=C(Br)C=C1F 83702 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.166 CC(=O)C1=NC=C(Cl)N=C1Cl 58574 [0,2,0,0,0,0|1,0,0]=3 464 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 F13688 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.166 CC1=CC(Cl)=NC=C1C(N)=O D85781 [0,2,0,0,0,0|1,0,0]=3 466 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 N17088 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.166 CC1=CC(I)=NC=C1[N+](=O)[O-] 80259 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 25712 [0,2,0,0,0,0|1,0,0]=3 469 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=N1 P19552 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 N12689 [0,2,0,0,0,0|1,0,0]=3 471 B11R1.166 CC1=CC=C(C(C)C)C(N)=N1 AT11138 [0,2,0,0,0,0|1,0,1]=4 472 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 70364 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.166 C[C@H](O)C1=CC=C(Cl)N=C1Cl D75887 [0,2,0,0,0,0|0,0,2]=4 474 B11R1.166 NC(=O)C1=C(N)N=C(F)C=C1 F20285 [0,2,0,0,0,0|1,0,0]=3 475 B11R1.166 NC(=O)C1=C(O)C=C(O)N=C1 F12454 [0,2,0,0,0,0|1,0,0]=3 476 B11R1.166 NC(=O)C1=CN=C(Cl)C=C1N AT11356 [0,2,0,0,0,0|1,0,0]=3 477 B11R1.166 NC1=C(C(=O)O)C=NC(O)=C1 35476 [0,2,0,0,0,0|1,0,0]=3 478 B11R1.166 NC1=C([N+](=O)[O-])C=CC(I)=N1 H11906 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.166 NC1=CC(I)=C(C(=O)O)C=C1 D87628 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.166 NC1=NC(N)=C(C(=O)O)C=C1 AC4722 [0,2,0,0,0,0|1,0,0]=3 481 B11R1.166 O=C(Cl)C1=C(Br)C=C(F)C=C1 F17471 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.166 O=C(O)C1=C(S)C=C(Br)C=C1 AT20781 [0,2,0,0,0,0|2,0,0]=4 483 B11R1.166 O=C(O)C1=C(S)C=C(F)C=C1 AT20779 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.166 O=C(O)C1=NN=C(O)C=C1O W15300 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.166 O=[N+]([O-])C1=CC=C(F)N=C1Br 90684 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.7 CC(C)(C=O)C1=CC=CC=C1 AT22663 [0,2,0,0,0,0|1,0,1]=4 487 B11R1.16 [N-]=[N+]=CC(=O)C1=CC=CC=C1 AT25592 [0,2,0,0,0,0|1,0,1]=4 488 B11R1.23 CC1=CC=CC(C(=O)CO)=C1 AC3231 [0,2,0,0,0,0|1,0,0]=3 489 B11R1.23 CCC(=O)C1=CC(Br)=CN=C1 N14270 [0,2,0,0,0,0|0,0,0]=2 490 B11R1.23 CCC(=O)C1=CC(Cl)=NC=C1 N13049 [0,2,0,0,0,0|2,0,0]=4 491 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 34175 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 N13116 [0,2,0,0,0,0|2,0,0]=4 493 B11R1.23 COC(=O)C1=CC(I)=NN=C1 C92378 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.23 COC(=O)C1=CC(N)=NC=C1 W17825 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.23 COC(=O)C1=CC(S)=NC=C1 F18003 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.23 COC(=O)C1=CC=CC(I)=N1 C16472 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.23 COC(=O)C1=CN=CC(=O)N1 72441 [0,2,0,0,0,0|1,0,0]=3 498 B11R1.23 COC(=O)C1=NC=CC(O)=C1 AC3417 [0,2,0,0,0,0|2,0,0]=4 499 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 C77908 [0,2,0,0,0,0|1,0,0]=3 500 B11R1.23 N[C@@H](CO)C1=CC(F)=CN=C1 N14406 [0,2,0,0,0,0|1,0,1]=4 501 B11R1.23 N[C@@H](CO)C1=CC(F)=CN=C1 N14407 [0,2,0,0,0,0|1,0,1]=4 502 B11R1.23 O=C(CBr)C1=CC(Br)=NC=C1 AT22740 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.23 O=C(CBr)C1=NC=CC(Cl)=C1 C16275 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.23 O=C(CO)C1=CC=CC(Br)=C1 AC6088 [0,2,0,0,0,0|1,0,0]=3 505 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 AC5675 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 AB10250 [0,2,0,0,0,0|1,0,1]=4 507 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [0,2,0,0,0,0|1,0,0]=3 509 B11R1.222 CCC(=O)C1=C(Br)C=NC=C1 N14286 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.222 CCC(=O)C1=C(Cl)C=CN=C1 N14267 [0,2,0,0,0,0|0,0,0]=2 511 B11R1.222 CCC(=O)C1=C(F)C=CC=N1 N14248 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.222 CCC(=O)C1=C(F)C=NC=C1 N14283 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.222 CCC(=O)C1=CC=CN=C1Br N14264 [0,2,0,0,0,0|0,0,0]=2 514 B11R1.222 CCC(=O)C1=CC=CN=C1Cl N14262 [0,2,0,0,0,0|0,0,0]=2 515 B11R1.222 CCC(=O)C1=CC=CN=C1F N14261 [0,2,0,0,0,0|0,0,0]=2 516 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 E72599 [0,2,0,0,0,0|1,0,0]=3 518 B11R1.222 CNC(=O)C1=NC=CC=C1O C71661 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.222 COC(=N)C1=C(Br)C=CC=C1 AC5256 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.222 COC(=O)C1=C(C)C=NC=C1 CS1425 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.222 COC(=O)C1=CN=CN=C1Cl 31492 [0,2,0,0,0,0|1,0,0]=3 522 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 W12757 [0,2,0,0,0,0|1,0,1]=4 523 B11R1.222 NC1=C(C(=O)CCl)C=CC=C1 72272 [0,2,0,0,0,0|1,0,0]=3 524 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [0,2,0,0,0,0|1,0,0]=3 525 B11R1.222 O=C(CBr)C1=C(Cl)C=NC=C1 D88108 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.222 O=C(CBr)C1=NC=CC=C1F F13389 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.222 O=C(CCl)C1=C(Cl)C=CC=C1 D71120 [0,2,0,0,0,0|1,0,0]=3 528 B11R1.222 O=C(CF)C1=CC=CN=C1F AT10155 [0,2,0,0,0,0|0,0,0]=2 529 B11R1.222 O=C(CO)C1=C(Br)C=CC=C1 AC7495 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.222 O=C(CO)C1=C(F)C=CC=C1 AC5617 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.222 O=C(CO)C1=C(I)C=CC=C1 AC7053 [0,2,0,0,0,0|1,0,0]=3 532 B11R1.222 O[C@@H](CF)C1=CC=CN=C1F AT10158 [0,2,0,0,0,0|0,0,2]=4 533 B11R1.87 CC(C)(O)C1=CC=CN=C1F VT1237 [0,2,0,0,0,0|0,0,2]=4 534 B11R1.87 C[S@](=N)(=O)C1=C(Br)C=CC=C1 AT11347 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.87 C[S@](=N)(=O)C1=C(Cl)C=CC=C1 AT11351 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.87 C[S@](=N)(=O)C1=C(F)C=CC=C1 AT11350 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.87 O=S(=O)(Cl)C1=C(F)N=CC=C1 AT11611 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1Br CK2609 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 P12300 [0,2,0,0,0,0|1,0,1]=4 540 B11R1.155 CC(C)(O)C1=CC(Br)=CN=C1 AC8886 [0,2,0,0,0,0|0,0,2]=4 541 B11R1.155 CP(C)(=O)C1=CC(N)=CC=C1 AT13373 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.155 CS(=O)(=O)C1=CN=CC(O)=C1 C90672 [0,2,0,0,0,0|1,0,0]=3 543 B11R1.155 C[S@](=N)(=O)C1=CC(F)=CC=C1 AT11349 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.155 C[S@](=N)(=O)C1=CC=CC(Br)=C1 C92921 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.155 C[S@](=N)(=O)C1=CC=CC(Cl)=C1 AT11348 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.155 O=S(=O)(Cl)C1=CN=CC(Cl)=C1 P18253 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 O10854 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.53 CCC1=C(C(C)=O)C=CN=C1 CL0371 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.53 CCC1=C([N+](=O)[O-])C=CC=N1 P12962 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.53 COC1=C(C(N)=O)C=CC=N1 D87306 [0,2,0,0,0,0|1,0,0]=3 551 B11R1.53 COC1=C([C@H](C)N)C=NC=C1 Y12493 [0,2,0,0,0,0|1,0,1]=4 552 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 AC5882 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.53 N#CC1=C(C(=O)Cl)C=CC=C1 D87858 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.53 N#CC1=C(C(N)=O)C=CC=C1 T70416 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.53 NCC1=C([N+](=O)[O-])C=CC=N1 W13447 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.53 O=CC1=C(C(=O)O)C=CC=N1 O10788 [0,2,0,0,0,0|1,0,0]=3 557 B11R1.53 O=CC1=C([N+](=O)[O-])C=NC=C1 36626 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.156 CC(=O)C1=C(Br)C=CC=C1N C75622 [0,2,0,0,0,0|1,0,0]=3 559 B11R1.156 CC(=O)C1=C(Br)C=CN=C1Cl 55294 [0,2,0,0,0,0|0,0,0]=2 560 B11R1.156 CC1=CC=CC(Br)=C1C(N)=O F13400 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.156 CC1=CC=CC(I)=C1C(=O)O 81915 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.156 CC1=NC=CC(Cl)=C1C(=O)O C16695 [0,2,0,0,0,0|1,0,0]=3 563 B11R1.156 CC1=NC=CC(O)=C1[N+](=O)[O-] W15244 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.156 C[C@H](O)C1=C(I)C=CN=C1F AT16504 [0,2,0,0,0,0|0,0,2]=4 565 B11R1.156 NC(=O)C1=C(Br)C=CC=C1N AC2939 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.156 NC(=O)C1=C(F)C=CC=C1O C13392 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.156 NC1=CC=CC(O)=C1C(=O)O 26442 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.156 NC1=CC=NC(O)=C1[N+](=O)[O-] F17483 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.156 O=C(Cl)C1=C(I)C=CC=C1Cl F20996 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.159 C=C(C)C1=C(N)C(C)=CC=C1 F18673 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.159 CC(=O)C1=C(C)C(N)=CC=C1 O10268 [0,2,0,0,0,0|1,0,0]=3 572 B11R1.159 CC(=O)C1=C(C)C(O)=CC=C1 C76227 [0,2,0,0,0,0|1,0,0]=3 573 B11R1.159 CC(=O)C1=C(F)C(Cl)=NC=C1 AT26683 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1I 94553 [0,2,0,0,0,0|1,0,0]=3 575 B11R1.159 CC(=O)C1=CC=CC(O)=C1F AT11003 [0,2,0,0,0,0|1,0,0]=3 576 B11R1.159 CC1=C(C(N)=O)C=CC=C1N 93043 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.159 CC1=CC=CC(C(N)=O)=C1Cl D87582 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.159 CC1=CC=CC(C(N)=O)=C1O AC4144 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.159 CC1=CN=CC(C(=O)O)=C1O AT13143 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.159 CN1C=NC=C(C(=O)O)C1=O AT13877 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.159 NC(=O)C1=C(N)C(N)=CC=C1 F12396 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.159 NC(=O)C1=CC=CC(S)=C1Cl 92372 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.159 NC1=C(C(=O)O)C=CC=C1O T72518 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.159 O=C(O)C1=CC=CC(I)=C1O AT10718 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.159 O=[N+]([O-])C1=CN=CC(I)=C1O D74465 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.167 CC(=O)C1=C(C)C=CC(Cl)=C1 F52542 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.167 CC(=O)C1=C(N)C=CC(O)=C1 32344 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.167 CC(=O)C1=CC(Br)=NN=C1Br 81572 [0,2,0,0,0,0|1,0,0]=3 589 B11R1.167 CC(=O)C1=CC(C)=CN=C1F N13305 [0,2,0,0,0,0|0,0,0]=2 590 B11R1.167 CC(=O)C1=CC(Cl)=NC=C1F AT18807 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.167 CC(=O)C1=CC(Cl)=NC=C1N 92761 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.167 CC1=C(C(=O)Cl)C=C(Br)C=C1 C15328 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.167 CC1=C(C(=O)Cl)C=C(Cl)C=C1 F52326 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.167 CC1=C(C(N)=O)C=C(Cl)C=C1 F52323 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.167 CC1=CC([N+](=O)[O-])=C(C)N=C1 D80170 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.167 CC1=CN=C(Br)C(C(=O)O)=C1 C16185 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.167 CC1=CN=C(F)C([C@H](C)O)=C1 N13304 [0,2,0,0,0,0|0,0,2]=4 598 B11R1.167 NC(=O)C1=CC(F)=CN=C1Cl 81871 [0,2,0,0,0,0|1,0,0]=3 599 B11R1.167 O=C(Cl)C1=C(F)C=CC(Br)=C1 F17494 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.167 O=C(Cl)C1=C(I)C=CC(Br)=C1 AC5820 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.167 O=C(O)C1=C(S)C=CC(Br)=C1 S10260 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.167 O=C(O)C1=C(S)C=CC(Cl)=C1 AT20778 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.167 O=C(O)C1=CC(I)=CN=C1F 98093 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.74 CC(=O)C1=CC(C)=NC(C)=C1 90618 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.74 CC(=O)C1=CC(F)=CC(O)=C1 C90880 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.74 NC(=O)C1=CC(Br)=CC(Cl)=C1 C13391 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Cl)=C1 75770 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.266 C#CC1=CC=CC(C(C)=O)=C1 C77890 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.266 C=CC1=CC=CC(C(C)=O)=C1 75088 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 CL9709 [0,2,0,0,0,0|1,0,0]=3 611 B11R1.266 CC(=O)C1=CC=CC(CBr)=C1 72814 [0,2,0,0,0,0|1,0,0]=3 612 B11R1.266 CC(=O)C1=NC=CC(C#N)=C1 50485 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.266 COC1=CN=CC(C(N)=O)=N1 D75899 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 S11363 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.266 O=CC1=CC(C(=O)O)=CN=C1 AT13148 [0,2,0,0,0,0|1,0,0]=3 616 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,0,1,1,0,0|1,0,1]=4 617 B9R1.13 CC(=O)CN1C=CC=N1 AT23998 [0,0,1,1,0,0|1,0,1]=4 618 B9R1.13 CC(=O)NC1=CNN=C1 AT23103 [0,0,1,1,0,0|2,0,0]=4 619 B11R2.10 CC1=NC2=C(C=NC=C2)O1 A11329 [0,0,0,1,0,1|1,0,0]=3 620 B11R2.10 CC1=NC2=CC=CN=C2N1 F19908 [0,0,0,1,0,1|1,0,0]=3 621 B11R2.10 CC1=NC2=CC=CN=C2S1 75584 [0,0,0,1,0,1|0,1,0]=3 622 B11R2.10 CC1=NC2=NC=CN=C2N1 70074 [0,0,0,1,0,1|2,0,0]=4 623 B11R2.10 CC1=NN2C=CC=NC2=N1 D74494 [0,0,0,1,0,1|2,0,0]=4 624 B11R2.10 CC1=NN2C=CN=CC2=N1 F13449 [0,0,0,1,0,1|2,0,0]=4 625 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C74663 [0,0,0,1,0,1|2,0,0]=4 626 B11R2.10 ClC1=NC2=C(C=CN=C2)O1 C72870 [0,0,0,1,0,1|1,0,1]=4 627 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [0,0,0,1,0,1|2,0,0]=4 628 B11R2.10 NC1=CC2=CC=CN=C2S1 82785 [0,0,0,1,0,1|1,1,0]=4 629 B11R2.10 NC1=NC2=C(C=CN=C2)N1 AC6593 [0,0,0,1,0,1|2,0,0]=4 630 B11R2.10 NC1=NC2=NC=CC=C2N1 AC8085 [0,0,0,1,0,1|2,0,0]=4 631 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [0,0,0,1,0,1|1,0,0]=3 632 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [0,0,0,1,0,1|0,0,0]=2 633 B11R2.10 O=C1NC2=C(C=CC=N2)S1 C72885 [0,0,0,1,0,1|1,0,0]=3 634 B11R2.10 O=C1NC2=CC=CN=C2S1 F13119 [0,0,0,1,0,1|1,0,0]=3 635 B11R2.10 SC1=NC2=C(C=CN=C2)S1 O12148 [0,0,0,1,0,1|1,1,0]=4 636 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [0,1,0,1,0,0|2,0,0]=4 637 B11R2.1 CC1=C2C=CC=CC2=NO1 AC6101 [0,1,0,1,0,0|1,0,1]=4 638 B11R2.1 CC1=CNC2=NC=NC=C12 P14369 [0,1,0,1,0,0|2,0,0]=4 639 B11R2.1 C[C@@H]1N=NC2=NC=CC=C21 F17908 [0,1,0,1,0,0|1,0,1]=4 640 B11R2.1 ClC1=CNC2=C1C=NC=C2 I11117 [0,1,0,1,0,0|1,0,1]=4 641 B11R2.1 ClC1=NSC2=C1C=CC=N2 F30332 [0,1,0,1,0,0|1,1,0]=4 642 B11R2.1 NC1=CNC2=NC=CC=C12 C15185 [0,1,0,1,0,0|1,0,1]=4 643 B11R2.1 NC1=COC2=NC=CC=C12 N13337 [0,1,0,1,0,0|1,0,1]=4 644 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [0,1,0,1,0,0|1,0,1]=4 645 B11R2.1 O=C1COC2=C1C=CC=N2 O11821 [0,1,0,1,0,0|0,0,0]=2 646 B11R2.1 OC1=C2C=CC=NC2=CN1 F18499 [0,1,0,1,0,0|0,0,2]=4 647 B11R2.1 OC1=NSC2=NC=CC=C12 F30331 [0,1,0,1,0,0|1,0,1]=4 648 B11R2.55 CC1=NC=CC=C1C2CC2 F13571 [0,1,0,1,0,0|1,0,1]=4 649 B11R2.35 NC1=CC(C2CC2)=CN=C1 S11509 [0,1,0,1,0,0|1,0,1]=4 650 B7R1.1 C=CC1=NC=CS1 C72532 [1,0,0,0,1,0|1,0,1]=4 651 B7R1.1 CCC1=CN=CO1 C77473 [1,0,0,0,1,0|1,0,1]=4 652 B7R1.1 CCC1=COC=N1 C77618 [1,0,0,0,1,0|1,0,1]=4 653 B7R1.1 CNC1=CNN=C1 AT23101 [1,0,0,0,1,0|2,0,0]=4 654 B7R1.1 CNC1=NC=CS1 H11141 [1,0,0,0,1,0|2,0,0]=4 655 B7R1.1 COC1=NSC=C1 AT11777 [1,0,0,0,1,0|2,0,0]=4 656 B7R1.1 O=CC1=CSN=C1 83208 [1,0,0,0,1,0|1,0,0]=3 657 B7R1.1 O=CC1=CSN=N1 A51062 [1,0,0,0,1,0|2,0,0]=4 658 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,0,0,0,0,2|2,0,0]=4 659 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,0,0,0,0,2|2,0,0]=4 660 B11R1.91 CC(C)NCC1=CC=CN=C1 AC5151 [0,0,0,0,0,2|1,0,1]=4 661 B11R1.91 O=C(O)CCC1=NC=CN=C1 N12623 [0,0,0,0,0,2|2,0,0]=4