0 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.6 N=C(N)C1=CC=CN=N1 F30256 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 N=C(N)C1=CC=NC=C1 71449 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 N=C(N)C1=NC=NC=C1 F30402 [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|3,0,0]=3 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|3,0,0]=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|1,0,0]=2 20 B8R1.2 C=CC1=NC=CN=C1 T72447 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 CNC1=CC=CN=N1 79165 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 NCC1=CC=CC=C1 T70846 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.2 NNC1=CC=CN=N1 C15759 [1,0,0,0,0,0|2,0,0]=3 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|2,0,0]=3 27 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.13 CC1=CC=C(N(C)N)N=N1 20185 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.13 CC1=CN=C(C(=N)N)C=C1 W19131 [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|1,0,0]=2 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([N+](=O)[O-])C=N1 P10108 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [0,1,0,0,0,0|1,0,1]=3 43 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,1,0,0,0,0|1,0,2]=4 44 B10R1.13 N=C(N)C1=NC=C(Br)C=C1 56664 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 AC8768 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 N13142 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.13 NC(=O)C1=CN=C(N)N=C1 81842 [0,1,0,0,0,0|1,0,0]=2 48 B10R1.13 NC(=O)C1=NN=C(Br)C=C1 D76262 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.13 NC(=O)C1=NNC(=O)C=C1 AC6451 [0,1,0,0,0,0|1,0,1]=3 50 B10R1.13 NC1=NC=C(C(F)F)C=C1 W16938 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.13 O=C(Cl)C1=CN=C(Cl)N=C1 C14171 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.13 O=C(O)C1=CN=C(S)N=C1 AT18396 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.15 C#C[C@@H](O)C1=CN=CC=C1 AC5787 [0,1,0,0,0,0|1,0,2]=4 54 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,1,0,0,0,0|1,0,2]=4 61 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,1,0,0,0,0|0,0,0]=1 68 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,1,0,0,0,0|0,0,0]=1 69 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [0,1,0,0,0,0|0,0,2]=3 70 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [0,1,0,0,0,0|0,0,2]=3 71 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [0,1,0,0,0,0|1,0,1]=3 72 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [0,1,0,0,0,0|1,0,2]=4 75 B10R1.28 ClC(Cl)(Cl)C1=CN=CC=C1 C71811 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 I11569 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [0,1,0,0,0,0|1,0,0]=2 79 B10R1.61 CC(=O)C1=C(C)C=NC=C1 28203 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.61 CC(=O)C1=C(N)C=NC=C1 W18377 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [0,1,0,0,0,0|1,0,1]=3 84 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [0,1,0,0,0,0|1,0,1]=3 87 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [0,1,0,0,0,0|1,0,2]=4 88 B10R1.61 FC(F)C1=CC=CN=C1Br 79327 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.61 N=C(N)C1=C(Br)C=CC=N1 W18185 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.61 N=C(N)C1=C(F)C=CC=N1 F51910 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.61 N=C(N)C1=[N+]([O-])C=CC=C1 O10709 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.61 NC(=O)C1=C(F)C=NC=C1 55531 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [0,1,0,0,0,0|0,0,0]=1 95 B10R1.61 NC(=S)C1=CC=CN=C1Cl 31340 [0,1,0,0,0,0|0,1,0]=2 96 B10R1.61 NC(=S)C1=NC=CC=C1N F13535 [0,1,0,0,0,0|2,1,0]=4 97 B10R1.61 NC1=C(B(O)O)C=NC=C1 AT12798 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.61 O=C(O)C1=CN=CN=C1Cl F10440 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.61 O=C1NC=NC=C1[N+](=O)[O-] O11482 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.61 O=[N+]([O-])C1=CC=CN=C1I AB10380 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.61 O=[N+]([O-])C1=CC=CN=C1S T72399 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.61 OB(O)C1=C(Br)C=CN=C1 FD10196 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 AT14944 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.61 OB(O)C1=C(F)C=CN=C1 FD10200 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.113 CC1=CC=CC(C(=N)N)=N1 74734 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N10343 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 90822 [0,1,0,0,0,0|1,0,1]=3 115 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 90825 [0,1,0,0,0,0|1,0,1]=3 116 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N10537 [0,1,0,0,0,0|1,0,1]=3 117 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N13087 [0,1,0,0,0,0|1,0,1]=3 118 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.113 C[C@H](O)C1=CC(F)=CN=C1 AT10686 [0,1,0,0,0,0|1,0,2]=4 122 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.113 FC(F)C1=CC(Cl)=CN=C1 94167 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.113 N=C(N)C1=CC(Cl)=NC=C1 87823 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.113 N=C(N)C1=CC=CC(Br)=N1 O11565 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.113 N=C(N)C1=NC=CC(Cl)=C1 67989 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.113 NC(=O)C1=CN=CC(Br)=N1 W17936 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.113 NC(=S)C1=CC=CC(I)=C1 A10482 [0,1,0,0,0,0|1,1,0]=3 130 B10R1.113 NC1=CC(B(O)O)=CN=C1 AT14947 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.113 O=[N+]([O-])C1=CC=CC(S)=C1 AT20860 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.113 OB(O)C1=CC(O)=CN=C1 AT14949 [0,1,0,0,0,0|2,0,1]=4 136 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.7 C=C(C)C1=NC=CS1 T71747 [0,0,0,0,1,0|3,0,0]=4 138 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,0,0,0,1,0|2,0,0]=3 139 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,0,0,0,1,0|2,0,0]=3 140 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [0,0,0,0,1,0|2,0,0]=3 141 B8R1.7 CC(=O)C1=NNC=N1 AT12117 [0,0,0,0,1,0|3,0,0]=4 142 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,0,0,0,1,0|2,0,1]=4 143 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,0,0,0,1,0|2,0,1]=4 144 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,0,0,0,1,0|2,0,1]=4 145 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [0,0,0,0,1,0|2,0,1]=4 146 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [0,0,0,0,1,0|2,0,1]=4 147 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [0,0,0,0,1,0|2,0,1]=4 148 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,0,0,0,1,0|2,0,1]=4 149 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,0,0,0,1,0|2,0,1]=4 150 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,0,0,0,1,0|2,0,1]=4 151 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,0,0,0,1,0|2,0,1]=4 152 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,0,0,0,1,0|2,0,1]=4 153 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,0,0,0,1,0|2,0,1]=4 154 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,0,0,0,1,0|2,0,1]=4 155 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,0,0,0,1,0|2,0,1]=4 156 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,0,0,0,1,0|2,0,1]=4 157 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,0,0,0,1,0|2,0,1]=4 158 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,0,0,0,1,0|2,0,1]=4 159 B8R1.7 N=C(N)C1=CC=CN1 F18689 [0,0,0,0,1,0|1,0,1]=3 160 B8R1.7 N=C(N)C1=NC=CN1 38079 [0,0,0,0,1,0|2,0,0]=3 161 B8R1.7 N=C(N)C1=NC=CN1 P15498 [0,0,0,0,1,0|2,0,0]=3 162 B8R1.7 N=C(N)N1C=NC=N1 I11757 [0,0,0,0,1,0|3,0,0]=4 163 B8R1.7 NC(=O)C1=NOC=C1 AT19826 [0,0,0,0,1,0|1,0,0]=2 164 B8R1.7 NC(=S)C1=CC=CO1 F11945 [0,0,0,0,1,0|1,1,0]=3 165 B8R1.7 NC(=S)C1=CC=NN1 D79737 [0,0,0,0,1,0|1,1,0]=3 166 B8R1.7 NC(=S)C1=CN=CS1 AT14770 [0,0,0,0,1,0|1,1,0]=3 167 B8R1.7 NC(=S)C1=CN=NN1 C16602 [0,0,0,0,1,0|2,1,0]=4 168 B8R1.7 NC(=S)C1=COC=C1 AT17536 [0,0,0,0,1,0|1,1,0]=3 169 B8R1.7 NC(=S)C1=NC=CS1 AT14697 [0,0,0,0,1,0|1,1,0]=3 170 B8R1.7 O=C(Cl)C1=COC=N1 D78648 [0,0,0,0,1,0|2,0,0]=3 171 B8R1.7 O=C(Cl)C1=NON=C1 F10297 [0,0,0,0,1,0|3,0,0]=4 172 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [0,0,0,0,1,0|2,0,0]=3 173 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [0,0,0,0,1,0|3,0,0]=4 174 B10R1.18 CC(=O)NC1=CN=CN=C1 F18145 [0,0,0,0,0,1|2,0,0]=3 175 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,0,0,0,0,1|2,0,0]=3 176 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,0,0,0,0,1|2,0,0]=3 177 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,0,0,0,0,1|2,0,0]=3 178 B10R1.18 NC(=O)CC1=CN=CN=C1 FD7229 [0,0,0,0,0,1|1,0,0]=2 179 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [0,0,0,0,0,1|3,0,0]=4 180 B7R1.3 ClC1=CN=NC=C1 F19795 [2,0,0,0,0,0|2,0,0]=4 181 B7R1.3 FC1=CN=CN=C1 F14737 [2,0,0,0,0,0|2,0,0]=4 182 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [2,0,0,0,0,0|2,0,0]=4 183 B7R1.3 O=C1C=NCN=C1 36727 [2,0,0,0,0,0|1,0,1]=4 184 B7R1.3 O=C1C=NN=CN1 F30273 [2,0,0,0,0,0|2,0,0]=4 185 B7R1.3 OC1=CN=NC=C1 O12057 [2,0,0,0,0,0|1,0,1]=4 186 B7R1.3 SC1=NN=CC=C1 AT13031 [2,0,0,0,0,0|1,1,0]=4 187 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [2,0,0,0,0,0|1,0,0]=3 188 B7R1.3 [2H]C1=CC=CC=C1 D98570 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.1 C=CC1=CN=C(C)N=C1 P14948 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [1,1,0,0,0,0|1,0,0]=3 191 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [1,1,0,0,0,0|1,0,1]=4 192 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [1,1,0,0,0,0|1,0,1]=4 193 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [1,1,0,0,0,0|1,0,0]=3 194 B9R1.1 COC1=CN=C(I)C=C1 F17075 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [1,1,0,0,0,0|1,0,1]=4 196 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [1,1,0,0,0,0|1,0,1]=4 197 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [1,1,0,0,0,0|1,0,1]=4 198 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [1,1,0,0,0,0|1,0,1]=4 199 B9R1.1 NCC1=CN=C(Br)C=N1 F30506 [1,1,0,0,0,0|1,0,1]=4 200 B9R1.1 NCC1=NN=C(Cl)C=C1 D84868 [1,1,0,0,0,0|1,0,1]=4 201 B9R1.1 NNC1=CN=C(Br)C=C1 68947 [1,1,0,0,0,0|1,0,0]=3 202 B9R1.1 NNC1=CN=C(Br)C=C1 W15223 [1,1,0,0,0,0|1,0,0]=3 203 B9R1.1 NNC1=CN=C(Br)C=N1 I11308 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.1 NNC1=NN=C(F)C=C1 AT24743 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.1 O=CC1=CN=C(Br)N=C1 55465 [1,1,0,0,0,0|1,0,0]=3 206 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.2 C#CC1=CC(C)=CN=C1 AT12963 [1,1,0,0,0,0|1,0,1]=4 208 B9R1.2 C#CC1=CN=CC(N)=C1 C76102 [1,1,0,0,0,0|1,0,1]=4 209 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [1,1,0,0,0,0|1,0,1]=4 210 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [1,1,0,0,0,0|1,0,1]=4 211 B9R1.2 COC1=CN=CC(N)=C1 P11509 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.2 NC1=NC=CC(C=O)=C1 O10660 [1,1,0,0,0,0|2,0,0]=4 215 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [1,1,0,0,0,0|0,0,1]=3 216 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [1,1,0,0,0,0|1,0,1]=4 217 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [1,1,0,0,0,0|0,0,0]=2 218 B9R1.8 BrC#CC1=CN=CC=C1 50128 [1,1,0,0,0,0|1,0,1]=4 219 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,1,0,0,0,0|1,0,1]=4 220 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,1,0,0,0,0|1,0,1]=4 221 B9R1.8 CNCC1=CN=CN=C1 38577 [1,1,0,0,0,0|1,0,1]=4 222 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,1,0,0,0,0|1,0,1]=4 224 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,1,0,0,0,0|1,0,1]=4 225 B9R1.8 NCCC1=NC=CN=C1 AT22557 [1,1,0,0,0,0|1,0,1]=4 226 B9R1.8 NNCC1=NC=CN=C1 D78817 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.8 NNCC1=NC=CN=C1 P19174 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [1,1,0,0,0,0|0,0,2]=4 229 B9R1.15 C#CC1=C(C)C=CN=C1 AT12962 [1,1,0,0,0,0|1,0,1]=4 230 B9R1.15 C#CC1=CC=CN=C1C AT12964 [1,1,0,0,0,0|1,0,1]=4 231 B9R1.15 C#CC1=CC=CN=C1Cl AT12435 [1,1,0,0,0,0|1,0,1]=4 232 B9R1.15 C#CC1=CC=CN=C1N 72370 [1,1,0,0,0,0|1,0,1]=4 233 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [1,1,0,0,0,0|1,0,0]=3 235 B9R1.15 C=CC1=CC=CN=C1F P13082 [1,1,0,0,0,0|1,0,0]=3 236 B9R1.15 CC1=C(C=O)C=NC=N1 O11269 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [1,1,0,0,0,0|1,0,1]=4 238 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [1,1,0,0,0,0|1,0,1]=4 239 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [1,1,0,0,0,0|1,0,1]=4 240 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [1,1,0,0,0,0|1,0,1]=4 241 B9R1.15 CC1=C(NN)N=NC=C1 O11008 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.15 CC1=NC=CN=C1CN 38702 [1,1,0,0,0,0|1,0,1]=4 243 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [1,1,0,0,0,0|1,0,1]=4 244 B9R1.15 CCC1=CC=CN=C1C 75814 [1,1,0,0,0,0|1,0,1]=4 245 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.15 ClCC1=CC=CN=C1Br 55187 [1,1,0,0,0,0|1,0,1]=4 247 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [1,1,0,0,0,0|1,0,1]=4 248 B9R1.15 N#CC1=C(S)C=CN=C1 C77520 [1,1,0,0,0,0|0,0,2]=4 249 B9R1.15 NC1=C(C=O)C=NC=C1 W12249 [1,1,0,0,0,0|0,0,0]=2 250 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [1,1,0,0,0,0|1,0,1]=4 251 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [1,1,0,0,0,0|0,0,1]=3 252 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [1,1,0,0,0,0|0,0,1]=3 253 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [1,1,0,0,0,0|1,0,1]=4 254 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [1,1,0,0,0,0|0,0,1]=3 255 B9R1.15 NCC1=CC=CN=C1Cl 37571 [1,1,0,0,0,0|0,0,1]=3 256 B9R1.15 NCC1=CC=CN=C1N CL0345 [1,1,0,0,0,0|0,0,1]=3 257 B9R1.15 NNC1=CC=CN=C1Cl D76828 [1,1,0,0,0,0|1,0,0]=3 258 B9R1.15 O=CC1=CNC=CC1=O O11278 [1,1,0,0,0,0|0,0,1]=3 259 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [1,1,0,0,0,0|0,0,2]=4 260 B9R1.11 COC(=O)C1=NOC=C1 AT19828 [0,1,0,0,1,0|2,0,0]=4 261 B9R1.11 COC(=O)C1=NSC=C1 AT21127 [0,1,0,0,1,0|2,0,0]=4 262 B9R1.11 N=C(NO)C1=CN=CN1 AC2516 [0,1,0,0,1,0|2,0,0]=4 263 B9R1.11 NNC(=O)C1=CC=NN1 P10142 [0,1,0,0,1,0|1,0,0]=3 264 B9R1.11 NNC(=O)C1=CNN=N1 C15397 [0,1,0,0,1,0|2,0,0]=4 265 B9R1.11 N\C(=N\O)C1=CC=NO1 F51701 [0,1,0,0,1,0|1,0,1]=4 266 B9R1.11 O=C(CBr)C1=CN=CS1 D74482 [0,1,0,0,1,0|2,0,0]=4 267 B9R1.11 O=C(CBr)C1=CSC=N1 79583 [0,1,0,0,1,0|2,0,0]=4 268 B9R1.11 O=C(CBr)C1=NC=CS1 AC5165 [0,1,0,0,1,0|2,0,0]=4 269 B9R1.11 O=C(CCl)C1=CC=NS1 AT21156 [0,1,0,0,1,0|2,0,0]=4 270 B9R1.11 O=C(CCl)C1=CN=CO1 AT18682 [0,1,0,0,1,0|2,0,0]=4 271 B9R1.11 O=C(CCl)C1=CSN=C1 AT21136 [0,1,0,0,1,0|2,0,0]=4 272 B9R1.11 O=C(CCl)C1=NOC=C1 AT19853 [0,1,0,0,1,0|2,0,0]=4 273 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [0,1,0,0,1,0|2,0,0]=4 274 B9R1.11 O=CC(=O)C1=CSC=C1 AT16766 [0,1,0,0,1,0|2,0,0]=4 275 B9R1.35 CC(=O)C1=CC(Br)=NO1 AT19699 [0,1,0,0,1,0|2,0,0]=4 276 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [0,1,0,0,1,0|1,0,1]=4 277 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [0,1,0,0,1,0|2,0,0]=4 278 B9R1.35 CC(=O)C1=CN(C)C=N1 AT21668 [0,1,0,0,1,0|2,0,0]=4 279 B9R1.35 CC(=O)C1=NC(C)=CN1 I10088 [0,1,0,0,1,0|2,0,0]=4 280 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [0,1,0,0,1,0|2,0,0]=4 281 B9R1.35 CC1=CC(C(=N)N)=NO1 E72487 [0,1,0,0,1,0|2,0,0]=4 282 B9R1.35 CC1=CC(C(N)=O)=NN1 N12273 [0,1,0,0,1,0|1,0,0]=3 283 B9R1.35 CC1=NC(C(N)=O)=NO1 E72463 [0,1,0,0,1,0|2,0,0]=4 284 B9R1.35 CC1=NOC(C(N)=O)=C1 C11163 [0,1,0,0,1,0|1,0,0]=3 285 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [0,1,0,0,1,0|2,0,0]=4 286 B9R1.35 CN1C=C(C(=O)Cl)C=N1 AT16091 [0,1,0,0,1,0|2,0,0]=4 287 B9R1.35 CN1C=CC(C(=O)Cl)=N1 79491 [0,1,0,0,1,0|2,0,0]=4 288 B9R1.35 CN1C=NC(C(N)=O)=C1 24458 [0,1,0,0,1,0|1,0,0]=3 289 B9R1.35 NC(=O)C1=CC(Br)=CS1 C76680 [0,1,0,0,1,0|1,0,0]=3 290 B9R1.35 NC(=O)C1=CC(O)=NO1 C72596 [0,1,0,0,1,0|1,0,0]=3 291 B9R1.35 NC(=O)C1=NN=C(Br)S1 AT19525 [0,1,0,0,1,0|2,0,0]=4 292 B9R1.35 NC(=O)N1C=C(Br)C=N1 W19306 [0,1,0,0,1,0|1,0,0]=3 293 B9R1.35 NC1=CN=C(C(=O)O)S1 38504 [0,1,0,0,1,0|2,0,0]=4 294 B9R1.35 NC1=CN=C(C(=O)O)S1 70896 [0,1,0,0,1,0|2,0,0]=4 295 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [0,1,0,0,1,0|2,0,0]=4 296 B9R1.35 NC1=NOC(C(=O)O)=C1 D78674 [0,1,0,0,1,0|2,0,0]=4 297 B9R1.35 O=C(Cl)C1=CC=C(Cl)O1 AT17320 [0,1,0,0,1,0|2,0,0]=4 298 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [0,1,0,0,1,0|2,0,0]=4 299 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [0,1,0,0,1,0|1,0,1]=4 300 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [0,1,0,0,1,0|1,0,1]=4 301 B9R1.35 O=C(O)C1=CN=C(Cl)N1 AT15386 [0,1,0,0,1,0|2,0,0]=4 302 B9R1.35 O=C(O)C1=CN=C(I)O1 C91097 [0,1,0,0,1,0|2,0,0]=4 303 B9R1.35 O=C(O)C1=CSC(S)=N1 AT14870 [0,1,0,0,1,0|2,0,0]=4 304 B9R1.35 O=C(O)C1=NC(Cl)=CS1 AT14689 [0,1,0,0,1,0|2,0,0]=4 305 B9R1.35 O=C([O-])C1=NC=C(Br)S1 AT14693 [0,1,0,0,1,0|2,0,0]=4 306 B9R1.41 CC(=O)C1=C(Br)C=CO1 AT17466 [0,1,0,0,1,0|2,0,0]=4 307 B9R1.41 CC(=O)C1=C(O)C=CS1 AT16388 [0,1,0,0,1,0|2,0,0]=4 308 B9R1.41 CC1=C(C(=O)Cl)OC=N1 AT23456 [0,1,0,0,1,0|2,0,0]=4 309 B9R1.41 CC1=C(C(=O)O)SN=C1 AT21154 [0,1,0,0,1,0|2,0,0]=4 310 B9R1.41 CC1=C(C(N)=O)N=CO1 58493 [0,1,0,0,1,0|1,0,0]=3 311 B9R1.41 CC1=CNC=C1C(=O)O 71038 [0,1,0,0,1,0|1,0,1]=4 312 B9R1.41 CC1=COC=C1C(=O)O 72440 [0,1,0,0,1,0|2,0,0]=4 313 B9R1.41 CC1=CON=C1C(N)=O 95085 [0,1,0,0,1,0|1,0,0]=3 314 B9R1.41 CC1=CSC=C1C(=O)Cl AT17065 [0,1,0,0,1,0|2,0,0]=4 315 B9R1.41 CN1C=CN=C1C(=O)Cl AT15683 [0,1,0,0,1,0|2,0,0]=4 316 B9R1.41 NC(=O)C1=C(Br)SC=N1 C14022 [0,1,0,0,1,0|1,0,0]=3 317 B9R1.41 NC(=O)C1=C(F)C=CS1 92876 [0,1,0,0,1,0|1,0,0]=3 318 B9R1.41 NC(=O)C1=C(N)C=CO1 AC5297 [0,1,0,0,1,0|1,0,0]=3 319 B9R1.41 NC(=O)C1=C(O)C=CS1 75845 [0,1,0,0,1,0|1,0,0]=3 320 B9R1.41 NC(=O)C1=NSC=C1Br D80071 [0,1,0,0,1,0|1,0,0]=3 321 B9R1.41 NC1=C(C(=O)O)N=CN1 C90485 [0,1,0,0,1,0|2,0,0]=4 322 B9R1.41 NC1=CSN=C1C(=O)O AT21158 [0,1,0,0,1,0|2,0,0]=4 323 B9R1.41 O=C(O)C1=C(Br)OC=C1 AT17113 [0,1,0,0,1,0|2,0,0]=4 324 B9R1.41 O=C(O)C1=C(Cl)N=CS1 AT15210 [0,1,0,0,1,0|2,0,0]=4 325 B9R1.41 O=C(O)C1=C(F)NN=C1 C92334 [0,1,0,0,1,0|2,0,0]=4 326 B9R1.41 O=C(O)C1=CNC=C1Br AT16233 [0,1,0,0,1,0|1,0,1]=4 327 B9R1.41 O=C(O)C1=CNN=C1I E72213 [0,1,0,0,1,0|2,0,0]=4 328 B9R1.41 O=C(O)C1=CSC=C1Cl AT14983 [0,1,0,0,1,0|2,0,0]=4 329 B9R1.41 O=C(O)C1=NSC=C1I AT21161 [0,1,0,0,1,0|2,0,0]=4 330 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C91526 [0,1,0,0,0,1|2,0,0]=4 331 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 28377 [0,1,0,0,0,1|2,0,0]=4 332 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 C16184 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.20 NC(=O)CC1=NN=C(Cl)C=C1 W10904 [0,1,0,0,0,1|1,0,0]=3 334 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [0,1,0,0,0,1|1,0,0]=3 335 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.36 C[C@@H](C(=O)[O-])C1=NC=CN=C1 97744 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AT21867 [0,1,0,0,0,1|1,0,0]=3 339 B11R1.36 N[C@@H](C(=O)O)C1=NC=CN=C1 66504 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [0,1,0,0,0,1|1,1,0]=4 341 B11R1.40 COC(=O)CC1=CN=CN=C1 AT13806 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.40 N#CC(=O)CC1=CC=CC=C1 AC5929 [0,1,0,0,0,1|1,0,1]=4 343 B11R1.40 NNC(=O)CC1=NC=CC=C1 AT10923 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.40 O=C(CCl)NC1=CN=CC=C1 C78463 [0,1,0,0,0,1|1,0,0]=3 345 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [0,1,0,0,0,1|1,0,0]=3 346 B11R1.86 CC(=O)NC1=C(N)C=CN=C1 C16214 [0,1,0,0,0,1|1,0,0]=3 347 B11R1.86 CC(=O)NC1=NN=CC=C1C AC7622 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.86 CC1=NC=CN=C1CC(=O)O A51230 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.86 NC(=O)CC1=NC=CC=C1O D87092 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.157 CC(=O)NC1=NN=CC(C)=C1 AC7585 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.157 N=C(N)NC1=CC=CC(Cl)=C1 C12447 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.157 N=C(N)NC1=CC=CC(F)=C1 C16183 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.157 N=C(N)NC1=CC=CC(O)=C1 S11159 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 F19865 [0,1,0,0,0,1|1,0,0]=3 357 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 AT23257 [0,1,0,0,0,1|1,0,0]=3 358 B11R1.509 O=S(=O)(Cl)CC1=CN=CC=C1 AR1640 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [0,2,0,0,0,0|2,0,0]=4 360 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [0,2,0,0,0,0|1,1,0]=4 361 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [0,2,0,0,0,0|1,0,0]=3 362 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 AC2109 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [0,2,0,0,0,0|2,0,0]=4 364 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90831 [0,2,0,0,0,0|1,0,1]=4 365 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 N11219 [0,2,0,0,0,0|1,0,1]=4 366 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 10001 [0,2,0,0,0,0|1,0,0]=3 368 B11R1.3 O=[N+]([O-])C1=CN=C(CBr)C=C1 D72031 [0,2,0,0,0,0|2,0,0]=4 369 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [0,2,0,0,0,0|2,0,0]=4 370 B11R1.19 CC(C)(N)C1=CN=C(Cl)C=C1 91211 [0,2,0,0,0,0|1,0,1]=4 371 B11R1.19 CC1=NC=C(S(=O)(=O)Cl)C=C1 AT18356 [0,2,0,0,0,0|2,0,0]=4 372 B11R1.19 CP(C)(=O)C1=CN=C(Cl)C=C1 AT13621 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.19 CS(=O)(=O)C1=CN=C(N)C=C1 F10472 [0,2,0,0,0,0|2,0,0]=4 374 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 69909 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.21 CC1=NC(C(N)=O)=CNC1=O F12645 [0,2,0,0,0,0|1,0,1]=4 376 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1O P12272 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.21 NC(=O)C1=CC(F)=C(O)C=C1 D96313 [0,2,0,0,0,0|1,0,0]=3 378 B11R1.21 NC(=O)C1=CC(N)=C(O)C=C1 D87298 [0,2,0,0,0,0|1,0,0]=3 379 B11R1.21 NC(=O)C1=CC(O)=C(I)C=C1 D77904 [0,2,0,0,0,0|1,0,0]=3 380 B11R1.21 NC1=NC=C(C(=O)O)N=C1I P13455 [0,2,0,0,0,0|2,0,0]=4 381 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 76037 [0,2,0,0,0,0|2,0,0]=4 382 B11R1.21 O=C(O)C1=CC(I)=C(O)N=C1 AC6008 [0,2,0,0,0,0|1,0,0]=3 383 B11R1.21 O=C(O)C1=CN=C(Br)C(Cl)=C1 AT10807 [0,2,0,0,0,0|1,0,0]=3 384 B11R1.21 O=C(O)C1=CN=C(Br)C(O)=C1 AT21523 [0,2,0,0,0,0|1,0,0]=3 385 B11R1.21 O=[N+]([O-])C1=CN=C(I)C(Cl)=C1 87836 [0,2,0,0,0,0|2,0,0]=4 386 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [0,2,0,0,0,0|1,0,0]=3 387 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,2,0,0,0,0|2,0,0]=4 388 B11R1.22 CC1=CC=C(C(=S)NN)C=C1 W10974 [0,2,0,0,0,0|1,1,0]=4 389 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11154 [0,2,0,0,0,0|0,0,2]=4 390 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11155 [0,2,0,0,0,0|0,0,2]=4 391 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [0,2,0,0,0,0|1,0,0]=3 392 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [0,2,0,0,0,0|1,0,0]=3 393 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [0,2,0,0,0,0|1,0,0]=3 394 B11R1.22 CNC(=O)C1=CN=C(Cl)N=C1 C72448 [0,2,0,0,0,0|1,0,0]=3 395 B11R1.22 CNC(=O)C1=NC=C(N)C=C1 AT26730 [0,2,0,0,0,0|2,0,0]=4 396 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,2,0,0,0,0|2,0,0]=4 397 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [0,2,0,0,0,0|1,0,0]=3 398 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [0,2,0,0,0,0|1,0,0]=3 399 B11R1.22 NCC(=O)C1=NC=C(Br)C=C1 90935 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.22 NC[C@H](N)C1=CN=C(Br)C=C1 N14910 [0,2,0,0,0,0|1,0,1]=4 401 B11R1.22 N[C@@H](CO)C1=CN=C(Br)C=C1 N11111 [0,2,0,0,0,0|0,0,2]=4 402 B11R1.22 O=C(CF)C1=CC=C(Br)C=C1 W17424 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,2,0,0,0,0|2,0,0]=4 404 B11R1.22 O=C([13CH2]Br)C1=CC=C(Br)C=C1 D97990 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.166 CC(=O)C1=C(Cl)C=C(C)C=C1 AT15339 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.166 CC(=O)C1=C(O)C=C(I)C=C1 62926 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.166 CC(=O)C1=CN=C(Br)C=C1C D80175 [0,2,0,0,0,0|1,0,0]=3 409 B11R1.166 CC(=O)C1=CNC(=O)N=C1C S10254 [0,2,0,0,0,0|2,0,0]=4 410 B11R1.166 CC(=O)C1=NC=C(Cl)N=C1Cl 58574 [0,2,0,0,0,0|2,0,0]=4 411 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 56645 [0,2,0,0,0,0|2,0,0]=4 412 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 F13688 [0,2,0,0,0,0|1,0,0]=3 413 B11R1.166 CC1=CC(Cl)=NC=C1C(N)=O D85781 [0,2,0,0,0,0|0,0,0]=2 414 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 N17088 [0,2,0,0,0,0|1,0,0]=3 415 B11R1.166 CC1=CC(I)=NC=C1[N+](=O)[O-] 80259 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 25712 [0,2,0,0,0,0|1,0,0]=3 417 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=N1 P19552 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 N12689 [0,2,0,0,0,0|1,0,0]=3 419 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 70364 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.166 N=C(N)C1=C(Cl)C=C(Br)C=C1 D86997 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 92721 [0,2,0,0,0,0|2,0,0]=4 422 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 C14169 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.166 N=C(N)C1=C(F)C=C(O)C=C1 D87625 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.166 NC(=O)C1=C(N)N=C(F)C=C1 F20285 [0,2,0,0,0,0|0,0,0]=2 425 B11R1.166 NC(=O)C1=C(O)C=C(O)N=C1 F12454 [0,2,0,0,0,0|0,0,0]=2 426 B11R1.166 NC(=O)C1=CN=C(Cl)C=C1N AT11356 [0,2,0,0,0,0|0,0,0]=2 427 B11R1.166 NC(=O)C1=NC=C(Br)C=C1Cl AC3839 [0,2,0,0,0,0|2,0,0]=4 428 B11R1.166 NC1=C(C(=O)O)C=NC(O)=C1 35476 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.166 NC1=C([N+](=O)[O-])C=CC(I)=N1 H11906 [0,2,0,0,0,0|2,0,0]=4 430 B11R1.166 NC1=CC(I)=C(C(=O)O)C=C1 D87628 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.166 NC1=NC(N)=C(C(=O)O)C=C1 AC4722 [0,2,0,0,0,0|1,0,0]=3 432 B11R1.166 O=C(Cl)C1=C(Br)C=C(F)C=C1 F17471 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.166 O=C(O)C1=C(S)C=C(Br)C=C1 AT20781 [0,2,0,0,0,0|2,0,0]=4 434 B11R1.166 O=C(O)C1=C(S)C=C(F)C=C1 AT20779 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.166 O=C(O)C1=NN=C(O)C=C1O W15300 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.166 O=[N+]([O-])C1=CC=C(F)N=C1Br 90684 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.16 N#CNC(=N)C1=CC=CC=C1 W12215 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.16 [N-]=[N+]=CC(=O)C1=CC=CC=C1 AT25592 [0,2,0,0,0,0|1,0,1]=4 439 B11R1.23 CC1=CC=CC(C(=O)CO)=C1 AC3231 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.23 CCC(=O)C1=CC(Br)=CN=C1 N14270 [0,2,0,0,0,0|1,0,0]=3 441 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 34175 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 N13116 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.23 COC(=O)C1=CC(I)=NN=C1 C92378 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.23 COC(=O)C1=CN=CC(=O)N1 72441 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 C77908 [0,2,0,0,0,0|1,0,0]=3 446 B11R1.23 NNC(=O)C1=CC=CC(I)=N1 D74463 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.23 N[C@@H](CO)C1=CC(F)=CN=C1 N14406 [0,2,0,0,0,0|0,0,2]=4 448 B11R1.23 N[C@@H](CO)C1=CC(F)=CN=C1 N14407 [0,2,0,0,0,0|0,0,2]=4 449 B11R1.23 O=C(CO)C1=CC=CC(Br)=C1 AC6088 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 AC5675 [0,2,0,0,0,0|2,0,0]=4 451 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 AB10250 [0,2,0,0,0,0|2,0,0]=4 452 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.222 CCC(=O)C1=C(Cl)C=CN=C1 N14267 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.222 CCC(=O)C1=CC=CN=C1Br N14264 [0,2,0,0,0,0|1,0,0]=3 456 B11R1.222 CCC(=O)C1=CC=CN=C1Cl N14262 [0,2,0,0,0,0|1,0,0]=3 457 B11R1.222 CCC(=O)C1=CC=CN=C1F N14261 [0,2,0,0,0,0|1,0,0]=3 458 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 E72599 [0,2,0,0,0,0|1,0,0]=3 459 B11R1.222 CNC(=O)C1=NC=CC=C1O C71661 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.222 COC(=O)C1=CN=CN=C1Cl 31492 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.222 NC1=C(C(=O)CCl)C=CC=C1 72272 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [0,2,0,0,0,0|1,0,0]=3 463 B11R1.222 O=C(CCl)C1=C(Cl)C=CC=C1 D71120 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.222 O=C(CF)C1=CC=CN=C1F AT10155 [0,2,0,0,0,0|1,0,0]=3 465 B11R1.222 O=C(CO)C1=C(Br)C=CC=C1 AC7495 [0,2,0,0,0,0|2,0,0]=4 466 B11R1.222 O=C(CO)C1=C(F)C=CC=C1 AC5617 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.222 O=C(CO)C1=C(I)C=CC=C1 AC7053 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.87 O=S(=O)(Cl)C1=C(F)N=CC=C1 AT11611 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1Br CK2609 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 P12300 [0,2,0,0,0,0|1,0,1]=4 471 B11R1.155 CS(=O)(=O)C1=CN=CC(O)=C1 C90672 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.155 O=S(=O)(Cl)C1=CN=CC(Cl)=C1 P18253 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 O10854 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.53 CCC1=C(C(N)=S)C=CC=C1 F13433 [0,2,0,0,0,0|1,1,0]=4 475 B11R1.53 CCC1=C([N+](=O)[O-])C=CC=N1 P12962 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.53 COC1=C(C(N)=O)C=CC=N1 D87306 [0,2,0,0,0,0|0,0,0]=2 477 B11R1.53 COC1=C([C@H](C)N)C=NC=C1 Y12493 [0,2,0,0,0,0|1,0,1]=4 478 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 AC5882 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.53 COC1=CC=CN=C1C(N)=O D87880 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.53 N#CC1=C(C(=N)N)C=CC=C1 AC1590 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.53 N#CC1=C(C(=O)Cl)C=CC=C1 D87858 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.53 N#CC1=C(C(N)=O)C=CC=C1 T70416 [0,2,0,0,0,0|1,0,0]=3 483 B11R1.53 NCC1=C([N+](=O)[O-])C=CC=N1 W13447 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.53 O=CC1=C(C(=O)O)C=CC=N1 O10788 [0,2,0,0,0,0|1,0,0]=3 485 B11R1.53 O=CC1=C([N+](=O)[O-])C=NC=C1 36626 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.156 CC(=O)C1=C(Br)C=CC=C1N C75622 [0,2,0,0,0,0|2,0,0]=4 487 B11R1.156 CC(=O)C1=C(Br)C=CN=C1Cl 55294 [0,2,0,0,0,0|1,0,0]=3 488 B11R1.156 CC1=CC=CC(Br)=C1C(N)=O F13400 [0,2,0,0,0,0|1,0,0]=3 489 B11R1.156 CC1=CC=CC(Cl)=C1C(=N)N F13421 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.156 CC1=CC=CC(I)=C1C(=O)O 81915 [0,2,0,0,0,0|2,0,0]=4 491 B11R1.156 CC1=NC=CC(Cl)=C1C(=O)O C16695 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.156 CC1=NC=CC(O)=C1[N+](=O)[O-] W15244 [0,2,0,0,0,0|2,0,0]=4 493 B11R1.156 N=C(N)C1=C(Cl)C=CC=C1Cl F12419 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.156 NC(=O)C1=C(Br)C=CC=C1N AC2939 [0,2,0,0,0,0|1,0,0]=3 495 B11R1.156 NC(=O)C1=C(F)C=CC=C1O C13392 [0,2,0,0,0,0|1,0,0]=3 496 B11R1.156 NC1=CC=CC(O)=C1C(=O)O 26442 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.156 NC1=CC=NC(O)=C1[N+](=O)[O-] F17483 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.156 O=C(Cl)C1=C(I)C=CC=C1Cl F20996 [0,2,0,0,0,0|2,0,0]=4 499 B11R1.159 CC(=O)C1=C(C)C(N)=CC=C1 O10268 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.159 CC(=O)C1=C(C)C(O)=CC=C1 C76227 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1I 94553 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.159 CC(=O)C1=CC=CC(O)=C1F AT11003 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.159 CC1=C(C(N)=O)C=CC=C1N 93043 [0,2,0,0,0,0|1,0,0]=3 504 B11R1.159 CC1=CC=CC(C(N)=O)=C1Cl D87582 [0,2,0,0,0,0|1,0,0]=3 505 B11R1.159 CC1=CC=CC(C(N)=O)=C1O AC4144 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.159 CC1=CN=CC(C(=O)O)=C1O AT13143 [0,2,0,0,0,0|1,0,0]=3 507 B11R1.159 CN1C=NC=C(C(=O)O)C1=O AT13877 [0,2,0,0,0,0|2,0,0]=4 508 B11R1.159 NC(=O)C1=C(N)C(N)=CC=C1 F12396 [0,2,0,0,0,0|1,0,0]=3 509 B11R1.159 NC(=O)C1=CC=CC(S)=C1Cl 92372 [0,2,0,0,0,0|1,0,0]=3 510 B11R1.159 NC1=C(C(=O)O)C=CC=C1O T72518 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.159 O=C(O)C1=CC=CC(I)=C1O AT10718 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.159 O=[N+]([O-])C1=CN=CC(I)=C1O D74465 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.167 CC(=O)C1=C(C)C=CC(Cl)=C1 F52542 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.167 CC(=O)C1=C(N)C=CC(O)=C1 32344 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.167 CC(=O)C1=CC(Br)=NN=C1Br 81572 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.167 CC(=O)C1=CC(C)=CN=C1F N13305 [0,2,0,0,0,0|1,0,0]=3 517 B11R1.167 CC1=C(C(=N)N)C=C(F)C=C1 S11570 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.167 CC1=C(C(=O)Cl)C=C(Br)C=C1 C15328 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.167 CC1=C(C(=O)Cl)C=C(Cl)C=C1 F52326 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.167 CC1=C(C(N)=O)C=C(Cl)C=C1 F52323 [0,2,0,0,0,0|1,0,0]=3 521 B11R1.167 CC1=CC([N+](=O)[O-])=C(C)N=C1 D80170 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.167 CC1=CN=C(Br)C(C(=O)O)=C1 C16185 [0,2,0,0,0,0|1,0,0]=3 523 B11R1.167 NC(=O)C1=C(Br)C=CC(Cl)=N1 80076 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.167 NC(=O)C1=C(Br)C=NC(Cl)=C1 AT22391 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.167 NC(=O)C1=C(Cl)C=CC(Cl)=N1 I10219 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.167 NC(=O)C1=CC(Cl)=NC=C1Cl F12412 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.167 NC(=O)C1=CC(F)=CN=C1Cl 81871 [0,2,0,0,0,0|0,0,0]=2 528 B11R1.167 O=C(Cl)C1=C(F)C=CC(Br)=C1 F17494 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.167 O=C(Cl)C1=C(I)C=CC(Br)=C1 AC5820 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.167 O=C(O)C1=C(S)C=CC(Br)=C1 S10260 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.167 O=C(O)C1=C(S)C=CC(Cl)=C1 AT20778 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.167 O=C(O)C1=CC(I)=CN=C1F 98093 [0,2,0,0,0,0|1,0,0]=3 533 B11R1.74 CC(=O)C1=CC(F)=CC(O)=C1 C90880 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.74 CC1=CC(C(N)=O)=CC(C)=N1 F12421 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.74 N=C(N)C1=CC(F)=CC(F)=C1 S11014 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.74 NC(=O)C1=CC(Br)=CC(Cl)=C1 C13391 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.74 NC(=O)C1=CC(O)=NC(O)=C1 AC7631 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Cl)=C1 75770 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.266 C#CC1=CC=CC(C(C)=O)=C1 C77890 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.266 C=CC1=CC=CC(C(C)=O)=C1 75088 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 CL9709 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.266 CC(=O)C1=CC=CC(CBr)=C1 72814 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.266 COC1=CN=CC(C(N)=O)=N1 D75899 [0,2,0,0,0,0|1,0,0]=3 544 B11R1.266 N#CC1=CC(C(=N)N)=CC=C1 AC5671 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 S11363 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.266 O=CC1=CC(C(=O)O)=CN=C1 AT13148 [0,2,0,0,0,0|1,0,0]=3 547 B9R1.13 NC(=O)CC1=CC=CN1 72456 [0,0,1,1,0,0|0,0,2]=4 548 B9R1.13 NC(=O)NC1=NC=CS1 W15996 [0,0,1,1,0,0|2,0,0]=4 549 B9R1.69 CC1=CC=C(I)C(=O)N1 93733 [0,0,1,1,0,0|2,0,0]=4 550 B9R1.69 NC1=CC=C(Br)C(=O)N1 AT18218 [0,0,1,1,0,0|1,0,1]=4 551 B11R2.10 CC1=NC2=C(C=NC=C2)O1 A11329 [0,0,0,1,0,1|1,0,1]=4 552 B11R2.10 CC1=NC2=CC=CN=C2N1 F19908 [0,0,0,1,0,1|1,0,0]=3 553 B11R2.10 CC1=NC2=CC=CN=C2S1 75584 [0,0,0,1,0,1|1,1,0]=4 554 B11R2.10 CC1=NC2=NC=CN=C2N1 70074 [0,0,0,1,0,1|2,0,0]=4 555 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C74663 [0,0,0,1,0,1|1,0,1]=4 556 B11R2.10 ClC1=NC2=C(C=CN=C2)O1 C72870 [0,0,0,1,0,1|1,0,1]=4 557 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [0,0,0,1,0,1|2,0,0]=4 558 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [0,0,0,1,0,1|2,0,0]=4 559 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [0,0,0,1,0,1|2,0,0]=4 560 B11R2.10 NC1=CC2=CC=CN=C2S1 82785 [0,0,0,1,0,1|0,1,0]=3 561 B11R2.10 NC1=NC2=C(C=CN=C2)N1 AC6593 [0,0,0,1,0,1|1,0,0]=3 562 B11R2.10 NC1=NC2=NC=CC=C2N1 AC8085 [0,0,0,1,0,1|1,0,0]=3 563 B11R2.10 NC1=NC2=NC=CN=C2S1 O12147 [0,0,0,1,0,1|1,1,0]=4 564 B11R2.10 O=C1C=C2C=CC=CN2N1 W16687 [0,0,0,1,0,1|2,0,0]=4 565 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [0,0,0,1,0,1|2,0,0]=4 566 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [0,0,0,1,0,1|1,0,0]=3 567 B11R2.10 O=C1NC2=C(C=CC=N2)S1 C72885 [0,0,0,1,0,1|0,0,0]=2 568 B11R2.10 O=C1NC2=CC=CN=C2S1 F13119 [0,0,0,1,0,1|1,0,0]=3 569 B11R2.10 SC1=NC2=C(C=CN=C2)S1 O12148 [0,0,0,1,0,1|1,1,0]=4 570 B11R2.1 CC1=CNC2=NC=NC=C12 P14369 [0,1,0,1,0,0|2,0,0]=4 571 B11R2.1 ClC1=CNC2=C1C=NC=C2 I11117 [0,1,0,1,0,0|1,0,0]=3 572 B11R2.1 ClC1=NSC2=C1C=CC=N2 F30332 [0,1,0,1,0,0|1,0,1]=4 573 B11R2.1 NC1=CNC2=NC=CC=C12 C15185 [0,1,0,1,0,0|1,0,0]=3 574 B11R2.1 NC1=COC2=NC=CC=C12 N13337 [0,1,0,1,0,0|0,0,1]=3 575 B11R2.1 NC1=NOC2=NC=CN=C12 26997 [0,1,0,1,0,0|1,0,1]=4 576 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [0,1,0,1,0,0|1,0,1]=4 577 B11R2.1 O=C1COC2=C1C=CC=N2 O11821 [0,1,0,1,0,0|1,0,0]=3 578 B11R2.1 OC1=C2C=CC=NC2=CN1 F18499 [0,1,0,1,0,0|0,0,1]=3 579 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [0,1,0,1,0,0|1,0,1]=4 580 B11R2.1 OC1=NSC2=NC=CC=C12 F30331 [0,1,0,1,0,0|0,0,2]=4 581 B7R1.1 C=CC1=NC=CS1 C72532 [1,0,0,0,1,0|2,0,0]=4 582 B7R1.1 NCC1=CC=NN1 P10323 [1,0,0,0,1,0|1,0,1]=4 583 B7R1.1 NCC1=CC=NS1 AT13366 [1,0,0,0,1,0|1,0,1]=4 584 B7R1.1 NCC1=CNC=N1 C90275 [1,0,0,0,1,0|1,0,1]=4 585 B7R1.1 NCC1=CNN=C1 83328 [1,0,0,0,1,0|1,0,1]=4 586 B7R1.1 NCC1=COC=C1 61502 [1,0,0,0,1,0|1,0,1]=4 587 B7R1.1 NCC1=COC=N1 73632 [1,0,0,0,1,0|1,0,1]=4 588 B7R1.1 NCC1=CSN=C1 AT21214 [1,0,0,0,1,0|1,0,1]=4 589 B7R1.1 NCC1=NSC=C1 P10783 [1,0,0,0,1,0|1,0,1]=4 590 B7R1.1 NNC1=CC=CS1 W17128 [1,0,0,0,1,0|2,0,0]=4 591 B7R1.1 NNC1=NC=CN1 25904 [1,0,0,0,1,0|2,0,0]=4 592 B7R1.1 NNC1=NC=CS1 D87841 [1,0,0,0,1,0|2,0,0]=4 593 B7R1.1 O=CC1=CSN=C1 83208 [1,0,0,0,1,0|1,0,0]=3 594 B7R1.1 O=CC1=CSN=N1 A51062 [1,0,0,0,1,0|2,0,0]=4 595 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [0,0,0,0,0,2|2,0,0]=4 596 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,0,0,0,0,2|2,0,0]=4 597 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [0,0,0,0,0,2|2,0,0]=4 598 B11R1.91 O=C(O)CCC1=NC=CN=C1 N12623 [0,0,0,0,0,2|2,0,0]=4