0 B10R1.13 C=C(C)C1=NC=C(Br)C=N1 AT18379 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CC(C)C1=NN=C(Br)C=C1 C14147 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.13 CC1=CC=C(N(C)N)N=N1 20185 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.13 CC1=CN=C(C(=N)N)C=C1 W19131 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56573 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 CC1=NC=C(C(N)=O)C=N1 81927 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [0,0,0,0,0,0|1,0,1]=2 13 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10886 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10887 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 C90363 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.13 CC1=NC=C([C@H](C)O)C=N1 AT10878 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.13 CC1=NC=C([N+](=O)[O-])C=N1 P10108 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.13 CN(C)C1=CN=C(I)C=N1 O11454 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 N13142 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.13 NC(=O)C1=CN=C(N)N=C1 81842 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.13 NC(=O)C1=NN=C(Br)C=C1 D76262 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.13 NC1=NC=C(C(F)F)C=C1 W16938 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.13 O=C(Cl)C1=CN=C(Cl)N=C1 C14171 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.13 O=C(O)C1=CN=C(S)N=C1 AT18396 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.1 C=CC1=CN=C(C)N=C1 P14948 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.1 COC1=CN=C(I)C=C1 F17075 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.1 COC1=CN=C(I)C=N1 D75305 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.1 CSC1=CN=C(N)N=C1 C16305 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.1 CSC1=NC=C(N)N=C1 92096 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.1 CSC1=NN=C(Br)C=C1 AT17781 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.1 NNC1=CN=C(Br)C=C1 68947 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 NNC1=CN=C(Br)C=C1 W15223 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.1 O=CC1=CN=C(Br)N=C1 55465 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 N=C(N)C1=CC=CN=N1 F30256 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.3 CC(C)C1=CC=C(CS)C=C1 AT13687 [0,1,0,0,0,0|1,0,2]=4 59 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.3 CN(C)C1=CN=C(CN)N=C1 72103 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 AC2109 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90831 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 N11219 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D76956 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 N10959 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.3 O=[N+]([O-])C1=CN=C(CBr)C=C1 D72031 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.19 CC(C)(C)C1=CN=C(O)C=C1 F13765 [0,1,0,0,0,0|1,0,2]=4 75 B11R1.19 CC(C)(N)C1=CN=C(Cl)C=C1 91211 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.19 CC(C)(O)C1=CN=C(Br)C=C1 AB10226 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.19 CC(C)(O)C1=CN=C(Cl)C=C1 AT10277 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.19 CC(C)(O)C1=CN=C(F)C=C1 88188 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 F13271 [0,1,0,0,0,0|1,0,2]=4 80 B11R1.19 CC1=NC=C(S(=O)(=O)Cl)C=C1 AT18356 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.19 CP(C)(=O)C1=CN=C(Cl)C=C1 AT13621 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.19 CS(=O)(=O)C1=CN=C(N)C=C1 F10472 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 69909 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.21 CC1=C(C)C=C([C@H](C)O)C=C1 44393 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.21 CC1=C(Cl)C=C(B(O)O)C=N1 94608 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11249 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.21 CC1=C(O)C=C([C@H](C)N)C=C1 N14772 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1O P12272 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.21 O=C(O)C1=CC(I)=C(O)N=C1 AC6008 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.21 O=C(O)C1=CN=C(Br)C(Cl)=C1 AT10807 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.21 O=C(O)C1=CN=C(Br)C(O)=C1 AT21523 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15265 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15266 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15267 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.22 CC1=CC=C(C(=S)NN)C=C1 W10974 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13432 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13433 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13434 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13455 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13456 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13457 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.22 CC1=CC=C(\C(Cl)=N\O)C=C1 65912 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.22 CC1=CN=C(\C(C)=N\O)C=C1 AB10298 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11154 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11155 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.22 CNC(=O)C1=CN=C(Cl)N=C1 C72448 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 AC7283 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.22 NC[C@H](N)C1=CN=C(Br)C=C1 N14910 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.22 N[C@@H](CO)C1=CN=C(Br)C=C1 N11111 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.22 O=C(CF)C1=CC=C(Br)C=C1 W17424 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.22 O=C([13CH2]Br)C1=CC=C(Br)C=C1 D97990 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.166 CC(=O)C1=C(Cl)C=C(C)C=C1 AT15339 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.166 CC(=O)C1=C(O)C=C(I)C=C1 62926 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.166 CC(=O)C1=CN=C(Br)C=C1C D80175 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.166 CC(=O)C1=CNC(=O)N=C1C S10254 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.166 CC(=O)C1=NC=C(Cl)N=C1Cl 58574 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.166 CC1=CC(Br)=C(C(C)C)C=C1 AT26576 [0,1,0,0,0,0|1,0,2]=4 131 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 N12239 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81539 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81617 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.166 CC1=CC(Cl)=NC=C1C(N)=O D85781 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 N17088 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.166 CC1=CC(F)=C([C@H](C)O)C=C1 AT15336 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 25712 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=N1 P19552 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 N12689 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.166 CC1=CC=C(C(C)C)C(N)=N1 AT11138 [0,1,0,0,0,0|0,0,2]=3 141 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 70364 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.166 C[C@H](O)C1=CC=C(Cl)N=C1Cl D75887 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.166 NC(=O)C1=C(N)N=C(F)C=C1 F20285 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.166 NC(=O)C1=C(O)C=C(O)N=C1 F12454 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.166 NC(=O)C1=CN=C(Cl)C=C1N AT11356 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.166 NC1=C(C(=O)O)C=NC(O)=C1 35476 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.166 NC1=NC(N)=C(C(=O)O)C=C1 AC4722 [0,1,0,0,0,0|3,0,0]=4 148 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [0,0,0,1,0,0|1,0,2]=4 149 B9R1.35 CC(=O)C1=CC(Br)=NO1 AT19699 [0,0,0,0,1,0|3,0,0]=4 150 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [0,0,0,0,1,0|2,0,1]=4 151 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [0,0,0,0,1,0|3,0,0]=4 152 B9R1.35 CC(=O)C1=CN(C)C=N1 AT21668 [0,0,0,0,1,0|3,0,0]=4 153 B9R1.35 CC(=O)C1=NC(C)=CN1 I10088 [0,0,0,0,1,0|2,0,0]=3 154 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [0,0,0,0,1,0|3,0,0]=4 155 B9R1.35 CC1=CC=C([C@H](C)N)O1 N12562 [0,0,0,0,1,0|2,0,1]=4 156 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12182 [0,0,0,0,1,0|2,0,1]=4 157 B9R1.35 CC1=NC([C@H](C)N)=CS1 N14678 [0,0,0,0,1,0|2,0,1]=4 158 B9R1.35 CC1=NOC(C(N)=O)=C1 C11163 [0,0,0,0,1,0|3,0,0]=4 159 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [0,0,0,0,1,0|3,0,0]=4 160 B9R1.35 CN1C=C(C(=O)Cl)C=N1 AT16091 [0,0,0,0,1,0|3,0,0]=4 161 B9R1.35 CN1C=CC(C(=O)Cl)=N1 79491 [0,0,0,0,1,0|3,0,0]=4 162 B9R1.35 C[C@H](N)C1=NN(C)C=C1 AT14351 [0,0,0,0,1,0|2,0,1]=4 163 B9R1.35 C[C@H](N)C1=NN(C)C=C1 D96322 [0,0,0,0,1,0|2,0,1]=4 164 B9R1.35 C[C@H](O)C1=CN(C)N=C1 AT14442 [0,0,0,0,1,0|2,0,1]=4 165 B9R1.35 C[C@H](O)C1=CN(C)N=C1 AT14448 [0,0,0,0,1,0|2,0,1]=4 166 B9R1.35 C[C@H](O)C1=CN(C)N=C1 P10637 [0,0,0,0,1,0|2,0,1]=4 167 B9R1.35 C[C@H](O)C1=NN(C)C=C1 AT14463 [0,0,0,0,1,0|2,0,1]=4 168 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,0,0,0,0,1|2,0,1]=4 169 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C91526 [0,0,0,0,0,1|3,0,0]=4 170 B11R1.20 CN(C)CC1=CN=C(Cl)C=C1 D76265 [0,0,0,0,0,1|2,0,1]=4 171 B11R1.20 CN(C)CC1=CN=C(N)C=C1 N12638 [0,0,0,0,0,1|2,0,1]=4 172 B8R1.2 C=CC1=CC=CN=C1 71366 [2,0,0,0,0,0|0,0,0]=2 173 B8R1.2 C=CC1=NC=CN=C1 T72447 [2,0,0,0,0,0|1,0,0]=3 174 B8R1.2 CNC1=CC=CN=N1 79165 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.3 CC1=CN=C(C)N=C1 C15366 [2,0,0,0,0,0|1,0,0]=3 176 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.3 CC1=CN=C(I)N=C1 90174 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.3 CC1=CN=C(O)N=C1 W10551 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.3 CC1=NC=C(I)C=N1 82252 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.1 CC1=NC=C(CC#N)C=C1 54748 [1,1,0,0,0,0|0,0,2]=4 183 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.1 CC1=NC=C(\C=C\Br)C=C1 F50214 [1,1,0,0,0,0|0,0,0]=2 185 B10R1.1 CCNC1=CC=C(C)N=N1 AT18438 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.3 C=CC1=CC=C(C#N)C=C1 D76989 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [1,1,0,0,0,0|0,0,0]=2 190 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [1,1,0,0,0,0|0,0,2]=4 191 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [1,1,0,0,0,0|0,0,1]=3 192 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [1,1,0,0,0,0|0,0,1]=3 193 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.3 CNC1=CN=C(OC)N=C1 AT18224 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.3 CNC1=NC=C(C=O)C=N1 I11675 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.3 CNC1=NC=C(OC)C=N1 AT18373 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.3 COC1=CN=C(CCl)N=C1 F30448 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.3 COC1=CN=C(CCl)N=C1 P16747 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.3 COC1=CN=C(CN)N=C1 F30456 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.3 COC1=CN=C(NN)C=C1 W15208 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.3 COC1=NC=C(SC)C=C1 F50803 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.3 COC1=NN=C(CBr)C=C1 94344 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.3 COC1=NN=C(CCl)C=C1 94346 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.3 OCC1=CN=C(CO)C=C1 AC5585 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.25 C=CC1=C(F)C=C(Cl)C=C1 AC6667 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.25 CC1=CC(Br)=C(C=O)C=N1 C14106 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.25 CC1=CC(C)=NC=C1CN W16199 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.25 CC1=CC(N)=C(C#N)C=N1 P18774 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.25 CC1=CC(N)=C(C=O)C=C1 F15845 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.25 CC1=CC=C(C#N)C(S)=N1 94430 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.25 CC1=NC(C)=C(C=O)C=N1 D97637 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.25 CC1=NC(N)=C(C#N)C=C1 P17376 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.25 CNC1=CN=C(Br)C=C1C 96211 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.25 CNC1=CN=C(Br)C=C1N 53659 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.25 CNC1=CN=C(Cl)C=C1C 96215 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.25 COC1=C(I)C=C(C)N=C1 96426 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.25 COC1=C(O)N=C(C)N=C1 F30536 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.25 COC1=NC=C(C)N=C1Br 93937 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.25 NC1=C(C=O)C=CC(Br)=N1 97231 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.25 NC1=C(C=O)C=CC(Cl)=N1 66186 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.25 O=CC1=CC=C(F)N=C1Br AT22753 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 C14264 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.176 CC1=C(F)C=C(CO)C=N1 C77142 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.176 CC1=CC(CO)=CN=C1C F53420 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.176 CNC1=CC(Cl)=C(C)C=C1 C77674 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.176 CSC1=CC(N)=C(C)C=C1 AT20856 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.61 NC(=S)C1=CC=CN=C1Cl 31340 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N10343 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 90822 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 90825 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N10537 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N13087 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.113 C[C@H](O)C1=CC(F)=CN=C1 AT10686 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.14 CC1=CC=C(C(=O)CO)O1 AC5801 [0,1,0,0,1,0|2,0,0]=4 265 B10R1.14 CC1=CC=C(C(=O)CO)S1 AC3828 [0,1,0,0,1,0|2,0,0]=4 266 B10R1.14 COC(=O)C1=CNC(C)=C1 AT21660 [0,1,0,0,1,0|1,0,1]=4 267 B10R1.59 CC(=O)C1=NN(C)C=C1C AT13574 [0,1,0,0,1,0|2,0,0]=4 268 B10R1.59 CC(=O)C1=NN(C)C=C1N W12223 [0,1,0,0,1,0|2,0,0]=4 269 B10R1.194 CC(=O)C1=C(C)N(C)N=C1 71437 [0,1,0,0,1,0|2,0,0]=4 270 B12R1.19 CC(=O)NC1=CC(F)=C(C)C=C1 E72199 [0,1,0,0,0,1|2,0,0]=4 271 B12R1.19 CC(=O)NC1=CC(I)=C(C)C=C1 AC7468 [0,1,0,0,0,1|2,0,0]=4 272 B12R1.20 CC(=O)C(=O)C1=CC=C(C)C=C1 H11218 [0,1,0,0,0,1|2,0,0]=4 273 B12R1.20 CC(=O)[C@H](N)C1=CC=C(C)C=C1 N15700 [0,1,0,0,0,1|2,0,0]=4 274 B12R1.49 C=CC(=O)NC1=CC=C(C)C=C1 N11698 [0,1,0,0,0,1|2,0,0]=4 275 B12R1.49 COC(=O)CC1=CN=C(N)C=C1 D71900 [0,1,0,0,0,1|2,0,0]=4 276 B12R1.49 COC(=O)CC1=NC=C(C)N=C1 C91525 [0,1,0,0,0,1|2,0,0]=4 277 B12R1.233 C=C(C)OC1=C(C)C=C(Cl)C=C1 H11070 [0,1,0,0,0,1|2,0,0]=4 278 B12R1.233 CC(=O)NC1=C(C)C=C(C)N=C1 F17997 [0,1,0,0,0,1|1,0,0]=3 279 B12R1.233 CC(=O)NC1=CC=C(Cl)N=C1I F51674 [0,1,0,0,0,1|2,0,0]=4 280 B12R1.233 CC(=O)NC1=CN=C(Br)C=C1C F18384 [0,1,0,0,0,1|2,0,0]=4 281 B12R1.233 CC(=O)NC1=CN=C(Cl)C=C1C D87663 [0,1,0,0,0,1|2,0,0]=4 282 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 23929 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.5 CCC1=CC=C(C(=O)CO)C=C1 AC2757 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.5 CCC1=NC=C(C(=O)OC)C=C1 92554 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.5 CC[C@H](Cl)C1=CN=C(OC)C=C1 91403 [0,2,0,0,0,0|1,0,1]=4 286 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 N11202 [0,2,0,0,0,0|1,0,1]=4 287 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 N11365 [0,2,0,0,0,0|1,0,1]=4 288 B12R1.5 CNC(=O)C1=CC=C(CBr)C=C1 D97640 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 97528 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 57141 [0,2,0,0,0,0|1,0,0]=3 291 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 P16732 [0,2,0,0,0,0|1,0,0]=3 292 B12R1.5 COC(=O)C1=NC=C(CO)N=C1 89312 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.5 COC(=O)C1=NN=C(CN)C=C1 57149 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.5 COC(=O)C1=NN=C(OC)C=C1 94343 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 76157 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 AC6103 [0,2,0,0,0,0|2,0,0]=4 297 B12R1.5 COC1=NC=C(C(=O)CCl)C=C1 D77905 [0,2,0,0,0,0|1,0,0]=3 298 B12R1.5 COC1=NC=C(C(=O)NN)C=C1 W19083 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 F16997 [0,2,0,0,0,0|1,0,1]=4 300 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 Y11425 [0,2,0,0,0,0|1,0,1]=4 301 B12R1.5 CSC1=CC=C(C(=O)CBr)C=C1 H10559 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.6 COC1=NC=C(S(C)(=O)=O)C=C1 F50802 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.6 CS(=O)(=O)C1=CN=C(CN)C=C1 C16467 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.48 CC(=O)C1=CC(Br)=C(CBr)C=C1 W17125 [0,2,0,0,0,0|2,0,0]=4 305 B12R1.48 CCC1=C(Br)C=C(C(C)=O)C=C1 F17056 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 O10282 [0,2,0,0,0,0|2,0,0]=4 307 B12R1.256 CC(=O)C1=CN=C(C(F)F)N=C1 56591 [0,2,0,0,0,0|2,0,0]=4 308 B12R1.452 COC1=CC(F)=C(C(=O)O)C=N1 N17087 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 Y10543 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.232 CC1=C(F)C=C(C(=O)O)C(Cl)=N1 92225 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.367 CCC(=O)C1=CC(Cl)=C(C)C=C1 N14084 [0,2,0,0,0,0|2,0,0]=4 312 B12R1.367 COC(=O)C1=CC(Cl)=C(O)N=C1 AT11135 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.367 COC(=O)C1=CN=C(I)C(Br)=C1 89892 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.367 COC(=O)C1=CN=C(O)C(N)=C1 F30140 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.367 COC(=O)C1=NC(C)=C(C)N=C1 O11945 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.893 CC1=C(Br)C(C)=C(C(=O)O)C=N1 AC9442 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.893 CC1=C(C)C(C)=C(C(=O)O)C=N1 F53832 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.893 CC1=NC=C(C(=O)O)C(I)=C1Br F18390 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.12 CCC(=C=O)C1=CC=C(C)C=C1 F50686 [0,2,0,0,0,0|1,0,1]=4 320 B12R1.16 CCCC(=O)C1=CN=C(Br)C=C1 N14277 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.1703 CCC(=O)C1=C(C)C=C(C)C=C1 N12084 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.1703 CCC(=O)C1=C(Cl)C=C(C)C=C1 N14082 [0,2,0,0,0,0|2,0,0]=4 323 B12R1.1703 CCC(=O)C1=C(F)C=C(C)C=C1 N14029 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.1703 COC(=O)C1=C(Cl)N=C(Br)C=C1 D74278 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Br F17566 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=N1 N13947 [0,2,0,0,0,0|2,0,0]=4 327 B12R1.1000 CC(=O)C1=C(Cl)C=C(Cl)N=C1Cl F13137 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.1000 CC1=CC(C)=NC(N)=C1C(N)=O AT23977 [0,2,0,0,0,0|2,0,0]=4 329 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(Cl)=N1 C75632 [0,2,0,0,0,0|2,0,0]=4 330 B12R2.606 CC1=CC2=C(C=C1)N=C(C)O2 AC6304 [0,0,0,1,0,1|2,0,0]=4 331 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 D78665 [0,0,0,1,0,1|2,0,0]=4 332 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 AC5757 [0,0,0,1,0,1|2,0,0]=4 333 B12R2.606 CC1=CC2=CN=C(O)C=C2N1 C14303 [0,0,0,1,0,1|2,0,0]=4 334 B12R2.606 CC1=CN=C2NC(C)=CC2=C1 I10967 [0,0,0,1,0,1|2,0,0]=4 335 B12R2.606 CC1=NC2=C(C=C1)N=C(N)N2 D73149 [0,0,0,1,0,1|2,0,0]=4 336 B12R2.606 CC1=NC2=C(C=C1)OC(S)=N2 F51231 [0,0,0,1,0,1|2,0,0]=4 337 B12R2.606 CC1=NN2C=C(Cl)N=C2C=C1 69026 [0,0,0,1,0,1|2,0,0]=4 338 B12R2.606 CC1=NN2C=CC(Br)=NC2=C1 D74480 [0,0,0,1,0,1|2,0,0]=4 339 B12R2.606 ClC1=NC2=C(C=C1)NC(Br)=C2 57480 [0,0,0,1,0,1|2,0,0]=4 340 B12R2.612 CC1=CC2=C(C=C1)C(=O)NC2 F21430 [0,1,0,1,0,0|2,0,0]=4 341 B12R2.612 CC1=CNC2=C1C=CC(N)=N2 P14438 [0,1,0,1,0,0|1,0,0]=3 342 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 V10221 [0,1,0,1,0,0|2,0,0]=4 343 B12R2.612 CN1C=CC2=CC(Cl)=NC=C21 96216 [0,1,0,1,0,0|2,0,0]=4 344 B12R2.612 ClC1=CNC2=C1C=CC(Cl)=N2 91251 [0,1,0,1,0,0|2,0,0]=4 345 B12R2.612 O=C1CCC2=C1C=CC(Cl)=N2 94539 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.1 CC1=NNC(C=O)=C1 79805 [1,0,0,0,1,0|2,0,0]=4 347 B8R1.1 CC1=NSC(C=O)=C1 C16590 [1,0,0,0,1,0|2,0,0]=4 348 B8R1.1 CCC1=NN(C)C=C1 C91459 [1,0,0,0,1,0|1,0,1]=4 349 B8R1.1 CNC1=NN(C)C=C1 AT14076 [1,0,0,0,1,0|2,0,0]=4 350 B8R1.1 COC1=CN(C)N=C1 C91427 [1,0,0,0,1,0|2,0,0]=4 351 B8R1.1 COC1=NN(C)C=C1 AT24917 [1,0,0,0,1,0|2,0,0]=4 352 B8R1.7 C=C(C)C1=NC=CS1 T71747 [1,0,0,0,1,0|1,0,0]=3 353 B8R1.7 CC(=O)C1=CN=CO1 F19037 [1,0,0,0,1,0|2,0,0]=4 354 B8R1.7 CC(=O)C1=COC=N1 AT18593 [1,0,0,0,1,0|2,0,0]=4 355 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [1,0,0,0,1,0|2,0,0]=4 356 B10R1.18 CC(=O)NC1=CN=CN=C1 F18145 [1,0,0,0,0,1|2,0,0]=4 357 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [1,0,0,0,0,1|2,0,0]=4 358 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [1,0,0,0,0,1|2,0,0]=4 359 B12R1.21 CC(=O)NCC1=CN=C(Cl)C=C1 F12000 [0,0,0,0,0,2|2,0,0]=4