0 B15R2.2226 N[C@@H](C1=CC=CC=C1)C2=CC=NC=C2 AT26588 [0,0,0,0,0,0|2,0,1]=3 1 B15R2.2226 O=C(C1=CN=CC=C1)C2=NC=CC=C2 C10337 [0,0,0,0,0,0|2,0,0]=2 2 B15R2.2226 O=[13C](C1=CC=CC=C1)C2=CC=CC=C2 D99418 [0,0,0,0,0,0|0,0,0]=0 3 B15R2.2226 O[C@@H](C1=CC=CC=C1)C2=CN=CC=C2 AR2837 [0,0,0,0,0,0|1,0,2]=3 4 B14R2.6 C1=CC=C(C[N+]2=CC=NC=C2)C=C1 AC4633 [1,0,0,0,0,0|2,0,1]=4 5 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 T71142 [1,0,0,0,0,0|1,0,0]=2 6 B14R2.6 C1=CN=C(CC2=CC=NC=C2)C=C1 71411 [1,0,0,0,0,0|2,0,1]=4 7 B14R2.6 C1=CN=C(CC2=CN=CC=C2)C=C1 72433 [1,0,0,0,0,0|2,0,1]=4 8 B16R2.120 CN(C1=CC=CC=C1)C2=CC=C(Br)C=C2 E71589 [0,1,0,0,0,0|2,0,0]=3 9 B16R2.120 N[C@@H](C1=CC=C(Br)C=C1)C2=NC=CC=C2 F52950 [0,1,0,0,0,0|2,0,1]=4 10 B16R2.120 N[C@@H](C1=CC=C(Cl)C=C1)C2=CN=CC=C2 28581 [0,1,0,0,0,0|2,0,1]=4 11 B16R2.120 O=C(C1=CC=C(Br)C=C1)C2=NC=CC=C2 D87931 [0,1,0,0,0,0|1,0,0]=2 12 B16R2.187 CC[S+](C1=CC=CC=C1)C2=CC=CC=C2 AT12857 [0,1,0,0,0,0|2,0,0]=3 13 B16R2.236 N[C@@H](C1=CC=CC=C1)C2=CC=CC(Cl)=C2 N12582 [0,1,0,0,0,0|1,0,1]=3 14 B16R2.236 O=C(C1=CC=CC(Br)=C1)C2=CN=CC=C2 C16389 [0,1,0,0,0,0|1,0,0]=2 15 B16R2.236 O=C(C1=CC=CC=C1)C2=CC=CC(F)=N2 91496 [0,1,0,0,0,0|1,0,0]=2 16 B16R2.236 O[C@@H](C1=CC=CC=C1)C2=CC=CC(Br)=N2 W12628 [0,1,0,0,0,0|1,0,2]=4 17 B16R2.2945 CC(N)(C1=CC=CC=C1)C2=CC=CC=C2 C77603 [0,1,0,0,0,0|1,0,1]=3 18 B16R2.2945 Cl[Ge](Cl)(C1=CC=CC=C1)C2=CC=CC=C2 T70368 [0,1,0,0,0,0|1,1,0]=3 19 B16R2.3896 NC1=C([C@@H](O)C2=CC=NC=C2)C=CC=C1 F12975 [0,1,0,0,0,0|1,0,2]=4 20 B16R3.20606 NC1C2=C(C=CC=C2)C3=C1C=CC=C3 36654 [0,0,0,1,0,0|1,0,1]=3 21 B16R3.20606 O=[Se]1C2=C(C=CC=C2)C3=C1C=CC=C3 A50074 [0,0,0,1,0,0|1,0,0]=2 22 B14R2.114 O=C(C1=CC=CC=C1)N2C=CCC2 C16231 [0,0,0,0,1,0|1,0,2]=4 23 B14R2.114 O=C(C1=CC=CC=C1)N2CC=CC2 C14918 [0,0,0,0,1,0|1,0,2]=4 24 B14R2.114 O=C(C1=CC=CS1)C2=NC=CC=C2 32798 [0,0,0,0,1,0|2,0,0]=3 25 B16R2.88 N[C@@H](CC1=CC=CN=C1)C2=CC=CC=C2 F50579 [0,0,0,0,0,1|2,0,1]=4 26 B16R2.88 N[C@@H](CC1=CC=NC=C1)C2=CC=CC=C2 F50580 [0,0,0,0,0,1|2,0,1]=4 27 B16R2.88 N[C@@H](CC1=NC=CC=C1)C2=CC=CC=C2 F50577 [0,0,0,0,0,1|2,0,1]=4 28 B16R2.88 O=C(CC1=CC=CC=C1)C2=CC=NC=C2 N12958 [0,0,0,0,0,1|1,0,0]=2 29 B16R2.88 O=C(CC1=NC=CC=C1)C2=CC=CC=C2 F50578 [0,0,0,0,0,1|1,0,0]=2 30 B15R2.29 BrC1=CC=[N+](CC2=CC=CC=C2)C=C1 S11215 [1,1,0,0,0,0|1,0,1]=4 31 B15R2.29 BrC1=NC=C(CC2=CC=CC=C2)C=C1 AC4131 [1,1,0,0,0,0|1,0,1]=4 32 B15R2.29 O=C1C=CN(CC2=CC=CC=C2)C=C1 P10133 [1,1,0,0,0,0|1,0,1]=4 33 B15R2.31 ClC1=CC(NC2=CC=CC=C2)=CC=C1 C77692 [1,1,0,0,0,0|1,0,0]=3 34 B15R2.91 CC1=CC=C(C(=O)C2=CC=CS2)C=C1 D86994 [0,1,0,0,1,0|1,0,0]=3 35 B15R2.297 O=C(C1=CC=CC=C1)C2=CC=C(Cl)N2 D86193 [0,1,0,0,1,0|1,0,0]=3 36 B15R2.395 CN1C=CN=C1C(=O)C2=CC=CC=C2 L10037 [0,1,0,0,1,0|2,0,0]=4 37 B15R2.395 NC1=C(C(=O)C2=CC=CC=C2)C=CS1 83560 [0,1,0,0,1,0|1,0,0]=3 38 B17R2.162 N#C[C@@H](CC1=CC=CC=C1)C2=CC=CC=C2 AC5923 [0,1,0,0,0,1|1,0,1]=4 39 B17R2.162 O\N=C(/CC1=CC=CC=C1)C2=CC=CC=C2 C16802 [0,1,0,0,0,1|0,0,1]=3 40 B17R2.192 CC1=CC=C([S@](=O)NC2=CC=CC=C2)C=C1 F15144 [0,1,0,0,0,1|1,0,0]=3 41 B17R2.192 O=C(CC1=CC=CC=C1)C2=NC=C(Cl)C=C2 N14255 [0,1,0,0,0,1|1,0,0]=3 42 B17R2.192 O=C(CC1=CC=NC=C1)C2=CC=C(F)C=C2 80632 [0,1,0,0,0,1|1,0,0]=3 43 B17R2.192 O=C(CC1=CN=CC=C1)C2=CC=C(Cl)C=C2 57880 [0,1,0,0,0,1|1,0,0]=3 44 B17R2.209 O=C(NC1=CC=C(Br)C=C1)C2=CC=CC=C2 C16357 [0,1,0,0,0,1|0,0,0]=2 45 B17R2.3417 FC1=C(C(=S)NC2=CC=CC=C2)C=CC=C1 97986 [0,1,0,0,0,1|0,1,0]=3 46 B17R2.3417 NC1=C(C(=O)OC2=CC=CC=C2)C=CC=C1 T71535 [0,1,0,0,0,1|0,0,0]=2 47 B17R2.3417 O=C(NC1=CC=CC=C1)C2=C(Cl)C=CC=C2 83488 [0,1,0,0,0,1|0,0,0]=2 48 B17R2.3417 O=C(NC1=CC=CC=C1)C2=C(F)C=CC=C2 78467 [0,1,0,0,0,1|0,0,0]=2 49 B17R2.5273 O=C(CC1=CC=CC=C1)C2=CC(Br)=CN=C2 N14273 [0,1,0,0,0,1|1,0,0]=3 50 B17R2.5273 O=C(CC1=CC=CC=C1)C2=NC=CC(Cl)=C2 N14252 [0,1,0,0,0,1|1,0,0]=3 51 B17R2.5273 O=C(CC1=CN=CC=C1)C2=CC=CC(Cl)=C2 57882 [0,1,0,0,0,1|1,0,0]=3 52 B17R2.5293 O=C(CC1=CC(F)=NC=C1)C2=CC=CC=C2 C92292 [0,1,0,0,0,1|1,0,0]=3 53 B17R2.5293 O=C(NC1=CC(Cl)=NC=C1)C2=CC=CC=C2 D81155 [0,1,0,0,0,1|1,0,0]=3 54 B17R2.10205 [2H]\C(C1=CC=CC=C1)=C(\[2H])C2=CC=CC=C2 D97936 [0,1,0,0,0,1|1,0,0]=3 55 B17R2.191 CC1=CC=C(C(=O)C2=CC=CC(Br)=N2)C=C1 F13883 [0,2,0,0,0,0|1,0,0]=3 56 B17R2.191 CC1=CC=CC(C(=O)C2=CC=C(O)C=C2)=C1 AC6671 [0,2,0,0,0,0|0,0,0]=2 57 B17R2.191 O=C(C1=CC=C(Br)C=C1)C2=CC=CC(Br)=C2 F50129 [0,2,0,0,0,0|0,0,0]=2 58 B17R2.217 CC1=CC=C(B(O)C2=CC=C(C)C=C2)C=C1 H11973 [0,2,0,0,0,0|1,0,1]=4 59 B17R2.217 CC1=CC=C(C(=O)C2=CC=C(Cl)C=C2)C=C1 34169 [0,2,0,0,0,0|0,0,0]=2 60 B17R2.217 CC1=CC=C(P(Cl)C2=CC=C(C)C=C2)C=C1 F16265 [0,2,0,0,0,0|2,0,0]=4 61 B17R2.217 O=C(C1=CC=C(O)C=C1)C2=CC=C(Br)C=C2 D86840 [0,2,0,0,0,0|0,0,0]=2 62 B17R2.219 NC1=C(N)C=C(C(=O)C2=CC=CC=C2)C=C1 D89955 [0,2,0,0,0,0|0,0,0]=2 63 B17R2.291 N#C[C@@H](C1=CC=CC=C1)C2=CC=C(F)C=C2 AR3584 [0,2,0,0,0,0|1,0,1]=4 64 B17R2.381 O=C(C1=CC=C(Cl)C=C1)C2=C(Br)C=CC=C2 D85667 [0,2,0,0,0,0|0,0,0]=2 65 B17R2.381 O=C(C1=CC=C(O)C=C1)C2=C(Cl)C=CC=C2 F11674 [0,2,0,0,0,0|0,0,0]=2 66 B17R2.381 O=C(C1=CC=C(O)C=C1)C2=C(O)C=CC=C2 T71117 [0,2,0,0,0,0|0,0,0]=2 67 B17R2.5362 NC1=C(C(=O)C2=CC=CC=C2)C=CC(Br)=C1 C11088 [0,2,0,0,0,0|0,0,0]=2 68 B17R2.2712 NCC(O)(C1=CC=CC=C1)C2=CC=CC=C2 C78224 [0,2,0,0,0,0|0,0,2]=4 69 B17R2.2712 O=P(NO)(C1=CC=CC=C1)C2=CC=CC=C2 I11665 [0,2,0,0,0,0|1,0,0]=3 70 B17R2.5711 C[C@H](N)C(C1=CC=CC=C1)C2=CC=CC=C2 F50505 [0,2,0,0,0,0|1,0,1]=4 71 B17R2.5288 NC1=CC=CC(S(=O)(=O)C2=CC=CC=C2)=C1 AT13309 [0,2,0,0,0,0|1,0,0]=3 72 B17R2.5288 O=S(=O)(C1=CC=CC=C1)C2=CC=CC(Br)=C2 AT13310 [0,2,0,0,0,0|1,0,0]=3 73 B15R2.21 O=CC1=C(C2=CC=CC=C2)N=CC=C1 N11638 [0,0,1,1,0,0|2,0,0]=4 74 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)[Se]2 A50068 [1,0,0,1,0,0|1,0,0]=3 75 B15R3.173 O=C1C2=C(C=CC=C2)C3=C1C=CS3 T72639 [0,0,0,1,1,0|1,0,0]=3 76 B15R3.173 O=C1C2=CN=CN2C3=C1C=CC=C3 Y10976 [0,0,0,1,1,0|2,0,0]=4 77 B17R3.8708 C1=CC=C(C2=CC3=C(C=CC=C3)O2)C=C1 54408 [0,0,0,1,0,1|0,0,1]=3 78 B17R3.8708 C1=CC=C(C2=CN3C=CC=CC3=C2)C=C1 65282 [0,0,0,1,0,1|2,0,0]=4 79 B17R3.8708 C1=CC=C(N2C=C3C=CC=CC3=N2)C=C1 52798 [0,0,0,1,0,1|2,0,0]=4 80 B17R3.8708 C1=CN=C(C2=CC3=C(C=CC=C3)S2)C=C1 F16712 [0,0,0,1,0,1|1,1,0]=4 81 B17R3.31713 O=C1C2=C(C=CC=C2)C3=C1C=CC(O)=C3 91666 [0,1,0,1,0,0|0,0,0]=2 82 B17R3.8 C1=CC2=C(C=C1)C(C3=CC=NC=C3)=NN2 C91093 [0,1,0,1,0,0|2,0,0]=4 83 B17R3.8 C1=CC=C(C2=NC=C3C=CC=CN32)C=C1 T72358 [0,1,0,1,0,0|2,0,0]=4 84 B17R3.8 C1=CN=C(C2=NNC3=C2C=CC=C3)C=C1 C91095 [0,1,0,1,0,0|2,0,0]=4 85 B17R3.8 C1=CN=CC(C2=NNC3=C2C=CC=C3)=C1 C91094 [0,1,0,1,0,0|2,0,0]=4 86 B17R3.8714 C1=CC=C(C2(C3=CC=CC=C3)CO2)C=C1 A10233 [0,1,0,1,0,0|0,0,2]=4 87 B17R3.221899 CC1(O)C2=C(C=CC=C2)C3=C1C=CC=C3 T72744 [0,1,0,1,0,0|0,0,2]=4 88 B17R3.221899 Cl[Si]1(Cl)C2=C(C=CC=C2)C3=C1C=CC=C3 97359 [0,1,0,1,0,0|1,1,0]=4 89 B17R3.35227 O=C1C2=C(C=CC=C2)NC3=C1C=NC=C3 A11796 [0,1,0,1,0,0|1,0,0]=3 90 B13R2.3 C1=CC=C(C2=CC=CN=N2)C=C1 O11049 [1,0,0,0,1,0|2,0,0]=4 91 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 E71402 [1,0,0,0,1,0|2,0,0]=4 92 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 F20805 [1,0,0,0,1,0|2,0,0]=4 93 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 T72223 [1,0,0,0,1,0|2,0,0]=4 94 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 T72948 [1,0,0,0,1,0|2,0,0]=4 95 B15R2.2195 C1=CC=C(COC2=CN=CC=C2)C=C1 W18609 [1,0,0,0,0,1|1,0,1]=4 96 B15R2.64 O=C(CC1=CC=CC=C1)C2=CC=CO2 N14290 [0,0,0,0,1,1|1,0,0]=3 97 B15R2.64 O=C(SC1=NC=CC=C1)C2=CSC=C2 C16292 [0,0,0,0,1,1|2,0,0]=4 98 B17R2.143 NC(CC1=CC=CC=C1)CC2=CC=CC=C2 E10206 [0,0,0,0,0,2|1,0,1]=4 99 B17R2.143 O=C(NC1=CN=CC=C1)NC2=CN=CC=C2 AB10036 [0,0,0,0,0,2|2,0,0]=4 100 B17R2.2342 O=C(NCC1=NC=CN=C1)C2=CC=CC=C2 C91464 [0,0,0,0,0,2|2,0,0]=4