0 B17R2.3417 NC1=C(C(=O)NC2=CN=CC=C2)C=CC=C1 A55648 [0,0,0,0,0,0|3,0,0]=3 1 B17R2.3417 O=C(CC1=CC=NC=C1)C2=C(Cl)C=CC=C2 C56674 [0,0,0,0,0,0|3,0,0]=3 2 B16R2.71 BrC1=C(NCC2=CC=CC=C2)C=CC=C1 B4975 [1,0,0,0,0,0|3,0,0]=4 3 B16R2.71 FC1=C(OCC2=CC=CC=C2)C=CC=C1 B56740 [1,0,0,0,0,0|3,0,0]=4 4 B16R2.71 IC1=C(OCC2=CC=CC=C2)C=CC=C1 B65415 [1,0,0,0,0,0|3,0,0]=4 5 B16R2.71 NC1=C(NCC2=CC=CC=C2)C=CC=C1 B66762 [1,0,0,0,0,0|3,0,0]=4 6 B16R2.71 NC1=C(OCC2=CC=CC=C2)C=CC=C1 B56809 [1,0,0,0,0,0|3,0,0]=4 7 B16R2.71 OC1=C(OCC2=CC=CC=C2)C=CC=C1 B56778 [1,0,0,0,0,0|2,0,0]=3 8 B16R2.71 OC1=CC=CN=C1OCC2=CC=CC=C2 B55659 [1,0,0,0,0,0|3,0,0]=4 9 B16R2.88 CN(CC1=CC=CC=C1)C2=CC=CC=C2 B57663 [1,0,0,0,0,0|3,0,0]=4 10 B16R2.88 N=C(NC1=CC=CC=C1)C2=CC=CC=C2 P56744 [1,0,0,0,0,0|2,0,0]=3 11 B16R2.88 O=C(CC1=CC=NC=C1)C2=CC=CC=C2 P38200 [1,0,0,0,0,0|2,0,0]=3 12 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=NC=C2 P55559 [1,0,0,0,0,0|2,0,0]=3 13 B18R2.3047 COC1=C(C(=O)CC2=CC=CC=C2)C=CC=C1 M58230 [0,1,0,0,0,0|1,0,0]=2 14 B18R2.6485 CC1=CC=CC(Cl)=C1C(=O)NC2=CC=CC=C2 C57564 [0,1,0,0,0,0|2,0,0]=3 15 B18R2.6536 NC1=C(C(=O)NC2=CC=CC=C2)C=C(F)C=C1 A56700 [0,1,0,0,0,0|2,0,0]=3 16 B18R2.32648 CC1=C(NC(=O)C2=C(C)C=CC=C2)C=CC=C1 M58257 [0,1,0,0,0,0|2,0,0]=3 17 B18R2.32648 CC1=C(NC(=O)C2=C(N)C=CC=C2)C=CC=C1 A57636 [0,1,0,0,0,0|2,0,0]=3 18 B18R3.111 O=C1C2=C(C=CC=C2)CN1C3=CC=CC=C3 P57508 [0,0,0,1,0,0|2,0,0]=3 19 B18R3.2098 C1=CC=C(CC2=NNC3=C2C=CC=C3)C=C1 B39109 [0,0,0,1,0,0|3,0,0]=4 20 B18R3.92719 O=C1NC2=C(C=CC=C2)NC3=C1C=CC=C3 D67246 [0,0,0,1,0,0|2,0,0]=3 21 B18R3.92719 O=C1NC2=C(C=CC=C2)SC3=C1C=CC=C3 D57377 [0,0,0,1,0,0|1,1,0]=3 22 B16R2.3896 CC1=C(C(=O)C2=CC=CC=C2)C=CC=C1 M39722 [0,0,0,0,1,0|1,0,0]=2 23 B16R2.3896 C[C@@H](C1=CC=CC=C1)C2=C(O)C=CC=C2 P39084 [0,0,0,0,1,0|1,0,1]=3 24 B16R2.3896 NC1=C(C(=O)C2=CC=CC=C2)C=CC=C1 A39697 [0,0,0,0,1,0|1,0,0]=2 25 B16R2.3896 O=C(C1=CC=CC=C1)C2=C(Br)C=CC=C2 B57383 [0,0,0,0,1,0|1,0,0]=2 26 B16R2.3896 O=C(C1=CC=CC=C1)C2=C(Cl)C=CC=C2 C39716 [0,0,0,0,1,0|1,0,0]=2 27 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 B56774 [2,0,0,0,0,0|0,0,1]=3 28 B15R2.2195 C1=CC=C(COC2=CC=NC=C2)C=C1 B38941 [2,0,0,0,0,0|1,0,1]=4 29 B15R2.2195 C1=CC=C(COC2=CN=CC=C2)C=C1 B5427 [2,0,0,0,0,0|1,0,1]=4 30 B15R2.2195 C1=CC=C(SSC2=CC=CC=C2)C=C1 D60792 [2,0,0,0,0,0|1,1,0]=4 31 B15R2.2195 C1=CC=C(\C=N\C2=CC=CC=C2)C=C1 P62300 [2,0,0,0,0,0|1,0,0]=3 32 B17R2.496 FC1=C(COC2=CC=C(Br)C=C2)C=CC=C1 B56690 [1,1,0,0,0,0|1,0,1]=4 33 B17R2.5365 OC1=C(OCC2=CC=CC=C2)C=C(Br)C=C1 B20303 [1,1,0,0,0,0|2,0,0]=4 34 B17R2.192 CC1=CC=C(C(=O)CC2=CC=NC=C2)C=C1 P57610 [1,1,0,0,0,0|2,0,0]=4 35 B17R2.192 NC1=CC=C(C(=O)NC2=CC=CC=C2)C=C1 A56747 [1,1,0,0,0,0|1,0,0]=3 36 B17R2.192 NC1=CC=C(C(=O)NC2=CC=CC=C2)C=C1 A63700 [1,1,0,0,0,0|1,0,0]=3 37 B17R2.192 O=C(CC1=CC=CC=C1)C2=CC=C(Br)C=C2 B57535 [1,1,0,0,0,0|1,0,0]=3 38 B17R2.192 O=C(CC1=CC=CC=C1)C2=CC=C(Cl)C=C2 B57539 [1,1,0,0,0,0|1,0,0]=3 39 B17R2.192 O=C(CC1=CC=CC=C1)C2=CC=C(F)C=C2 F57542 [1,1,0,0,0,0|1,0,0]=3 40 B17R2.192 O=C(CC1=CC=NC=C1)C2=CC=C(Br)C=C2 B56673 [1,1,0,0,0,0|2,0,0]=4 41 B17R2.209 CC1=CC=C(CC(=O)C2=CN=CC=C2)C=C1 P57609 [1,1,0,0,0,0|2,0,0]=4 42 B17R2.209 O=C(CC1=CC=C(Cl)C=C1)C2=CC=CC=C2 C57540 [1,1,0,0,0,0|1,0,0]=3 43 B17R2.5273 O=C(NC1=CC=CC=C1)C2=CC(Cl)=NC=C2 C56487 [1,1,0,0,0,0|2,0,0]=4 44 B17R2.10205 O=C(C1=CC=CC=C1)N(O)C2=CC=CC=C2 N68751 [1,1,0,0,0,0|1,0,0]=3 45 B17R2.10205 O=C(C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 B69385 [1,1,0,0,0,0|1,0,0]=3 46 B17R2.381 NC1=C(C(=O)C2=CC=C(Br)C=C2)C=CC=C1 A56672 [0,1,0,0,1,0|1,0,0]=3 47 B17R2.381 NC1=C(C(=O)C2=CC=C(Cl)C=C2)C=CC=C1 A38091 [0,1,0,0,1,0|1,0,0]=3 48 B17R2.381 NC1=C(C(=O)C2=CC=C(F)C=C2)C=CC=C1 A39694 [0,1,0,0,1,0|1,0,0]=3 49 B17R2.381 O=C(C1=CC=C(F)C=C1)C2=C(F)C=CC=C2 F39712 [0,1,0,0,1,0|1,0,0]=3 50 B17R2.5305 NC1=C(F)C=CC=C1C(=O)C2=CC=CC=C2 A66984 [0,1,0,0,1,0|1,0,0]=3 51 B17R2.5356 CC1=CC(C(=O)C2=CC=CC=C2)=C(N)C=C1 A57611 [0,1,0,0,1,0|1,0,0]=3 52 B17R2.5356 NC1=C(C(=O)C2=CC=CC=C2)C=C(Br)C=C1 B56671 [0,1,0,0,1,0|1,0,0]=3 53 B17R2.5356 NC1=C(C(=O)C2=CC=CC=C2)C=C(Cl)C=C1 A60572 [0,1,0,0,1,0|1,0,0]=3 54 B17R2.5356 NC1=C(C(=O)C2=NC=CC=C2)C=C(Br)C=C1 A67821 [0,1,0,0,1,0|2,0,0]=4 55 B17R2.5356 O=C(C1=CC=CC=C1)C2=C(Cl)C=CC(Cl)=C2 D8660 [0,1,0,0,1,0|1,0,0]=3 56 B17R2.5356 O=C(C1=CC=CC=C1)C2=C(O)C=CC(Cl)=C2 C57380 [0,1,0,0,1,0|0,0,0]=2 57 B19R2.101559 O=C(CC1=CC(F)=CC=C1)C2=C(O)C=CC(F)=C2 F67096 [0,2,0,0,0,0|1,0,0]=3 58 B19R2.12255 O=C(CC1=CC=C(O)C=C1)C2=C(O)C=C(O)C=C2 D63408 [0,2,0,0,0,0|1,0,0]=3 59 B17R3.1830 C1=CC2=C(C=C1)NC3=C(C=CC=C3)OC2 D56708 [1,0,0,1,0,0|1,0,1]=4 60 B17R3.8708 C1=CC=C(C2=CC3=C(C=CC=C3)N2)C=C1 P68306 [1,0,0,1,0,0|2,0,0]=4 61 B17R3.54615 BrC1=CC2=CC=CC=C2C3=CC=CC=C13 B58046 [1,0,0,1,0,0|2,0,0]=4 62 B17R3.54615 BrC1=NC2=CC=CC=C2C3=CC=CC=C31 B57314 [1,0,0,1,0,0|2,0,0]=4 63 B17R3.54615 ClC1=NC2=CC=CC=C2C3=CC=CC=C31 C57316 [1,0,0,1,0,0|2,0,0]=4 64 B17R3.54615 IC1=CC2=CC=CC=C2C3=CC=CC=C13 K58048 [1,0,0,1,0,0|2,0,0]=4 65 B17R3.54615 [Mg+]C1=CC2=CC=CC=C2C3=CC=CC=C13 P31721 [1,0,0,1,0,0|2,0,0]=4 66 B17R3.8 C1=CC=C(C2=CNC3=C2C=CC=C3)C=C1 P38279 [0,0,0,1,1,0|2,0,0]=4 67 B17R3.8 C1=CC=C(C2=NNC3=C2C=CC=C3)C=C1 P56649 [0,0,0,1,1,0|2,0,0]=4 68 B17R3.35227 BrC1=C2C=CC=CC2=CC3=CC=CC=C31 B58044 [0,0,0,1,1,0|2,0,0]=4 69 B17R3.35227 CC1=C2C=CC=CC2=NC3=CC=CC=C31 M57500 [0,0,0,1,1,0|2,0,0]=4 70 B17R3.35227 ClC1=C2C=CC=CC2=CC3=CC=CC=C31 C58047 [0,0,0,1,1,0|2,0,0]=4 71 B17R3.35227 ClC1=C2C=CC=CC2=NC3=CC=CC=C31 C68749 [0,0,0,1,1,0|2,0,0]=4 72 B17R3.35227 O=C1C2=C(C=CC=C2)NC3=C1C=CC=C3 A67922 [0,0,0,1,1,0|1,0,0]=3 73 B17R3.35227 O=C1C2=C(C=CC=C2)SC3=C1C=CC=C3 T63392 [0,0,0,1,1,0|0,1,0]=3 74 B17R3.35227 OC1C2=C(C=CC=C2)OC3=C1C=CC=C3 X68809 [0,0,0,1,1,0|0,0,2]=4 75 B17R3.51174 O=C1C2=C(C=CC=C2)C3=CC=CC(F)=C13 F62001 [0,0,0,1,1,0|1,0,0]=3 76 B19R3.6048 O=C1C2=C(C=CC=C2)C=NN1C3=CC=CC=C3 P62985 [0,1,0,1,0,0|2,0,0]=4 77 B19R3.6049 O=C1C2=C(C=CC=C2)C(O)=C1C3=CC=NC=C3 H58057 [0,1,0,1,0,0|2,0,0]=4 78 B19R3.157896 O=C1NC2=C(C=CC=C2)C=CC3=C1C=CC=C3 D62684 [0,1,0,1,0,0|2,0,0]=4 79 B19R3.4334 OC1=C(C2=NC3=C(C=CC=C3)N2)C=C(Br)C=C1 B57353 [0,1,0,1,0,0|2,0,0]=4 80 B19R3.5744 ClC1=CC2=C(C=C1)OC3=C(C=CC=C3)N=C2Cl D66135 [0,1,0,1,0,0|2,0,0]=4 81 B19R3.5744 O=C1NC2=C(C=CC=C2)OC3=C1C=C(Cl)C=C3 C60571 [0,1,0,1,0,0|1,0,0]=3 82 B19R3.5744 O=C1NC2=C(C=CC=C2)SC3=C1C=C(Cl)C=C3 C57329 [0,1,0,1,0,0|1,1,0]=4 83 B19R3.87160 O=C1CC2=C(C=CC(Cl)=C2)OC3=C1C=CC=C3 C65824 [0,1,0,1,0,0|1,0,0]=3 84 B15R2.38 BrC1=C(NC2=CC=CC=C2)C=CC=C1 B61996 [1,0,0,0,1,0|2,0,0]=4 85 B15R2.38 BrC1=C(OC2=CC=CC=C2)C=CC=C1 B56542 [1,0,0,0,1,0|1,0,0]=3 86 B15R2.38 CC1=C(NC2=CC=CC=C2)C=CC=C1 M56798 [1,0,0,0,1,0|2,0,0]=4 87 B15R2.38 IC1=C(OC2=CC=CC=C2)C=CC=C1 K56549 [1,0,0,0,1,0|1,0,0]=3 88 B15R2.38 NC1=C(CC2=CC=CC=C2)C=CC=C1 B56797 [1,0,0,0,1,0|1,0,1]=4 89 B15R2.38 NC1=C(NC2=CC=CC=C2)C=CC=C1 P68839 [1,0,0,0,1,0|2,0,0]=4 90 B15R2.38 NC1=C(OC2=CC=CC=C2)C=CC=C1 P39672 [1,0,0,0,1,0|1,0,0]=3 91 B15R2.38 NC1=C(OC2=CC=CC=C2)C=CC=N1 P54268 [1,0,0,0,1,0|2,0,0]=4 92 B15R2.38 OC1=C(CC2=CC=CC=C2)C=CC=C1 B68950 [1,0,0,0,1,0|0,0,1]=3 93 B15R2.38 OC1=C(OC2=CC=CC=C2)C=CC=C1 P55607 [1,0,0,0,1,0|0,0,0]=2 94 B15R2.2226 CN(C1=CC=CC=C1)C2=CC=CC=C2 M39700 [1,0,0,0,1,0|2,0,0]=4 95 B15R2.2226 CP(C1=CC=CC=C1)C2=CC=CC=C2 M56843 [1,0,0,0,1,0|2,0,0]=4 96 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 B15570 [1,0,0,0,1,0|1,0,0]=3 97 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 D57401 [1,0,0,0,1,0|1,0,0]=3 98 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 D15569 [1,0,0,0,1,0|1,0,1]=4 99 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CC=C2 B60761 [1,0,0,0,1,0|0,0,0]=2 100 B15R2.2226 O=C(C1=CN=CC=C1)C2=CN=CC=C2 D55222 [1,0,0,0,1,0|2,0,0]=4 101 B15R2.2226 O=C(C1=NC=CC=C1)C2=NC=CC=C2 D67440 [1,0,0,0,1,0|2,0,0]=4 102 B15R2.2226 O=S(C1=CC=CC=C1)C2=CC=CC=C2 S68797 [1,0,0,0,1,0|1,0,0]=3 103 B15R2.2226 O=[PH](C1=CC=CC=C1)C2=CC=CC=C2 D67906 [1,0,0,0,1,0|1,0,0]=3 104 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 D67582 [1,0,0,0,1,0|0,0,2]=4 105 B15R2.2226 [SiH3]C(C1=CC=CC=C1)C2=CC=CC=C2 D56889 [1,0,0,0,1,0|1,0,1]=4 106 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 B57604 [1,0,0,0,0,1|1,0,0]=3 107 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CN=CC=C2 B64780 [1,0,0,0,0,1|1,0,0]=3 108 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 D69396 [1,0,0,0,0,1|1,0,0]=3 109 B17R2.2342 O[C@@H](COC1=CC=CC=C1)C2=CC=CC=C2 P57651 [1,0,0,0,0,1|0,0,2]=4 110 B19R2.4485 O=C(C=CC1=CC=CC=C1)NC2=C(F)C=CC=C2 F58161 [0,0,0,0,0,2|2,0,0]=4 111 B19R2.4485 O=C(CCC1=CC=CC=C1)NC2=C(Br)C=CC=C2 B60692 [0,0,0,0,0,2|2,0,0]=4 112 B19R2.4485 O=C(NC1=CC=CNC1=O)OCC2=CC=CC=C2 B56754 [0,0,0,0,0,2|1,0,1]=4