0 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 B8370 [0,0,0,0,0,0|1,1,0]=2 1 B15R2.2195 C1=CC=C(CSC2=CC=CC=C2)C=C1 B9050 [0,0,0,0,0,0|1,0,0]=1 2 B15R2.2195 C1=CC=C(NNC2=CC=CC=C2)C=C1 D8371 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.2195 C1=CN=C(SSC2=NC=CC=C2)C=C1 D9920 [0,0,0,0,0,0|2,0,0]=2 4 B16R2.71 NC1=C(NCC2=CC=CC=C2)C=CN=C1 A15139 [0,1,0,0,0,0|3,0,0]=4 5 B16R2.71 NC1=C(OCC2=CC=CC=C2)N=CC=C1 B15554 [0,1,0,0,0,0|2,1,0]=4 6 B16R2.71 NC1=CC=CN=C1NCC2=CC=CC=C2 B15308 [0,1,0,0,0,0|3,0,0]=4 7 B16R2.71 NC1=NC=CC=C1OCC2=CC=CC=C2 A3225 [0,1,0,0,0,0|2,1,0]=4 8 B16R2.71 OC1=CC=CN=C1OCC2=CC=CC=C2 B15595 [0,1,0,0,0,0|2,1,0]=4 9 B16R2.132 ClC1=CC=C(OCC2=CC=CC=C2)C=C1 B9851 [0,1,0,0,0,0|1,1,0]=3 10 B16R2.132 FC1=CC=C(OCC2=CC=CC=C2)C=C1 B9125 [0,1,0,0,0,0|1,1,0]=3 11 B16R2.132 OC1=CC=C(OCC2=CC=CC=C2)C=C1 B3701 [0,1,0,0,0,0|1,1,0]=3 12 B16R2.132 OC1=CC=C(OCC2=CC=CC=C2)N=C1 B15594 [0,1,0,0,0,0|2,1,0]=4 13 B16R2.132 [O-][N+]1=CC=C(OCC2=CC=CC=C2)C=C1 B9084 [0,1,0,0,0,0|2,1,0]=4 14 B16R2.252 BrC1=CC(OCC2=CC=CC=C2)=CN=C1 B16957 [0,1,0,0,0,0|2,1,0]=4 15 B16R2.252 FC1=CC(OCC2=CC=CC=C2)=CC=C1 F9128 [0,1,0,0,0,0|1,1,0]=3 16 B14R2.6 C1=CC=C(CC2=CC=NC=C2)C=C1 B11585 [0,0,0,0,1,0|2,0,0]=3 17 B14R2.6 C1=CC=C(NC2=NC=CC=N2)C=C1 P17428 [0,0,0,0,1,0|3,0,0]=4 18 B16R2.2256 C1=CC=C(CNCC2=CC=NC=C2)C=C1 B8963 [0,0,0,0,0,1|3,0,0]=4 19 B16R2.2256 C1=CC=C(CNCC2=CN=CC=C2)C=C1 B8961 [0,0,0,0,0,1|3,0,0]=4 20 B16R2.2256 C1=CC=C(CNCC2=NC=CC=C2)C=C1 B8962 [0,0,0,0,0,1|3,0,0]=4 21 B15R2.29 BrC1=CC=C(CC2=CC=CC=C2)C=C1 B10934 [0,1,0,0,1,0|1,0,0]=3 22 B15R2.29 CC1=CC=C(NC2=CC=CC=C2)C=C1 M12953 [0,1,0,0,1,0|1,0,0]=3 23 B15R2.29 CC1=CC=C(SC2=CC=CC=C2)C=C1 M9051 [0,1,0,0,1,0|0,0,0]=2 24 B15R2.29 ClC1=CC=C(CC2=CC=CC=C2)C=C1 C9139 [0,1,0,0,1,0|1,0,0]=3 25 B15R2.29 ClC1=CC=C(CC2=NC=CC=C2)C=C1 P6925 [0,1,0,0,1,0|2,0,0]=4 26 B15R2.29 ClC1=CC=C(OC2=CC=CC=C2)C=C1 C9217 [0,1,0,0,1,0|0,1,0]=3 27 B15R2.29 NC1=CC=C(CC2=CC=CC=C2)C=C1 B8335 [0,1,0,0,1,0|1,0,0]=3 28 B15R2.29 NC1=CC=C(NC2=CC=CC=C2)C=C1 P4974 [0,1,0,0,1,0|1,0,0]=3 29 B15R2.29 NC1=CC=C(OC2=CC=CC=C2)N=C1 A15201 [0,1,0,0,1,0|1,1,0]=4 30 B15R2.29 OC1=CC=C(OC2=CC=CC=C2)C=C1 P8446 [0,1,0,0,1,0|0,1,0]=3 31 B15R2.31 NC1=CC=CC(CC2=CC=CC=C2)=C1 B8336 [0,1,0,0,1,0|1,0,0]=3 32 B15R2.31 NC1=NC(CC2=CC=CC=C2)=CC=C1 A14519 [0,1,0,0,1,0|2,0,0]=4 33 B15R2.31 OC1=CC(NC2=CC=CC=C2)=CC=C1 H0711 [0,1,0,0,1,0|1,0,0]=3 34 B15R2.38 BrC1=CC=CC=C1CC2=CC=CC=C2 B10935 [0,1,0,0,1,0|1,0,0]=3 35 B15R2.38 ClC1=C(OC2=CC=CC=C2)C=CC=C1 C9218 [0,1,0,0,1,0|0,1,0]=3 36 B15R2.38 NC1=C(NC2=CC=CC=C2)C=CC=C1 P8373 [0,1,0,0,1,0|1,0,0]=3 37 B15R2.38 NC1=CC=CC=C1OC2=CC=CC=C2 P8408 [0,1,0,0,1,0|0,1,0]=3 38 B15R2.38 NC1=CC=CC=C1SC2=CC=CC=C2 A9090 [0,1,0,0,1,0|0,0,0]=2 39 B15R2.38 NC1=CC=CN=C1NC2=CC=CC=C2 A15136 [0,1,0,0,1,0|2,0,0]=4 40 B15R2.38 OC1=C(CC2=CC=CC=C2)C=CC=C1 B0181 [0,1,0,0,1,0|1,0,0]=3 41 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 B8254 [0,1,0,0,1,0|1,0,0]=3 42 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 A8334 [0,1,0,0,1,0|1,0,0]=3 43 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 A8334 [0,1,0,0,1,0|1,0,0]=3 44 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 B9894 [0,1,0,0,1,0|1,0,0]=3 45 B15R2.2226 NN(C1=CC=CC=C1)C2=CC=CC=C2 D16720 [0,1,0,0,1,0|1,0,0]=3 46 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CC=C2 B18819 [0,1,0,0,1,0|1,0,0]=3 47 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=NC=C2 B11584 [0,1,0,0,1,0|2,0,0]=4 48 B17R2.216 CC1=CC=C(CNCC2=CC=CC=C2)C=C1 B9512 [0,1,0,0,0,1|2,0,0]=4 49 B17R2.216 ClC1=CC=C(CNCC2=CC=CC=C2)C=C1 B10367 [0,1,0,0,0,1|2,0,0]=4 50 B17R2.216 FC1=CC=C(CNCC2=CC=CC=C2)C=C1 B9698 [0,1,0,0,0,1|2,0,0]=4 51 B17R2.216 NC1=CC=C(COCC2=CC=CC=C2)C=C1 B15560 [0,1,0,0,0,1|1,1,0]=4 52 B17R2.2342 CC(NCC1=CC=CC=C1)C2=CC=CC=C2 B19065 [0,1,0,0,0,1|2,0,0]=4 53 B17R2.2342 CC(NCC1=CC=CC=C1)C2=CC=CC=C2 B19065 [0,1,0,0,0,1|2,0,0]=4 54 B17R2.2342 C[C@H](NCC1=CC=CC=C1)C2=CC=CC=C2 B2710 [0,1,0,0,0,1|2,0,0]=4 55 B17R2.2342 C[C@H](NCC1=CC=CC=C1)C2=CC=CC=C2 B2710 [0,1,0,0,0,1|2,0,0]=4 56 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 B9502 [0,1,0,0,0,1|2,0,0]=4 57 B17R2.3956 CC1=C(CNCC2=CC=CC=C2)C=CC=C1 B9513 [0,1,0,0,0,1|2,0,0]=4 58 B17R2.3956 ClC1=C(CNCC2=CC=CC=C2)C=CC=C1 B10366 [0,1,0,0,0,1|2,0,0]=4 59 B17R2.262 NNC1=C(OCC2=CC=CC=C2)C=CC=C1 B14719 [0,2,0,0,0,0|1,1,0]=4 60 B17R2.496 OC1=CC=CC=C1CNC2=CC=C(F)C=C2 F14804 [0,2,0,0,0,0|2,0,0]=4 61 B17R2.5121 ClC1=CC=CC=C1SSC2=C(Cl)C=CC=C2 D3914 [0,2,0,0,0,0|0,0,0]=2 62 B17R2.5121 NC1=CC=CC=C1SSC2=C(N)C=CC=C2 D3909 [0,2,0,0,0,0|0,0,0]=2 63 B17R2.5360 FC1=CC(Br)=CC=C1OCC2=CC=CC=C2 B18351 [0,2,0,0,0,0|1,1,0]=4 64 B17R2.5360 NC1=CC(F)=C(OCC2=CC=CC=C2)C=C1 B12694 [0,2,0,0,0,0|1,1,0]=4 65 B17R2.162 OC[C@@H](NC1=CC=CC=C1)C2=CC=CC=C2 P16377 [0,2,0,0,0,0|2,0,0]=4 66 B17R2.192 O=C(CC1=CC=CC=C1)C2=CC=C(F)C=C2 F16732 [0,2,0,0,0,0|2,0,0]=4 67 B17R2.192 O=C(NC1=CC=CC=C1)C2=CC=C(Cl)C=C2 C10363 [0,2,0,0,0,0|2,0,0]=4 68 B17R2.209 NC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1 A9554 [0,2,0,0,0,0|2,0,0]=4 69 B17R2.209 O=C(NC1=CC=C(Br)C=C1)C2=CC=CC=C2 B13714 [0,2,0,0,0,0|2,0,0]=4 70 B17R2.209 O=C(NC1=CC=C(Cl)C=C1)C2=CC=CC=C2 C13752 [0,2,0,0,0,0|2,0,0]=4 71 B17R2.5273 CN(CC1=CC=CC=C1)C2=CC=CC(Cl)=C2 B10368 [0,2,0,0,0,0|2,0,0]=4 72 B17R2.5273 NC1=CC(C(=O)NC2=CC=CC=C2)=CC=C1 A9553 [0,2,0,0,0,0|2,0,0]=4 73 B17R2.5273 O=C(NC1=CC=CC=C1)C2=CC(O)=CC=C2 H9597 [0,2,0,0,0,0|2,0,0]=4 74 B17R2.5293 NC1=CC(NC(=O)C2=CC=CC=C2)=CC=C1 A1582 [0,2,0,0,0,0|2,0,0]=4 75 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@@H](N)C2=CC=CC=C2 D6029 [0,2,0,0,0,0|2,0,0]=4 76 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@H](N)C2=CC=CC=C2 M6117 [0,2,0,0,0,0|2,0,0]=4 77 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 A6028 [0,2,0,0,0,0|2,0,0]=4 78 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 A6028 [0,2,0,0,0,0|2,0,0]=4 79 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@@H](O)C2=CC=CC=C2 A4940 [0,2,0,0,0,0|2,0,0]=4 80 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@H](N)C2=CC=CC=C2 D4964 [0,2,0,0,0,0|2,0,0]=4 81 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 A5571 [0,2,0,0,0,0|2,0,0]=4 82 B17R2.10205 O=C(C1=CC=CC=C1)N(O)C2=CC=CC=C2 B9596 [0,2,0,0,0,0|2,0,0]=4 83 B17R2.20249 O=S(=O)(CC1=CC=CC=C1)C2=CC=CC=C2 B10394 [0,2,0,0,0,0|1,0,1]=4 84 B17R2.48 COC1=CC=C(OCC2=CC=CC=C2)C=C1 B9646 [0,2,0,0,0,0|1,1,0]=4 85 B17R2.48 O=CC1=CC=C(OCC2=CC=CC=C2)C=C1 B9547 [0,2,0,0,0,0|1,1,0]=4 86 B17R2.48 OCC1=CC=C(OCC2=CC=CC=C2)C=C1 B9645 [0,2,0,0,0,0|1,1,0]=4 87 B17R2.48 [C-]#[N+]C1=CC=C(OCC2=CC=CC=C2)C=C1 B9417 [0,2,0,0,0,0|1,1,0]=4 88 B17R2.207 FC1=CC=C(COC2=CC=C(Cl)C=C2)C=C1 F10538 [0,2,0,0,0,0|1,1,0]=4 89 B17R2.207 NC1=CC=C(CCC2=CC=C(N)C=C2)C=C1 E9564 [0,2,0,0,0,0|2,0,0]=4 90 B17R2.207 NC1=CC=C(SSC2=CC=C(N)C=C2)C=C1 A1977 [0,2,0,0,0,0|0,0,0]=2 91 B17R2.207 NC1=CC=C(\C=C\C2=CC=C(N)C=C2)C=C1 A18066 [0,2,0,0,0,0|2,0,0]=4 92 B17R2.207 OC1=CC=C(SSC2=CC=C(O)C=C2)C=C1 H12718 [0,2,0,0,0,0|0,0,0]=2 93 B17R2.1819 BrCC1=CC(OCC2=CC=CC=C2)=CC=C1 B12920 [0,2,0,0,0,0|1,1,0]=4 94 B17R2.1819 ClCC1=CC=CC(OCC2=CC=CC=C2)=C1 B16963 [0,2,0,0,0,0|1,1,0]=4 95 B17R2.1819 NNC1=CC=CC(OCC2=CC=CC=C2)=C1 B18325 [0,2,0,0,0,0|1,1,0]=4 96 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)S2 D2186 [0,0,0,1,1,0|0,0,0]=2 97 B17R3.1927 C1=CC=C([C@H]2O[C@@H]2C3=CC=CC=C3)C=C1 T8857 [0,0,0,1,0,1|1,1,0]=4 98 B17R3.1830 C1=CC2=C(C=C1)NC3=C(C=CC=C3)CC2 I11656 [0,1,0,1,0,0|2,0,0]=4 99 B17R3.8708 C1=CC=C(C2=CC3=CC=CC=C3N2)C=C1 P1661 [0,1,0,1,0,0|2,0,0]=4 100 B17R3.8708 C1=CC=C(C2=NC3=CC=CC=C3N2)C=C1 P1665 [0,1,0,1,0,0|2,0,0]=4 101 B17R3.54615 BrC1=CC2=CC=CC=C2C3=C1C=CC=C3 B4947 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.3 C1=CC=[N+](C2=CC=NC=C2)C=C1 P10272 [0,0,0,0,2,0|2,0,0]=4 103 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 B0513 [0,0,0,0,2,0|2,0,0]=4 104 B17R2.2382 C1=CC=C(SCCSC2=CC=CC=C2)C=C1 B10903 [0,0,0,0,0,2|0,0,0]=2