0 B18R2.7189 C\C(=N/OCC1=CC=CC=C1)C2=NC=CC=C2 D81184 [0,0,0,0,0,0|4,0,0]=4 1 B18R2.7189 O=C(NCCC1=CC=CC=C1)C2=CC=CC=C2 A11029 [0,0,0,0,0,0|1,0,0]=1 2 B18R2.7189 O[C@@H](CNCC1=CC=CC=C1)C2=CC=CC=C2 FD1193 [0,0,0,0,0,0|2,0,2]=4 3 B17R2.2382 C1=CC=C(C[Se][Se]CC2=CC=CC=C2)C=C1 H10814 [1,0,0,0,0,0|1,1,1]=4 4 B17R2.2382 C1=CC=C(NCCNC2=CC=CC=C2)C=C1 D89737 [1,0,0,0,0,0|3,0,0]=4 5 B17R2.2382 C1=CC=C(OCCOC2=CC=CC=C2)C=C1 C11696 [1,0,0,0,0,0|3,0,0]=4 6 B17R2.2382 C1=CC=C(SCCSC2=CC=CC=C2)C=C1 D89005 [1,0,0,0,0,0|3,0,0]=4 7 B17R2.2382 C1=CC=C(\C=C\C=C\C2=CC=CC=C2)C=C1 D77776 [1,0,0,0,0,0|1,0,2]=4 8 B17R2.2382 C1=CC=C(\C=N\N=C\C2=CC=CC=C2)C=C1 D82995 [1,0,0,0,0,0|2,0,1]=4 9 B19R2.5666 O=C(OCCC1=CC=CC=C1)C2=C(O)C=CC=C2 D92192 [0,1,0,0,0,0|0,0,0]=1 10 B19R2.8898 O=C(CCC(=O)C1=CC=CC=C1)C2=CC=CC=C2 67607 [0,1,0,0,0,0|1,0,1]=3 11 B19R2.8898 O=C(CNC(=O)C1=CC=CC=C1)C2=CC=CC=C2 37389 [0,1,0,0,0,0|1,0,1]=3 12 B19R2.8898 O=C(NNC(=O)C1=CC=CC=C1)C2=CC=CC=C2 D89603 [0,1,0,0,0,0|2,0,1]=4 13 B19R2.8898 O=C(\C=C\C(=O)C1=CC=CC=C1)C2=CC=CC=C2 D90008 [0,1,0,0,0,0|1,0,2]=4 14 B19R2.8898 O=S(CCS(=O)C1=CC=CC=C1)C2=CC=CC=C2 N12155 [0,1,0,0,0,0|3,0,0]=4 15 B19R2.8929 O=C(CC(=O)C1=CC=CC=C1)NC2=CC=CC=C2 D88713 [0,1,0,0,0,0|2,0,1]=4 16 B19R3.27 C1=CC=C([C@@H]2COC(C3=NC=CC=C3)=N2)C=C1 D74637 [0,0,0,1,0,0|2,0,0]=3 17 B19R3.9008 O=C1NN=C(C2=CC=CC=C2)C3=C1C=CC=C3 54469 [0,0,0,1,0,0|2,0,1]=4 18 B19R3.17443 NC1=NN(CC2=CC=CC=C2)C3=C1C=CC=C3 D80418 [0,0,0,1,0,0|3,0,0]=4 19 B19R3.17443 O=C1O\C(=C/C2=CC=CC=C2)C3=C1C=CC=C3 AT15806 [0,0,0,1,0,0|0,0,2]=3 20 B19R3.17443 OC1=NN(CC2=CC=CC=C2)C3=C1C=CC=C3 D78420 [0,0,0,1,0,0|2,0,1]=4 21 B19R3.17443 [O-]C1=NN(CC2=CC=CC=C2)C3=C1C=CC=C3 D83562 [0,0,0,1,0,0|2,0,1]=4 22 B17R2.2342 C[C@@H](CCC1=CC=CC=C1)C2=CC=CC=C2 H11159 [0,0,0,0,1,0|1,0,1]=3 23 B17R2.2342 C[C@H](NCC1=CC=CC=C1)C2=CC=CC=C2 D95800 [0,0,0,0,1,0|2,0,1]=4 24 B17R2.2342 C[C@H](NCC1=CC=CC=C1)C2=CC=CC=C2 FD1238 [0,0,0,0,1,0|2,0,1]=4 25 B17R2.2342 C[C@H](NCC1=CC=CC=C1)C2=CC=CC=C2 FD1241 [0,0,0,0,1,0|2,0,1]=4 26 B17R2.2342 O=C(CCC1=CC=CC=C1)C2=CC=CC=C2 AC9766 [0,0,0,0,1,0|0,0,0]=1 27 B17R2.2342 O=C(COC1=CC=CC=C1)C2=CC=CC=C2 34156 [0,0,0,0,1,0|1,0,0]=2 28 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 AC8756 [0,0,0,0,1,0|1,0,0]=2 29 B17R2.2342 O=C(NNC1=CC=CC=C1)C2=CC=NC=C2 41297 [0,0,0,0,1,0|3,0,0]=4 30 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 AC7897 [0,0,0,0,1,0|0,0,2]=3 31 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 D70211 [0,0,0,0,1,0|0,0,2]=3 32 B17R2.2342 O[C@@H](COC1=CC=CC=C1)C2=CC=CC=C2 C75138 [0,0,0,0,1,0|1,0,2]=4 33 B17R2.2342 S=C(SCC1=CC=CC=C1)C2=CC=CC=C2 AB2646 [0,0,0,0,1,0|0,2,0]=3 34 B19R2.8900 O=C(CC1=CC=CC=C1)OCCC2=CC=CC=C2 A50727 [0,0,0,0,0,1|0,0,0]=1 35 B18R2.2429 O=C(CC1=CC=CC=C1)OCC2=CC=CC=C2 D91901 [1,1,0,0,0,0|0,0,2]=4 36 B18R2.253 CC1=CC=C(C(=O)\C=C\C2=CC=CC=C2)C=C1 D97655 [0,1,0,0,1,0|0,0,2]=4 37 B18R2.253 NC1=CC=C(C(=O)NCC2=CC=CC=C2)C=C1 F21141 [0,1,0,0,1,0|1,0,0]=3 38 B18R2.253 NC1=NC=C(C(=O)OCC2=CC=CC=C2)C=C1 W11564 [0,1,0,0,1,0|1,0,0]=3 39 B18R2.253 O=C(NCC1=CC=CC=C1)C2=CC=C(Br)C=C2 D97526 [0,1,0,0,1,0|1,0,0]=3 40 B18R2.253 O=C(OCC1=CC=CC=C1)C2=CC=C(I)C=C2 24459 [0,1,0,0,1,0|0,0,0]=2 41 B18R2.253 O=C(OCC1=CC=CC=C1)C2=CC=C(O)C=C2 F16506 [0,1,0,0,1,0|0,0,0]=2 42 B18R2.253 O=C(\C=C\C1=CC=CC=C1)C2=CC=C(Cl)C=C2 N10378 [0,1,0,0,1,0|0,0,2]=4 43 B18R2.253 O=C(\C=C\C1=CC=CC=C1)C2=CC=C(F)C=C2 S10238 [0,1,0,0,1,0|0,0,2]=4 44 B18R2.253 O=C(\C=C\C1=CC=CC=C1)C2=CC=C(O)C=C2 S10951 [0,1,0,0,1,0|0,0,2]=4 45 B18R2.257 O=C(\C=C\C1=CC=C(F)C=C1)C2=CC=CC=C2 F19822 [0,1,0,0,1,0|0,0,2]=4 46 B18R2.3634 O=C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 AC7872 [0,1,0,0,1,0|0,0,1]=3 47 B18R2.3634 O=C(OC(=O)C1=CC=CC=C1)C2=CC=CC=C2 D72527 [0,1,0,0,1,0|0,0,1]=3 48 B18R2.3990 O=C(\C=C\C1=C(O)C=CC=C1)C2=CC=CC=C2 D90823 [0,1,0,0,1,0|0,0,2]=4 49 B18R2.4001 O=C(CCC1=CC=CC=C1)C2=C(O)C=CC=C2 H10379 [0,1,0,0,1,0|0,0,0]=2 50 B18R2.4001 O=C(NCC1=CC=CC=C1)C2=CC=CN=C2Cl F11199 [0,1,0,0,1,0|2,0,0]=4 51 B18R2.4001 O=C(\C=C\C1=CC=CC=C1)C2=C(O)C=CC=C2 D78085 [0,1,0,0,1,0|0,0,2]=4 52 B18R2.6463 NC1=CC=CC(C(=O)OCC2=CC=CC=C2)=C1 W15951 [0,1,0,0,1,0|0,0,0]=2 53 B18R2.6463 O=C(NCC1=CC=CC=C1)C2=CC(Br)=CN=C2 H10381 [0,1,0,0,1,0|2,0,0]=4 54 B18R2.32237 O=S(=O)(NCC1=CC=CC=C1)C2=CC=CC=C2 AR3641 [0,1,0,0,1,0|2,0,0]=4 55 B20R2.10826 O=C(CSCC(=O)C1=CC=CC=C1)C2=CC=CC=C2 D88775 [0,1,0,0,0,1|0,1,1]=4 56 B20R2.130 COC1=CC=C(C(=O)CNCC2=CC=CC=C2)C=C1 D84083 [0,2,0,0,0,0|2,0,0]=4 57 B20R2.15707 CC1=CC=C(S(=O)(=O)OCCC2=CC=CC=C2)C=C1 D82117 [0,2,0,0,0,0|1,0,0]=3 58 B20R2.4645 CN(CC(=O)C1=CC(O)=CC=C1)CC2=CC=CC=C2 D70460 [0,2,0,0,0,0|2,0,0]=4 59 B18R3.2098 C1=CC=C(CN2C=CC3=C2C=CC=C3)C=C1 77180 [1,0,0,1,0,0|2,0,0]=4 60 B18R3.2108 C1=CC=C([C@@H]2NCCC3=C2C=CC=C3)C=C1 34119 [1,0,0,1,0,0|1,0,1]=4 61 B18R3.2108 C1=CC=C([C@@H]2NCCC3=C2C=CC=C3)C=C1 65608 [1,0,0,1,0,0|1,0,1]=4 62 B18R3.2108 C1=CC=C([C@@H]2NCCC3=C2C=CC=C3)C=C1 86260 [1,0,0,1,0,0|1,0,1]=4 63 B18R3.11551 O=C1O[C@H](C2=CC=CC=C2)C3=C1C=CC=C3 D92158 [0,0,0,1,1,0|0,0,0]=2 64 B18R3.15 C1=CC=C([C@@H]2COC(C3=CC=CS3)=N2)C=C1 D86601 [0,0,0,1,1,0|2,0,0]=4 65 B20R3.2719 C1=CC=C(C[C@H]2COC(C3=NC=CC=C3)=N2)C=C1 D74636 [0,0,0,1,0,1|2,0,0]=4 66 B20R3.2719 C1=CC=C(C[C@H]2COC(C3=NC=CC=C3)=N2)C=C1 D74643 [0,0,0,1,0,1|2,0,0]=4 67 B20R3.1943595 O=C1C(=O)N(CC2=CC=CC=C2)C3=C1C=CC=C3 T70150 [0,1,0,1,0,0|2,0,0]=4 68 B16R2.2256 C1=CC=C(CCCC2=CC=CC=C2)C=C1 H11752 [1,0,0,0,1,0|0,0,1]=3 69 B16R2.2256 C1=CC=C(CCCC2=NC=CC=C2)C=C1 D92110 [1,0,0,0,1,0|1,0,1]=4 70 B16R2.2256 C1=CC=C(CCOC2=CC=CC=C2)C=C1 24432 [1,0,0,0,1,0|0,0,0]=2 71 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 D77870 [1,0,0,0,1,0|1,0,1]=4 72 B16R2.2256 C1=CC=C(CSCC2=CC=CC=C2)C=C1 D88649 [1,0,0,0,1,0|0,1,1]=4 73 B16R2.2256 C1=CC=C(SCSC2=CC=CC=C2)C=C1 D70194 [1,0,0,0,1,0|1,1,0]=4 74 B16R2.2256 C1=CC=C(\C=N\CC2=CC=CC=C2)C=C1 F16328 [1,0,0,0,1,0|1,0,0]=3 75 B16R2.2256 C1=CC=C(\C=N\NC2=CC=CC=C2)C=C1 F19596 [1,0,0,0,1,0|2,0,0]=4 76 B16R2.88 N=C(NC1=CC=CC=C1)C2=CC=CC=C2 AC2522 [0,0,0,0,2,0|2,0,0]=4 77 B16R2.88 NN(CC1=CC=CC=C1)C2=CC=CC=C2 D88647 [0,0,0,0,2,0|2,0,0]=4 78 B16R2.88 O=C(CC1=CC=CC=C1)C2=CC=CC=C2 28434 [0,0,0,0,2,0|0,0,0]=2 79 B16R2.88 O=C(C[N+]1=CC=CC=C1)C2=CC=CC=C2 D92015 [0,0,0,0,2,0|1,0,0]=3 80 B16R2.88 O=C(C[N+]1=CC=CC=C1)C2=NC=CC=C2 D91872 [0,0,0,0,2,0|2,0,0]=4 81 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=NC=C2 65128 [0,0,0,0,2,0|2,0,0]=4 82 B16R2.88 O=C(NC1=CC=CC=C1)C2=CN=CC=C2 F12013 [0,0,0,0,2,0|2,0,0]=4 83 B16R2.88 O=C(NC1=CC=CC=C1)C2=CN=CC=C2 T72833 [0,0,0,0,2,0|2,0,0]=4 84 B16R2.88 O=C(NC1=CC=CC=C1)C2=NC=CC=C2 W12751 [0,0,0,0,2,0|2,0,0]=4 85 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CC=C2 41805 [0,0,0,0,2,0|0,0,0]=2 86 B16R2.88 S=C(NC1=CC=CC=C1)C2=CC=CC=C2 T72751 [0,0,0,0,2,0|1,1,0]=4 87 B16R2.88 [NH3+][C@@H](CC1=CC=CC=C1)C2=CC=CC=C2 D89794 [0,0,0,0,2,0|1,0,1]=4 88 B16R2.2238 O=C(NCC1=CC=CC=C1)C2=CC=CO2 D82972 [0,0,0,0,2,0|2,0,0]=4 89 B16R2.5767 O=C(NCC1=CC=CO1)C2=CC=CC=C2 D93663 [0,0,0,0,2,0|2,0,0]=4 90 B20R2.174735 O=C(COCC1=CC=CC=C1)OCC2=CC=CC=C2 W18333 [0,0,0,0,0,2|2,0,0]=4 91 B20R2.174735 O=C(\C=C\C1=CC=CC=C1)OCCC2=CC=CC=C2 D71191 [0,0,0,0,0,2|0,0,0]=2