0 B17R2.193 CC1=C(C=C(C=C1)OCC2=CC=CC=C2)O MCULE-2114351094 [1,0,0,0,0,0|3,0,0]=4 1 B17R2.193 NC1=CC=C(C=C1O)OCC2=CC=CC=C2 MCULE-1100728027 [1,0,0,0,0,0|3,0,0]=4 2 B17R2.193 OC1=CC(=CC=C1Cl)OCC2=CC=CC=C2 MCULE-9499753071 [1,0,0,0,0,0|3,0,0]=4 3 B17R2.193 OC1=CC(=CC=C1F)OCC2=CC=CC=C2 MCULE-9043593870 [1,0,0,0,0,0|3,0,0]=4 4 B17R2.193 OC1=CC(=CC=C1I)OCC2=CC=CC=C2 MCULE-4339892441 [1,0,0,0,0,0|3,0,0]=4 5 B17R2.496 CC1=C(C=CC=C1)COC2=CC=C(C=C2)N MCULE-1586355195 [1,0,0,0,0,0|3,0,0]=4 6 B17R2.496 CC1=C(C=CC=C1)COC2=CC=C(C=C2)S MCULE-1413005902 [1,0,0,0,0,0|2,1,0]=4 7 B17R2.496 CC1=C(C=CC=C1)NCC2=CC=C(C=C2)F MCULE-5121538793 [1,0,0,0,0,0|3,0,0]=4 8 B17R2.496 CC1=CC=C(C=C1)CCC2=CC=CC=C2N MCULE-1079241631 [1,0,0,0,0,0|3,0,0]=4 9 B17R2.496 CC1=CC=C(C=C1)CCC2=CC=CC=C2N MCULE-3314339583 [1,0,0,0,0,0|3,0,0]=4 10 B17R2.496 CC1=CC=CC=C1COC2=CC=C(C=C2)Br MCULE-9001904654 [1,0,0,0,0,0|3,0,0]=4 11 B17R2.496 CC1=CC=CC=C1OCC2=CC=C(C=C2)Br MCULE-5447079555 [1,0,0,0,0,0|3,0,0]=4 12 B17R2.496 NC1=CC=CC=C1CCC2=CC=C(C=C2)Cl MCULE-4969077111 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.496 NC1=CC=CC=C1CCC2=CC=C(C=C2)Cl MCULE-6223489183 [1,0,0,0,0,0|3,0,0]=4 14 B17R2.41893 CC1=C(C=CC=C1)COC2=CC(=CC=C2)N MCULE-3804811048 [1,0,0,0,0,0|3,0,0]=4 15 B17R2.41893 CC1=C(C=CC=C1)COC2=CC=CC(=C2)S MCULE-6727784226 [1,0,0,0,0,0|2,1,0]=4 16 B17R2.41893 CC1=CC=CC=C1COC2=CC(=CC=C2)Br MCULE-1539658622 [1,0,0,0,0,0|3,0,0]=4 17 B17R2.41893 CC1=CC=CC=C1OCC2=CC=CC(=C2)Br MCULE-3452267015 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.132 NC1=CC=C(C=C1)CCC2=CC=CC=C2 MCULE-2117352765 [2,0,0,0,0,0|2,0,0]=4 19 B16R2.132 NC1=CC=C(C=C1)CCC2=CC=CC=C2 MCULE-8523933879 [2,0,0,0,0,0|2,0,0]=4 20 B16R2.132 NC1=NC=C(C=C1)CCC2=CC=CC=C2 MCULE-5242391947 [2,0,0,0,0,0|1,0,1]=4 21 B16R2.252 OC1=CC(=CC=C1)CNC2=CC=CC=C2 MCULE-7101023933 [2,0,0,0,0,0|2,0,0]=4 22 B16R2.252 OC1=CC(=CC=C1)COC2=CC=CC=C2 MCULE-7755524228 [2,0,0,0,0,0|2,0,0]=4 23 B16R2.252 OC1=CC(=CN=C1)OCC2=CC=CC=C2 MCULE-2668051367 [2,0,0,0,0,0|1,0,1]=4 24 B16R2.252 OC1=CC=CC(=C1)CCC2=CC=CC=C2 MCULE-4102666133 [2,0,0,0,0,0|1,0,0]=3 25 B16R2.252 OC1=CC=CC(=C1)OCC2=CC=CC=C2 MCULE-9951739331 [2,0,0,0,0,0|2,0,0]=4 26 B16R2.71 CC1=C(C=CC=C1)OCC2=CN=CC=C2 MCULE-7822771479 [2,0,0,0,0,0|1,0,1]=4 27 B16R2.71 CC1=CC=CC=C1NCC2=CC=CC=C2 MCULE-1919075673 [2,0,0,0,0,0|2,0,0]=4 28 B16R2.71 CC1=CC=CC=C1NCC2=CC=CC=C2 MCULE-6767817470 [2,0,0,0,0,0|2,0,0]=4 29 B16R2.71 CC1=CC=CC=C1OCC2=CC=CC=C2 MCULE-1071905739 [2,0,0,0,0,0|2,0,0]=4 30 B16R2.71 NC1=C(C=CC=C1)CCC2=CC=CC=C2 MCULE-2703492571 [2,0,0,0,0,0|2,0,0]=4 31 B16R2.71 NC1=CC=CC=C1CCC2=CC=CN=C2 MCULE-8814771270 [2,0,0,0,0,0|1,0,1]=4 32 B16R2.71 NC1=CC=CC=C1CCC2=CC=CN=C2 MCULE-9162503949 [2,0,0,0,0,0|1,0,1]=4 33 B16R2.71 OC1=C(C=CC=C1)CCC2=CC=CC=C2 MCULE-5161789512 [2,0,0,0,0,0|2,0,0]=4 34 B16R2.71 [NH3+]C1=CC=CC=C1CCC2=CC=CC=C2 MCULE-5703049195 [2,0,0,0,0,0|2,0,0]=4 35 B18R2.2562 O=CC1=CC=C(C=C1O)OCC2=CC=CC=C2 MCULE-6997251684 [1,1,0,0,0,0|2,0,0]=4 36 B18R2.38706 CC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O MCULE-9985778509 [1,1,0,0,0,0|2,0,0]=4 37 B18R2.327 COC1=C(C=CC=C1)CCC2=CC=C(C=C2)N MCULE-2287438031 [1,1,0,0,0,0|2,0,0]=4 38 B18R2.327 COC1=C(C=CC=C1)CCC2=CC=C(C=C2)N MCULE-7051005577 [1,1,0,0,0,0|2,0,0]=4 39 B18R2.4327 CC1=C(C=CC=C1)COC2=CC=C(C=C2)C=O MCULE-4721943015 [1,1,0,0,0,0|2,0,0]=4 40 B18R2.118284 COC1=CC(=CC=C1)CCC2=CC=CC=C2N MCULE-6098363608 [1,1,0,0,0,0|2,0,0]=4 41 B18R2.118284 COC1=CC(=CC=C1)CCC2=CC=CC=C2N MCULE-7999414221 [1,1,0,0,0,0|2,0,0]=4 42 B18R2.118284 COC1=CC(=CC=C1)CCC2=CC=CC=C2O MCULE-1088105571 [1,1,0,0,0,0|2,0,0]=4 43 B18R2.39530 CC1=CN(C(=O)NC1=O)CC2=C(C=CC=C2)C MCULE-2108556457 [0,1,0,0,1,0|2,0,0]=4 44 B18R3.31677 OC1=CC(=CC=C1)N2CC3=C(C2)C=CC=C3 MCULE-9077720559 [1,0,0,1,0,0|2,0,0]=4 45 B16R2.1129 CC1=CC=C(C=C1)CC2=C(C=CC=C2)C MCULE-9598026961 [1,0,0,0,1,0|2,0,0]=4 46 B16R2.11414 CC1=C(C=CC=C1)CCC2=NNC(=C2)N MCULE-6178991607 [1,0,0,0,1,0|2,0,0]=4 47 B16R2.2923 CC1=C(C=CC=C1)NC2=CC=CC(=C2)O MCULE-5343797854 [1,0,0,0,1,0|2,0,0]=4 48 B16R2.2923 CC1=CC(=CC=C1)CC2=C(C=CC=C2)C MCULE-6886534348 [1,0,0,0,1,0|2,0,0]=4 49 B16R2.2923 CC1=CC=CC=C1CC2=CC=CC(=C2)Br MCULE-2284338206 [1,0,0,0,1,0|2,0,0]=4 50 B18R2.9237 CC1=CC=C(C=N1)CCNC2=CC=CC=C2C MCULE-2532586196 [1,0,0,0,0,1|1,0,1]=4 51 B18R2.9237 CC1=CC=CC=C1CNCC2=CC=C(C=C2)F MCULE-4930430818 [1,0,0,0,0,1|2,0,0]=4 52 B18R2.9237 N(CC1=CC=C(C=C1)F)CC2=CC=CC=C2C MCULE-2434917655 [1,0,0,0,0,1|2,0,0]=4 53 B18R2.65882 CC1=C(C=CC=C1)CNCC2=CC(=CC=C2)F MCULE-8477195062 [1,0,0,0,0,1|2,0,0]=4