0 B15R2.73 C#CCN(C)C1CCC2=C1C=CC=C2 MCULE-4779673799 [0,0,0,0,0,0|0,0,0]=0 1 B15R2.73 C#CCN(C)C1CCC2=CC=CC=C12 MCULE-5619155353 [0,0,0,0,0,0|0,0,0]=0 2 B15R2.73 C#CCN(C)[C@@H]1CCC2=C1C=CC=C2 MCULE-2408816839 [0,0,0,0,0,0|0,0,0]=0 3 B15R2.73 C#CCN(C)[C@H]1CCC2=C1C=CC=C2 MCULE-1796232168 [0,0,0,0,0,0|0,0,0]=0 4 B15R2.73 N#CCC(=O)N1CCC2=CC=CC=C12 MCULE-7864399362 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.3 C#CCNC1CCC2=C1C=CC=C2 MCULE-8752389302 [1,0,0,0,0,0|0,0,0]=1 6 B14R2.3 C#CCNC1CCC2=C1C=CC=C2 MCULE-9216644373 [1,0,0,0,0,0|0,0,0]=1 7 B14R2.3 C#CCNC1CCC2=CC=CC=C12 MCULE-1364344182 [1,0,0,0,0,0|0,0,0]=1 8 B14R2.3 C#CCN[C@@H]1CCC2=C1C=CC=C2 MCULE-3183761977 [1,0,0,0,0,0|0,0,0]=1 9 B14R2.3 C#CCN[C@@H]1CCC2=C1C=CC=C2 MCULE-4385913742 [1,0,0,0,0,0|0,0,0]=1 10 B14R2.3 C#CCN[C@@H]1CCC2=CC=CC=C12 MCULE-2223950605 [1,0,0,0,0,0|0,0,0]=1 11 B14R2.3 C#CCN[C@@H]1CCC2=CC=CC=C12 MCULE-3109797187 [1,0,0,0,0,0|0,0,0]=1 12 B14R2.3 C#CCN[C@H]1CCC2=CC=CC=C12 MCULE-3064602394 [1,0,0,0,0,0|0,0,0]=1 13 B14R2.3 C#CCN[C@H]1CCC2=CC=CC=C12 MCULE-4904660878 [1,0,0,0,0,0|0,0,0]=1 14 B14R2.3 C#CCN[C@H]1CCC2=CC=CC=C12 MCULE-7684307330 [1,0,0,0,0,0|0,0,0]=1 15 B14R2.3 CCCNC1CCC2=C1C=CC=C2 MCULE-4724588936 [1,0,0,0,0,0|0,0,2]=3 16 B14R2.3 N#CCN[C@@H]1CCC2=C1C=CC=C2 MCULE-3956914112 [1,0,0,0,0,0|1,0,0]=2 17 B14R2.3 OCCNC1CCC2=C1C=CC=C2 MCULE-4499715858 [1,0,0,0,0,0|1,0,1]=3 18 B14R2.95 CC(CN)N1CCC2=C1C=CC=C2 MCULE-1875784188 [1,0,0,0,0,0|3,0,0]=4 19 B14R1.520 CN(CCO)CCOC1=CC=CC=C1 MCULE-7927323008 [0,0,1,0,0,0|2,0,1]=4 20 B14R1.520 C[C@H](CC#N)COCC1=CC=CC=C1 MCULE-7314745863 [0,0,1,0,0,0|3,0,0]=4 21 B14R1.604 CCC(C1=CC=CC=C1)N(C)CCN MCULE-3263167279 [0,0,1,0,0,0|1,0,1]=3 22 B14R1.604 CCC(C1=CC=CC=C1)N(C)CCO MCULE-8909948166 [0,0,1,0,0,0|1,0,1]=3 23 B14R1.965 COC1=CC=CC=C1CN(C)CCN MCULE-6224735052 [0,0,1,0,0,0|2,0,1]=4 24 B14R1.965 COC1=CC=CC=C1CN(C)CCO MCULE-7463391863 [0,0,1,0,0,0|2,0,1]=4 25 B16R2.5 COCC(C)NC1CCC2=C1C=CC=C2 MCULE-5072345495 [0,0,0,0,0,1|2,0,1]=4 26 B16R2.5 COCC(C)NC1CCC2=C1C=CC=C2 MCULE-7148150794 [0,0,0,0,0,1|2,0,1]=4 27 B16R2.767 C#CCN(C)C1CCC2=CC=CC=C2C1 MCULE-4798706619 [0,0,0,0,0,1|0,0,0]=1 28 B16R2.767 C#CCN(C)C1CCC2=CC=CC=C2C1 MCULE-7210512544 [0,0,0,0,0,1|0,0,0]=1 29 B13R1.28 C#CCCCOCC1=CC=CC=C1 MCULE-8536172131 [1,0,1,0,0,0|2,0,0]=4 30 B13R1.28 C=CCNCCCC1=CC=CC=C1 MCULE-4949266773 [1,0,1,0,0,0|0,0,2]=4 31 B13R1.28 C=CCNCCCC1=CC=CC=C1 MCULE-7553606269 [1,0,1,0,0,0|0,0,2]=4 32 B13R1.28 CCCNCCCC1=CC=CC=C1 MCULE-3563172023 [1,0,1,0,0,0|0,0,2]=4 33 B13R1.28 CCCNCCCC1=CC=CC=C1 MCULE-7093598896 [1,0,1,0,0,0|0,0,2]=4 34 B13R1.26 CCC(NCCO)C1=CC=CC=C1 MCULE-8089857179 [1,0,1,0,0,0|1,0,1]=4 35 B13R1.26 CCCNC(CC)C1=CC=CC=C1 MCULE-6194463648 [1,0,1,0,0,0|0,0,2]=4 36 B13R1.470 CC1=CC=CC=C1CN(C)CCN MCULE-5849806549 [1,0,1,0,0,0|1,0,1]=4 37 B13R1.470 CC1=CC=CC=C1CN(C)CCO MCULE-2690970241 [1,0,1,0,0,0|1,0,1]=4 38 B13R1.674 C#CCNC(C)C1=C(C=CC=C1)Br MCULE-4050986202 [1,0,1,0,0,0|1,0,0]=3 39 B13R1.674 C#CCNC(C)C1=C(C=CC=C1)Br MCULE-9547155815 [1,0,1,0,0,0|1,0,0]=3 40 B13R1.674 C#CCNC(C)C1=CC=CC=C1F MCULE-2709392528 [1,0,1,0,0,0|1,0,0]=3 41 B13R1.674 C#CCNC(C)C1=CC=CC=C1F MCULE-9370604647 [1,0,1,0,0,0|1,0,0]=3 42 B13R2.1 BrCCC1CCC2=C1C=CC=C2 MCULE-2120793501 [2,0,0,0,0,0|1,0,1]=4 43 B13R2.1 CCNC1CCC2=C1C=CC=C2 MCULE-4672815082 [2,0,0,0,0,0|0,0,1]=3 44 B13R2.1 CCNC1CCC2=C1C=CC=C2 MCULE-6680937066 [2,0,0,0,0,0|0,0,1]=3 45 B13R2.1 CNCC1CCC2=C1C=CC=C2 MCULE-7665643649 [2,0,0,0,0,0|1,0,1]=4 46 B13R2.1 N#CCC1COC2=C1C=CC=C2 MCULE-4513692671 [2,0,0,0,0,0|2,0,0]=4 47 B13R2.1 NCCC1CCC2=C1C=CC=C2 MCULE-1844742008 [2,0,0,0,0,0|1,0,1]=4 48 B13R2.1 OCCC1CCC2=C1C=CC=C2 MCULE-9855112585 [2,0,0,0,0,0|1,0,1]=4 49 B13R2.72 CC(C)C1CNC2=C1C=CC=C2 MCULE-8540309540 [2,0,0,0,0,0|2,0,0]=4 50 B15R1.1350 CCC(C1=CC=CC=C1)N(C)CC(=O)O MCULE-6571605831 [0,1,1,0,0,0|1,0,1]=4 51 B15R2.5 OCCCNC1CCC2=C1C=CC=C2 MCULE-5417216011 [1,1,0,0,0,0|0,0,2]=4 52 B15R2.31 CN1CCNC(C1)CC2=CC=CC=C2 MCULE-7096007232 [0,0,1,1,0,0|1,0,1]=4 53 B15R2.31 CN1CCNC(C1)CC2=CC=CC=C2 MCULE-9473206212 [0,0,1,1,0,0|1,0,1]=4 54 B15R2.31 CN1CCN[C@@H](C1)CC2=CC=CC=C2 MCULE-7996784882 [0,0,1,1,0,0|1,0,1]=4 55 B15R2.31 CN1CCN[C@@H](C1)CC2=CC=CC=C2 MCULE-8523388301 [0,0,1,1,0,0|1,0,1]=4 56 B15R2.31 CN1CCN[C@@H](C1)CC2=CC=CC=C2 MCULE-9013556329 [0,0,1,1,0,0|1,0,1]=4 57 B15R2.31 CN1CCN[C@H](C1)CC2=CC=CC=C2 MCULE-1994606386 [0,0,1,1,0,0|1,0,1]=4 58 B15R2.31 CN1CCN[C@H](C1)CC2=CC=CC=C2 MCULE-2222737729 [0,0,1,1,0,0|1,0,1]=4 59 B15R2.31 CN1CCN[C@H](C1)CC2=CC=CC=C2 MCULE-2272703179 [0,0,1,1,0,0|1,0,1]=4 60 B15R2.31 CN1CCN[C@H](C1)CC2=CC=CC=C2 MCULE-6469865199 [0,0,1,1,0,0|1,0,1]=4 61 B15R2.66 C=CCN1CCC(C1)C2=CC=CC=C2 MCULE-1021420388 [0,0,1,1,0,0|0,0,2]=4 62 B15R2.66 N#CCN1CCC(C1)C2=CC=CC=C2 MCULE-7332559513 [0,0,1,1,0,0|1,0,0]=3 63 B15R2.66 NCCN1CCC(C1)C2=CC=CC=C2 MCULE-3588857377 [0,0,1,1,0,0|1,0,1]=4 64 B15R2.617 OC1CN(C1)CCCC2=CC=CC=C2 MCULE-8065533295 [0,0,1,1,0,0|1,0,1]=4 65 B15R2.1342 CN(CCN)C1CC1C2=CC=CC=C2 MCULE-4900379364 [0,0,1,1,0,0|1,0,1]=4 66 B15R2.72 NCCN1CCCC1C2=CC=CC=C2 MCULE-5252215893 [0,0,1,1,0,0|1,0,1]=4 67 B15R2.72 OCCN1CCCC1C2=CC=CC=C2 MCULE-3283867608 [0,0,1,1,0,0|1,0,1]=4 68 B15R3.1737 C1=CC2=C(C=C1)C(CC2)NC3CC3 MCULE-5002590905 [1,0,0,1,0,0|0,0,2]=4 69 B17R3.18262 CN(C1CC1)C2CCC3=CC=CC=C3C2 MCULE-2118329400 [0,0,0,1,0,1|0,0,2]=4 70 B17R3.18262 CN(C1CC1)C2CCC3=CC=CC=C3C2 MCULE-3474943381 [0,0,0,1,0,1|0,0,2]=4 71 B17R3.2679 C1=CC=C2C(=C1)CNCC2N3CCCC3 MCULE-4943836949 [0,0,0,1,0,1|0,0,2]=4 72 B17R3.8 C1=CC2=C(C=C1)C(CC2)N3CCNCC3 MCULE-4523794400 [0,1,0,1,0,0|0,0,2]=4 73 B13R1.42 CN(CCN)CCC1=CC=CC=C1 MCULE-6664182744 [0,0,1,0,1,0|1,0,1]=4 74 B15R2.352 C#CCNC1CCC2=C(C1)C=CC=C2 MCULE-4996825173 [1,0,0,0,0,1|0,0,0]=2 75 B15R2.352 C#CCNC1CCC2=CC=CC=C2C1 MCULE-5269486001 [1,0,0,0,0,1|0,0,0]=2 76 B15R2.18471 C#CCNC1CCCC2=C1C=CC=C2 MCULE-6293601109 [1,0,0,0,0,1|0,0,0]=2 77 B15R2.18471 C#CCNC1CCCC2=C1C=CC=C2 MCULE-8673631741 [1,0,0,0,0,1|0,0,0]=2 78 B15R2.18471 OCCNC1CCCC2=C1C=CC=C2 MCULE-2900120569 [1,0,0,0,0,1|1,0,1]=4