0 B14R1.60 C#CCN(C)C(C)CC1=CC=CC=C1 MCULE-2022038565 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.60 C#CCN(C)C(C)CC1=CC=CC=C1 MCULE-3188554308 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.60 C#CCN(C)C(C)CC1=CC=CN=C1 MCULE-3956627730 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.60 C#CCN(C)[C@@H](C)CC1=CC=CC=C1 MCULE-2742943549 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.60 C#CCN(C)[C@@H](C)CC1=CC=CC=C1 MCULE-8170592065 [0,0,0,0,0,0|0,0,0]=0 5 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 MCULE-1963825720 [0,0,0,0,0,0|0,0,0]=0 6 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 MCULE-6377643584 [0,0,0,0,0,0|0,0,0]=0 7 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 MCULE-6683314612 [0,0,0,0,0,0|0,0,0]=0 8 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 MCULE-8639879864 [0,0,0,0,0,0|0,0,0]=0 9 B14R1.60 CC(CCN)N(C)CC1=CC=CC=C1 MCULE-3203087570 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.60 CN(CC1=CC=CC=C1)C(=O)CC#N MCULE-9388040185 [0,0,0,0,0,0|4,0,0]=4 11 B14R1.60 CN(CCO)C(=O)CC1=CC=CC=C1 MCULE-1022426218 [0,0,0,0,0,0|2,0,2]=4 12 B13R1.42 CC(=CC#N)CCC1=CC=CC=C1 MCULE-3702105589 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.42 CC(CC=O)CCC1=CC=CC=C1 MCULE-2403202050 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.42 CC(CCO)CCC1=CC=CC=C1 MCULE-4902819949 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.42 CN(CCN)CCC1=CC=CC=C1 MCULE-6664182744 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.42 N#CCS(=O)CCC1=CC=CC=C1 MCULE-8982631562 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.44 C#CCCN(C)CC1=CC=CC=C1 MCULE-5512783296 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.44 C#CCNC(=O)CC1=CC=CC=C1 MCULE-6252681137 [1,0,0,0,0,0|1,0,1]=3 19 B13R1.44 C#CCNC(=O)NC1=CC=CC=C1 MCULE-7077295972 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.44 C#CCNC(C)CC1=CC=CC=C1 MCULE-1120354174 [1,0,0,0,0,0|0,0,0]=1 21 B13R1.44 C#CCN[C@H](C)CC1=CC=CC=C1 MCULE-2848627886 [1,0,0,0,0,0|0,0,0]=1 22 B13R1.44 C#CCN[C@H](C)CC1=CC=CC=C1 MCULE-7891233976 [1,0,0,0,0,0|0,0,0]=1 23 B13R1.44 CCCNC(C)CC1=CC=CC=C1 MCULE-8664334660 [1,0,0,0,0,0|0,0,2]=3 24 B13R1.44 CCCNC(C)CC1=CC=CC=C1 MCULE-8817958524 [1,0,0,0,0,0|0,0,2]=3 25 B13R1.44 CN(CCC#N)CC1=CC=CC=C1 MCULE-5807751349 [1,0,0,0,0,0|3,0,0]=4 26 B13R1.44 CN(CCC#N)CC1=CC=CC=C1 MCULE-8251854768 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.44 N#CCNC(=O)CC1=CC=CC=C1 MCULE-2482334914 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.135 CC(CC1=CC=CC=C1)N(C)C=O MCULE-5844710006 [1,0,0,0,0,0|1,0,1]=3 29 B13R1.135 CC(CN)N(C)CC1=CC=CC=C1 MCULE-7228382642 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.135 CCC(=O)C(C)CC1=CC=CC=C1 MCULE-6634226495 [1,0,0,0,0,0|2,0,1]=4 31 B15R1.48 C#CCN(C)C(C)CC1=CC=C(C=C1)F MCULE-2806364046 [0,1,0,0,0,0|0,0,0]=1 32 B15R1.48 C#CCN(C)C(C)CC1=CC=C(C=C1)F MCULE-3566148027 [0,1,0,0,0,0|0,0,0]=1 33 B15R1.578 CC(C(O)C1=CC=CC=C1)N(C)CC#N MCULE-1256512482 [0,1,0,0,0,0|1,0,0]=2 34 B15R1.578 CC(C(O)C1=CC=CC=C1)[NH+](C)CC#N MCULE-3933923086 [0,1,0,0,0,0|1,0,1]=3 35 B15R1.578 C[C@H]([C@H](O)C1=CC=CC=C1)N(C)CC#N MCULE-4564251800 [0,1,0,0,0,0|1,0,0]=2 36 B15R1.578 [C@@H](C)(N(C)CCO)[C@H](O)C1=CC=CC=C1 MCULE-4034611808 [0,1,0,0,0,0|1,0,1]=3 37 B15R1.578 [C@@H](C)(N(C)CCO)[C@H](O)C1=CC=CC=C1 MCULE-8529226962 [0,1,0,0,0,0|1,0,1]=3 38 B15R2.32 CC1C(OCCN1C)C2=CC=CC=C2 MCULE-2105311723 [0,0,0,1,0,0|1,0,1]=3 39 B15R2.32 CC1C(OCCN1C)C2=CC=CC=C2 MCULE-4434944375 [0,0,0,1,0,0|1,0,1]=3 40 B15R2.38 CN1CCNCC1CC2=CC=CC=C2 MCULE-1570531676 [0,0,0,1,0,0|1,0,1]=3 41 B15R2.38 CN1CCNCC1CC2=CC=CC=C2 MCULE-4056485621 [0,0,0,1,0,0|1,0,1]=3 42 B15R2.1342 CN(CCN)C1CC1C2=CC=CC=C2 MCULE-4900379364 [0,0,0,1,0,0|1,0,1]=3 43 B13R1.47 CC(C1=NC=CC=C1)N(C)CCN MCULE-6356991081 [0,0,0,0,1,0|2,0,1]=4 44 B13R1.47 CC(C1=NC=CC=C1)N(C)CCO MCULE-6824594613 [0,0,0,0,1,0|2,0,1]=4 45 B13R1.47 CN(CC#N)C(=O)C1=CC=CC=C1 MCULE-3316771402 [0,0,0,0,1,0|2,0,1]=4 46 B12R1.8 C#CCCCCC1=CC=CC=C1 MCULE-8434689989 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.8 C#CCCOCC1=CC=CC=C1 MCULE-9928587469 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.8 C#CCNCCC1=CC=CC=C1 MCULE-3304911272 [2,0,0,0,0,0|0,0,0]=2 49 B12R1.8 C#CCNCCC1=CC=CC=C1 MCULE-5510429225 [2,0,0,0,0,0|0,0,0]=2 50 B12R1.8 C#CCNOCC1=CC=CC=C1 MCULE-8553187739 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.8 C=CCNCCC1=CC=CC=C1 MCULE-2958799596 [2,0,0,0,0,0|0,0,2]=4 52 B12R1.8 C=CCNCCC1=CC=CC=C1 MCULE-5942102421 [2,0,0,0,0,0|0,0,2]=4 53 B12R1.8 CCCNCCC1=CC=CC=C1 MCULE-3633023803 [2,0,0,0,0,0|0,0,2]=4 54 B12R1.8 CCCNCCC1=CC=CC=C1 MCULE-7870883456 [2,0,0,0,0,0|0,0,2]=4 55 B12R1.8 N#CCSCCC1=CC=CC=C1 MCULE-9676685367 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.8 NCCNCCC1=CC=CC=C1 MCULE-3632090498 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.8 NCCNCCC1=CC=CC=C1 MCULE-4054650445 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.8 OCCNCCC1=CC=CC=C1 MCULE-5313727578 [2,0,0,0,0,0|1,0,1]=4 59 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 MCULE-8515335199 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.27 C#CC(O)CCC1=CC=CC=C1 MCULE-5755162407 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.27 C#C[C@H](O)CCC1=CC=CC=C1 MCULE-8377014160 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.27 CC(CO)CCC1=CC=CC=C1 MCULE-6469270838 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.32 C#CCC(N)CC1=CC=CC=C1 MCULE-3112810100 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.32 C#CCC(N)CC1=CC=CC=C1 MCULE-6074442642 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.32 C#CCC(O)CC1=CC=CC=C1 MCULE-1220741187 [2,0,0,0,0,0|1,0,0]=3 66 B12R1.32 C#CCN(C)CC1=CC=CC=C1 MCULE-3540521287 [2,0,0,0,0,0|1,0,0]=3 67 B12R1.32 C#CCN(C)CC1=CC=CC=C1 MCULE-9689491047 [2,0,0,0,0,0|1,0,0]=3 68 B12R1.32 C=CCC(C)CC1=CC=CC=C1 MCULE-2405722964 [2,0,0,0,0,0|0,0,2]=4 69 B12R1.32 CC(CC1=CC=CC=C1)NC=O MCULE-4588183843 [2,0,0,0,0,0|1,0,1]=4 70 B12R1.32 CCNC(C)CC1=CC=CC=C1 MCULE-2397384428 [2,0,0,0,0,0|0,0,1]=3 71 B12R1.32 CCNC(C)CC1=CC=CC=C1 MCULE-9107745935 [2,0,0,0,0,0|0,0,1]=3 72 B12R1.32 CN(CC#N)CC1=CC=CC=C1 MCULE-7931747407 [2,0,0,0,0,0|2,0,0]=4 73 B12R1.32 CNCC(C)CC1=CC=CC=C1 MCULE-2092491375 [2,0,0,0,0,0|1,0,1]=4 74 B12R1.32 CONC(C)CC1=CC=CC=C1 MCULE-9834036598 [2,0,0,0,0,0|1,0,1]=4 75 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 MCULE-9879731396 [2,0,0,0,0,0|2,0,0]=4 76 B12R1.43 CC(C)C(C)NC1=CC=CC=C1 MCULE-6928703842 [2,0,0,0,0,0|2,0,0]=4 77 B12R1.43 CC(C)C(O)CC1=CC=CC=C1 MCULE-4799399046 [2,0,0,0,0,0|2,0,0]=4 78 B12R1.43 CC(CC1=CC=CC=C1)N(C)C MCULE-1731456015 [2,0,0,0,0,0|0,0,0]=2 79 B12R1.43 CC(CC1=CC=CC=C1)N(C)C MCULE-7532670922 [2,0,0,0,0,0|0,0,0]=2 80 B12R1.43 CC(CC1=CC=CC=C1)N(C)N MCULE-1682488706 [2,0,0,0,0,0|1,0,0]=3 81 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 MCULE-7767291513 [2,0,0,0,0,0|1,0,1]=4 82 B12R1.43 CN(C)C(=S)CC1=CC=CC=C1 MCULE-4499331557 [2,0,0,0,0,0|1,0,1]=4 83 B12R1.43 C[C@@H](CC1=CC=CC=C1)N(C)C MCULE-8014139038 [2,0,0,0,0,0|0,0,0]=2 84 B12R1.43 C[C@@H](CC1=CC=CC=C1)N(C)C MCULE-9325166774 [2,0,0,0,0,0|0,0,0]=2 85 B14R1.29 C#CCN(C)CC(=C)C1=CC=CC=C1 MCULE-5108051993 [1,1,0,0,0,0|0,0,1]=3 86 B14R1.29 C#CCN(C)CC(=C)C1=CC=CC=C1 MCULE-8571028682 [1,1,0,0,0,0|0,0,1]=3 87 B14R1.29 CN(CCCl)CC(Cl)C1=CC=CC=C1 MCULE-5629781867 [1,1,0,0,0,0|1,0,1]=4 88 B14R1.156 C#CCNC(=O)CCC1=CC=CC=C1 MCULE-1046200342 [1,1,0,0,0,0|2,0,0]=4 89 B14R1.156 CC(CCC1=CC=CC=C1)NCC#N MCULE-4007809501 [1,1,0,0,0,0|2,0,0]=4 90 B14R1.156 CC(CCC1=CC=CC=C1)NCC#N MCULE-6039802038 [1,1,0,0,0,0|2,0,0]=4 91 B14R1.156 CN(CCCN)CCC1=CC=CC=C1 MCULE-2660371009 [1,1,0,0,0,0|0,0,2]=4 92 B14R1.502 CCCN(C)CCC1=CC=C(C=C1)N MCULE-5667025473 [1,1,0,0,0,0|0,0,2]=4 93 B14R1.818 CN(CCC1=CC=CC=C1)CC(=O)O MCULE-6526229546 [1,1,0,0,0,0|1,0,1]=4 94 B14R1.818 CN(CCC1=CC=CC=C1)CC(=O)O MCULE-7638425892 [1,1,0,0,0,0|1,0,1]=4 95 B14R1.6829 C#CCC(C)(C)OCC1=CC=CC=C1 MCULE-8000127572 [1,1,0,0,0,0|2,0,0]=4 96 B14R1.34 C#CCNC(C)CC1=CC(=CC=C1)F MCULE-1856586070 [1,1,0,0,0,0|0,0,0]=2 97 B14R1.158 CC(CC1=CC=CC=C1)NCCCCl MCULE-5606187384 [1,1,0,0,0,0|0,0,2]=4 98 B14R1.158 CC(CC1=CC=CC=C1)NCCCCl MCULE-5675500300 [1,1,0,0,0,0|0,0,2]=4 99 B14R1.158 CCCCNC(C)CC1=CC=CC=C1 MCULE-2384394281 [1,1,0,0,0,0|0,0,2]=4 100 B14R1.158 CCCCNC(C)CC1=CC=CC=C1 MCULE-8644209849 [1,1,0,0,0,0|0,0,2]=4 101 B14R1.166 C#CCNC(C)C(O)C1=CC=CC=C1 MCULE-6346645941 [1,1,0,0,0,0|0,0,0]=2 102 B14R1.166 C#CCNC(C)C(O)C1=CC=CC=C1 MCULE-9644782174 [1,1,0,0,0,0|0,0,0]=2 103 B14R1.166 CC(NCCO)C(O)C1=CC=CC=C1 MCULE-2868820721 [1,1,0,0,0,0|1,0,1]=4 104 B14R1.166 CC(NCCO)C(O)C1=CC=CC=C1 MCULE-7391381947 [1,1,0,0,0,0|1,0,1]=4 105 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O MCULE-1968549151 [1,1,0,0,0,0|1,0,1]=4 106 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O MCULE-5996302278 [1,1,0,0,0,0|1,0,1]=4 107 B14R1.85 CC(C(O)C1=CC=CC=C1)N(C)C=O MCULE-3032571951 [1,1,0,0,0,0|1,0,1]=4 108 B14R1.85 CCN(C)C(C)C(O)C1=CC=CC=C1 MCULE-7117362731 [1,1,0,0,0,0|0,0,1]=3 109 B14R1.85 CCN(C)C(C)C(O)C1=CC=CC=C1 MCULE-8617221950 [1,1,0,0,0,0|0,0,1]=3 110 B14R1.85 C[C@@H]([C@@H](O)C1=CC=CC=C1)N(C)N=O MCULE-3250115312 [1,1,0,0,0,0|2,0,0]=4 111 B14R1.425 CC(=O)N(C)C(C)CC1=CC=CC=C1 MCULE-9190502257 [1,1,0,0,0,0|0,0,2]=4 112 B14R1.35 CC(C1=CC=C(C=C1)F)N(C)CCN MCULE-8334726116 [0,1,0,0,1,0|1,0,1]=4 113 B14R1.35 CC(C1=CC=C(C=C1)F)N(C)CCO MCULE-1382071056 [0,1,0,0,1,0|1,0,1]=4 114 B14R1.36 CC(C1=CC(=CC=C1)Cl)N(C)CCN MCULE-9705293533 [0,1,0,0,1,0|1,0,1]=4 115 B14R1.36 CC(C1=CC=CC(=C1)Cl)N(C)CCO MCULE-8670476540 [0,1,0,0,1,0|1,0,1]=4 116 B14R1.604 CCC(C1=CC=CC=C1)N(C)CCN MCULE-3263167279 [0,1,0,0,1,0|1,0,1]=4 117 B14R1.604 CCC(C1=CC=CC=C1)N(C)CCO MCULE-8909948166 [0,1,0,0,1,0|1,0,1]=4 118 B16R1.1244 CCCCN(C)[C@H](C)[C@H](O)C1=CC=CC=C1 MCULE-3511890040 [0,2,0,0,0,0|0,0,2]=4 119 B14R2.21 CN1CC=CC(C1)C2=CC=CC=C2 MCULE-4744731020 [1,0,0,1,0,0|0,0,2]=4 120 B14R2.21 CN1CCNC(C1)C2=CC=CC=C2 MCULE-2167407320 [1,0,0,1,0,0|1,0,1]=4 121 B14R2.21 CN1CCN[C@H](C1)C2=CC=CC=C2 MCULE-6541988493 [1,0,0,1,0,0|1,0,1]=4 122 B14R2.21 CN1CCOC(C1)C2=CC=CC=C2 MCULE-7523668090 [1,0,0,1,0,0|1,0,1]=4 123 B14R2.101 C1=CC=C(C=C1)CCN2CCCC2 MCULE-1238637041 [1,0,0,1,0,0|0,0,2]=4 124 B14R2.112 NCCN1CCC2=CC=CC=C2C1 MCULE-1478368863 [1,0,0,1,0,0|1,0,1]=4 125 B14R2.112 NCCN1CCC2=CC=CC=C2C1 MCULE-4676346334 [1,0,0,1,0,0|1,0,1]=4 126 B14R2.112 OCCN1CCC2=CC=CC=C2C1 MCULE-1156763227 [1,0,0,1,0,0|1,0,1]=4 127 B14R2.598 CN1CC(C(C1)C2=CC=CC=C2)N MCULE-3756161514 [1,0,0,1,0,0|1,0,1]=4 128 B14R2.6 C1=CC=C(C=C1)CC2CCCCN2 MCULE-1625498779 [1,0,0,1,0,0|0,0,2]=4 129 B14R2.6 C1=CC=C(C=C1)CC2CCCCN2 MCULE-5585146889 [1,0,0,1,0,0|0,0,2]=4 130 B14R2.6 C1=CC=C(C=C1)CC2CNCCN2 MCULE-5052229247 [1,0,0,1,0,0|1,0,1]=4 131 B14R2.6 C1=CC=C(C=C1)CC2CNCCN2 MCULE-9323888933 [1,0,0,1,0,0|1,0,1]=4 132 B14R2.6 C1=CC=C(C=C1)CC2COCCN2 MCULE-8984498487 [1,0,0,1,0,0|1,0,1]=4 133 B14R2.6 C1=CC=C(C=C1)CC2COCCN2 MCULE-9963567571 [1,0,0,1,0,0|1,0,1]=4 134 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CCCCN2 MCULE-3065211798 [1,0,0,1,0,0|0,0,2]=4 135 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CCCCN2 MCULE-5431926276 [1,0,0,1,0,0|0,0,2]=4 136 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CCCCN2 MCULE-6858008776 [1,0,0,1,0,0|0,0,2]=4 137 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CNCCN2 MCULE-1554817266 [1,0,0,1,0,0|1,0,1]=4 138 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CNCCN2 MCULE-2675482150 [1,0,0,1,0,0|1,0,1]=4 139 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CNCCN2 MCULE-8484457018 [1,0,0,1,0,0|1,0,1]=4 140 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CNCCN2 MCULE-8941118132 [1,0,0,1,0,0|1,0,1]=4 141 B14R2.6 C1=CC=C(C=C1)C[C@@H]2COCCN2 MCULE-1037180970 [1,0,0,1,0,0|1,0,1]=4 142 B14R2.6 C1=CC=C(C=C1)C[C@@H]2COCCN2 MCULE-1323912072 [1,0,0,1,0,0|1,0,1]=4 143 B14R2.6 C1=CC=C(C=C1)C[C@H]2CCCCN2 MCULE-1446561355 [1,0,0,1,0,0|0,0,2]=4 144 B14R2.6 C1=CC=C(C=C1)C[C@H]2CCCCN2 MCULE-6132636905 [1,0,0,1,0,0|0,0,2]=4 145 B14R2.6 C1=CC=C(C=C1)C[C@H]2CCCCN2 MCULE-9494223340 [1,0,0,1,0,0|0,0,2]=4 146 B14R2.6 C1=CC=C(C=C1)C[C@H]2CNCCN2 MCULE-3319047948 [1,0,0,1,0,0|1,0,1]=4 147 B14R2.6 C1=CC=C(C=C1)C[C@H]2CNCCN2 MCULE-4807766464 [1,0,0,1,0,0|1,0,1]=4 148 B14R2.6 C1=CC=C(C=C1)C[C@H]2CNCCN2 MCULE-5257402979 [1,0,0,1,0,0|1,0,1]=4 149 B14R2.6 C1=CC=C(C=C1)C[C@H]2CNCCN2 MCULE-5997120765 [1,0,0,1,0,0|1,0,1]=4 150 B14R2.6 C1=CC=C(C=C1)C[C@H]2CNCCN2 MCULE-8405386714 [1,0,0,1,0,0|1,0,1]=4 151 B14R2.6 C1=CC=C(C=C1)C[C@H]2COCCN2 MCULE-5612470397 [1,0,0,1,0,0|1,0,1]=4 152 B14R2.6 C1=CC=C(C=C1)C[C@H]2COCCN2 MCULE-8584925399 [1,0,0,1,0,0|1,0,1]=4 153 B14R2.24 CC1NCCOC1C2=CC=CC=C2 MCULE-3684334876 [1,0,0,1,0,0|1,0,1]=4 154 B14R2.24 C[C@@H]1NCCOC1C2=CC=CC=C2 MCULE-4218904943 [1,0,0,1,0,0|1,0,1]=4 155 B14R2.24 C[C@@H]1NCCOC1C2=CC=CC=C2 MCULE-7762593225 [1,0,0,1,0,0|1,0,1]=4 156 B14R2.67 CCCNC1CC2=CC=CC=C2C1 MCULE-3716233043 [1,0,0,1,0,0|0,0,2]=4 157 B14R2.67 CCCNC1CC2=CC=CC=C2C1 MCULE-7835794295 [1,0,0,1,0,0|0,0,2]=4 158 B14R2.411 CC1(CCCN1)CC2=CC=CC=C2 MCULE-5537286486 [1,0,0,1,0,0|0,0,2]=4 159 B14R2.411 CC1(CCCN1)CC2=CC=CC=C2 MCULE-8253201059 [1,0,0,1,0,0|0,0,2]=4 160 B14R2.517 C#CCN1C(=NC2=C1C=CC=C2)C MCULE-8171420523 [1,0,0,1,0,0|1,0,1]=4 161 B14R2.517 CC1CC2=C(N1CCN)C=CC=C2 MCULE-7117091447 [1,0,0,1,0,0|1,0,1]=4 162 B14R2.517 CC1CC2=C(N1CCO)C=CC=C2 MCULE-9635156798 [1,0,0,1,0,0|1,0,1]=4 163 B14R2.114 CC(C1=CC=CC=C1)N2CCCC2 MCULE-6923331100 [0,0,0,1,1,0|0,0,2]=4 164 B14R2.422 CC(C1=CC=CC=C1)N2CC(C2)O MCULE-3122149108 [0,0,0,1,1,0|1,0,1]=4 165 B14R2.422 CC(C1=CC=CC=C1)N2CC(C2)O MCULE-7279322334 [0,0,0,1,1,0|1,0,1]=4 166 B16R2.71 CN1CCCCC1CCC2=CC=CC=C2 MCULE-2662958332 [0,0,0,1,0,1|0,0,2]=4 167 B16R2.767 C#CCN(C)C1CCC2=CC=CC=C2C1 MCULE-4798706619 [0,0,0,1,0,1|0,0,0]=2 168 B16R2.767 C#CCN(C)C1CCC2=CC=CC=C2C1 MCULE-7210512544 [0,0,0,1,0,1|0,0,0]=2 169 B16R2.6164 CC1C(OC(=O)CN1C)C2=CC=CC=C2 MCULE-1682538542 [0,1,0,1,0,0|1,0,1]=4 170 B16R2.2114 CNCCN(C)C1CC1C2=CC=CC=C2 MCULE-4208389801 [0,1,0,1,0,0|0,0,2]=4 171 B16R2.6780 CC(C(O)C1=CC=CC=C1)N2CCCC2 MCULE-5658804444 [0,1,0,1,0,0|0,0,2]=4 172 B16R2.6780 C[C@@H]([C@H](O)C1=CC=CC=C1)N2CCCC2 MCULE-1036425325 [0,1,0,1,0,0|0,0,2]=4 173 B16R2.6780 C[C@@H]([C@H](O)C1=CC=CC=C1)N2CCCC2 MCULE-6243332278 [0,1,0,1,0,0|0,0,2]=4 174 B16R2.6780 C[C@H]([C@@H](O)C1=CC=CC=C1)N2CCCC2 MCULE-8867822678 [0,1,0,1,0,0|0,0,2]=4 175 B16R2.6780 C[C@H]([C@@H](O)C1=CC=CC=C1)N2CCCC2 MCULE-9665987812 [0,1,0,1,0,0|0,0,2]=4 176 B16R2.6780 [C@H](O)(C1=CC=CC=C1)[C@@H](C)N2CCCC2 MCULE-4405461121 [0,1,0,1,0,0|0,0,2]=4 177 B16R2.101 NCC(CC1=CC=CC=C1)N2CCCC2 MCULE-6213949443 [0,1,0,1,0,0|0,0,2]=4 178 B16R2.101 OCC(CC1=CC=CC=C1)N2CCCC2 MCULE-4495590565 [0,1,0,1,0,0|0,0,2]=4 179 B16R2.101 OC[C@@H](CC1=CC=CC=C1)N2CCCC2 MCULE-9544601998 [0,1,0,1,0,0|0,0,2]=4 180 B16R3.32875 OC1CN(C1)C2CC3=C(C2)C=CC=C3 MCULE-3890505536 [0,0,0,2,0,0|1,0,1]=4 181 B12R1.30 C#CCCC(N)C1=CC=CC=C1 MCULE-8505511239 [1,0,0,0,1,0|2,0,0]=4 182 B12R1.30 C#CCCC(O)C1=CC=CC=C1 MCULE-1591777155 [1,0,0,0,1,0|2,0,0]=4 183 B12R1.30 C#CCNC(=O)C1=CC=CC=C1 MCULE-7164514311 [1,0,0,0,1,0|1,0,1]=4 184 B12R1.30 C#CCNC(C)C1=CC=CC=C1 MCULE-9257705460 [1,0,0,0,1,0|0,0,0]=2 185 B12R1.30 C(C)(NCC=C)C1=CC=CC=C1 MCULE-3839062268 [1,0,0,0,1,0|0,0,2]=4 186 B12R1.30 C=CCN[C@@H](C)C1=CC=CC=C1 MCULE-4788869412 [1,0,0,0,1,0|0,0,2]=4 187 B12R1.30 C=CCN[C@H](C)C1=CC=CC=C1 MCULE-3136249123 [1,0,0,0,1,0|0,0,2]=4 188 B12R1.30 CC(NCCCl)C1=CC=CC=C1 MCULE-2342848215 [1,0,0,0,1,0|1,0,1]=4 189 B12R1.30 CC(NCCCl)C1=CC=CC=C1 MCULE-5885988699 [1,0,0,0,1,0|1,0,1]=4 190 B12R1.30 CC(NCCN)C1=CC=CC=C1 MCULE-2804734149 [1,0,0,0,1,0|1,0,1]=4 191 B12R1.30 CC(NCCO)C1=CC=CC=C1 MCULE-2672517245 [1,0,0,0,1,0|1,0,1]=4 192 B12R1.30 CC(NCCO)C1=CC=CC=C1 MCULE-6045242627 [1,0,0,0,1,0|1,0,1]=4 193 B12R1.30 CCCNC(C)C1=CC=CC=C1 MCULE-6320883219 [1,0,0,0,1,0|0,0,2]=4 194 B12R1.30 CCCNC(C)C1=CC=CC=C1 MCULE-9965892271 [1,0,0,0,1,0|0,0,2]=4 195 B12R1.30 C[C@@H](NCCO)C1=CC=CC=C1 MCULE-2129664411 [1,0,0,0,1,0|1,0,1]=4 196 B12R1.30 C[C@@H](NCCO)C1=CC=CC=C1 MCULE-7330953105 [1,0,0,0,1,0|1,0,1]=4 197 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 MCULE-1337308037 [1,0,0,0,1,0|1,0,1]=4 198 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 MCULE-9436913854 [1,0,0,0,1,0|1,0,1]=4 199 B14R1.520 CN(CCO)CCOC1=CC=CC=C1 MCULE-7927323008 [1,0,0,0,0,1|1,0,1]=4 200 B14R1.520 C[C@H](CC#N)COCC1=CC=CC=C1 MCULE-7314745863 [1,0,0,0,0,1|2,0,0]=4