0 B14R1.863 CCC(C)/N=C/C1=CC=CC=C1OC MCULE-7730030985 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.863 CCC(C)NCC1=CC=CC=C1OC MCULE-4096375950 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.863 CCC(C)NCC1=CC=CC=C1OC MCULE-6986697169 [0,0,0,0,0,0|4,0,0]=4 3 B14R1.863 CCC1=CC=CC=C1OCC(O)CO MCULE-2582645501 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.863 CNC(C)CCC1=C(C=CC=C1)OC MCULE-5778515720 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.863 COC(=O)COC1=C(C=CC=C1)OC MCULE-3049830468 [0,0,0,0,0,0|2,0,2]=4 6 B14R1.863 COC1=C(C=CC=C1)OC/C(=N/O)/N MCULE-4859788167 [0,0,0,0,0,0|2,0,1]=3 7 B14R1.863 COC1=C(C=CC=C1)OCC(C)CN MCULE-6527892255 [0,0,0,0,0,0|2,0,0]=2 8 B14R1.863 COC1=C(C=CC=C1)SCC(C)CN MCULE-7382924609 [0,0,0,0,0,0|2,1,0]=3 9 B14R1.863 COC1=C(C=CC=C1)SCC(C)CN MCULE-9648102264 [0,0,0,0,0,0|2,1,0]=3 10 B14R1.863 COC1=CC=CC=C1NCC(O)CN MCULE-6257872073 [0,0,0,0,0,0|2,0,0]=2 11 B14R1.863 COC1=CC=CC=C1OCC(=NO)C MCULE-8339402405 [0,0,0,0,0,0|2,0,1]=3 12 B14R1.863 COC1=CC=CC=C1OCC(=O)NN MCULE-3016237495 [0,0,0,0,0,0|2,0,2]=4 13 B14R1.863 COC1=CC=CC=C1OCC(O)CN MCULE-6531191257 [0,0,0,0,0,0|1,0,0]=1 14 B14R1.863 COC1=CC=CC=C1OCC(O)CO MCULE-8909929116 [0,0,0,0,0,0|0,0,0]=0 15 B14R1.863 O=CC1=C(C=CC=C1)OCC(O)CO MCULE-5409739922 [0,0,0,0,0,0|2,0,0]=2 16 B14R1.863 [C@@H](O)(CO)COC1=CC=CC=C1OC MCULE-9975651571 [0,0,0,0,0,0|0,0,0]=0 17 B13R1.84 C=CCCCC1=CC=CC=C1OC MCULE-9016386990 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.84 CCC1=CC=CC=C1C#CCCO MCULE-4492549964 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.84 CCC1=CC=CC=C1OCCNC MCULE-1975739537 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.84 CCC1=CC=CC=C1OCCNC MCULE-9848692690 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.84 CCCC#CC1=CC=CC=C1OC MCULE-3288338194 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.84 CCCCNC1=CC=CC=C1OC MCULE-1656415285 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.84 CCCCOC1=C(C=CC=C1)CO MCULE-7545661457 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.84 CCCCOC1=C(C=CC=C1)SC MCULE-1150128085 [1,0,0,0,0,0|1,1,0]=3 25 B13R1.84 CCCCOC1=CC=CC=C1C#N MCULE-8393771507 [1,0,0,0,0,0|3,0,0]=4 26 B13R1.84 CCCCOC1=CC=CC=C1C=O MCULE-9404869631 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.84 CCCCOC1=CC=CC=C1CBr MCULE-9109718611 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.84 CCCCSC1=C(C=CC=C1)SC MCULE-9961743503 [1,0,0,0,0,0|1,2,0]=4 29 B13R1.84 CCCNCC1=CC=CC=C1OC MCULE-7621892767 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.84 CCCNCC1=CC=CC=C1OC MCULE-7707952138 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.84 CNCCCC1=C(C=CC=C1)OC MCULE-3692687732 [1,0,0,0,0,0|3,0,0]=4 32 B13R1.84 CNCCOC1=C(C=CC=C1)OC MCULE-4571735877 [1,0,0,0,0,0|2,0,0]=3 33 B13R1.84 CNCCOC1=C(C=CC=C1)OC MCULE-9358733044 [1,0,0,0,0,0|2,0,0]=3 34 B13R1.84 COC1=C(C=CC=C1)CCCCN MCULE-4065719864 [1,0,0,0,0,0|2,0,0]=3 35 B13R1.84 COC1=C(C=CC=C1)CCCCN MCULE-5226795636 [1,0,0,0,0,0|2,0,0]=3 36 B13R1.84 COC1=C(C=CC=C1)NCCC#N MCULE-6256695086 [1,0,0,0,0,0|2,0,1]=4 37 B13R1.84 COC1=C(N=CC=C1)CCCCN MCULE-3401868830 [1,0,0,0,0,0|3,0,0]=4 38 B13R1.84 COC1=CC=CC=C1C#CCCO MCULE-1506937539 [1,0,0,0,0,0|1,0,1]=3 39 B13R1.84 COC1=CC=CC=C1CCCC#N MCULE-5636673070 [1,0,0,0,0,0|2,0,1]=4 40 B13R1.84 COC1=CC=CC=C1CNCCO MCULE-8231537125 [1,0,0,0,0,0|2,0,0]=3 41 B13R1.84 COC1=CC=CC=C1CNCCO MCULE-8965217868 [1,0,0,0,0,0|2,0,0]=3 42 B13R1.84 COC1=CC=CC=C1OCCC=O MCULE-3916705326 [1,0,0,0,0,0|0,0,2]=3 43 B13R1.84 COC1=CC=CC=C1OCCCBr MCULE-2878617081 [1,0,0,0,0,0|1,0,0]=2 44 B13R1.84 COC1=CC=CC=C1OCCCN MCULE-3550753462 [1,0,0,0,0,0|1,0,0]=2 45 B13R1.84 COC1=CC=CC=C1OCCCN MCULE-8215335544 [1,0,0,0,0,0|1,0,0]=2 46 B13R1.84 COCCNC1=C(C=CC=C1)OC MCULE-4870041748 [1,0,0,0,0,0|3,0,0]=4 47 B13R1.84 COCCOC1=CC=CN=C1OC MCULE-2828198453 [1,0,0,0,0,0|3,0,0]=4 48 B13R1.84 N#CC1=CC=CC=C1OCCCN MCULE-8672577148 [1,0,0,0,0,0|3,0,0]=4 49 B13R1.90 C=C(C)CCC1=CC=CC=C1OC MCULE-5707418792 [1,0,0,0,0,0|2,0,1]=4 50 B13R1.90 CC(C)COC1=C(C=CC=C1)C#N MCULE-9746342732 [1,0,0,0,0,0|3,0,0]=4 51 B13R1.90 CC(C)COC1=C(C=CC=C1)C=O MCULE-9883174584 [1,0,0,0,0,0|3,0,0]=4 52 B13R1.90 CC(C)COC1=C(C=CC=C1)CBr MCULE-5220042817 [1,0,0,0,0,0|3,0,0]=4 53 B13R1.90 CC(C)COC1=C(C=CC=C1)CN MCULE-3062136239 [1,0,0,0,0,0|3,0,0]=4 54 B13R1.90 CC(C)COC1=C(C=CC=C1)CO MCULE-9119053808 [1,0,0,0,0,0|3,0,0]=4 55 B13R1.90 CC(O)COC1=C(C=CC=C1)CN MCULE-1453682414 [1,0,0,0,0,0|2,0,0]=3 56 B13R1.90 CC(O)COC1=C(C=CC=C1)CN MCULE-1537335028 [1,0,0,0,0,0|2,0,0]=3 57 B13R1.90 CCC1=C(C=CC=C1)OCC(=O)O MCULE-9590469317 [1,0,0,0,0,0|1,0,2]=4 58 B13R1.90 CCC1=CC=CC=C1C#CC(C)O MCULE-1228627783 [1,0,0,0,0,0|2,0,1]=4 59 B13R1.90 CCC1=CC=CC=C1NCC(C)C MCULE-2884329119 [1,0,0,0,0,0|3,0,0]=4 60 B13R1.90 CNC1=C(C=CC=C1)OCC(C)C MCULE-3231801622 [1,0,0,0,0,0|2,0,0]=3 61 B13R1.90 COC1=C(C=CC=C1)CCC(=O)C MCULE-7917243999 [1,0,0,0,0,0|1,0,2]=4 62 B13R1.90 COC1=C(C=CC=C1)CCC(C)N MCULE-2142244415 [1,0,0,0,0,0|2,0,0]=3 63 B13R1.90 COC1=C(C=CC=C1)NCC(=O)O MCULE-9578368069 [1,0,0,0,0,0|1,0,2]=4 64 B13R1.90 COC1=C(C=CC=C1)OCC(=O)N MCULE-9042627931 [1,0,0,0,0,0|1,0,2]=4 65 B13R1.90 COC1=C(C=CC=C1)OCC(C)N MCULE-6146115168 [1,0,0,0,0,0|1,0,0]=2 66 B13R1.90 COC1=C(C=CC=C1)OCC(C)N MCULE-8776649645 [1,0,0,0,0,0|1,0,0]=2 67 B13R1.90 COC1=C(C=CC=C1)OCC(C)O MCULE-8865268610 [1,0,0,0,0,0|0,0,0]=1 68 B13R1.90 COC1=C(C=CC=C1)SCC(=O)O MCULE-7477264520 [1,0,0,0,0,0|0,1,2]=4 69 B13R1.90 COC1=CC=CC=C1C#CC(C)O MCULE-6386987361 [1,0,0,0,0,0|1,0,1]=3 70 B13R1.90 COC1=CC=CC=C1CCC(=O)O MCULE-1258270395 [1,0,0,0,0,0|1,0,2]=4 71 B13R1.90 COC1=CC=CC=C1CNC(C)C MCULE-4578754058 [1,0,0,0,0,0|3,0,0]=4 72 B13R1.90 COC1=CC=CC=C1CNC(C)C MCULE-5103229085 [1,0,0,0,0,0|3,0,0]=4 73 B13R1.90 COC1=CC=CC=C1OCC(=N)N MCULE-1031681902 [1,0,0,0,0,0|2,0,1]=4 74 B13R1.90 COC1=CC=CC=C1OCC(=N)N MCULE-8552806743 [1,0,0,0,0,0|2,0,1]=4 75 B13R1.90 COC1=CC=CC=C1OCC(=O)C MCULE-3613649504 [1,0,0,0,0,0|0,0,2]=3 76 B13R1.90 COC1=CC=CC=C1OCC(=O)Cl MCULE-2612833532 [1,0,0,0,0,0|1,0,2]=4 77 B13R1.90 COC1=CC=CC=C1OCC(=O)O MCULE-3487267475 [1,0,0,0,0,0|0,0,2]=3 78 B13R1.90 COC1=CC=CC=C1OCC(=O)[O-] MCULE-6785914379 [1,0,0,0,0,0|0,0,3]=4 79 B13R1.90 CSC1=C(C=CC=C1)OCC(C)C MCULE-2689705684 [1,0,0,0,0,0|1,1,0]=3 80 B13R1.90 CSC1=C(C=CC=C1)SCC(C)C MCULE-1778083196 [1,0,0,0,0,0|1,2,0]=4 81 B13R1.90 CSC1=CC=CC=C1OCC(=O)O MCULE-5696408001 [1,0,0,0,0,0|0,1,2]=4 82 B13R1.528 CC1=C(C=CC=C1)OC/C(=N/O)/N MCULE-3094893795 [1,0,0,0,0,0|2,0,1]=4 83 B13R1.528 CC1=C(C=CC=C1)OCC(O)CN MCULE-5280328074 [1,0,0,0,0,0|1,0,0]=2 84 B13R1.528 CC1=C(C=CC=C1)OCC(O)CN MCULE-8657354397 [1,0,0,0,0,0|1,0,0]=2 85 B13R1.528 CC1=C(C=CC=C1)OCC(O)CO MCULE-1125347766 [1,0,0,0,0,0|0,0,0]=1 86 B13R1.528 CCC(N)COC1=C(C=CC=C1)F MCULE-1545390078 [1,0,0,0,0,0|3,0,0]=4 87 B13R1.528 CCC(N)COC1=C(C=CC=C1)F MCULE-6421863415 [1,0,0,0,0,0|3,0,0]=4 88 B13R1.528 NCC(O)CNC1=CC=CC=C1Br MCULE-8261402644 [1,0,0,0,0,0|3,0,0]=4 89 B13R1.528 NCC(O)CNC1=CC=CC=C1Cl MCULE-6615531061 [1,0,0,0,0,0|3,0,0]=4 90 B13R1.528 NCC(O)COC1=C(C=CC=C1)Br MCULE-5775695445 [1,0,0,0,0,0|2,0,0]=3 91 B13R1.528 O=C(COC1=CC=CC=C1O)NO MCULE-6803022656 [1,0,0,0,0,0|1,0,2]=4 92 B13R1.528 OCC(O)COC1=CC=CC=C1Cl MCULE-6324610820 [1,0,0,0,0,0|1,0,0]=2 93 B13R1.528 [NH3+]CC(O)C[NH2+]C1=C(C=CC=C1)Br MCULE-4465119717 [1,0,0,0,0,0|3,0,0]=4 94 B15R1.87 COC1=C(C=CC=C1)OCC(N)C(C)C MCULE-2532956510 [0,1,0,0,0,0|2,0,0]=3 95 B15R1.87 COC1=CC=CC=C1C#CC(O)C(C)C MCULE-5126698084 [0,1,0,0,0,0|2,0,1]=4 96 B15R1.87 COC1=CC=CC=C1CCC(N)C(=O)O MCULE-7903292913 [0,1,0,0,0,0|2,0,1]=4 97 B15R1.87 COC1=CC=CC=C1CC[C@@H](N)C(=O)O MCULE-2850635074 [0,1,0,0,0,0|2,0,1]=4 98 B15R1.87 COC1=CC=CC=C1CC[C@H](N)C(=O)O MCULE-3854583154 [0,1,0,0,0,0|2,0,1]=4 99 B15R1.87 COC1=CC=CC=C1OCC(=O)C(C)C MCULE-6205961465 [0,1,0,0,0,0|1,0,2]=4 100 B15R1.273 C=CCC1=C(C=CC=C1)OCC(O)CN MCULE-3700796600 [0,1,0,0,0,0|2,0,1]=4 101 B15R1.273 CCOC1=C(C=CC=C1)OCC(O)CO MCULE-5187541588 [0,1,0,0,0,0|0,0,0]=1 102 B15R1.273 CCOC1=CC=CC=C1OCC(=NO)C MCULE-8157425737 [0,1,0,0,0,0|2,0,1]=4 103 B15R1.768 CCOC(=O)COC1=C(C=CC=C1)OC MCULE-6295570381 [0,1,0,0,0,0|1,0,2]=4 104 B15R1.768 COCC(C)NCC1=CC=CC=C1OC MCULE-6320361110 [0,1,0,0,0,0|3,0,0]=4 105 B15R1.768 COCC(C)NCC1=CC=CC=C1OC MCULE-8331451502 [0,1,0,0,0,0|3,0,0]=4 106 B15R1.768 COCC(O)CNC1=C(C=CC=C1)OC MCULE-6710982602 [0,1,0,0,0,0|1,0,0]=2 107 B15R1.1108 CC(C)C1=CC=CC=C1OCC(O)CN MCULE-3780551183 [0,1,0,0,0,0|2,0,0]=3 108 B15R1.1108 CC(C)C1=CC=CC=C1OCC(O)CN MCULE-8226108419 [0,1,0,0,0,0|2,0,0]=3 109 B15R1.4545 CCC(C)(O)C#CC1=CC=CC=C1OC MCULE-1259350021 [0,1,0,0,0,0|2,0,1]=4 110 B15R1.4545 COC1=CC=CC=C1CNC(C)(C)CO MCULE-2289812751 [0,1,0,0,0,0|3,0,0]=4 111 B15R1.4545 COC1=CC=CC=C1CNC(C)(C)CO MCULE-6450847903 [0,1,0,0,0,0|3,0,0]=4 112 B15R2.4 OCC(O)CN1CCC2=C1C=CC=C2 MCULE-9383535535 [0,0,0,1,0,0|2,0,0]=3 113 B15R2.1592 CN1C(=NC2=C1C=CC=C2)C(O)CO MCULE-3441869619 [0,0,0,1,0,0|2,0,1]=4 114 B15R2.1592 CN1C2=CC=CC=C2C=C1C(O)CO MCULE-5190974453 [0,0,0,1,0,0|2,0,1]=4 115 B15R2.1601 CC(NN)C1COC2=C(O1)C=CC=C2 MCULE-4616103094 [0,0,0,1,0,0|3,0,0]=4 116 B15R2.1601 CNC(C)C1COC2=CC=CC=C2O1 MCULE-4745587823 [0,0,0,1,0,0|3,0,0]=4 117 B15R2.1601 N/C(=N/O)/C1COC2=C(O1)C=CC=C2 MCULE-2027871553 [0,0,0,1,0,0|2,0,1]=4 118 B15R2.1601 N/C(=N/O)/C1COC2=C(O1)C=CC=C2 MCULE-2093675854 [0,0,0,1,0,0|2,0,1]=4 119 B15R2.1601 O=C(CBr)C1COC2=C(O1)C=CC=C2 MCULE-6263362500 [0,0,0,1,0,0|1,0,2]=4 120 B15R2.1919 COC1=C(C=CC=C1)NC2CCC2O MCULE-4506752344 [0,0,0,1,0,0|2,0,0]=3 121 B15R2.1919 COC1=CC=CC=C1O[C@@H]2CC[C@H]2O MCULE-8783733417 [0,0,0,1,0,0|1,0,0]=2 122 B15R2.2189 COC1=C(C=CC=C1)N2CCC(C2)N MCULE-8992989666 [0,0,0,1,0,0|3,0,0]=4 123 B15R2.2300 COC1=C(C=CC=C1)OCC2CC2N MCULE-8658147123 [0,0,0,1,0,0|2,0,0]=3 124 B15R2.2310 COC1=C2OCC(CC2=CC=C1)C=O MCULE-3024245023 [0,0,0,1,0,0|1,0,2]=4 125 B15R2.2310 COC1=C2OCC(CC2=CC=C1)CN MCULE-6759181015 [0,0,0,1,0,0|2,0,0]=3 126 B15R2.4953 COC1=C(C=CC=C1)CNC2COC2 MCULE-4670133136 [0,0,0,1,0,0|3,0,0]=4 127 B15R2.20918 COC1=C2CCC(C2=CC=C1)(N)CO MCULE-7505710035 [0,0,0,1,0,0|2,0,0]=3 128 B15R2.20926 COC1=C2OCC(C(=O)C2=CC=C1)N MCULE-4303765970 [0,0,0,1,0,0|1,0,2]=4 129 B15R2.20926 COC1=C2OCC(C(=O)C2=CC=C1)N MCULE-4815017175 [0,0,0,1,0,0|1,0,2]=4 130 B13R1.91 CCC(=O)CC1=CC=CC=C1OC MCULE-8215494254 [0,0,0,0,1,0|1,0,2]=4 131 B13R1.91 CCC(O)CC1=C(C=CC=C1)SC MCULE-8231651937 [0,0,0,0,1,0|1,1,0]=3 132 B13R1.91 CCC1=C(C=CC=C1)CC(O)CC MCULE-7902115690 [0,0,0,0,1,0|2,0,0]=3 133 B13R1.91 CNC(C)CC1=CC=CC=C1OC MCULE-1712236079 [0,0,0,0,1,0|3,0,0]=4 134 B13R1.91 CNC(C)CC1=CC=CC=C1OC MCULE-2813149515 [0,0,0,0,1,0|3,0,0]=4 135 B13R1.91 COC1=C(C=CC=C1)C/C(=N/O)/N MCULE-4077567069 [0,0,0,0,1,0|2,0,1]=4 136 B13R1.91 COC1=C(C=CC=C1)CC(=O)CCl MCULE-9250042513 [0,0,0,0,1,0|1,0,2]=4 137 B13R1.91 COC1=C(C=CC=C1)OC(C)CN MCULE-3267091723 [0,0,0,0,1,0|2,0,0]=3 138 B13R1.91 COC1=CC=CC=C1CC(=O)CBr MCULE-3176704812 [0,0,0,0,1,0|1,0,2]=4 139 B13R1.91 COC1=CC=CC=C1CC(C)CN MCULE-7348072055 [0,0,0,0,1,0|2,0,0]=3 140 B13R1.91 COC1=CC=CC=C1CC(N)CO MCULE-3006748304 [0,0,0,0,1,0|1,0,0]=2 141 B13R1.91 COC1=CC=CC=C1C[C@@H](N)CO MCULE-4564044252 [0,0,0,0,1,0|1,0,0]=2 142 B13R1.91 COC1=CC=CC=C1C[C@@H](N)CO MCULE-6293007313 [0,0,0,0,1,0|1,0,0]=2 143 B13R1.91 COC1=CC=CC=C1OC(=O)CN MCULE-2153203092 [0,0,0,0,1,0|1,0,2]=4 144 B13R1.91 COC1=CC=CC=C1OC(=O)CN MCULE-3270505377 [0,0,0,0,1,0|1,0,2]=4 145 B12R1.121 C#CC1=C(C=CC=C1)OCCC MCULE-3396722454 [2,0,0,0,0,0|1,0,1]=4 146 B12R1.121 C#CCOC1=C(C=CC=C1)OC MCULE-3587144656 [2,0,0,0,0,0|0,0,2]=4 147 B12R1.121 C=CCCC1=CC=CC=C1OC MCULE-5918591535 [2,0,0,0,0,0|1,0,1]=4 148 B12R1.121 CCC1=C(C=CC=C1)CCCO MCULE-8999542401 [2,0,0,0,0,0|1,0,0]=3 149 B12R1.121 CCC1=C(C=CC=C1)OCCBr MCULE-3712740725 [2,0,0,0,0,0|2,0,0]=4 150 B12R1.121 CCC1=C(C=CC=C1)OCCN MCULE-4219414234 [2,0,0,0,0,0|2,0,0]=4 151 B12R1.121 CCC1=C(C=CC=C1)OCOC MCULE-8340971013 [2,0,0,0,0,0|2,0,0]=4 152 B12R1.121 CCCNC1=C(C=CC=C1)OC MCULE-9348607608 [2,0,0,0,0,0|1,0,0]=3 153 B12R1.121 CCCOC1=C(C=CC=C1)CO MCULE-3522593383 [2,0,0,0,0,0|2,0,0]=4 154 B12R1.121 CCCOC1=C(C=CC=C1)SC MCULE-6155212059 [2,0,0,0,0,0|0,1,0]=3 155 B12R1.121 CCCOC1=CC=CC=C1C#N MCULE-7193844564 [2,0,0,0,0,0|2,0,0]=4 156 B12R1.121 CCCOC1=CC=CC=C1C=O MCULE-7807414930 [2,0,0,0,0,0|2,0,0]=4 157 B12R1.121 CCCOC1=CC=CC=C1CBr MCULE-5561564500 [2,0,0,0,0,0|2,0,0]=4 158 B12R1.121 CCCOC1=CC=CC=C1CN MCULE-9467130781 [2,0,0,0,0,0|2,0,0]=4 159 B12R1.121 CCCOC1=CC=CC=C1NC MCULE-6658766269 [2,0,0,0,0,0|1,0,0]=3 160 B12R1.121 CCCSC1=C(C=CC=C1)SC MCULE-6586317823 [2,0,0,0,0,0|0,2,0]=4 161 B12R1.121 CCCSC1=CC=CC=C1OC MCULE-6410640260 [2,0,0,0,0,0|0,1,0]=3 162 B12R1.121 CCNCC1=CC=CC=C1OC MCULE-1629407439 [2,0,0,0,0,0|2,0,0]=4 163 B12R1.121 CCNCC1=CC=CC=C1OC MCULE-6194430856 [2,0,0,0,0,0|2,0,0]=4 164 B12R1.121 CCSCC1=C(C=CC=C1)OC MCULE-3901101891 [2,0,0,0,0,0|2,0,0]=4 165 B12R1.121 CNCCC1=C(C=CC=C1)OC MCULE-3614966225 [2,0,0,0,0,0|2,0,0]=4 166 B12R1.121 COC1=C(C=CC=C1)C=CCO MCULE-5019165488 [2,0,0,0,0,0|0,0,2]=4 167 B12R1.121 COC1=C(C=CC=C1)CCCBr MCULE-6504468262 [2,0,0,0,0,0|1,0,0]=3 168 B12R1.121 COC1=C(C=CC=C1)CCCCl MCULE-3997593720 [2,0,0,0,0,0|1,0,0]=3 169 B12R1.121 COC1=C(C=CC=C1)CCCN MCULE-3441943872 [2,0,0,0,0,0|1,0,0]=3 170 B12R1.121 COC1=C(C=CC=C1)CCCO MCULE-2886445322 [2,0,0,0,0,0|0,0,0]=2 171 B12R1.121 COC1=C(C=CC=C1)NCCO MCULE-9301346647 [2,0,0,0,0,0|1,0,0]=3 172 B12R1.121 COC1=C(C=CC=C1)OCC#N MCULE-1396526635 [2,0,0,0,0,0|1,0,1]=4 173 B12R1.121 COC1=C(C=CC=C1)OCCBr MCULE-9535305217 [2,0,0,0,0,0|1,0,0]=3 174 B12R1.121 COC1=C(C=CC=C1)OCCN MCULE-4440960495 [2,0,0,0,0,0|1,0,0]=3 175 B12R1.121 COC1=C(C=CC=C1)OCCO MCULE-4436511881 [2,0,0,0,0,0|0,0,0]=2 176 B12R1.121 COC1=C(C=CC=C1)SCCO MCULE-6603853239 [2,0,0,0,0,0|0,1,0]=3 177 B12R1.121 COC1=CC=CC=C1/C=C/CO MCULE-2037166777 [2,0,0,0,0,0|0,0,2]=4 178 B12R1.121 COC1=CC=CC=C1C#CCO MCULE-4363788438 [2,0,0,0,0,0|0,0,2]=4 179 B12R1.121 COC1=CC=CC=C1CCC=O MCULE-4401474399 [2,0,0,0,0,0|0,0,2]=4 180 B12R1.121 COC1=CC=CC=C1CCNN MCULE-5567260780 [2,0,0,0,0,0|2,0,0]=4 181 B12R1.121 COC1=CC=CC=C1CCNN MCULE-5635713229 [2,0,0,0,0,0|2,0,0]=4 182 B12R1.121 COC1=CC=CC=C1OCC=O MCULE-4925739468 [2,0,0,0,0,0|0,0,2]=4 183 B12R1.121 COC1=CC=CC=C1OCCCl MCULE-7596457115 [2,0,0,0,0,0|1,0,0]=3 184 B12R1.121 COC1=CC=CC=C1OCCN MCULE-1655412691 [2,0,0,0,0,0|1,0,0]=3 185 B12R1.121 COC1=CC=CC=C1SCCN MCULE-7170084955 [2,0,0,0,0,0|1,1,0]=4 186 B12R1.121 COCOC1=C(C=CC=C1)OC MCULE-6877261815 [2,0,0,0,0,0|1,0,0]=3 187 B12R1.121 COCOC1=CC=CC=C1SC MCULE-2103116756 [2,0,0,0,0,0|1,1,0]=4 188 B12R1.121 CSC1=CC=CC=C1OCCN MCULE-2347367871 [2,0,0,0,0,0|1,1,0]=4 189 B12R1.121 N#CC1=C(C=CC=C1)CCCO MCULE-9513525839 [2,0,0,0,0,0|2,0,0]=4 190 B12R1.121 N#CC1=CC=CC=C1OCCO MCULE-7159603880 [2,0,0,0,0,0|2,0,0]=4 191 B12R1.121 NCC1=C(C=CC=C1)OCCO MCULE-1691957030 [2,0,0,0,0,0|2,0,0]=4 192 B12R1.121 NCC1=C(C=CC=C1)OCCO MCULE-4798168616 [2,0,0,0,0,0|2,0,0]=4 193 B12R1.121 O=CC1=CC=CC=C1OCCO MCULE-7840607650 [2,0,0,0,0,0|2,0,0]=4 194 B12R1.267 BrCCCOC1=CC=CC=C1Br MCULE-9342633840 [2,0,0,0,0,0|2,0,0]=4 195 B12R1.267 CC1=C(C=CC=C1)CCCCN MCULE-2992696271 [2,0,0,0,0,0|2,0,0]=4 196 B12R1.267 CC1=C(C=CC=C1)CCCCN MCULE-6662310200 [2,0,0,0,0,0|2,0,0]=4 197 B12R1.267 CC1=C(C=CC=C1)OCCC#N MCULE-8108293294 [2,0,0,0,0,0|1,0,1]=4 198 B12R1.267 CC1=C(C=CC=C1)OCCCBr MCULE-1902018518 [2,0,0,0,0,0|1,0,0]=3 199 B12R1.267 CC1=C(C=CC=C1)OCCCN MCULE-2512759935 [2,0,0,0,0,0|1,0,0]=3 200 B12R1.267 CC1=C(C=CC=C1)OCCCO MCULE-9943590080 [2,0,0,0,0,0|0,0,0]=2 201 B12R1.267 CC1=CC=CC=C1C#CCCO MCULE-8236095312 [2,0,0,0,0,0|1,0,1]=4 202 B12R1.267 CC1=CC=CC=C1CCCCBr MCULE-7589398832 [2,0,0,0,0,0|2,0,0]=4 203 B12R1.267 CC1=CC=CC=C1CNCCO MCULE-5515543206 [2,0,0,0,0,0|2,0,0]=4 204 B12R1.267 CC1=CC=CC=C1CNCCO MCULE-9971990887 [2,0,0,0,0,0|2,0,0]=4 205 B12R1.267 CCCCCC1=CC=CC=C1O MCULE-4285273619 [2,0,0,0,0,0|2,0,0]=4 206 B12R1.267 CCCCOC1=C(C=CC=C1)Br MCULE-9455184134 [2,0,0,0,0,0|2,0,0]=4 207 B12R1.267 CCCCOC1=C(C=CC=C1)N MCULE-8335122948 [2,0,0,0,0,0|2,0,0]=4 208 B12R1.267 CCCCOC1=CC=CC=C1C MCULE-1629029446 [2,0,0,0,0,0|1,0,0]=3 209 B12R1.267 CCCCOC1=CC=CC=C1O MCULE-6535712862 [2,0,0,0,0,0|1,0,0]=3 210 B12R1.267 CCCCOC1=CC=CC=C1S MCULE-7155390064 [2,0,0,0,0,0|1,1,0]=4 211 B12R1.267 CNCCOC1=C(C=CC=C1)C MCULE-3411914393 [2,0,0,0,0,0|2,0,0]=4 212 B12R1.267 CNCCOC1=C(C=CC=C1)C MCULE-3521350295 [2,0,0,0,0,0|2,0,0]=4 213 B12R1.267 COCCOC1=C(C=CC=C1)O MCULE-4320924578 [2,0,0,0,0,0|2,0,0]=4 214 B12R1.267 ClC1=CC=CC=C1OCCCBr MCULE-3501781372 [2,0,0,0,0,0|2,0,0]=4 215 B12R1.267 ClCCCOC1=CC=CC=C1Br MCULE-8091295254 [2,0,0,0,0,0|2,0,0]=4 216 B12R1.267 FC1=C(C=CC=C1)OCCCBr MCULE-7068365428 [2,0,0,0,0,0|2,0,0]=4 217 B12R1.267 FCCCOC1=C(C=CC=C1)Br MCULE-5505753452 [2,0,0,0,0,0|2,0,0]=4 218 B12R1.267 FCCCOC1=C(C=CC=C1)I MCULE-3408916957 [2,0,0,0,0,0|2,0,0]=4 219 B12R1.267 NC1=C(C=CC=C1)OCCCO MCULE-5991608464 [2,0,0,0,0,0|1,0,0]=3 220 B12R1.267 NC1=CC=CC=C1OCCCO MCULE-6112278449 [2,0,0,0,0,0|1,0,0]=3 221 B12R1.267 NCCCOC1=C(C=CC=C1)F MCULE-3469476412 [2,0,0,0,0,0|2,0,0]=4 222 B12R1.267 NCCCOC1=C(C=CC=C1)F MCULE-8471729407 [2,0,0,0,0,0|2,0,0]=4 223 B12R1.267 NCCCOC1=C(C=CC=C1)O MCULE-8795017115 [2,0,0,0,0,0|1,0,0]=3 224 B12R1.267 NCCCOC1=CC=CC=C1Br MCULE-4301604204 [2,0,0,0,0,0|2,0,0]=4 225 B12R1.267 NCCCOC1=CC=CC=C1Cl MCULE-2122324167 [2,0,0,0,0,0|2,0,0]=4 226 B12R1.267 NCCCOC1=CC=CC=C1Cl MCULE-7443901337 [2,0,0,0,0,0|2,0,0]=4 227 B12R1.267 NCCCOC1=CC=CC=C1O MCULE-8822617912 [2,0,0,0,0,0|1,0,0]=3 228 B12R1.267 OCCCCC1=CC=CC=C1Br MCULE-3260285091 [2,0,0,0,0,0|2,0,0]=4 229 B12R1.267 OCCCOC1=C(C=CC=C1)Br MCULE-9643895213 [2,0,0,0,0,0|1,0,0]=3 230 B12R1.267 OCCCOC1=C(C=CC=C1)Cl MCULE-8324672923 [2,0,0,0,0,0|1,0,0]=3 231 B12R1.267 OCCCOC1=C(C=CC=C1)F MCULE-2224224230 [2,0,0,0,0,0|1,0,0]=3 232 B12R1.125 CC(C)COC1=C(C=CC=C1)Br MCULE-3500957114 [2,0,0,0,0,0|2,0,0]=4 233 B12R1.125 CC(C)COC1=CC=CC=C1N MCULE-2889046584 [2,0,0,0,0,0|2,0,0]=4 234 B12R1.125 CC(C)COC1=CC=CC=C1N MCULE-8153135530 [2,0,0,0,0,0|2,0,0]=4 235 B12R1.125 CC(C)COC1=CC=CC=C1O MCULE-7204311731 [2,0,0,0,0,0|1,0,0]=3 236 B12R1.125 CC(C)COC1=CC=CC=C1S MCULE-1887976116 [2,0,0,0,0,0|1,1,0]=4 237 B12R1.125 CC(C)COC1=NC=CC=C1O MCULE-7085122846 [2,0,0,0,0,0|2,0,0]=4 238 B12R1.125 CC(N)COC1=C(C=CC=C1)F MCULE-5896250967 [2,0,0,0,0,0|2,0,0]=4 239 B12R1.125 CC(N)COC1=CC=CC=C1Br MCULE-3865392306 [2,0,0,0,0,0|2,0,0]=4 240 B12R1.125 CC(O)CCC1=CC=CC=C1F MCULE-1346776751 [2,0,0,0,0,0|2,0,0]=4 241 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O MCULE-7437954656 [2,0,0,0,0,0|0,0,2]=4 242 B12R1.125 CC1=C(C=CC=C1)OCC(C)N MCULE-3170497796 [2,0,0,0,0,0|1,0,0]=3 243 B12R1.125 CC1=C(C=CC=C1)OCC(C)O MCULE-8880151994 [2,0,0,0,0,0|0,0,0]=2 244 B12R1.125 CC1=CC=CC=C1C#CC(C)O MCULE-4879861319 [2,0,0,0,0,0|1,0,1]=4 245 B12R1.125 O=C(O)COC1=CC=CC=C1O MCULE-3539626165 [2,0,0,0,0,0|0,0,2]=4 246 B12R1.27 CC(CO)CCC1=CC=CC=C1 MCULE-6469270838 [2,0,0,0,0,0|2,0,0]=4 247 B12R1.27 CC(CO)COC1=CC=CC=C1 MCULE-4468639580 [2,0,0,0,0,0|1,0,0]=3 248 B12R1.27 NC(CO)CCC1=CC=CC=C1 MCULE-6673850897 [2,0,0,0,0,0|2,0,0]=4 249 B12R1.27 NCC(O)CCC1=CC=CC=C1 MCULE-1179789034 [2,0,0,0,0,0|2,0,0]=4 250 B12R1.27 NCC(O)COC1=CC=CC=C1 MCULE-6040203191 [2,0,0,0,0,0|1,0,0]=3 251 B12R1.27 NCC(O)COC1=CC=CC=C1 MCULE-9281419461 [2,0,0,0,0,0|1,0,0]=3 252 B12R1.27 NC[C@@H](O)COC1=CC=CC=C1 MCULE-7044532278 [2,0,0,0,0,0|1,0,0]=3 253 B12R1.27 NC[C@H](O)COC1=CC=CC=C1 MCULE-3308855758 [2,0,0,0,0,0|1,0,0]=3 254 B12R1.27 NC[C@H](O)COC1=CC=CC=C1 MCULE-7782154972 [2,0,0,0,0,0|1,0,0]=3 255 B12R1.27 N[C@@H](CO)CCC1=CC=CC=C1 MCULE-1937001414 [2,0,0,0,0,0|2,0,0]=4 256 B12R1.27 N[C@@H](CO)CCC1=CC=CC=C1 MCULE-1994503014 [2,0,0,0,0,0|2,0,0]=4 257 B12R1.27 N[C@H](CO)CCC1=CC=CC=C1 MCULE-3457504038 [2,0,0,0,0,0|2,0,0]=4 258 B12R1.27 N[C@H](CO)CCC1=CC=CC=C1 MCULE-9691986906 [2,0,0,0,0,0|2,0,0]=4 259 B12R1.27 OC(CCl)COC1=CC=CC=C1 MCULE-5650362399 [2,0,0,0,0,0|1,0,0]=3 260 B12R1.27 OC(CF)COC1=CC=CC=C1 MCULE-5882248742 [2,0,0,0,0,0|1,0,0]=3 261 B12R1.27 OCC(F)COC1=CC=CC=C1 MCULE-8634603114 [2,0,0,0,0,0|1,0,0]=3 262 B12R1.27 OCC(O)CCC1=CC=CN=C1 MCULE-3150087712 [2,0,0,0,0,0|2,0,0]=4 263 B12R1.27 OCC(O)COC1=CC=CC=C1 MCULE-7331561605 [2,0,0,0,0,0|0,0,0]=2 264 B12R1.27 OCC(O)CSC1=CC=CC=C1 MCULE-1671039702 [2,0,0,0,0,0|0,1,0]=3 265 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 MCULE-7557155907 [2,0,0,0,0,0|0,0,0]=2 266 B14R1.96 CCC1=C(C=CC=C1)OCCC(=O)O MCULE-7450777454 [1,1,0,0,0,0|1,0,1]=4 267 B14R1.96 COC1=C(C=CC=C1)NCCC(=O)O MCULE-8758731302 [1,1,0,0,0,0|1,0,1]=4 268 B14R1.96 COC1=CC=CC=C1C#CCC(C)O MCULE-2590656231 [1,1,0,0,0,0|1,0,1]=4 269 B14R1.96 COC1=CC=CC=C1CCCC(=O)O MCULE-5200320010 [1,1,0,0,0,0|1,0,1]=4 270 B14R1.96 COC1=CC=CC=C1OCCC(=O)O MCULE-4846511318 [1,1,0,0,0,0|0,0,1]=3 271 B14R1.96 CSC1=C(C=CC=C1)OCCC(C)C MCULE-7094290213 [1,1,0,0,0,0|1,1,0]=4 272 B14R1.461 CCCCOC1=C(C=C(C=C1)Cl)SC MCULE-2506709231 [1,1,0,0,0,0|1,1,0]=4 273 B14R1.461 CCCCOC1=CC=C(C=C1OC)Br MCULE-1685373062 [1,1,0,0,0,0|1,0,0]=3 274 B14R1.461 CCCCOC1=CC=C(C=C1OC)N MCULE-4869075446 [1,1,0,0,0,0|1,0,0]=3 275 B14R1.461 CCCCOC1=CC=C(C=C1SC)C MCULE-4859719210 [1,1,0,0,0,0|1,1,0]=4 276 B14R1.461 CCCCOC1=NC=C(C=C1OC)Br MCULE-3493250543 [1,1,0,0,0,0|2,0,0]=4 277 B14R1.461 CNCCOC1=C(C=C(C=C1)C)OC MCULE-7110341406 [1,1,0,0,0,0|2,0,0]=4 278 B14R1.461 CNCCOC1=C(C=C(C=C1)C)OC MCULE-7464888790 [1,1,0,0,0,0|2,0,0]=4 279 B14R1.461 COCCOC1=C(C=C(C=C1)Br)OC MCULE-2054525244 [1,1,0,0,0,0|2,0,0]=4 280 B14R1.461 COCCOC1=C(C=C(C=C1)N)OC MCULE-5631723529 [1,1,0,0,0,0|2,0,0]=4 281 B14R1.476 CCC1=CC=CC=C1C#CCCCO MCULE-8613410959 [1,1,0,0,0,0|2,0,0]=4 282 B14R1.476 CCC1=CC=CC=C1OCCCNC MCULE-8697506808 [1,1,0,0,0,0|2,0,0]=4 283 B14R1.476 CCCCC#CC1=CC=CC=C1OC MCULE-3324621143 [1,1,0,0,0,0|2,0,0]=4 284 B14R1.476 CCCCCOC1=C(C=CC=C1)SC MCULE-7128680707 [1,1,0,0,0,0|1,1,0]=4 285 B14R1.476 CCCCNCC1=CC=CC=C1OC MCULE-5916827263 [1,1,0,0,0,0|2,0,0]=4 286 B14R1.476 CCCCNCC1=CC=CC=C1OC MCULE-7365264966 [1,1,0,0,0,0|2,0,0]=4 287 B14R1.476 CCNCCOC1=C(C=CC=C1)CC MCULE-9649848332 [1,1,0,0,0,0|2,0,0]=4 288 B14R1.476 CCNCCOC1=C(C=CC=C1)OC MCULE-2590411867 [1,1,0,0,0,0|1,0,0]=3 289 B14R1.476 CCNCCOC1=C(C=CC=C1)OC MCULE-4330939968 [1,1,0,0,0,0|1,0,0]=3 290 B14R1.476 CCNCCOC1=CC=CC=C1CC MCULE-4661548090 [1,1,0,0,0,0|2,0,0]=4 291 B14R1.476 CCOCCNC1=CC=CC=C1OC MCULE-6920501364 [1,1,0,0,0,0|2,0,0]=4 292 B14R1.476 CNCCCOC1=C(C=CC=C1)OC MCULE-7047100239 [1,1,0,0,0,0|1,0,0]=3 293 B14R1.476 CNCCCOC1=C(C=CC=C1)OC MCULE-7660898570 [1,1,0,0,0,0|1,0,0]=3 294 B14R1.476 COC1=C(C=CC=C1)CNCCCO MCULE-4660986699 [1,1,0,0,0,0|1,0,0]=3 295 B14R1.476 COC1=C(C=CC=C1)CNCCCO MCULE-7169939425 [1,1,0,0,0,0|1,0,0]=3 296 B14R1.476 COC1=C(C=CC=C1)OCC=CCN MCULE-8830462713 [1,1,0,0,0,0|1,0,1]=4 297 B14R1.476 COC1=C(C=CC=C1)OCCN=C=S MCULE-9816929377 [1,1,0,0,0,0|0,1,1]=4 298 B14R1.476 COC1=CC=CC=C1C#CCCCCl MCULE-5396109585 [1,1,0,0,0,0|2,0,0]=4 299 B14R1.476 COC1=CC=CC=C1C#CCCCO MCULE-7661811567 [1,1,0,0,0,0|1,0,0]=3 300 B14R1.476 COC1=CC=CC=C1OCC#CCN MCULE-5676608844 [1,1,0,0,0,0|1,0,1]=4 301 B14R1.476 COC1=CC=CC=C1OCC#CCN MCULE-9047350267 [1,1,0,0,0,0|1,0,1]=4 302 B14R1.476 COC1=CC=CC=C1OCCCCBr MCULE-6220283959 [1,1,0,0,0,0|1,0,0]=3 303 B14R1.476 COC1=CC=CC=C1OCCCCS MCULE-3814896843 [1,1,0,0,0,0|0,1,0]=3 304 B14R1.476 COCCCOC1=CC=CC=C1C=O MCULE-1534427264 [1,1,0,0,0,0|2,0,0]=4 305 B14R1.476 COCCNCC1=C(C=CC=C1)OC MCULE-6401466487 [1,1,0,0,0,0|2,0,0]=4 306 B14R1.476 COCCNCC1=CC=CC=C1OC MCULE-1699367398 [1,1,0,0,0,0|2,0,0]=4 307 B14R1.476 COCCNCC1=CC=CC=C1OC MCULE-9616711841 [1,1,0,0,0,0|2,0,0]=4 308 B14R1.476 O=CC1=C(C=CC=C1)OCCCCO MCULE-4633184781 [1,1,0,0,0,0|2,0,0]=4 309 B14R1.883 C#CCCOC1=C(C=CC(=C1)Br)OC MCULE-6134493137 [1,1,0,0,0,0|1,0,1]=4 310 B14R1.883 CCCCOC1=C(C=CC(=C1)Br)OC MCULE-8378074294 [1,1,0,0,0,0|1,0,0]=3 311 B14R1.883 CCCCOC1=C(C=CC(=C1)F)SC MCULE-1623230232 [1,1,0,0,0,0|1,1,0]=4 312 B14R1.883 CCCCOC1=CC(=CC=C1OC)S MCULE-5802870710 [1,1,0,0,0,0|1,0,0]=3 313 B14R1.883 COC1=C(C=C(C=C1)Br)OCCCN MCULE-7879397608 [1,1,0,0,0,0|1,0,0]=3 314 B14R1.883 COC1=C(C=C(C=C1)I)CNCCO MCULE-8583392444 [1,1,0,0,0,0|2,0,0]=4 315 B14R1.883 COC1=CC=C(C=C1C#CCCO)Cl MCULE-2207825335 [1,1,0,0,0,0|1,0,1]=4 316 B14R1.883 COC1=CC=C(C=C1C#CCCO)F MCULE-4036419071 [1,1,0,0,0,0|1,0,1]=4 317 B14R1.883 COC1=CC=C(C=C1CNCCO)Br MCULE-6692983755 [1,1,0,0,0,0|2,0,0]=4 318 B14R1.883 COC1=CC=C(C=C1CNCCO)Br MCULE-8941183904 [1,1,0,0,0,0|2,0,0]=4 319 B14R1.883 COC1=CC=C(C=C1CNCCO)Cl MCULE-5361393089 [1,1,0,0,0,0|2,0,0]=4 320 B14R1.883 COC1=CC=C(C=C1CNCCO)Cl MCULE-5582832589 [1,1,0,0,0,0|2,0,0]=4 321 B14R1.883 COC1=CC=C(C=C1OCCC#N)Br MCULE-7287425275 [1,1,0,0,0,0|1,0,1]=4 322 B14R1.883 COC1=CC=C(C=C1OCCCBr)Br MCULE-6273049496 [1,1,0,0,0,0|1,0,0]=3 323 B14R1.883 COC1=CC=C(C=C1OCCCF)Br MCULE-7991233138 [1,1,0,0,0,0|1,0,0]=3 324 B14R1.883 COCCOC1=C(C=CC(=C1)N)OC MCULE-3354565387 [1,1,0,0,0,0|2,0,0]=4 325 B14R1.883 COCCOC1=CC(=CC=C1OC)Br MCULE-1193696565 [1,1,0,0,0,0|2,0,0]=4 326 B14R1.903 CCCCOC1=CC=CC=C1C(=O)C MCULE-3679722833 [1,1,0,0,0,0|2,0,0]=4 327 B14R1.903 CCCCOC1=CC=CC=C1C(C)O MCULE-4857765372 [1,1,0,0,0,0|2,0,0]=4 328 B14R1.904 CCCCOC1=CC=CC=C1CCO MCULE-6392185473 [1,1,0,0,0,0|2,0,0]=4 329 B14R1.904 CCCCOC1=CC=CN=C1OCC MCULE-7019640157 [1,1,0,0,0,0|2,0,0]=4 330 B14R1.904 CCOC1=C(C=CC=C1)CNCCO MCULE-4767103858 [1,1,0,0,0,0|2,0,0]=4 331 B14R1.904 CCOC1=C(C=CC=C1)OCCCN MCULE-7867848108 [1,1,0,0,0,0|1,0,0]=3 332 B14R1.904 CCOC1=CC=CC=C1CNCCO MCULE-9683960535 [1,1,0,0,0,0|2,0,0]=4 333 B14R1.904 CCOC1=CC=CC=C1OCCCN MCULE-1524497203 [1,1,0,0,0,0|1,0,0]=3 334 B14R1.904 CCOC1=CC=CC=C1OCCNC MCULE-4301397532 [1,1,0,0,0,0|2,0,0]=4 335 B14R1.939 CCCCC(=O)C1=CC=CC=C1OC MCULE-4066317926 [1,1,0,0,0,0|2,0,0]=4 336 B14R1.939 CCCCC(N)C1=C(C=CC=C1)OC MCULE-4991221505 [1,1,0,0,0,0|2,0,0]=4 337 B14R1.939 CCCC[C@@H](N)C1=CC=CC=C1OC MCULE-3659383905 [1,1,0,0,0,0|2,0,0]=4 338 B14R1.939 CCCC[C@@H](N)C1=CC=CC=C1OC MCULE-5855144452 [1,1,0,0,0,0|2,0,0]=4 339 B14R1.939 CCCC[C@H](N)C1=CC=CC=C1OC MCULE-1879269545 [1,1,0,0,0,0|2,0,0]=4 340 B14R1.939 CCCC[C@H](N)C1=CC=CC=C1OC MCULE-6977703557 [1,1,0,0,0,0|2,0,0]=4 341 B14R1.939 COC1=C(C=CC=C1)C(=O)CCCCl MCULE-7699818983 [1,1,0,0,0,0|2,0,0]=4 342 B14R1.939 COC1=CC=CC=C1C(=O)NCCO MCULE-8793967489 [1,1,0,0,0,0|2,0,0]=4 343 B14R1.939 COC1=CC=CC=C1[C@@H](N)CCCN MCULE-7410046801 [1,1,0,0,0,0|2,0,0]=4 344 B14R1.939 COC1=CC=CC=C1[C@@H](N)CCCN MCULE-8628163655 [1,1,0,0,0,0|2,0,0]=4 345 B14R1.939 COC1=CC=CC=C1[C@@H](N)CCCO MCULE-1808086900 [1,1,0,0,0,0|1,0,0]=3 346 B14R1.939 COC1=CC=CC=C1[C@@H](N)CCCO MCULE-8362538089 [1,1,0,0,0,0|1,0,0]=3 347 B14R1.939 COC1=CC=CC=C1[C@H](N)CCCN MCULE-5382008352 [1,1,0,0,0,0|2,0,0]=4 348 B14R1.939 COC1=CC=CC=C1[C@H](N)CCCN MCULE-6836504375 [1,1,0,0,0,0|2,0,0]=4 349 B14R1.939 COC1=CC=CC=C1[C@H](N)CCCO MCULE-5159549915 [1,1,0,0,0,0|1,0,0]=3 350 B14R1.939 COC1=CC=CC=C1[C@H](N)CCCO MCULE-9682569948 [1,1,0,0,0,0|1,0,0]=3 351 B14R1.965 CCCC(=O)OC1=CC=CC=C1OC MCULE-8638933980 [1,1,0,0,0,0|1,0,1]=4 352 B14R1.965 CNCC(C)OC1=C(C=CC=C1)OC MCULE-7741058073 [1,1,0,0,0,0|2,0,0]=4 353 B14R1.965 COC1=C(C=CC=C1)OC(=O)CCCl MCULE-7861253733 [1,1,0,0,0,0|1,0,1]=4 354 B14R1.965 COC1=CC=CC=C1CC(C)CCN MCULE-5876264257 [1,1,0,0,0,0|2,0,0]=4 355 B14R1.965 COC1=CC=CC=C1CN(C)CCO MCULE-7463391863 [1,1,0,0,0,0|2,0,0]=4 356 B14R1.3381 C#CCCOC1=C(C=CC=C1Br)OC MCULE-1486472038 [1,1,0,0,0,0|1,0,1]=4 357 B14R1.3381 COC1=C(C(=CC=C1)Br)OCCCN MCULE-8401211057 [1,1,0,0,0,0|1,0,0]=3 358 B14R1.3381 COC1=C(C(=CC=C1)F)OCCCBr MCULE-1996932413 [1,1,0,0,0,0|1,0,0]=3 359 B14R1.3381 COCCOC1=C(C=CC=C1Br)OC MCULE-9401195861 [1,1,0,0,0,0|2,0,0]=4 360 B14R1.3381 COCCOC1=C(C=CC=C1F)OC MCULE-9275891478 [1,1,0,0,0,0|2,0,0]=4 361 B14R1.93 CC(C)(O)COC1=C(C=CC=C1)CN MCULE-8485150244 [1,1,0,0,0,0|2,0,0]=4 362 B14R1.93 COC1=C(C=CC=C1)CCC(C)(C)N MCULE-4517603699 [1,1,0,0,0,0|2,0,0]=4 363 B14R1.93 COC1=CC=CC=C1C#CC(C)(C)O MCULE-4223433065 [1,1,0,0,0,0|1,0,1]=4 364 B14R1.482 CC(C)COC1=CC=CC=C1CCO MCULE-6334731472 [1,1,0,0,0,0|2,0,0]=4 365 B14R1.482 CCOC1=C(C=CC=C1)OCC(=O)O MCULE-2394958933 [1,1,0,0,0,0|0,0,2]=4 366 B14R1.482 CCOC1=C(C=CC=C1)OCC(C)N MCULE-1152980616 [1,1,0,0,0,0|1,0,0]=3 367 B14R1.482 CCOC1=CC=CC=C1OCC(=O)C MCULE-1236152485 [1,1,0,0,0,0|0,0,2]=4 368 B14R1.482 CCOC1=NC=CC=C1OCC(C)C MCULE-1537646653 [1,1,0,0,0,0|2,0,0]=4 369 B14R1.482 CNCC1=C(C=CC=C1)OCC(C)C MCULE-3514361945 [1,1,0,0,0,0|2,0,0]=4 370 B14R1.482 CNCC1=C(C=CC=C1)OCC(C)C MCULE-5915241850 [1,1,0,0,0,0|2,0,0]=4 371 B14R1.840 COC1=C(C=CC=C1)C(N)CC(C)C MCULE-1385958476 [1,1,0,0,0,0|2,0,0]=4 372 B14R1.840 COC1=C(C=CC=C1)C(O)CC(C)C MCULE-4324099052 [1,1,0,0,0,0|2,0,0]=4 373 B14R1.840 COC1=CC=CC=C1C(=O)CC(C)C MCULE-2704521742 [1,1,0,0,0,0|2,0,0]=4 374 B14R1.840 COC1=CC=CC=C1[C@@H](N)CC(C)C MCULE-3673434729 [1,1,0,0,0,0|2,0,0]=4 375 B14R1.840 COC1=CC=CC=C1[C@@H](N)CC(C)C MCULE-9739263545 [1,1,0,0,0,0|2,0,0]=4 376 B14R1.840 COC1=CC=CC=C1[C@H](N)CC(C)C MCULE-3937054650 [1,1,0,0,0,0|2,0,0]=4 377 B14R1.840 COC1=CC=CC=C1[C@H](N)CC(C)C MCULE-7210374589 [1,1,0,0,0,0|2,0,0]=4 378 B14R1.1600 CCC1=CC(=CC=C1OCC(C)C)N MCULE-5718741572 [1,1,0,0,0,0|2,0,0]=4 379 B14R1.1600 COC1=C(C=CC(=C1)F)OCC(=O)O MCULE-7404098468 [1,1,0,0,0,0|0,0,2]=4 380 B14R1.1600 COC1=C(C=CC(=C1)N)OCC(C)C MCULE-7932711139 [1,1,0,0,0,0|1,0,0]=3 381 B14R1.1600 COC1=CC(=CC=C1OCC(=O)O)C MCULE-4060985766 [1,1,0,0,0,0|0,0,2]=4 382 B14R1.1600 COC1=CC(=CC=C1OCC(=O)O)Cl MCULE-2277744510 [1,1,0,0,0,0|0,0,2]=4 383 B14R1.1600 COC1=CC(=CC=C1OCC(C)C)Br MCULE-4026524000 [1,1,0,0,0,0|1,0,0]=3 384 B14R1.1600 COC1=CC(=CC=C1OCC(F)F)Br MCULE-2991033304 [1,1,0,0,0,0|2,0,0]=4 385 B14R1.1600 COC1=CC(=CC=C1OCC(F)F)N MCULE-9471067620 [1,1,0,0,0,0|2,0,0]=4 386 B14R1.1600 COC1=CC(=CC=C1OCC(F)F)N MCULE-9660428961 [1,1,0,0,0,0|2,0,0]=4 387 B14R1.1600 CSC1=CC(=CC=C1OCC(C)C)C MCULE-5134170566 [1,1,0,0,0,0|1,1,0]=4 388 B14R1.1600 CSC1=CC(=CC=C1OCC(C)C)F MCULE-3849300799 [1,1,0,0,0,0|1,1,0]=4 389 B14R1.1865 C=C(C)COC1=C(C=CC(=C1)Br)OC MCULE-1450872059 [1,1,0,0,0,0|1,0,1]=4 390 B14R1.1865 COC1=C(C=C(C=C1)Br)OCC(C)C MCULE-1123191168 [1,1,0,0,0,0|1,0,0]=3 391 B14R1.1865 COC1=C(C=C(C=C1)C)NCC(C)C MCULE-3665751307 [1,1,0,0,0,0|2,0,0]=4 392 B14R1.1865 COC1=C(C=C(C=C1)Cl)OCC(=O)O MCULE-8903147489 [1,1,0,0,0,0|0,0,2]=4 393 B14R1.1865 COC1=C(C=C(C=C1)N)OCC(F)F MCULE-7187604510 [1,1,0,0,0,0|2,0,0]=4 394 B14R1.1865 COC1=CC=C(C=C1C#CC(C)O)Cl MCULE-5095327321 [1,1,0,0,0,0|1,0,1]=4 395 B14R1.1865 COC1=CC=C(C=C1C#CC(C)O)F MCULE-5196136929 [1,1,0,0,0,0|1,0,1]=4 396 B14R1.1865 COC1=CC=C(C=C1OCC(C)C)S MCULE-6875782498 [1,1,0,0,0,0|1,0,0]=3 397 B14R1.1865 COC1=CC=C(C=C1OCC(F)F)Br MCULE-8246809319 [1,1,0,0,0,0|2,0,0]=4 398 B14R1.1865 CSC1=C(C=C(C=C1)F)OCC(C)C MCULE-8953305882 [1,1,0,0,0,0|1,1,0]=4 399 B14R1.2172 COC1=C(C(=CC=C1)Br)OCC(=O)O MCULE-1333781603 [1,1,0,0,0,0|0,0,2]=4 400 B14R1.2172 COC1=C(C(=CC=C1)Br)OCC(F)F MCULE-2426283123 [1,1,0,0,0,0|2,0,0]=4 401 B14R1.3135 COC1=C(C=CC=C1)CC(N)C(C)C MCULE-2299747661 [1,1,0,0,0,0|2,0,0]=4 402 B14R1.3135 COC1=C(C=CC=C1)OC(C)C(=O)O MCULE-8955707762 [1,1,0,0,0,0|0,0,2]=4 403 B14R1.3135 COC1=CC=CC=C1OC(=O)C(C)C MCULE-7798286640 [1,1,0,0,0,0|1,0,1]=4 404 B14R1.4522 CC(=O)C1=CC=CC=C1OCC(C)C MCULE-8993929345 [1,1,0,0,0,0|2,0,0]=4 405 B14R1.4522 CC(C)COC1=CC=CC=C1C(C)O MCULE-8953251342 [1,1,0,0,0,0|2,0,0]=4 406 B14R1.15 CC1=CC=CC(=C1C)OCC(O)CN MCULE-7577787991 [1,1,0,0,0,0|1,0,0]=3 407 B14R1.161 CC1=C(C=CC=C1)OCC(O)C(=O)O MCULE-8208271726 [1,1,0,0,0,0|0,0,1]=3 408 B14R1.387 COC(COC1=C(C=CC=C1)C)OC MCULE-6027208352 [1,1,0,0,0,0|2,0,0]=4 409 B14R1.598 COCC(O)COC1=CC=CC=C1C MCULE-9259482386 [1,1,0,0,0,0|0,0,0]=2 410 B14R1.598 O[NH2+]CC(O)COC1=C(C=CC=C1)Br MCULE-3499114980 [1,1,0,0,0,0|1,0,0]=3 411 B14R1.598 O[NH2+]CC(O)COC1=C(C=CC=C1)Br MCULE-9505343166 [1,1,0,0,0,0|1,0,0]=3 412 B14R1.727 CC1=CC(=C(C=C1)OCC(O)CN)C MCULE-3324012124 [1,1,0,0,0,0|1,0,0]=3 413 B14R1.727 CC1=CC(=C(C=C1)OCC(O)CN)C MCULE-4454495375 [1,1,0,0,0,0|1,0,0]=3 414 B14R1.19598 CC1=CC=CC(=C1OCC(C)NO)C MCULE-3556387260 [1,1,0,0,0,0|2,0,0]=4 415 B14R1.19598 CC1=CC=CC(=C1OCC(C)NO)C MCULE-9126099359 [1,1,0,0,0,0|2,0,0]=4 416 B14R1.19598 CC1=CC=CC(=C1OCC(O)CN)C MCULE-9224509502 [1,1,0,0,0,0|1,0,0]=3 417 B14R1.19598 CC1=CC=CC(=C1OCC(O)CN)C MCULE-9656223744 [1,1,0,0,0,0|1,0,0]=3 418 B14R1.19598 NCC(O)COC1=C(C=CC=C1Cl)Cl MCULE-7357279377 [1,1,0,0,0,0|2,0,0]=4 419 B14R1.95 CCC(C)[C@@H](N)C1=CC=CC=C1OC MCULE-3388173842 [0,1,0,0,1,0|2,0,0]=4 420 B14R1.95 CCC(C)[C@@H](N)C1=CC=CC=C1OC MCULE-7627036566 [0,1,0,0,1,0|2,0,0]=4 421 B14R1.95 CCC(C)[C@H](N)C1=CC=CC=C1OC MCULE-1737722525 [0,1,0,0,1,0|2,0,0]=4 422 B14R1.95 CCC(C)[C@H](N)C1=CC=CC=C1OC MCULE-3019756515 [0,1,0,0,1,0|2,0,0]=4 423 B14R1.95 CC[C@@H](O)[C@@H](N)C1=CC=CC=C1OC MCULE-1466597148 [0,1,0,0,1,0|1,0,0]=3 424 B14R1.95 CC[C@@H](O)[C@@H](N)C1=CC=CC=C1OC MCULE-3308106076 [0,1,0,0,1,0|1,0,0]=3 425 B14R1.95 CC[C@H](O)[C@H](N)C1=CC=CC=C1OC MCULE-7139160022 [0,1,0,0,1,0|1,0,0]=3 426 B14R1.95 CC[C@H](O)[C@H](N)C1=CC=CC=C1OC MCULE-9457310232 [0,1,0,0,1,0|1,0,0]=3 427 B14R1.2000 COC1=C(C=CC=C1)CC(C)(C)CN MCULE-1899728292 [0,1,0,0,1,0|2,0,0]=4 428 B14R1.2000 COC1=C(C=CC=C1)CC(C)(C)CN MCULE-3633832264 [0,1,0,0,1,0|2,0,0]=4 429 B14R1.2000 COC1=C(C=CC=C1)CC(C)(N)CO MCULE-1433368882 [0,1,0,0,1,0|1,0,0]=3 430 B14R1.2000 COC1=C(C=CC=C1)CC(C)(N)CO MCULE-9599198657 [0,1,0,0,1,0|1,0,0]=3 431 B14R1.3136 COC1=C(C=CC=C1)CC(CN)CO MCULE-6633489740 [0,1,0,0,1,0|1,0,0]=3 432 B14R1.3136 COC1=CC=CC=C1CC(OC)OC MCULE-7029426590 [0,1,0,0,1,0|2,0,0]=4 433 B14R1.3136 COC1=CC=CC=C1OC(CO)CO MCULE-1492610899 [0,1,0,0,1,0|0,0,0]=2 434 B14R1.3279 CCC(O)CC1=C(C=CC(=C1)Cl)OC MCULE-2775251740 [0,1,0,0,1,0|1,0,0]=3 435 B14R1.3279 CCC(O)CC1=CC(=CC=C1OC)C MCULE-8070797086 [0,1,0,0,1,0|1,0,0]=3 436 B14R1.3279 CCC(O)CC1=CC(=CC=C1OC)F MCULE-6806115757 [0,1,0,0,1,0|1,0,0]=3 437 B14R1.3279 COC1=CC=C(C=C1CC(C)CO)F MCULE-8273981008 [0,1,0,0,1,0|1,0,0]=3 438 B14R1.3302 CC(CO)OC1=CC=CC=C1C(C)C MCULE-3341256682 [0,1,0,0,1,0|2,0,0]=4 439 B14R1.3302 CCC(O)CC1=C(C=CC=C1)C(C)C MCULE-4078585014 [0,1,0,0,1,0|2,0,0]=4 440 B14R1.3417 CCC(C)OC1=CC=C(C=C1OC)Br MCULE-2356425419 [0,1,0,0,1,0|2,0,0]=4 441 B14R1.3417 CCC(O)CC1=C(C=C(C=C1)F)OC MCULE-3715046134 [0,1,0,0,1,0|1,0,0]=3 442 B14R1.3417 COC1=CC(=CC=C1OC(C)CO)F MCULE-4879781749 [0,1,0,0,1,0|1,0,0]=3 443 B16R1.18661 COC1=CC=CC=C1OCC(=NO)C(C)C MCULE-8491487209 [0,2,0,0,0,0|1,0,1]=4 444 B16R1.694 CCOC1=C(C=CC=C1)OCC(C)CNC MCULE-4609802389 [0,2,0,0,0,0|2,0,0]=4 445 B16R1.694 CCOC1=C(C=CC=C1)OCC(C)CNC MCULE-8970001796 [0,2,0,0,0,0|2,0,0]=4 446 B16R1.694 CCOC1=C(C=CC=C1)OCC(O)CNC MCULE-2431865485 [0,2,0,0,0,0|1,0,0]=3 447 B16R1.1332 CCC(C)C1=CC=CC=C1OCC(O)CN MCULE-1377576373 [0,2,0,0,0,0|2,0,0]=4 448 B16R1.1332 CCC(C)C1=CC=CC=C1OCC(O)CN MCULE-5260785851 [0,2,0,0,0,0|2,0,0]=4 449 B16R1.1454 COC1=C(C=CC=C1)OCC(=O)NCCO MCULE-3323926399 [0,2,0,0,0,0|0,0,2]=4 450 B16R1.1302 CC1=CC(=C(C=C1)C(C)C)OCC(O)CO MCULE-3521341328 [0,2,0,0,0,0|1,0,0]=3 451 B16R1.4743 CCC(CC)COC1=CC=C(C=C1OC)N MCULE-6078368844 [0,2,0,0,0,0|2,0,0]=4 452 B16R1.4743 CCC(CC)COC1=CC=C(C=C1OC)N MCULE-9287674986 [0,2,0,0,0,0|2,0,0]=4 453 B16R1.5568 COC1=C(C=CC=C1)C(=O)NC(CO)CO MCULE-7501572132 [0,2,0,0,0,0|2,0,0]=4 454 B14R2.3 OCCCN1CCC2=CC=CC=C12 MCULE-5787866612 [1,0,0,1,0,0|2,0,0]=4 455 B14R2.98 COC1=C(C=CC=C1)C2=CCCC2 MCULE-2757700166 [1,0,0,1,0,0|2,0,0]=4 456 B14R2.98 COC1=C(C=CC=C1)C2CCCN2 MCULE-6227642548 [1,0,0,1,0,0|2,0,0]=4 457 B14R2.98 COC1=C(C=CC=C1)C2CCCN2 MCULE-7704377636 [1,0,0,1,0,0|2,0,0]=4 458 B14R2.98 COC1=C(C=CC=C1)C2CCCN2 MCULE-8198280876 [1,0,0,1,0,0|2,0,0]=4 459 B14R2.98 COC1=C(C=CC=C1)[C@@H]2CCCN2 MCULE-2887344875 [1,0,0,1,0,0|2,0,0]=4 460 B14R2.98 COC1=C(C=CC=C1)[C@@H]2CCCN2 MCULE-4566581753 [1,0,0,1,0,0|2,0,0]=4 461 B14R2.98 COC1=C(C=CC=C1)[C@@H]2CCCN2 MCULE-5999705649 [1,0,0,1,0,0|2,0,0]=4 462 B14R2.98 COC1=C(C=CC=C1)[C@H]2CCCN2 MCULE-1941280576 [1,0,0,1,0,0|2,0,0]=4 463 B14R2.98 COC1=C(C=CC=C1)[C@H]2CCCN2 MCULE-8475758040 [1,0,0,1,0,0|2,0,0]=4 464 B14R2.98 COC1=C(C=CC=C1)[C@H]2CCCN2 MCULE-8584686458 [1,0,0,1,0,0|2,0,0]=4 465 B14R2.98 COC1=CC=CC=C1C2=NCCC2 MCULE-3853020815 [1,0,0,1,0,0|2,0,0]=4 466 B14R2.98 COC1=CC=CC=C1C2=NCCO2 MCULE-6845224645 [1,0,0,1,0,0|2,0,0]=4 467 B14R2.98 COC1=CC=CC=C1C2CCCN2 MCULE-5288070347 [1,0,0,1,0,0|2,0,0]=4 468 B14R2.98 COC1=CC=CC=C1[C@@H]2CCCN2 MCULE-1943606075 [1,0,0,1,0,0|2,0,0]=4 469 B14R2.98 COC1=CC=CC=C1[C@H]2CCCN2 MCULE-2834398895 [1,0,0,1,0,0|2,0,0]=4 470 B14R2.112 CNCC1COC2=CC=CC=C2O1 MCULE-1929462415 [1,0,0,1,0,0|2,0,0]=4 471 B14R2.112 CNCC1COC2=CC=CC=C2O1 MCULE-2942944256 [1,0,0,1,0,0|2,0,0]=4 472 B14R2.112 N#CCC1COC2=CC=CC=C2O1 MCULE-5751042107 [1,0,0,1,0,0|1,0,1]=4 473 B14R2.112 NCCC1COC2=CC=CC=C2O1 MCULE-3257668992 [1,0,0,1,0,0|1,0,0]=3 474 B14R2.112 NCCC1COC2=CC=CC=C2O1 MCULE-7157619845 [1,0,0,1,0,0|1,0,0]=3 475 B14R2.112 NCCC1CSC2=C(O1)C=CC=C2 MCULE-1814302730 [1,0,0,1,0,0|1,1,0]=4 476 B14R2.112 NCCC1CSC2=C(O1)C=CC=C2 MCULE-9233932238 [1,0,0,1,0,0|1,1,0]=4 477 B14R2.112 NNCC1COC2=C(O1)C=CC=C2 MCULE-1955920064 [1,0,0,1,0,0|2,0,0]=4 478 B14R2.112 NNCC1COC2=C(O1)C=CC=C2 MCULE-8875170674 [1,0,0,1,0,0|2,0,0]=4 479 B14R2.112 OCCC1CCC2=C(C1)C=CC=C2 MCULE-4298754130 [1,0,0,1,0,0|2,0,0]=4 480 B14R2.112 OCCC1CCC2=C(N1)C=CC=C2 MCULE-3561656333 [1,0,0,1,0,0|2,0,0]=4 481 B14R2.112 OCCC1COC2=CC=CC=C2O1 MCULE-4372431385 [1,0,0,1,0,0|0,0,0]=2 482 B14R2.1078 CCC1=C2OCCC(C2=CC=C1)N MCULE-7788415223 [1,0,0,1,0,0|2,0,0]=4 483 B14R2.1078 CCC1=C2OCCC(C2=CC=C1)N MCULE-8953104993 [1,0,0,1,0,0|2,0,0]=4 484 B14R2.1078 CCC1=C2OCC[C@@H](C2=CC=C1)N MCULE-8560739218 [1,0,0,1,0,0|2,0,0]=4 485 B14R2.1078 CCC1=C2OCC[C@H](C2=CC=C1)N MCULE-5016652900 [1,0,0,1,0,0|2,0,0]=4 486 B14R2.1078 CCC1=CC=CC2=C1OCC[C@@H]2N MCULE-9158561859 [1,0,0,1,0,0|2,0,0]=4 487 B14R2.1078 CCC1=CC=CC2=C1OCC[C@H]2N MCULE-5015258032 [1,0,0,1,0,0|2,0,0]=4 488 B14R2.1078 COC1=C2CCC[C@@H](C2=CC=C1)N MCULE-8707668049 [1,0,0,1,0,0|2,0,0]=4 489 B14R2.1078 COC1=C2NCCC(C2=CC=C1)C MCULE-6289471316 [1,0,0,1,0,0|2,0,0]=4 490 B14R2.1078 COC1=C2OCCC(=O)C2=CC=C1 MCULE-7323133778 [1,0,0,1,0,0|0,0,2]=4 491 B14R2.1078 COC1=C2OCCC(C2=CC=C1)N MCULE-3402533141 [1,0,0,1,0,0|1,0,0]=3 492 B14R2.1078 COC1=C2OCCC(C2=CC=C1)N MCULE-4800465674 [1,0,0,1,0,0|1,0,0]=3 493 B14R2.1078 COC1=C2OCCC(C2=CC=C1)O MCULE-9771646909 [1,0,0,1,0,0|0,0,0]=2 494 B14R2.1078 COC1=CC=CC2=C1CCCC2N MCULE-3289997764 [1,0,0,1,0,0|2,0,0]=4 495 B14R2.1078 COC1=CC=CC2=C1CCCC2N MCULE-4910262724 [1,0,0,1,0,0|2,0,0]=4 496 B14R2.1078 COC1=CC=CC2=C1CCCC2O MCULE-8454764920 [1,0,0,1,0,0|1,0,0]=3 497 B14R2.1078 COC1=CC=CC2=C1CCC[C@@H]2N MCULE-3540549570 [1,0,0,1,0,0|2,0,0]=4 498 B14R2.1078 COC1=CC=CC2=C1CCC[C@@H]2N MCULE-4408854650 [1,0,0,1,0,0|2,0,0]=4 499 B14R2.1078 COC1=CC=CC2=C1CCC[C@@H]2N MCULE-6414859732 [1,0,0,1,0,0|2,0,0]=4 500 B14R2.1078 COC1=CC=CC2=C1CCC[C@H]2N MCULE-5905334843 [1,0,0,1,0,0|2,0,0]=4 501 B14R2.1078 COC1=CC=CC2=C1CCC[C@H]2N MCULE-7373257630 [1,0,0,1,0,0|2,0,0]=4 502 B14R2.1078 COC1=CC=CC2=C1CCC[C@H]2N MCULE-8773039188 [1,0,0,1,0,0|2,0,0]=4 503 B14R2.1078 COC1=CC=CC2=C1CCC[C@H]2N MCULE-9136855331 [1,0,0,1,0,0|2,0,0]=4 504 B14R2.1078 COC1=CC=CC2=C1OCC[C@@H]2N MCULE-3593445326 [1,0,0,1,0,0|1,0,0]=3 505 B14R2.1078 COC1=CC=CC2=C1OCC[C@@H]2N MCULE-5680288305 [1,0,0,1,0,0|1,0,0]=3 506 B14R2.1078 COC1=CC=CC2=C1OCC[C@@H]2N MCULE-6317297504 [1,0,0,1,0,0|1,0,0]=3 507 B14R2.1078 COC1=CC=CC2=C1OCC[C@H]2N MCULE-1303975403 [1,0,0,1,0,0|1,0,0]=3 508 B14R2.1078 COC1=CC=CC2=C1OCC[C@H]2N MCULE-2934811962 [1,0,0,1,0,0|1,0,0]=3 509 B14R2.1078 COC1=CC=CC2=C1OCC[C@H]2N MCULE-9366708172 [1,0,0,1,0,0|1,0,0]=3 510 B14R2.1078 COC1=CC=CC2=C1OCC[C@H]2O MCULE-1322214823 [1,0,0,1,0,0|0,0,0]=2 511 B14R2.1078 CSC1=CC=CC2=C1OCC[C@@H]2N MCULE-3875962968 [1,0,0,1,0,0|1,1,0]=4 512 B14R2.1078 CSC1=CC=CC2=C1OCC[C@@H]2N MCULE-4289919363 [1,0,0,1,0,0|1,1,0]=4 513 B14R2.1078 CSC1=CC=CC2=C1OCC[C@H]2N MCULE-2237193230 [1,0,0,1,0,0|1,1,0]=4 514 B14R2.1078 CSC1=CC=CC2=C1OCC[C@H]2N MCULE-5309969365 [1,0,0,1,0,0|1,1,0]=4 515 B14R2.1914 COC1=CC=CC=C1OC2CNC2 MCULE-3373173553 [1,0,0,1,0,0|2,0,0]=4 516 B14R2.1914 COC1=CC=CC=C1OC2CNC2 MCULE-4145740366 [1,0,0,1,0,0|2,0,0]=4 517 B14R2.2839 C1=CC=C2OCCOCCOC2=C1 MCULE-6335223835 [1,0,0,1,0,0|2,0,0]=4 518 B14R2.2966 COC1=C(C=CC=C1)C2CC2CN MCULE-2255489626 [1,0,0,1,0,0|2,0,0]=4 519 B14R2.2966 COC1=C(C=CC=C1)C2CC2CO MCULE-9034973701 [1,0,0,1,0,0|1,0,0]=3 520 B14R2.11625 CCC1=C(C=CC=C1)OCC2CO2 MCULE-5508710255 [1,0,0,1,0,0|1,0,0]=3 521 B14R2.11625 CNC1=CC=CC=C1OCC2CC2 MCULE-8889690866 [1,0,0,1,0,0|2,0,0]=4 522 B14R2.11625 COC1=C(C=CC=C1)OCC2CO2 MCULE-8715945032 [1,0,0,1,0,0|0,0,0]=2 523 B14R2.11625 CSC1=C(C=CC=C1)OCC2CO2 MCULE-6768867330 [1,0,0,1,0,0|0,1,0]=3 524 B14R2.11625 N#CC1=C(C=CC=C1)OCC2CO2 MCULE-7758765050 [1,0,0,1,0,0|2,0,0]=4 525 B14R2.11625 N#CC1=C(C=CC=C1)OC[C@H]2CO2 MCULE-1109654160 [1,0,0,1,0,0|2,0,0]=4 526 B14R2.11625 N#CC1=CC=CC=C1OC[C@@H]2CO2 MCULE-3533699709 [1,0,0,1,0,0|2,0,0]=4 527 B14R2.11637 BrCC1=CC=CC2=C1OCCCO2 MCULE-1451582753 [1,0,0,1,0,0|2,0,0]=4 528 B14R2.11637 COC1=C2CCCCNC2=CC=C1 MCULE-5603985725 [1,0,0,1,0,0|2,0,0]=4 529 B14R2.11637 COC1=C2OCCNCC2=CC=C1 MCULE-4527716779 [1,0,0,1,0,0|2,0,0]=4 530 B14R2.11637 COC1=C2OCCNCC2=CC=C1 MCULE-5978154258 [1,0,0,1,0,0|2,0,0]=4 531 B14R2.11637 NCC1=C2OCCCOC2=CC=C1 MCULE-6776243300 [1,0,0,1,0,0|2,0,0]=4 532 B14R2.11637 NCC1=CC=CC2=C1OCCCO2 MCULE-8242145530 [1,0,0,1,0,0|2,0,0]=4 533 B14R2.11637 O=CC1=CC=CC2=C1OCCCO2 MCULE-6558144230 [1,0,0,1,0,0|2,0,0]=4 534 B14R2.11637 OCC1=CC=CC2=C1OCCCO2 MCULE-7044288593 [1,0,0,1,0,0|2,0,0]=4 535 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(C)O MCULE-2953379105 [1,0,0,1,0,0|1,0,1]=4 536 B14R2.450 CC1=C(OC2=C1C=CC=C2)[C@@H](C)O MCULE-8865732522 [1,0,0,1,0,0|1,0,1]=4 537 B14R2.450 CC1=C(OC2=C1C=CC=C2)[C@H](C)O MCULE-8992927430 [1,0,0,1,0,0|1,0,1]=4 538 B14R2.781 CC(=O)C1COC2=C(O1)C=CC=C2 MCULE-3616083101 [1,0,0,1,0,0|0,0,2]=4 539 B14R2.781 CC(N)C1COC2=C(O1)C=CC=C2 MCULE-3656555500 [1,0,0,1,0,0|1,0,0]=3 540 B14R2.781 CC(N)C1COC2=CC=CC=C2O1 MCULE-7674665660 [1,0,0,1,0,0|1,0,0]=3 541 B14R2.781 CC(N)C1COC2=CC=CC=C2O1 MCULE-9335587750 [1,0,0,1,0,0|1,0,0]=3 542 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 MCULE-7160477164 [1,0,0,1,0,0|0,0,2]=4 543 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 MCULE-1143196956 [1,0,0,1,0,0|0,0,2]=4 544 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 MCULE-5706531171 [1,0,0,1,0,0|0,0,2]=4 545 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2O1 MCULE-7464025157 [1,0,0,1,0,0|0,0,2]=4 546 B14R2.781 [C@@H]1(COC2=CC=CC=C2O1)C(=O)O MCULE-3941635714 [1,0,0,1,0,0|0,0,2]=4 547 B14R2.1073 COC1=C2CCC(CC2=CC=C1)N MCULE-1847791208 [1,0,0,1,0,0|2,0,0]=4 548 B14R2.1073 COC1=C2CCC(CC2=CC=C1)N MCULE-6963814105 [1,0,0,1,0,0|2,0,0]=4 549 B14R2.1073 COC1=C2CCC(CC2=CC=C1)N MCULE-8004168022 [1,0,0,1,0,0|2,0,0]=4 550 B14R2.1073 COC1=C2CCC(CC2=CC=C1)O MCULE-4325112820 [1,0,0,1,0,0|1,0,0]=3 551 B14R2.1073 COC1=C2OCC(=O)CC2=CC=C1 MCULE-1356298811 [1,0,0,1,0,0|0,0,2]=4 552 B14R2.1073 COC1=C2OCC(CC2=CC=C1)N MCULE-6359279065 [1,0,0,1,0,0|1,0,0]=3 553 B14R2.1073 COC1=C2OCC(CC2=CC=C1)N MCULE-9954753459 [1,0,0,1,0,0|1,0,0]=3 554 B14R2.1073 COC1=CC=CC2=C1CCC(C2)N MCULE-4915151489 [1,0,0,1,0,0|2,0,0]=4 555 B14R2.1073 COC1=CC=CC2=C1CC[C@@H](C2)N MCULE-2172946989 [1,0,0,1,0,0|2,0,0]=4 556 B14R2.1073 COC1=CC=CC2=C1CC[C@@H](C2)N MCULE-6119343503 [1,0,0,1,0,0|2,0,0]=4 557 B14R2.1073 COC1=CC=CC2=C1CC[C@@H](C2)N MCULE-6709386399 [1,0,0,1,0,0|2,0,0]=4 558 B14R2.1073 COC1=CC=CC2=C1CC[C@@H](C2)N MCULE-8779003802 [1,0,0,1,0,0|2,0,0]=4 559 B14R2.1073 COC1=CC=CC2=C1CC[C@H](C2)N MCULE-2542719075 [1,0,0,1,0,0|2,0,0]=4 560 B14R2.1073 COC1=CC=CC2=C1CC[C@H](C2)N MCULE-4855457859 [1,0,0,1,0,0|2,0,0]=4 561 B14R2.1073 COC1=CC=CC2=C1CC[C@H](C2)N MCULE-6347663424 [1,0,0,1,0,0|2,0,0]=4 562 B14R2.1073 COC1=CC=CC2=C1CC[C@H](C2)N MCULE-9106745633 [1,0,0,1,0,0|2,0,0]=4 563 B14R2.1073 COC1=CC=CC2=C1OCC(C2)O MCULE-9667061548 [1,0,0,1,0,0|0,0,0]=2 564 B14R2.1073 COC1=CC=CC2=C1SCC(C2)N MCULE-5520050407 [1,0,0,1,0,0|1,1,0]=4 565 B14R2.1073 COC1=CC=CC2=C1SCC(C2)N MCULE-5724085102 [1,0,0,1,0,0|1,1,0]=4 566 B14R2.2967 COC1=C(C=CC=C1)C2CC(C2)N MCULE-3697882676 [1,0,0,1,0,0|2,0,0]=4 567 B14R2.2967 COC1=C(C=CC=C1)C2CC(C2)N MCULE-6603380505 [1,0,0,1,0,0|2,0,0]=4 568 B14R2.5548 CP1(=O)COC2=C(C=CC=C2)OC1 MCULE-7398935622 [1,0,0,1,0,0|1,0,1]=4 569 B14R2.5548 O=P1(COC2=C(C=CC=C2)OC1)O MCULE-2651388584 [1,0,0,1,0,0|1,0,1]=4 570 B14R2.11677 COC1=C2CCC(C2=CC=C1)(C)O MCULE-8951223037 [1,0,0,1,0,0|1,0,0]=3 571 B14R2.294 CC1=C(C=CC=C1)OCC2CC2N MCULE-1237780672 [1,0,0,1,0,0|2,0,0]=4 572 B14R2.662 CC1=NC=CC=C1O[C@@H]2CC[C@H]2O MCULE-4840309532 [1,0,0,1,0,0|2,0,0]=4 573 B14R2.662 O[C@@H]1CC[C@H]1OC2=CC=CC=C2Cl MCULE-4360739075 [1,0,0,1,0,0|2,0,0]=4 574 B14R2.662 O[C@@H]1CC[C@H]1OC2=CC=CC=C2F MCULE-9161164948 [1,0,0,1,0,0|2,0,0]=4 575 B14R2.1801 NC1=C2OCC(OC2=CC=C1)CO MCULE-6018583393 [1,0,0,1,0,0|1,0,0]=3 576 B14R2.2973 CC1(CNC2=C(O1)C=CC=C2)CO MCULE-9630290300 [1,0,0,1,0,0|2,0,0]=4 577 B14R2.2973 CC1(COC2=CC=CC=C2O1)CN MCULE-3678860825 [1,0,0,1,0,0|2,0,0]=4 578 B14R2.2973 CC1(COC2=CC=CC=C2O1)CN MCULE-9938285242 [1,0,0,1,0,0|2,0,0]=4 579 B14R2.2973 CC1(COC2=CC=CC=C2O1)CO MCULE-5217296753 [1,0,0,1,0,0|1,0,0]=3 580 B14R2.2973 NC1(COC2=C(C1)C=CC=C2)CO MCULE-5124270801 [1,0,0,1,0,0|1,0,0]=3 581 B14R2.2973 NC1(COC2=C(C1)C=CC=C2)CO MCULE-5617229819 [1,0,0,1,0,0|1,0,0]=3 582 B14R2.2973 NCC1(CCC2=C(C1)C=CC=C2)O MCULE-7848142743 [1,0,0,1,0,0|2,0,0]=4 583 B14R2.4634 OC1=C(C=CC=C1)OCC2CCC2 MCULE-2519656419 [1,0,0,1,0,0|2,0,0]=4 584 B14R2.5632 CC1COC2=CC=CC(=C2OC1)Br MCULE-7891492918 [1,0,0,1,0,0|2,0,0]=4 585 B14R2.16843 CC1=C2CCC(C2=CC=C1)(O)CN MCULE-1763430424 [1,0,0,1,0,0|2,0,0]=4 586 B14R2.1019 CN1CC(OC2=C1C=CC=C2)CO MCULE-8707945350 [0,0,0,1,1,0|2,0,0]=4 587 B14R2.2968 COC1=C(C=CC=C1)CC2(CC2)N MCULE-3470370026 [0,0,0,1,1,0|2,0,0]=4 588 B14R2.2968 COC1=C(C=CC=C1)CC2(CC2)N MCULE-3740253103 [0,0,0,1,1,0|2,0,0]=4 589 B14R2.11647 COC1=C2OC(=CC2=CC=C1)CO MCULE-3852215563 [0,0,0,1,1,0|1,0,1]=4 590 B14R2.11684 COC1=C2CC(=O)COC2=CC=C1 MCULE-1656903131 [0,0,0,1,1,0|0,0,2]=4 591 B14R2.11684 COC1=C2CC(CCC2=CC=C1)N MCULE-6859951295 [0,0,0,1,1,0|2,0,0]=4 592 B14R2.11684 COC1=C2CC(COC2=CC=C1)N MCULE-2898762841 [0,0,0,1,1,0|1,0,0]=3 593 B14R2.11684 COC1=C2CC(COC2=CC=C1)N MCULE-6523068246 [0,0,0,1,1,0|1,0,0]=3 594 B14R2.11684 COC1=C2C[C@@H](COC2=CC=C1)N MCULE-5925170991 [0,0,0,1,1,0|1,0,0]=3 595 B14R2.11684 COC1=CC=CC2=C1CC(CC2)N MCULE-6893324150 [0,0,0,1,1,0|2,0,0]=4 596 B14R2.11684 COC1=CC=CC2=C1CC(CS2)N MCULE-7658493566 [0,0,0,1,1,0|1,1,0]=4 597 B14R2.11684 COC1=CC=CC2=C1CC(CS2)N MCULE-9880621086 [0,0,0,1,1,0|1,1,0]=4 598 B14R2.11684 COC1=CC=CC2=C1C[C@H](CC2)N MCULE-8799595667 [0,0,0,1,1,0|2,0,0]=4 599 B16R2.36502 COC1=C(C=CC=C1)OCC2CC2CN MCULE-1963294083 [0,0,0,1,0,1|2,0,0]=4 600 B16R2.36502 COC1=C(C=CC=C1)OCC2CC2CO MCULE-4847828147 [0,0,0,1,0,1|1,0,0]=3 601 B16R2.36806 COC1=C2OCC(CC2=CC=C1)C(=O)O MCULE-8112601720 [0,1,0,1,0,0|1,0,1]=4 602 B16R2.28409 CCOC1=CC=CC=C1OCC2CNC2 MCULE-5209981078 [0,1,0,1,0,0|2,0,0]=4 603 B16R2.28409 CCOC1=CC=CC=C1OCC2CNC2 MCULE-8958089325 [0,1,0,1,0,0|2,0,0]=4 604 B16R2.1480 COC1=CC=CC=C1OCC2CCNC2 MCULE-7047816170 [0,1,0,1,0,0|2,0,0]=4 605 B16R2.1480 COC1=CC=CC=C1OCC2CCNC2 MCULE-7723095790 [0,1,0,1,0,0|2,0,0]=4 606 B16R2.1480 COC1=CC=CC=C1OCC2NCCS2 MCULE-8352329876 [0,1,0,1,0,0|1,1,0]=4 607 B16R2.1480 OCC1=CC=CC=C1OCC2COCO2 MCULE-8466305460 [0,1,0,1,0,0|2,0,0]=4 608 B16R2.2451 COC1=C(C=CC=C1)CC2CCCC2O MCULE-9272046777 [0,1,0,1,0,0|2,0,0]=4 609 B16R2.7888 COC1=C(C=CC=C1)C2CC2(CN)CO MCULE-8905935702 [0,1,0,1,0,0|2,0,0]=4 610 B16R2.47435 O=C1C2=C(C=CC=C2)OCC1(CO)CO MCULE-6345475038 [0,1,0,1,0,0|2,0,0]=4 611 B16R2.6383 COC1=C(C=C(C=C1)C)NC2CCC2O MCULE-5967174992 [0,1,0,1,0,0|2,0,0]=4 612 B16R2.39023 COC1=CC=C(C=C1OCC2CNC2)Br MCULE-4811062153 [0,1,0,1,0,0|2,0,0]=4 613 B16R2.39023 COC1=CC=C(C=C1OCC2CNC2)Br MCULE-9777921922 [0,1,0,1,0,0|2,0,0]=4 614 B16R2.196401 COC1=CC=C(C=C1OCC2(CC2)N)Br MCULE-1193127938 [0,1,0,1,0,0|2,0,0]=4 615 B16R2.196401 COC1=CC=C(C=C1OCC2(CC2)N)Br MCULE-4296541073 [0,1,0,1,0,0|2,0,0]=4 616 B16R2.196401 COC1=CC=C(C=C1OCC2(CC2)N)Cl MCULE-1973688229 [0,1,0,1,0,0|2,0,0]=4 617 B16R2.196401 COC1=CC=C(C=C1OCC2(CC2)N)Cl MCULE-5924760311 [0,1,0,1,0,0|2,0,0]=4 618 B16R2.7927 COC1=CC(=CC2=C1OCC(C2)CN)Br MCULE-4066610076 [0,1,0,1,0,0|2,0,0]=4 619 B16R2.7927 COC1=CC(=CC2=C1OCC(C2)CN)Br MCULE-4228946427 [0,1,0,1,0,0|2,0,0]=4 620 B16R2.39957 COC1=C(C=CC(=C1)N)OCC2CCC2 MCULE-1727818494 [0,1,0,1,0,0|2,0,0]=4 621 B16R2.39957 COC1=C(C=CC(=C1)N)OCC2CCC2 MCULE-7530698846 [0,1,0,1,0,0|2,0,0]=4 622 B16R2.182477 COC1=CC(=CC=C1OCC2(CC2)N)Cl MCULE-1144804115 [0,1,0,1,0,0|2,0,0]=4 623 B16R2.182477 COC1=CC(=CC=C1OCC2(CC2)N)Cl MCULE-4433400914 [0,1,0,1,0,0|2,0,0]=4 624 B16R2.182477 COC1=CC(=CC=C1OCC2(CC2)N)F MCULE-5192831992 [0,1,0,1,0,0|2,0,0]=4 625 B16R2.182477 COC1=CC(=CC=C1OCC2(CC2)N)F MCULE-5675346307 [0,1,0,1,0,0|2,0,0]=4 626 B12R1.75 C=C(C)CC1=C(C=CC=C1)OC MCULE-3464380237 [1,0,0,0,1,0|1,0,1]=4 627 B12R1.75 CCC1=C(C=CC=C1)CC(C)O MCULE-6908750785 [1,0,0,0,1,0|1,0,0]=3 628 B12R1.75 COC1=C(C=CC=C1)CC(C)N MCULE-4586512912 [1,0,0,0,1,0|1,0,0]=3 629 B12R1.75 COC1=C(C=CC=C1)CC(C)N MCULE-9467872310 [1,0,0,0,1,0|1,0,0]=3 630 B12R1.75 COC1=C(C=CC=C1)CC(C)O MCULE-4641880068 [1,0,0,0,1,0|0,0,0]=2 631 B12R1.75 COC1=C(C=CC=C1)CN(C)N MCULE-1518278289 [1,0,0,0,1,0|2,0,0]=4 632 B12R1.75 COC1=C(C=CC=C1)C[C@H](C)N MCULE-6351326015 [1,0,0,0,1,0|1,0,0]=3 633 B12R1.75 COC1=C(C=CC=C1)NC(C)C MCULE-9508973317 [1,0,0,0,1,0|2,0,0]=4 634 B12R1.75 COC1=CC=CC=C1CC(=O)C MCULE-9000250723 [1,0,0,0,1,0|0,0,2]=4 635 B12R1.75 COC1=CC=CC=C1CC(=O)O MCULE-2213361181 [1,0,0,0,1,0|0,0,2]=4 636 B12R1.75 COC1=CC=CC=C1CN(C)C MCULE-2327260175 [1,0,0,0,1,0|2,0,0]=4 637 B12R1.75 COC1=CC=CC=C1C[C@@H](C)O MCULE-7229707446 [1,0,0,0,1,0|0,0,0]=2 638 B12R1.75 COC1=CC=CC=C1OC(=O)C MCULE-4116271888 [1,0,0,0,1,0|0,0,2]=4 639 B12R1.75 COC1=CC=CC=C1SC(C)C MCULE-9065366831 [1,0,0,0,1,0|1,1,0]=4 640 B12R1.75 CSC1=C(C=CC=C1)CC(C)N MCULE-6744980542 [1,0,0,0,1,0|1,1,0]=4 641 B12R1.75 CSC1=C(C=CC=C1)CC(C)N MCULE-7550903231 [1,0,0,0,1,0|1,1,0]=4 642 B12R1.75 CSC1=C(C=CC=C1)CC(C)O MCULE-5332764776 [1,0,0,0,1,0|0,1,0]=3 643 B12R1.75 CSC1=CC=CC=C1OC(C)C MCULE-7457850249 [1,0,0,0,1,0|1,1,0]=4 644 B12R1.371 CC(CO)CC1=C(C=CC=C1)F MCULE-5553190873 [1,0,0,0,1,0|2,0,0]=4 645 B12R1.371 CC1=C(C=CC=C1)CC(C)CO MCULE-1637308764 [1,0,0,0,1,0|1,0,0]=3 646 B12R1.371 CC1=C(C=CC=C1)CC(N)CO MCULE-9889011020 [1,0,0,0,1,0|1,0,0]=3 647 B12R1.371 CC1=C(C=CC=C1)OC(C)CN MCULE-8959166204 [1,0,0,0,1,0|2,0,0]=4 648 B12R1.371 CC1=CC=CC=C1C[C@H](N)CO MCULE-8760770274 [1,0,0,0,1,0|1,0,0]=3 649 B12R1.371 CCC(O)CC1=C(C=CC=C1)Br MCULE-7104310440 [1,0,0,0,1,0|2,0,0]=4 650 B12R1.371 CCC(O)CC1=CC=CC=C1Cl MCULE-4431931236 [1,0,0,0,1,0|2,0,0]=4 651 B12R1.371 CCC(O)CC1=CC=CC=C1F MCULE-9277339115 [1,0,0,0,1,0|2,0,0]=4 652 B12R1.371 NC(CO)CC1=C(C=CC=C1)I MCULE-5056532503 [1,0,0,0,1,0|2,0,0]=4 653 B12R1.371 NC(CO)CC1=CC=CC=C1Br MCULE-5118640320 [1,0,0,0,1,0|2,0,0]=4 654 B12R1.371 NC(CO)CC1=CC=CC=C1Cl MCULE-4252283498 [1,0,0,0,1,0|2,0,0]=4 655 B12R1.371 NC(CO)CC1=CC=CC=C1F MCULE-1092588093 [1,0,0,0,1,0|2,0,0]=4 656 B12R1.371 NCC(O)CC1=C(C=CC=C1)F MCULE-3559082180 [1,0,0,0,1,0|2,0,0]=4 657 B12R1.371 N[C@H](CO)CC1=CC=CC=C1Cl MCULE-4706639591 [1,0,0,0,1,0|2,0,0]=4 658 B12R1.371 N[C@H](CO)CC1=CC=CC=C1Cl MCULE-8069685181 [1,0,0,0,1,0|2,0,0]=4 659 B12R1.371 N[C@H](CO)CC1=CC=CC=C1F MCULE-2598732674 [1,0,0,0,1,0|2,0,0]=4 660 B12R1.371 N[C@H](CO)CC1=CC=CC=C1F MCULE-6628462812 [1,0,0,0,1,0|2,0,0]=4 661 B12R1.371 OC1=C(C=CC=C1)CC(Br)CBr MCULE-7447587020 [1,0,0,0,1,0|2,0,0]=4 662 B12R1.77 C#CC(O)C1=CC=CC=C1OC MCULE-4396474798 [0,0,0,0,2,0|1,0,1]=4 663 B12R1.77 CCC(N)C1=C(C=CC=C1)OC MCULE-4984661044 [0,0,0,0,2,0|2,0,0]=4 664 B12R1.77 CCC(N)C1=CC=CC=C1OC MCULE-9761033359 [0,0,0,0,2,0|2,0,0]=4 665 B12R1.77 CCC1=CC=CC=C1C(O)CC MCULE-6275447223 [0,0,0,0,2,0|2,0,0]=4 666 B12R1.77 CC[C@@H](N)C1=C(C=CC=C1)OC MCULE-1980150153 [0,0,0,0,2,0|2,0,0]=4 667 B12R1.77 CC[C@@H](N)C1=C(C=CC=C1)OC MCULE-2585980267 [0,0,0,0,2,0|2,0,0]=4 668 B12R1.77 CC[C@@H](N)C1=CC=CC=C1OC MCULE-1205405029 [0,0,0,0,2,0|2,0,0]=4 669 B12R1.77 CC[C@@H](N)C1=CC=CC=C1OC MCULE-3409594343 [0,0,0,0,2,0|2,0,0]=4 670 B12R1.77 CC[C@H](N)C1=C(C=CC=C1)OC MCULE-2195950954 [0,0,0,0,2,0|2,0,0]=4 671 B12R1.77 CC[C@H](N)C1=C(C=CC=C1)OC MCULE-6794829253 [0,0,0,0,2,0|2,0,0]=4 672 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC MCULE-1189753931 [0,0,0,0,2,0|2,0,0]=4 673 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC MCULE-8123067991 [0,0,0,0,2,0|2,0,0]=4 674 B12R1.77 COC1=C(C=CC=C1)C(=O)CO MCULE-1762963080 [0,0,0,0,2,0|0,0,2]=4 675 B12R1.77 COC1=C(C=CC=C1)C(C)CN MCULE-2613348764 [0,0,0,0,2,0|2,0,0]=4 676 B12R1.77 COC1=C(C=CC=C1)C(C)CO MCULE-6603276691 [0,0,0,0,2,0|1,0,0]=3 677 B12R1.77 COC1=C(C=CC=C1)C(N)CF MCULE-9040388981 [0,0,0,0,2,0|2,0,0]=4 678 B12R1.77 COC1=C(C=CC=C1)C(N)CN MCULE-9205997177 [0,0,0,0,2,0|2,0,0]=4 679 B12R1.77 COC1=C(C=CC=C1)C(N)CO MCULE-7452400235 [0,0,0,0,2,0|1,0,0]=3 680 B12R1.77 COC1=C(C=CC=C1)C(N)CO MCULE-8967546658 [0,0,0,0,2,0|1,0,0]=3 681 B12R1.77 COC1=C(C=CC=C1)C(N)CO MCULE-9787986713 [0,0,0,0,2,0|1,0,0]=3 682 B12R1.77 COC1=C(C=CC=C1)C(O)CN MCULE-6615159041 [0,0,0,0,2,0|1,0,0]=3 683 B12R1.77 COC1=C(C=CC=C1)C(O)CN MCULE-7686969716 [0,0,0,0,2,0|1,0,0]=3 684 B12R1.77 COC1=C(C=CC=C1)C(O)CO MCULE-7681685121 [0,0,0,0,2,0|0,0,0]=2 685 B12R1.77 COC1=C(C=CC=C1)[C@@H](N)CO MCULE-3906121324 [0,0,0,0,2,0|1,0,0]=3 686 B12R1.77 COC1=C(C=CC=C1)[C@@H](O)CBr MCULE-7897226674 [0,0,0,0,2,0|1,0,0]=3 687 B12R1.77 COC1=C(C=CC=C1)[C@H](N)CO MCULE-7914461397 [0,0,0,0,2,0|1,0,0]=3 688 B12R1.77 COC1=CC=CC=C1C(N)CO MCULE-6012093498 [0,0,0,0,2,0|1,0,0]=3 689 B12R1.77 COC1=CC=CC=C1C(O)C#N MCULE-7799233811 [0,0,0,0,2,0|1,0,1]=4 690 B12R1.77 COC1=CC=CC=C1[C@@H](N)CF MCULE-5495670894 [0,0,0,0,2,0|2,0,0]=4 691 B12R1.77 COC1=CC=CC=C1[C@@H](N)CF MCULE-9745318006 [0,0,0,0,2,0|2,0,0]=4 692 B12R1.77 COC1=CC=CC=C1[C@@H](N)CN MCULE-1222026473 [0,0,0,0,2,0|2,0,0]=4 693 B12R1.77 COC1=CC=CC=C1[C@@H](N)CN MCULE-5498866029 [0,0,0,0,2,0|2,0,0]=4 694 B12R1.77 COC1=CC=CC=C1[C@@H](N)CO MCULE-4193553089 [0,0,0,0,2,0|1,0,0]=3 695 B12R1.77 COC1=CC=CC=C1[C@@H](N)CO MCULE-8754394660 [0,0,0,0,2,0|1,0,0]=3 696 B12R1.77 COC1=CC=CC=C1[C@@H](O)CN MCULE-9788933231 [0,0,0,0,2,0|1,0,0]=3 697 B12R1.77 COC1=CC=CC=C1[C@H](N)CF MCULE-2956510375 [0,0,0,0,2,0|2,0,0]=4 698 B12R1.77 COC1=CC=CC=C1[C@H](N)CF MCULE-6748605666 [0,0,0,0,2,0|2,0,0]=4 699 B12R1.77 COC1=CC=CC=C1[C@H](N)CN MCULE-3848606546 [0,0,0,0,2,0|2,0,0]=4 700 B12R1.77 COC1=CC=CC=C1[C@H](N)CN MCULE-4362796050 [0,0,0,0,2,0|2,0,0]=4 701 B12R1.77 COC1=CC=CC=C1[C@H](N)CO MCULE-6507988441 [0,0,0,0,2,0|1,0,0]=3 702 B12R1.77 COC1=CC=CC=C1[C@H](N)CO MCULE-6636571360 [0,0,0,0,2,0|1,0,0]=3 703 B12R1.77 COC1=CC=CC=C1[C@H](N)CO MCULE-7050295102 [0,0,0,0,2,0|1,0,0]=3 704 B12R1.77 COC1=CC=CC=C1[C@H](O)CN MCULE-4560039625 [0,0,0,0,2,0|1,0,0]=3 705 B12R1.77 CSC1=C(C=CC=C1)C(N)CO MCULE-5725576236 [0,0,0,0,2,0|1,1,0]=4 706 B12R1.77 CSC1=CC=CC=C1C(N)CO MCULE-5933770424 [0,0,0,0,2,0|1,1,0]=4 707 B12R1.77 CSC1=CC=CC=C1[C@@H](N)CO MCULE-4320383876 [0,0,0,0,2,0|1,1,0]=4 708 B12R1.77 CSC1=CC=CC=C1[C@@H](N)CO MCULE-5286839769 [0,0,0,0,2,0|1,1,0]=4 709 B12R1.77 [C@H](N)(CO)C1=CC=CC=C1OC MCULE-7516733225 [0,0,0,0,2,0|1,0,0]=3 710 B16R1.3910 CCC(C)NCCOC1=CC=CC=C1OC MCULE-5496771863 [0,0,0,0,0,2|2,0,0]=4 711 B16R1.3910 CCC(C)NCCOC1=CC=CC=C1OC MCULE-6370436902 [0,0,0,0,0,2|2,0,0]=4