0 B12R1.3862 C#CC1(CCCCC1)NC(=O)C MCULE-1647999894 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.3862 C#CC1(CCCCC1)NC(=O)N MCULE-5077005697 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.3862 C#CC1(CCCCC1)OC(=O)N MCULE-2780446623 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.3862 C=CC1(CCCCC1)CC(=O)O MCULE-4180815907 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.3862 C=CC1(CCOCC1)CC(=O)O MCULE-6161182720 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.3862 CC(=O)CC1(CCOCC1)C#N MCULE-8934219143 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.3862 CC(=O)NC1(CCCCC1)C#N MCULE-6563066219 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.3862 CC(C)CC1(CCCCC1)CO MCULE-5938012638 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.3862 CC(C)CC1(CCOCC1)CN MCULE-1435620125 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.3862 CC(C)CC1(CCOCC1)CN MCULE-3851660004 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.3862 CC(C)OC1(CCCCC1)CN MCULE-8480373925 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.3862 CCC1(CCOCC1)CC(=O)O MCULE-1274569934 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.3862 CN(C)CC1(CCCCC1)CO MCULE-3758986006 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.3862 CNC1(CCCCC1)CC(=O)O MCULE-1231263579 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.3862 CNC1(CCCCC1)CC(=O)O MCULE-9425170049 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.3862 N#CC1(CCCCC1)CC(=O)O MCULE-7945776155 [0,0,0,0,0,0|0,0,2]=2 16 B12R1.3862 N#CC1(CCOCC1)CC(=O)O MCULE-6362533888 [0,0,0,0,0,0|1,0,2]=3 17 B12R1.3862 NCC1(CCCCC1)CC(=O)N MCULE-6032002626 [0,0,0,0,0,0|1,0,0]=1 18 B12R1.3862 NCC1(CCCCC1)CC(=O)N MCULE-9141931500 [0,0,0,0,0,0|1,0,0]=1 19 B12R1.3862 NCC1(CCCCC1)CC(=O)O MCULE-4071359359 [0,0,0,0,0,0|0,0,0]=0 20 B12R1.3862 NCC1(CCCCC1)CC(=O)O MCULE-5392848565 [0,0,0,0,0,0|0,0,0]=0 21 B12R1.3862 NCC1(CCOCC1)CC(=O)O MCULE-6787867866 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.3862 NCC1(CCOCC1)CC(=O)O MCULE-6947108641 [0,0,0,0,0,0|1,0,0]=1 23 B12R1.3862 O=C(O)CC1(CCCCC1)CO MCULE-7582955995 [0,0,0,0,0,0|1,0,0]=1 24 B12R1.3862 O=C([O-])CC1(CCCCC1)CO MCULE-2058287343 [0,0,0,0,0,0|1,0,1]=2 25 B11R1.928 CC(=O)NC1(CCCCC1)C MCULE-7381251920 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.928 CC1(CCCCC1)CC(=O)O MCULE-7882506747 [1,0,0,0,0,0|0,0,0]=1 27 B11R1.928 CC1(CCNCC1)CC(=O)O MCULE-5814680905 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.928 CC1(CCNCC1)CC(=O)O MCULE-6867782906 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.928 CC1(CCOCC1)CC(=O)O MCULE-4326857569 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.928 NC(=O)CC1(CCCCC1)N MCULE-4039201792 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.928 NC(=O)CC1(CCCCC1)N MCULE-4397477502 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.928 NC(=O)CC1(CCOCC1)O MCULE-2274031774 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-1663310557 [1,0,0,0,0,0|0,0,0]=1 34 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-2879076377 [1,0,0,0,0,0|0,0,0]=1 35 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-5652559264 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-6139247914 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-1850281708 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-2706982629 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.928 NC1(CCSCC1)CC(=O)O MCULE-9758860021 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.928 O=C(O)CC1(CCCCC1)O MCULE-3422507323 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.928 O=C(O)CC1(CCCOC1)O MCULE-4776333020 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.928 O=C(O)CC1(CCNCC1)O MCULE-2683625220 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.928 O=C(O)CC1(CCNCC1)O MCULE-8049713319 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.928 O=C(O)CC1(CCOCC1)O MCULE-8349755612 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.928 O=N(=O)CC1(CCCCC1)O MCULE-5459511238 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.1253 C=CCC1(CCCCC1)C=O MCULE-7220621801 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.1253 C=CCC1(CCCCC1)CO MCULE-2628130334 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.1253 C=CCC1(CCCNC1)CO MCULE-6149111666 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.1253 C=CCC1(CCOCC1)CO MCULE-6097575687 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.1253 COCC1(CCCCC1)CN MCULE-4740147238 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.1253 COCC1(CCCCC1)CO MCULE-2726643980 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.1253 COCC1(CCCCO1)CN MCULE-4150738199 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.1253 COCC1(CCOCC1)CN MCULE-1464572556 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.1253 COCC1(CCOCC1)CN MCULE-9629611769 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.1253 N#CC1(CCCCC1)NC=O MCULE-7189277449 [1,0,0,0,0,0|1,0,2]=4 56 B11R1.1253 N#CCC1(CCCCC1)CN MCULE-5580186084 [1,0,0,0,0,0|1,0,1]=3 57 B11R1.1253 N#CCC1(CCCCC1)CN MCULE-8617044509 [1,0,0,0,0,0|1,0,1]=3 58 B11R1.1253 NCC1(CCCCC1)CCO MCULE-8477999179 [1,0,0,0,0,0|0,0,1]=2 59 B11R1.1253 NCC1(CCOCC1)CCO MCULE-6550453660 [1,0,0,0,0,0|1,0,1]=3 60 B11R1.1253 OCCC1(CCCCC1)CO MCULE-1907667363 [1,0,0,0,0,0|1,0,1]=3 61 B13R1.4942 C#CC1(CCCCC1)OC(=O)OC MCULE-8279815194 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.4942 C=CC(=O)OC1(CCCCC1)CC MCULE-8708164268 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.4942 CNC(=O)CC1(CCCCC1)CN MCULE-6848456813 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.4942 CNC(=O)CC1(CCCCC1)CN MCULE-9074780579 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.4942 COC(=O)CC1(CCCCC1)CN MCULE-2727579133 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.4942 COC(=O)CC1(CCCCC1)CN MCULE-4439928687 [0,1,0,0,0,0|0,0,0]=1 67 B13R1.4942 COC(=O)CC1(CCOCC1)CN MCULE-7421287612 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.4942 COC(=O)CC1(CCOCC1)CN MCULE-7762199883 [0,1,0,0,0,0|1,0,0]=2 69 B13R1.4942 NCC1(CCCCC1)CC(=O)NN MCULE-5452143663 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.6672 CC(C)(O)CC1(CCCCC1)CO MCULE-1975862775 [0,1,0,0,0,0|2,0,1]=4 71 B13R1.6672 CS(=O)(=O)NC1(CCCCC1)CN MCULE-9450497892 [0,1,0,0,0,0|2,0,1]=4 72 B13R1.6672 CS(=O)(=O)NC1(CCCCC1)CN MCULE-9696146063 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.6672 NCC1(CCCCC1)CC(F)(F)F MCULE-1992469568 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.7334 C#CCC1(CCCCC1)OC(=O)N MCULE-2314968708 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.7334 COCC1(CCOCC1)CC(=O)O MCULE-3594115440 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.7334 NCCC1(CCCCC1)CC(=O)O MCULE-2025274324 [0,1,0,0,0,0|0,0,0]=1 77 B13R1.7334 NCCC1(CCCCC1)CC(=O)O MCULE-2530858590 [0,1,0,0,0,0|0,0,0]=1 78 B13R1.8842 O=C(O)CC1(CCCCC1)C(=O)O MCULE-6154591690 [0,1,0,0,0,0|1,0,1]=3 79 B13R1.8842 O=C(O)CC1(CCOCC1)C(=O)O MCULE-6497376775 [0,1,0,0,0,0|2,0,1]=4 80 B11R0.77 C=C(C)CC(CC)CCCCC MCULE-2003919155 [0,0,1,0,0,0|3,0,0]=4 81 B11R0.77 CCCCCC(CC)CC(=O)O MCULE-4021687044 [0,0,1,0,0,0|1,0,0]=2 82 B13R2.437 CC(C)C1NCC12CCCCC2 MCULE-2253910813 [0,0,0,1,0,0|2,0,1]=4 83 B13R2.437 O=C(O)C1CCC12CCOCC2 MCULE-3586385235 [0,0,0,1,0,0|2,0,0]=3 84 B13R2.437 O=C(O)C1NCC12CCOCC2 MCULE-3634033812 [0,0,0,1,0,0|1,0,0]=2 85 B13R2.437 O=C(O)C1NCC12CCOCC2 MCULE-4318170624 [0,0,0,1,0,0|1,0,0]=2 86 B13R2.2363 O=C1C[C@H]2CCCC[C@@]2(O1)CI MCULE-7491338706 [0,0,0,1,0,0|3,0,0]=4 87 B13R2.4014 C=C1OC(=O)OC12CCCCC2 MCULE-9030620049 [0,0,0,1,0,0|2,0,1]=4 88 B13R2.4014 O=C1CC2(CCCCC2)C(=O)N1 MCULE-5092726462 [0,0,0,1,0,0|2,0,1]=4 89 B13R2.4014 O=C1CC2(CCCCC2)C(=O)O1 MCULE-4319354097 [0,0,0,1,0,0|1,0,1]=3 90 B13R2.4014 O=C1CC2(CCOCC2)C(=O)O1 MCULE-8255660538 [0,0,0,1,0,0|2,0,1]=4 91 B13R2.4014 O=C1NC2(CCCCC2)C(=O)O1 MCULE-9769544984 [0,0,0,1,0,0|2,0,1]=4 92 B13R2.11128 O=C1CC2(CCNCC2)CCN1 MCULE-1443203017 [0,0,0,1,0,0|3,0,0]=4 93 B13R2.11128 O=C1CC2(CCNCC2)CCN1 MCULE-3104946449 [0,0,0,1,0,0|3,0,0]=4 94 B13R2.11128 O=C1CC2(CCNCC2)CCN1 MCULE-8288660862 [0,0,0,1,0,0|3,0,0]=4 95 B13R2.11128 O=C1CCCC2(C1)CCCCC2 MCULE-3281261596 [0,0,0,1,0,0|2,0,0]=3 96 B13R2.11128 O=C1CCCC2(C1)CCOCC2 MCULE-7735305722 [0,0,0,1,0,0|3,0,0]=4 97 B13R2.11128 O=C1CCNC2(C1)CCCCC2 MCULE-3217120492 [0,0,0,1,0,0|3,0,0]=4 98 B13R2.11128 O=C1CCNC2(C1)CCCCC2 MCULE-8293573385 [0,0,0,1,0,0|3,0,0]=4 99 B13R2.11128 O=C1CCOC2(C1)CCCCC2 MCULE-1198662310 [0,0,0,1,0,0|3,0,0]=4 100 B13R2.11128 O=C1NC2(CCCNC2)CCO1 MCULE-4454658794 [0,0,0,1,0,0|3,0,0]=4 101 B13R2.11128 O=C1NC2(CCNCC2)CCO1 MCULE-1167512176 [0,0,0,1,0,0|3,0,0]=4 102 B13R2.11128 OC1CNCC2(C1)CCNCC2 MCULE-6802243377 [0,0,0,1,0,0|2,0,1]=4 103 B13R2.11128 OC1CNCC2(C1)CCNCC2 MCULE-7869836685 [0,0,0,1,0,0|2,0,1]=4 104 B13R2.11128 OC1CNCC2(C1)CCOCC2 MCULE-6831775223 [0,0,0,1,0,0|2,0,1]=4 105 B13R2.11128 OC1CNCC2(C1)CCOCC2 MCULE-8683930819 [0,0,0,1,0,0|2,0,1]=4 106 B13R2.23344 O=C(O)CC12CCC(CC1)CC2 MCULE-9790528588 [0,0,0,1,0,0|1,0,0]=2 107 B11R1.1062 CC(C)CC1(CCCC1)CN MCULE-7789000320 [0,0,0,0,1,0|2,0,1]=4 108 B11R1.1062 CCC1(CCCC1)NC(=O)C MCULE-2534167271 [0,0,0,0,1,0|3,0,0]=4 109 B11R1.1062 CN(C)CC1(CCCC1)CN MCULE-5113589985 [0,0,0,0,1,0|3,0,0]=4 110 B11R1.1062 NCC1(CCCC1)CC(=O)O MCULE-3599384170 [0,0,0,0,1,0|0,0,0]=1 111 B11R1.1062 NCC1(CCCC1)CC(=O)O MCULE-8108091315 [0,0,0,0,1,0|0,0,0]=1 112 B11R1.1074 CCC1(CCCCC1)C(=O)O MCULE-1239882099 [0,0,0,0,1,0|1,0,0]=2 113 B11R1.1074 CCC1(CCCCN1)C(=O)O MCULE-3363810836 [0,0,0,0,1,0|2,0,0]=3 114 B11R1.1074 CCC1(CCCCN1)C(=O)O MCULE-3511835420 [0,0,0,0,1,0|2,0,0]=3 115 B11R1.1074 CCC1(CCCNC1)C(=O)N MCULE-1504498322 [0,0,0,0,1,0|3,0,0]=4 116 B11R1.1074 CCC1(CCCNC1)C(=O)N MCULE-3364775133 [0,0,0,0,1,0|3,0,0]=4 117 B11R1.1074 CCC1(CCCNC1)C(=O)O MCULE-4082709895 [0,0,0,0,1,0|2,0,0]=3 118 B11R1.1074 CCC1(CCCNC1)C(=O)O MCULE-4330535403 [0,0,0,0,1,0|2,0,0]=3 119 B11R1.1074 CCC1(CCNCC1)C(=O)N MCULE-3957031995 [0,0,0,0,1,0|3,0,0]=4 120 B11R1.1074 CCC1(CCNCC1)C(=O)N MCULE-7799942946 [0,0,0,0,1,0|3,0,0]=4 121 B11R1.1074 CCC1(CCNCC1)C(=O)O MCULE-1398986416 [0,0,0,0,1,0|2,0,0]=3 122 B11R1.1074 CCC1(CCNCC1)C(=O)O MCULE-8638291608 [0,0,0,0,1,0|2,0,0]=3 123 B11R1.1074 CCC1(CCOCC1)C(=O)O MCULE-8667730132 [0,0,0,0,1,0|2,0,0]=3 124 B11R1.1074 CCC1(COCCN1)C(=O)O MCULE-7441313827 [0,0,0,0,1,0|3,0,0]=4 125 B11R1.1074 CCC1(COCOC1)C(=O)O MCULE-8515251768 [0,0,0,0,1,0|3,0,0]=4 126 B11R1.1074 CCC1(SCCCS1)C(=O)O MCULE-3611309990 [0,0,0,0,1,0|3,0,0]=4 127 B11R1.1074 CN(C)C1(CCCCC1)CN MCULE-1696786543 [0,0,0,0,1,0|3,0,0]=4 128 B11R1.1074 CN(C)C1(CCCCC1)CN MCULE-6725195899 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.1074 CN(C)C1(CCCCC1)CN MCULE-6995007194 [0,0,0,0,1,0|3,0,0]=4 130 B11R1.1074 CNC1(CCCCC1)C(=O)O MCULE-7399184595 [0,0,0,0,1,0|2,0,0]=3 131 B11R1.1074 CNC1(CCOCC1)C(=O)O MCULE-3359408926 [0,0,0,0,1,0|3,0,0]=4 132 B11R1.1074 CNC1(CCOCC1)C(=O)O MCULE-4436067730 [0,0,0,0,1,0|3,0,0]=4 133 B11R1.1074 CNC1(CCSCC1)C(=O)O MCULE-5303303431 [0,0,0,0,1,0|3,0,0]=4 134 B11R1.1074 COC1(CCCCC1)C(=O)C MCULE-4191142379 [0,0,0,0,1,0|3,0,0]=4 135 B11R1.1074 COC1(CCCCC1)C(=O)O MCULE-1591494554 [0,0,0,0,1,0|2,0,0]=3 136 B11R1.1074 COC1(CCCNC1)C(=O)O MCULE-7763705716 [0,0,0,0,1,0|3,0,0]=4 137 B11R1.1074 COC1(CCCNC1)C(=O)O MCULE-9595367468 [0,0,0,0,1,0|3,0,0]=4 138 B11R1.1074 COC1(CCNCC1)C(=O)O MCULE-1300106015 [0,0,0,0,1,0|3,0,0]=4 139 B11R1.1074 COC1(CCNCC1)C(=O)O MCULE-7196776076 [0,0,0,0,1,0|3,0,0]=4 140 B11R1.1074 COC1(CCOCC1)C(=O)O MCULE-1535370902 [0,0,0,0,1,0|3,0,0]=4 141 B11R1.1074 N#CC1(CCCCC1)C(=O)O MCULE-2346110250 [0,0,0,0,1,0|0,0,2]=3 142 B11R1.1074 N#CC1(CCCOC1)C(=O)O MCULE-2226541127 [0,0,0,0,1,0|1,0,2]=4 143 B11R1.1074 N#CC1(CCNCC1)C(=O)O MCULE-7981587223 [0,0,0,0,1,0|1,0,2]=4 144 B11R1.1074 N#CC1(CCNCC1)C(=O)O MCULE-8603071721 [0,0,0,0,1,0|1,0,2]=4 145 B11R1.1074 N#CC1(CCOCC1)C(=O)O MCULE-1172521926 [0,0,0,0,1,0|1,0,2]=4 146 B11R1.1074 N#CC1(CCSCC1)C(=O)O MCULE-3118110353 [0,0,0,0,1,0|1,0,2]=4 147 B11R1.1074 NCC1(CCCCC1)C(=O)O MCULE-6540997661 [0,0,0,0,1,0|0,0,0]=1 148 B11R1.1074 NCC1(CCCCC1)C(=O)O MCULE-8691521129 [0,0,0,0,1,0|0,0,0]=1 149 B11R1.1074 NCC1(CCCOC1)C(=O)O MCULE-1802610214 [0,0,0,0,1,0|1,0,0]=2 150 B11R1.1074 NCC1(CCCOC1)C(=O)O MCULE-5207801423 [0,0,0,0,1,0|1,0,0]=2 151 B11R1.1074 NCC1(CCOCC1)C(=O)N MCULE-7556510912 [0,0,0,0,1,0|2,0,0]=3 152 B11R1.1074 NCC1(CCOCC1)C(=O)O MCULE-3943984495 [0,0,0,0,1,0|1,0,0]=2 153 B11R1.1074 NCC1(CCOCC1)C(=O)O MCULE-4788693444 [0,0,0,0,1,0|1,0,0]=2 154 B11R1.1074 O=C(O)C1(CCCCC1)CO MCULE-2836039300 [0,0,0,0,1,0|1,0,0]=2 155 B11R1.1074 O=C(O)C1(CCOCC1)CF MCULE-8551611962 [0,0,0,0,1,0|2,0,0]=3 156 B11R1.1074 O=C(O)C1(CCOCC1)CO MCULE-6309166747 [0,0,0,0,1,0|2,0,0]=3 157 B11R1.1074 O=N(=O)C1(CCCCC1)CO MCULE-4678380705 [0,0,0,0,1,0|2,0,1]=4 158 B10R0.6 C=C(C)CC(C)CCCCC MCULE-9311251673 [1,0,1,0,0,0|2,0,0]=4 159 B10R0.6 CCCCCC(C)CC(=O)C MCULE-9366517192 [1,0,1,0,0,0|1,0,0]=3 160 B10R0.6 CCCCCC(C)CC(=O)O MCULE-2066533125 [1,0,1,0,0,0|0,0,0]=2 161 B10R0.6 CCCCCC(C)OC(=O)Cl MCULE-6347220296 [1,0,1,0,0,0|2,0,0]=4 162 B10R0.6 CCCCCC(N)CC(=O)O MCULE-1332766356 [1,0,1,0,0,0|0,0,0]=2 163 B10R0.6 CCCCCC(N)CC(=O)O MCULE-6217126659 [1,0,1,0,0,0|0,0,0]=2 164 B10R0.6 CCCCCC(O)CC(=O)O MCULE-4825961688 [1,0,1,0,0,0|1,0,0]=3 165 B10R0.6 CCCCC[C@@H](O)CC(=O)O MCULE-2570880673 [1,0,1,0,0,0|1,0,0]=3 166 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-3222730819 [1,0,1,0,0,0|1,0,0]=3 167 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-6407518730 [1,0,1,0,0,0|1,0,0]=3 168 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-4895569973 [1,0,1,0,0,0|1,0,0]=3 169 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-7821167225 [1,0,1,0,0,0|1,0,0]=3 170 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-8763571530 [1,0,1,0,0,0|1,0,0]=3 171 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-9870503005 [1,0,1,0,0,0|1,0,0]=3 172 B10R0.24 C=CCC(CC)CCCCC MCULE-3685970860 [1,0,1,0,0,0|2,0,0]=4 173 B10R0.24 CCCCCC(CC)CCO MCULE-1248981110 [1,0,1,0,0,0|1,0,1]=4 174 B10R0.87 CCCCC(CC)CC(=O)C MCULE-4325342616 [1,0,1,0,0,0|2,0,0]=4 175 B10R0.87 CCCCC(CC)CC(=O)O MCULE-3612456700 [1,0,1,0,0,0|1,0,0]=3 176 B10R0.102 C=C(C)CC(C)(CC)CCC MCULE-8577868292 [1,0,1,0,0,0|2,0,0]=4 177 B10R0.122 C=C(C)CC(C)(C)CCCC MCULE-3861122001 [1,0,1,0,0,0|2,0,0]=4 178 B10R1.18 CC(=O)CC1CCCCC1 MCULE-4557008527 [2,0,0,0,0,0|1,0,0]=3 179 B10R1.18 CC(=O)CC1CCCCN1 MCULE-1827771795 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.18 CC(=O)CC1CCCCN1 MCULE-9317294757 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.18 CC(=O)CC1CCCCO1 MCULE-1058487646 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.18 CC(=O)CC1CCCOC1 MCULE-4781249046 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.18 CC(=O)CC1CCNCC1 MCULE-3381787603 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.18 CC(=O)CC1CCNCC1 MCULE-3485224360 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.18 CC(=O)CC1CCOCC1 MCULE-6845890561 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.18 CC(=O)CN1CCCCC1 MCULE-2519145455 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.18 CC(=O)CN1CCCCC1 MCULE-8358959341 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.18 CC(=O)C[C@H]1CCCCN1 MCULE-2330430389 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.18 CC(=O)NC1CCCCC1 MCULE-8353778142 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.18 CC(=O)OC1CCCCC1 MCULE-8221153491 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.18 C[C@@H](O)CC1CCCCC1 MCULE-4273662766 [2,0,0,0,0,0|1,0,1]=4 192 B10R1.18 C[C@H](O)CC1CCCCC1 MCULE-7528064890 [2,0,0,0,0,0|1,0,1]=4 193 B10R1.18 N=C(N)CC1CCCCC1 MCULE-8473334050 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.18 N=C(N)CC1CCCCC1 MCULE-9393856468 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.18 NC(=O)CC1CCCCC1 MCULE-4951525688 [2,0,0,0,0,0|1,0,0]=3 196 B10R1.18 NC(=O)CC1CCCCN1 MCULE-2185479052 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.18 NC(=O)CC1CCCCN1 MCULE-4538477610 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.18 NC(=O)CC1CCCNC1 MCULE-9261260462 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.18 NC(=O)CC1CCCNC1 MCULE-9756580933 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.18 NC(=O)CC1CCNCC1 MCULE-4391382932 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.18 NC(=O)CC1CCNCC1 MCULE-4639158092 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.18 NC(=O)CC1CCOCC1 MCULE-6220113088 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.18 NC(=O)CN1CCCCC1 MCULE-5267943459 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.18 NC(=O)NC1CCCCC1 MCULE-8036346010 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.18 NC(=O)OC1CCCCC1 MCULE-3235010863 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.18 NC(=S)CC1CCCCC1 MCULE-2529176221 [2,0,0,0,0,0|1,1,0]=4 207 B10R1.18 O=C(Cl)CC1CCCCC1 MCULE-2220383860 [2,0,0,0,0,0|1,0,0]=3 208 B10R1.18 O=C(Cl)CC1CCOCC1 MCULE-6068907888 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.18 O=C(Cl)OC1CCCCC1 MCULE-4011557961 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.18 O=C(O)C=C1CCCCC1 MCULE-2830279446 [2,0,0,0,0,0|0,0,2]=4 211 B10R1.18 O=C(O)CC1=CCCCC1 MCULE-9909477927 [2,0,0,0,0,0|0,0,2]=4 212 B10R1.18 O=C(O)CC1C=CCCC1 MCULE-3207533436 [2,0,0,0,0,0|0,0,2]=4 213 B10R1.18 O=C(O)CC1CC=CCC1 MCULE-3427584067 [2,0,0,0,0,0|0,0,2]=4 214 B10R1.18 O=C(O)CC1CCCCC1 MCULE-3370925166 [2,0,0,0,0,0|0,0,0]=2 215 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7593127940 [2,0,0,0,0,0|1,0,0]=3 216 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7653711252 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.18 O=C(O)CC1CCCCO1 MCULE-2711682647 [2,0,0,0,0,0|1,0,0]=3 218 B10R1.18 O=C(O)CC1CCCNC1 MCULE-3254470591 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.18 O=C(O)CC1CCCNC1 MCULE-7958803985 [2,0,0,0,0,0|1,0,0]=3 220 B10R1.18 O=C(O)CC1CCCOC1 MCULE-5877605158 [2,0,0,0,0,0|1,0,0]=3 221 B10R1.18 O=C(O)CC1CCNCC1 MCULE-1130327966 [2,0,0,0,0,0|1,0,0]=3 222 B10R1.18 O=C(O)CC1CCNCC1 MCULE-2100213856 [2,0,0,0,0,0|1,0,0]=3 223 B10R1.18 O=C(O)CC1CCOCC1 MCULE-7878329119 [2,0,0,0,0,0|1,0,0]=3 224 B10R1.18 O=C(O)CC1CCSCC1 MCULE-3567762107 [2,0,0,0,0,0|1,0,0]=3 225 B10R1.18 O=C(O)CC1CNCCN1 MCULE-5141588986 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3058504133 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3387061328 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4327756750 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4883251317 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.18 O=C(O)CC1COCCN1 MCULE-4486190659 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.18 O=C(O)CC1COCCN1 MCULE-8010316572 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.18 O=C(O)CC1COCCO1 MCULE-8632741098 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.18 O=C(O)CC1CSCCS1 MCULE-4793456872 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.18 O=C(O)CC1OCCCO1 MCULE-1471723881 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9137136186 [2,0,0,0,0,0|1,0,0]=3 236 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9769416161 [2,0,0,0,0,0|1,0,0]=3 237 B10R1.18 O=C(O)CN1CCNCC1 MCULE-4945447446 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.18 O=C(O)CN1CCNCC1 MCULE-6990903527 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.18 O=C(O)CN1CCNCC1 MCULE-8811795576 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.18 O=C(O)CN1CCOCC1 MCULE-2955270234 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.18 O=C(O)CN1CCOCC1 MCULE-5710414541 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.18 O=C(O)CN1CCSCC1 MCULE-9107067895 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.18 O=C(O)CN1CCSCC1 MCULE-9299535292 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.18 O=C(O)C[C@@H]1CC=CCC1 MCULE-6316447839 [2,0,0,0,0,0|0,0,2]=4 245 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-3905830299 [2,0,0,0,0,0|1,0,0]=3 246 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-5277218457 [2,0,0,0,0,0|1,0,0]=3 247 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-7510387772 [2,0,0,0,0,0|1,0,0]=3 248 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-5325818659 [2,0,0,0,0,0|1,0,0]=3 249 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-7001078313 [2,0,0,0,0,0|1,0,0]=3 250 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-8120215253 [2,0,0,0,0,0|1,0,0]=3 251 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-9602652995 [2,0,0,0,0,0|1,0,0]=3 252 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4498530905 [2,0,0,0,0,0|2,0,0]=4 253 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4549445854 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-5055136882 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-7244079860 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-2046760558 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-4473145834 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-5100169676 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-3680996115 [2,0,0,0,0,0|1,0,0]=3 260 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-4674662417 [2,0,0,0,0,0|1,0,0]=3 261 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-1302740697 [2,0,0,0,0,0|1,0,0]=3 262 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-2509529219 [2,0,0,0,0,0|1,0,0]=3 263 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-3753473259 [2,0,0,0,0,0|1,0,0]=3 264 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-9619904988 [2,0,0,0,0,0|1,0,0]=3 265 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-1832902178 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5015018730 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5838446318 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-9119322865 [2,0,0,0,0,0|2,0,0]=4 269 B10R1.18 O=C(O)C[C@H]1COCCN1 MCULE-8571286067 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.18 O=C(O)C[C@H]1COCCN1 MCULE-9555376320 [2,0,0,0,0,0|2,0,0]=4 271 B10R1.18 O=C(O)NC1CCCCC1 MCULE-5645794848 [2,0,0,0,0,0|1,0,0]=3 272 B10R1.18 O=P(O)CN1CCCCC1 MCULE-5899780033 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.18 OB(O)CC1CCCCC1 MCULE-6141319242 [2,0,0,0,0,0|1,0,1]=4 274 B10R1.377 C#CCC1(CCCCC1)N MCULE-2141800312 [2,0,0,0,0,0|1,0,1]=4 275 B10R1.377 C#CCC1(CCCCC1)N MCULE-5004619227 [2,0,0,0,0,0|1,0,1]=4 276 B10R1.377 C=CCC1(CCCCC1)N MCULE-1008545775 [2,0,0,0,0,0|1,0,0]=3 277 B10R1.377 C=CCC1(CCCCC1)O MCULE-2678449677 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.377 C=CCC1(CCOCC1)N MCULE-4847163192 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.377 CCCC1(CCCCC1)N MCULE-7817834233 [2,0,0,0,0,0|1,0,1]=4 280 B10R1.377 COCC1(CCCCC1)N MCULE-7837172163 [2,0,0,0,0,0|2,0,0]=4 281 B10R1.377 C[N+]1(CCCCC1)CCO MCULE-2551999599 [2,0,0,0,0,0|1,0,1]=4 282 B10R1.377 C[N+]1(CCCCC1)CCO MCULE-3750654309 [2,0,0,0,0,0|1,0,1]=4 283 B10R1.377 N#CCC1(CCCCC1)N MCULE-5688075637 [2,0,0,0,0,0|1,0,1]=4 284 B10R1.377 NC1(CCCCC1)CCO MCULE-3628027958 [2,0,0,0,0,0|0,0,1]=3 285 B10R1.377 NC1(CCCCC1)CCO MCULE-5301492335 [2,0,0,0,0,0|0,0,1]=3 286 B10R1.377 NC1(CCCSC1)CCO MCULE-9959430136 [2,0,0,0,0,0|1,0,1]=4 287 B10R1.377 NC1(CCOCC1)CCO MCULE-2934283253 [2,0,0,0,0,0|1,0,1]=4 288 B10R1.377 NC1(CCOCC1)CCO MCULE-7122797119 [2,0,0,0,0,0|1,0,1]=4 289 B10R1.377 O=CCC1(CCOCC1)O MCULE-1529294494 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.377 OCCC1(CCCCC1)O MCULE-1396342033 [2,0,0,0,0,0|1,0,1]=4 291 B10R1.487 BrCC1(CCCCC1)CBr MCULE-2528081983 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.487 CCC1(CCCCC1)CN MCULE-4769827229 [2,0,0,0,0,0|0,0,1]=3 293 B10R1.487 CCC1(CCCNC1)CO MCULE-6591194281 [2,0,0,0,0,0|2,0,0]=4 294 B10R1.487 CCC1(CCCNC1)CO MCULE-9271145315 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.487 CCC1(CCNCC1)CO MCULE-6336290340 [2,0,0,0,0,0|2,0,0]=4 296 B10R1.487 CCC1(CCNCC1)CO MCULE-7869895864 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.487 CCC1(CCOCC1)CN MCULE-3030812583 [2,0,0,0,0,0|1,0,1]=4 298 B10R1.487 CCC1(CCOCC1)CN MCULE-6055445394 [2,0,0,0,0,0|1,0,1]=4 299 B10R1.487 CCC1(CCOCC1)CO MCULE-6335178539 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.487 CNC1(CCCCC1)CN MCULE-5101210458 [2,0,0,0,0,0|1,0,1]=4 301 B10R1.487 CNC1(CCCCC1)CO MCULE-2878521476 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.487 CNC1(CCCCC1)CO MCULE-7291157208 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.487 COC1(CCCCC1)C=O MCULE-3270143141 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.487 COC1(CCCCC1)CN MCULE-6817153076 [2,0,0,0,0,0|1,0,1]=4 305 B10R1.487 COC1(CCCCC1)CN MCULE-8837640864 [2,0,0,0,0,0|1,0,1]=4 306 B10R1.487 COC1(CCCCC1)CO MCULE-5194988278 [2,0,0,0,0,0|2,0,0]=4 307 B10R1.487 CSC1(CCCCC1)CN MCULE-1859636540 [2,0,0,0,0,0|1,0,1]=4 308 B10R1.487 CSC1(CCCCC1)CN MCULE-6441452905 [2,0,0,0,0,0|1,0,1]=4 309 B10R1.487 N#CC1(CCCCC1)CN MCULE-1245208579 [2,0,0,0,0,0|1,0,1]=4 310 B10R1.487 N#CC1(CCCCC1)CN MCULE-2899566464 [2,0,0,0,0,0|1,0,1]=4 311 B10R1.487 N#CC1(CCCCC1)CO MCULE-3295676775 [2,0,0,0,0,0|0,0,2]=4 312 B10R1.487 NCC1(CCCCC1)CN MCULE-2769030150 [2,0,0,0,0,0|1,0,0]=3 313 B10R1.487 NCC1(CCCCC1)CO MCULE-2307493796 [2,0,0,0,0,0|0,0,0]=2 314 B10R1.487 NCC1(CCCCC1)CO MCULE-6025330717 [2,0,0,0,0,0|0,0,0]=2 315 B10R1.487 NCC1(CCOCC1)CF MCULE-2024018869 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.487 NCC1(CCOCC1)CF MCULE-5701959782 [2,0,0,0,0,0|2,0,0]=4 317 B10R1.487 NCC1(CCOCC1)CN MCULE-5513205884 [2,0,0,0,0,0|2,0,0]=4 318 B10R1.487 NCC1(CCOCC1)CN MCULE-8920417869 [2,0,0,0,0,0|2,0,0]=4 319 B10R1.487 NCC1(CCOCC1)CO MCULE-1535584787 [2,0,0,0,0,0|1,0,0]=3 320 B10R1.487 NCC1(COCCN1)CO MCULE-4153752073 [2,0,0,0,0,0|2,0,0]=4 321 B10R1.487 OCC1(CCCCC1)CO MCULE-3643412268 [2,0,0,0,0,0|1,0,0]=3 322 B10R1.487 OCC1(CCNCC1)CF MCULE-8644586608 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.487 OCC1(CCNCC1)CO MCULE-2277708492 [2,0,0,0,0,0|2,0,0]=4 324 B10R1.487 OCC1(CCNCC1)CO MCULE-2588589991 [2,0,0,0,0,0|2,0,0]=4 325 B10R1.487 OCC1(CCOCC1)CO MCULE-1630265361 [2,0,0,0,0,0|2,0,0]=4 326 B12R0.202 CCCCCCC(CC)CC(=O)O MCULE-4987267160 [0,1,1,0,0,0|1,0,0]=3 327 B12R1.349 CC1CCC(CC1)(N)CC(=O)O MCULE-5659163308 [1,1,0,0,0,0|0,0,0]=2 328 B12R1.349 CC1CCC(CC1)(N)CC(=O)O MCULE-6857277178 [1,1,0,0,0,0|0,0,0]=2 329 B12R1.349 O=C(O)C[C@@]1(CC[C@@H](CC1)O)O MCULE-5180027017 [1,1,0,0,0,0|1,0,0]=3 330 B12R1.349 O=C(O)C[C@@]1(CC[C@H](CC1)O)O MCULE-2389227142 [1,1,0,0,0,0|1,0,0]=3 331 B12R1.1257 CN1CCCC(C1)(O)CC(=O)O MCULE-4658177717 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.1257 CN1CCCC(C1)(O)CC(=O)O MCULE-6591140306 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O MCULE-2644000632 [1,1,0,0,0,0|0,0,0]=2 334 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O MCULE-4411912767 [1,1,0,0,0,0|0,0,0]=2 335 B12R1.2823 CC1(CCCCC1)CS(=O)(=O)Cl MCULE-3130156245 [1,1,0,0,0,0|1,0,1]=4 336 B12R1.3524 CC1(CCCCC1)NC(=O)CN MCULE-7391149093 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.3524 COC(=O)CC1(CCCCC1)N MCULE-2276068883 [1,1,0,0,0,0|0,0,0]=2 338 B12R1.3524 COC(=O)CC1(CCCCC1)N MCULE-3738848172 [1,1,0,0,0,0|0,0,0]=2 339 B12R1.3524 COC(=O)CC1(CCCCC1)O MCULE-5680015940 [1,1,0,0,0,0|1,0,0]=3 340 B12R1.3524 COC(=O)CC1(CCCOC1)N MCULE-1725190903 [1,1,0,0,0,0|1,0,0]=3 341 B12R1.3524 COC(=O)CC1(CCOCC1)N MCULE-2107518042 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.3524 COC(=O)CC1(CCOCC1)N MCULE-6020156962 [1,1,0,0,0,0|1,0,0]=3 343 B12R1.3524 COC(=O)CC1(CCSCC1)N MCULE-6933576029 [1,1,0,0,0,0|1,0,0]=3 344 B12R1.3524 COC(=O)CC1(CCSCC1)N MCULE-8012883704 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.2279 C=CCCC1(CCOCC1)CN MCULE-4924418868 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.2279 COCCC1(CCCCC1)CN MCULE-6212092435 [1,1,0,0,0,0|0,0,1]=3 347 B12R1.2279 COCCC1(CCOCC1)CN MCULE-4891034646 [1,1,0,0,0,0|1,0,1]=4 348 B12R1.2279 NCC1(CCCCC1)OCCO MCULE-7548295943 [1,1,0,0,0,0|0,0,1]=3 349 B12R1.2279 NCC1(CCOCC1)OCCO MCULE-3388150518 [1,1,0,0,0,0|1,0,1]=4 350 B12R1.2279 NCC1(CCSCC1)OCCO MCULE-9532658396 [1,1,0,0,0,0|1,0,1]=4 351 B12R1.2629 OCCC1(CCCCC1)CCO MCULE-2190549759 [1,1,0,0,0,0|1,0,1]=4 352 B12R1.684 CC1CCC(C1)(CN)CC(=O)O MCULE-3692173566 [0,1,0,0,1,0|0,0,0]=2 353 B12R1.684 CC1CCC(C1)(CN)CC(=O)O MCULE-7153514232 [0,1,0,0,1,0|0,0,0]=2 354 B12R1.2612 COCC1(CCCC1)CC(=O)O MCULE-7164129965 [0,1,0,0,1,0|1,0,0]=3 355 B12R1.3171 O=C(O)CC1(CCCC1)C(=O)O MCULE-5558936340 [0,1,0,0,1,0|1,0,1]=4 356 B12R1.3534 COC(=O)CC1(CCCC1)CN MCULE-4451061834 [0,1,0,0,1,0|0,0,0]=2 357 B12R1.3534 COC(=O)CC1(CCCC1)CN MCULE-5845019178 [0,1,0,0,1,0|0,0,0]=2 358 B12R1.3534 NCC1(CCCC1)NC(=O)CCl MCULE-9706183345 [0,1,0,0,1,0|2,0,0]=4 359 B12R1.3098 CC(C)C1(CCCCC1)C(=O)O MCULE-8924560333 [0,1,0,0,1,0|1,0,0]=3 360 B12R1.3098 CN(C)C1(CCCCC1)C(=O)O MCULE-7815317778 [0,1,0,0,1,0|2,0,0]=4 361 B12R1.3098 NC(=O)C1(CCCCC1)C(=O)O MCULE-3106293224 [0,1,0,0,1,0|0,0,1]=3 362 B12R1.3098 O=C(O)C1(CCCCC1)C(=O)O MCULE-4011811531 [0,1,0,0,1,0|1,0,1]=4 363 B12R1.3098 O=C(O)C1(CCCCC1)C(F)F MCULE-5111818693 [0,1,0,0,1,0|1,0,0]=3 364 B12R1.3098 O=C(O)C1(CCOCC1)C(F)F MCULE-3903772181 [0,1,0,0,1,0|2,0,0]=4 365 B12R1.3861 CS(=O)(=O)C1(CCCCC1)CN MCULE-3788066841 [0,1,0,0,1,0|1,0,1]=4 366 B12R1.3861 CS(=O)(=O)C1(CCCCC1)CN MCULE-4083706305 [0,1,0,0,1,0|1,0,1]=4 367 B14R1.16404 CN(C)C1(CCCCC1)CCC(=O)O MCULE-4487128993 [0,1,0,0,0,1|2,0,0]=4 368 B14R1.16404 CN(C)C1(CCCCC1)CCC(=O)O MCULE-9955805118 [0,1,0,0,0,1|2,0,0]=4 369 B14R1.16404 O=C(O)CCC1(CCCCC1)N(=O)=O MCULE-4847184171 [0,1,0,0,0,1|2,0,0]=4 370 B14R1.19189 CCOC(=O)CC1(CCCCC1)CN MCULE-2266436559 [0,2,0,0,0,0|0,0,0]=2 371 B14R1.19189 CCOC(=O)CC1(CCCCC1)CN MCULE-5691060535 [0,2,0,0,0,0|0,0,0]=2 372 B14R1.19189 CCOC(=O)CC1(CCCCC1)NC MCULE-3518002106 [0,2,0,0,0,0|2,0,0]=4 373 B14R1.19189 CCOC(=O)CC1(CCCCC1)NC MCULE-7163006350 [0,2,0,0,0,0|2,0,0]=4 374 B14R1.681 CC1CCC(CC1)(CC(=O)O)C(=O)O MCULE-5915301794 [0,2,0,0,0,0|1,0,1]=4 375 B14R1.23126 CCC1(CCC(CC1)(F)F)CC(=O)O MCULE-1678392829 [0,2,0,0,0,0|1,0,0]=3 376 B14R1.23126 NCC1(CCS(=O)(=O)CC1)CC(=O)O MCULE-1129319181 [0,2,0,0,0,0|1,0,0]=3 377 B14R1.23126 NCC1(CCS(=O)(=O)CC1)CC(=O)O MCULE-8558578899 [0,2,0,0,0,0|1,0,0]=3 378 B14R1.24969 COC1(CCCCC1)C(F)(F)C(=O)O MCULE-4430389664 [0,2,0,0,0,0|2,0,0]=4 379 B14R1.16771 CC(=O)CC1(CCCCC1)CC(C)C MCULE-1019944782 [0,2,0,0,0,0|2,0,0]=4 380 B14R1.16771 CC(=O)NC1(CCCCC1)CC(=O)O MCULE-1771474078 [0,2,0,0,0,0|1,0,1]=4 381 B14R1.16771 CN(C)CC1(CCCCC1)CC(=O)O MCULE-8400980112 [0,2,0,0,0,0|0,0,0]=2 382 B14R1.16771 CN(C)CC1(CCCCC1)CC(=O)O MCULE-8424294960 [0,2,0,0,0,0|0,0,0]=2 383 B14R1.16771 CN(C)CC1(CCOCC1)CC(=O)O MCULE-1450818224 [0,2,0,0,0,0|1,0,0]=3 384 B14R1.16771 CN(C)CC1(CCOCC1)CC(=O)O MCULE-7619932971 [0,2,0,0,0,0|1,0,0]=3 385 B14R1.16771 NC(=O)CC1(CCCCC1)CC(=O)N MCULE-5385483059 [0,2,0,0,0,0|1,0,0]=3 386 B14R1.16771 NC(=O)CC1(CCCCC1)CC(=O)O MCULE-9902614800 [0,2,0,0,0,0|0,0,0]=2 387 B14R1.16771 O=C(O)CC1(CCCCC1)CC(=O)O MCULE-6066809185 [0,2,0,0,0,0|1,0,0]=3 388 B14R1.16771 O=C(O)CC1(CCNCC1)CC(=O)O MCULE-1175253397 [0,2,0,0,0,0|2,0,0]=4 389 B14R1.16771 O=C(O)CC1(CCNCC1)CC(=O)O MCULE-9512193460 [0,2,0,0,0,0|2,0,0]=4 390 B14R1.19512 COC(=O)C1(CCCCC1)CC(=O)O MCULE-1367930506 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.4 CCC1CCC(CC1)CC(=O)O MCULE-4463752075 [0,0,1,1,0,0|1,0,0]=3 392 B12R1.4 CCN1CCC(CC1)CC(=O)O MCULE-2877973796 [0,0,1,1,0,0|2,0,0]=4 393 B12R1.4 CCN1CCC(CC1)CC(=O)O MCULE-9225750727 [0,0,1,1,0,0|2,0,0]=4 394 B12R1.4 CC[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-5208836343 [0,0,1,1,0,0|1,0,0]=3 395 B12R1.4 COC1CCC(CC1)CC(=O)O MCULE-4216700038 [0,0,1,1,0,0|2,0,0]=4 396 B12R1.4 NCC1CCC(CC1)CC(=O)O MCULE-3567224346 [0,0,1,1,0,0|2,0,0]=4 397 B12R1.4 NCC1CCC(CC1)CC(=O)O MCULE-3923908477 [0,0,1,1,0,0|2,0,0]=4 398 B12R1.4 NC[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-1360542380 [0,0,1,1,0,0|2,0,0]=4 399 B12R1.4 NC[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-2819508397 [0,0,1,1,0,0|2,0,0]=4 400 B12R1.182 CCCN1CCC(C1)CC(=O)O MCULE-1543292991 [0,0,1,1,0,0|2,0,0]=4 401 B12R1.405 CCN1CCCCCC1C(=O)O MCULE-2326419949 [0,0,1,1,0,0|2,0,0]=4 402 B12R1.476 NCC(CC(=O)O)C1CCCC1 MCULE-7381133772 [0,0,1,1,0,0|0,0,0]=2 403 B12R1.476 NCC(CC(=O)O)C1CCCC1 MCULE-7647852325 [0,0,1,1,0,0|0,0,0]=2 404 B12R1.1392 O=C(O)CN1CCCCCCC1 MCULE-5706680135 [0,0,1,1,0,0|2,0,0]=4 405 B12R1.1829 NC1(CCCCCC1)CC(=O)O MCULE-6494985992 [0,0,1,1,0,0|2,0,0]=4 406 B12R1.1829 NC1(CCCCCC1)CC(=O)O MCULE-6930845885 [0,0,1,1,0,0|2,0,0]=4 407 B12R1.1829 O=C(O)CC1(CCCCCC1)O MCULE-4067052677 [0,0,1,1,0,0|2,0,0]=4 408 B12R2.19 CC12CCCCC1CC(=O)C2 MCULE-4049336240 [1,0,0,1,0,0|1,0,0]=3 409 B12R2.250 NC(=O)C1OC12CCCCC2 MCULE-9044385023 [1,0,0,1,0,0|2,0,0]=4 410 B12R2.250 O=C(O)C1CC12CCCCC2 MCULE-2503310018 [1,0,0,1,0,0|0,0,0]=2 411 B12R2.250 O=C(O)C1CC12CCCNC2 MCULE-1681266618 [1,0,0,1,0,0|1,0,0]=3 412 B12R2.250 O=C(O)C1CC12CCCNC2 MCULE-3549112122 [1,0,0,1,0,0|1,0,0]=3 413 B12R2.250 O=C(O)C1CC12CCCOC2 MCULE-7358515114 [1,0,0,1,0,0|1,0,0]=3 414 B12R2.250 O=C(O)C1CC12CCNCC2 MCULE-3702584189 [1,0,0,1,0,0|1,0,0]=3 415 B12R2.250 O=C(O)C1CC12CCNCC2 MCULE-8315679139 [1,0,0,1,0,0|1,0,0]=3 416 B12R2.250 O=C(O)C1CC12CCOCC2 MCULE-1128195301 [1,0,0,1,0,0|1,0,0]=3 417 B12R2.250 O=C(O)C1CC12CCOCC2 MCULE-4318104876 [1,0,0,1,0,0|1,0,0]=3 418 B12R2.250 O=C(O)C1CC12CCSCC2 MCULE-1978392203 [1,0,0,1,0,0|1,0,0]=3 419 B12R2.250 O=C(O)C1OC12CCCCC2 MCULE-8536739574 [1,0,0,1,0,0|1,0,0]=3 420 B12R2.250 O=C(O)[C@@H]1CC12CCOCC2 MCULE-3036385474 [1,0,0,1,0,0|1,0,0]=3 421 B12R2.250 O=C(O)[C@@H]1CC12CCOCC2 MCULE-9402406943 [1,0,0,1,0,0|1,0,0]=3 422 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 MCULE-4473969470 [1,0,0,1,0,0|1,0,0]=3 423 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 MCULE-5930090560 [1,0,0,1,0,0|1,0,0]=3 424 B12R2.1153 O=C1CC2CCCC(C1)(C2)Br MCULE-3446248301 [1,0,0,1,0,0|2,0,0]=4 425 B12R2.1153 O=C1CC2CCCC(C1)(C2)O MCULE-2235494953 [1,0,0,1,0,0|2,0,0]=4 426 B12R2.2918 O=C1CC2(CCCCC2)CN1 MCULE-6823485026 [1,0,0,1,0,0|1,0,0]=3 427 B12R2.2918 O=C1CC2(CCCCC2)NN1 MCULE-6787356056 [1,0,0,1,0,0|1,0,0]=3 428 B12R2.2918 O=C1CC2(CCCCO2)CN1 MCULE-4289127491 [1,0,0,1,0,0|2,0,0]=4 429 B12R2.2918 O=C1CC2(CCCNC2)CN1 MCULE-2859952734 [1,0,0,1,0,0|2,0,0]=4 430 B12R2.2918 O=C1CC2(CCCNC2)CN1 MCULE-7922645076 [1,0,0,1,0,0|2,0,0]=4 431 B12R2.2918 O=C1CC2(CCCOC2)CN1 MCULE-8874604181 [1,0,0,1,0,0|2,0,0]=4 432 B12R2.2918 O=C1CC2(CCNCC2)CN1 MCULE-1089878474 [1,0,0,1,0,0|2,0,0]=4 433 B12R2.2918 O=C1CC2(CCNCC2)CN1 MCULE-6425896542 [1,0,0,1,0,0|2,0,0]=4 434 B12R2.2918 O=C1CC2(CCNCC2)CN1 MCULE-9363114897 [1,0,0,1,0,0|2,0,0]=4 435 B12R2.2918 O=C1CC2(CCNCC2)CN1 MCULE-9743701874 [1,0,0,1,0,0|2,0,0]=4 436 B12R2.2918 O=C1CC2(CCOCC2)CN1 MCULE-5812465485 [1,0,0,1,0,0|2,0,0]=4 437 B12R2.2918 O=C1CCC2(C1)CCCCC2 MCULE-9066804202 [1,0,0,1,0,0|1,0,0]=3 438 B12R2.2918 O=C1CCC2(N1)CCCCC2 MCULE-5736156500 [1,0,0,1,0,0|2,0,0]=4 439 B12R2.2918 O=C1CCC2(O1)CCCCC2 MCULE-2524698119 [1,0,0,1,0,0|2,0,0]=4 440 B12R2.2918 O=C1CNC2(N1)CCCCC2 MCULE-1343250676 [1,0,0,1,0,0|2,0,0]=4 441 B12R2.2918 O=C1NC2(CCNCC2)CO1 MCULE-7367402375 [1,0,0,1,0,0|2,0,0]=4 442 B12R2.2918 O=C1NC2(CCNCC2)CO1 MCULE-7499633442 [1,0,0,1,0,0|2,0,0]=4 443 B12R2.2918 O=C1NC2(CCOCC2)CO1 MCULE-3435477882 [1,0,0,1,0,0|2,0,0]=4 444 B12R2.2918 O=C1NCC2(O1)CCCCC2 MCULE-5479893010 [1,0,0,1,0,0|2,0,0]=4 445 B12R2.2918 O=C1OCC2(O1)CCNCC2 MCULE-2077507217 [1,0,0,1,0,0|2,0,0]=4 446 B12R2.2918 O=C1OCC2(O1)CCNCC2 MCULE-9643606091 [1,0,0,1,0,0|2,0,0]=4 447 B12R2.3257 O=C(O)CC12CCC(C1)CC2 MCULE-7597772628 [1,0,0,1,0,0|0,0,0]=2 448 B12R2.5232 N=S1(=O)CC2(C1)CCCCC2 MCULE-1796490387 [1,0,0,1,0,0|2,0,0]=4 449 B12R2.8 NC1CCCC12CCCCC2 MCULE-6542970559 [1,0,0,1,0,0|1,0,1]=4 450 B12R2.8 NC1CCCC12CCCCC2 MCULE-8287369641 [1,0,0,1,0,0|1,0,1]=4 451 B12R2.8 NC1CNCC12CCCCC2 MCULE-2812487723 [1,0,0,1,0,0|2,0,0]=4 452 B12R2.3988 O=C1NC2(CCC1CC2)CO MCULE-9966127918 [1,0,0,1,0,0|2,0,0]=4 453 B12R2.4370 C1CCC2(CC1)CCCNC2 MCULE-1604797009 [1,0,0,1,0,0|1,0,1]=4 454 B12R2.4370 C1CCC2(CC1)CCCNC2 MCULE-9956091938 [1,0,0,1,0,0|1,0,1]=4 455 B12R2.254 O=C(O)C1NCC12CCCC2 MCULE-6704016871 [0,0,0,1,1,0|0,0,0]=2 456 B12R2.254 O=C(O)C1NCC12CCCC2 MCULE-8755908913 [0,0,0,1,1,0|0,0,0]=2 457 B12R2.783 O=C1CC2(CCCC2)C(=O)O1 MCULE-8239017299 [0,0,0,1,1,0|1,0,1]=4 458 B12R2.5121 O=C1CCCC2(C1)CCCC2 MCULE-8186406213 [0,0,0,1,1,0|2,0,0]=4 459 B12R2.5121 O=C1CNCC2(N1)CCCC2 MCULE-5451846226 [0,0,0,1,1,0|2,0,0]=4 460 B12R2.5121 O=C1CNCC2(N1)CCCC2 MCULE-5562956614 [0,0,0,1,1,0|2,0,0]=4 461 B12R2.3099 O=C(O)C12CCCC(C1)CC2 MCULE-9196143930 [0,0,0,1,1,0|1,0,0]=3 462 B12R2.3099 O=C(O)C12CCCC(C1)CN2 MCULE-2122376026 [0,0,0,1,1,0|2,0,0]=4 463 B12R2.3099 O=C(O)C12CCCC(C1)CN2 MCULE-6451355418 [0,0,0,1,1,0|2,0,0]=4 464 B12R2.3099 O=C(O)C12CCCN(C1)CC2 MCULE-7875346485 [0,0,0,1,1,0|2,0,0]=4 465 B12R2.3099 O=C(O)C12CCCN(C1)CC2 MCULE-8048870101 [0,0,0,1,1,0|2,0,0]=4 466 B12R2.6473 CC(=O)C12CCC(CC1)CC2 MCULE-8372769811 [0,0,0,1,1,0|2,0,0]=4 467 B12R2.6473 O=C(O)C12CCC(CC1)CC2 MCULE-6885772881 [0,0,0,1,1,0|1,0,0]=3 468 B12R2.6473 O=C(O)C12CCC(CC1)CO2 MCULE-7804091182 [0,0,0,1,1,0|2,0,0]=4 469 B12R2.6473 O=C(O)C12CCC(CC1)NC2 MCULE-2868963317 [0,0,0,1,1,0|0,0,0]=2 470 B12R2.6473 O=C(O)C12CCC(CC1)NC2 MCULE-7093125138 [0,0,0,1,1,0|0,0,0]=2 471 B12R2.6473 O=C(O)C12CCC(CC1)OC2 MCULE-4415660416 [0,0,0,1,1,0|1,0,0]=3 472 B12R2.6473 O=C(O)C12CCC(CN1)OC2 MCULE-1450795756 [0,0,0,1,1,0|2,0,0]=4 473 B12R2.6473 O=C(O)C12CCC(CN1)OC2 MCULE-1728091235 [0,0,0,1,1,0|2,0,0]=4 474 B12R2.6473 O=C(O)C12CCN(CC1)CC2 MCULE-1195823178 [0,0,0,1,1,0|2,0,0]=4 475 B12R2.6473 O=C(O)C12CCN(CC1)CC2 MCULE-3362052060 [0,0,0,1,1,0|2,0,0]=4 476 B14R2.31228 O=C(O)C1=NOC2(C1)CCCCC2 MCULE-9157012054 [0,0,0,1,0,1|1,0,1]=4 477 B14R2.31228 O=C(O)C1CC2(CCCCC2)CN1 MCULE-7541852087 [0,0,0,1,0,1|0,0,0]=2 478 B14R2.31228 O=C(O)C1CC2(CCCCC2)CN1 MCULE-8507266195 [0,0,0,1,0,1|0,0,0]=2 479 B14R2.31228 O=C(O)C1CC2(CCOCC2)CN1 MCULE-7015038451 [0,0,0,1,0,1|1,0,0]=3 480 B14R2.31228 O=C(O)C1CSC2(N1)CCCCC2 MCULE-2109188478 [0,0,0,1,0,1|2,0,0]=4 481 B14R2.31228 O=C(O)C1CSC2(N1)CCCCC2 MCULE-3899768880 [0,0,0,1,0,1|2,0,0]=4 482 B14R2.31228 [C@@H]1(CSC2(N1)CCCCC2)C(=O)O MCULE-2944145730 [0,0,0,1,0,1|2,0,0]=4 483 B14R2.31228 [C@@H]1(CSC2(N1)CCCCC2)C(=O)O MCULE-8488299875 [0,0,0,1,0,1|2,0,0]=4 484 B14R2.6138 O=C1CC2(CCCCCC2)C(=O)O1 MCULE-7778019213 [0,0,0,1,0,1|1,0,1]=4 485 B14R2.23229 O=C1CCCC2(C1)CCCCCC2 MCULE-5132487689 [0,0,0,1,0,1|2,0,0]=4 486 B14R2.974 COC(=O)C1NCC12CCOCC2 MCULE-1524996616 [0,1,0,1,0,0|1,0,0]=3 487 B14R2.974 COC(=O)C1NCC12CCOCC2 MCULE-2063957326 [0,1,0,1,0,0|1,0,0]=3 488 B14R2.38170 OCC1=CCCC2(C1)CCCCC2 MCULE-1025553559 [0,1,0,1,0,0|2,0,0]=4 489 B14R2.29034 CC1CCC2(CC1)CC(=O)OC2=O MCULE-6329637675 [0,1,0,1,0,0|1,0,1]=4 490 B14R2.62764 NC12CCC(CC1)(CC2)CC(=O)O MCULE-3580659302 [0,1,0,1,0,0|1,0,0]=3 491 B14R2.62764 NC12CCC(CC1)(CC2)CC(=O)O MCULE-4417821801 [0,1,0,1,0,0|1,0,0]=3 492 B14R2.55 O=C(O)C1CCCC12CCOCC2 MCULE-4397676381 [0,1,0,1,0,0|2,0,0]=4 493 B14R2.55 O=C(O)C1CNCC12CCCCC2 MCULE-5270576699 [0,1,0,1,0,0|0,0,0]=2 494 B14R2.55 O=C(O)C1CNCC12CCCCC2 MCULE-5423593208 [0,1,0,1,0,0|0,0,0]=2 495 B14R2.55 O=C(O)C1CNCC12CCOCC2 MCULE-7837470587 [0,1,0,1,0,0|1,0,0]=3 496 B14R2.183 COC1C(C12CCOCC2)C(=O)O MCULE-1955852163 [0,1,0,1,0,0|2,0,0]=4 497 B14R2.1018 O=C1CC2(CCOCC2)C(O1)CI MCULE-2513842237 [0,1,0,1,0,0|2,0,0]=4 498 B14R2.30027 O=C1CC(=O)CC2(C1)CCCCC2 MCULE-5677409691 [0,1,0,1,0,0|2,0,0]=4 499 B14R2.30027 O=C1CC2(CCCCC2)CC(=O)N1 MCULE-7431425303 [0,1,0,1,0,0|2,0,0]=4 500 B14R2.30027 O=C1CC2(CCCCC2)CC(=O)O1 MCULE-3064656890 [0,1,0,1,0,0|1,0,0]=3 501 B14R2.31680 O=C(O)CC12CCCCC1C2(F)F MCULE-7569750076 [0,1,0,1,0,0|1,0,0]=3 502 B10R0.86 CCCCCC(CC)C(=O)C MCULE-1913128605 [0,0,1,0,1,0|2,0,0]=4 503 B10R0.86 CCCCCC(CC)C(=O)O MCULE-3515775261 [0,0,1,0,1,0|1,0,0]=3 504 B10R0.133 CCCC[C@](N)(CC)C(=O)O MCULE-5511664944 [0,0,1,0,1,0|2,0,0]=4 505 B10R0.133 CCCC[C@](N)(CC)C(=O)O MCULE-7828282573 [0,0,1,0,1,0|2,0,0]=4 506 B10R1.363 CC(=O)C1(CCCCC1)Br MCULE-1087745376 [1,0,0,0,1,0|2,0,0]=4 507 B10R1.363 CC(=O)C1(CCCCC1)C MCULE-2400194377 [1,0,0,0,1,0|1,0,0]=3 508 B10R1.363 CC(=O)C1(CCCCC1)N MCULE-2403671270 [1,0,0,0,1,0|1,0,0]=3 509 B10R1.363 CC(=O)C1(CCCCC1)N MCULE-8220968252 [1,0,0,0,1,0|1,0,0]=3 510 B10R1.363 CC(=O)C1(CCCCC1)O MCULE-8708554984 [1,0,0,0,1,0|2,0,0]=4 511 B10R1.363 CC(=O)C1(CCNCC1)C MCULE-2089718696 [1,0,0,0,1,0|2,0,0]=4 512 B10R1.363 CC(=O)C1(CCNCC1)C MCULE-3448978894 [1,0,0,0,1,0|2,0,0]=4 513 B10R1.363 CC(=O)C1(CCOCC1)C MCULE-6994899414 [1,0,0,0,1,0|2,0,0]=4 514 B10R1.363 CC1(C=CCCC1)C(=O)O MCULE-7610148262 [1,0,0,0,1,0|0,0,2]=4 515 B10R1.363 CC1(CC=CCC1)C(=O)O MCULE-5814640957 [1,0,0,0,1,0|0,0,2]=4 516 B10R1.363 CC1(CCCCC1)C(=O)Cl MCULE-2304699201 [1,0,0,0,1,0|1,0,0]=3 517 B10R1.363 CC1(CCCCC1)C(=O)N MCULE-2748976288 [1,0,0,0,1,0|1,0,0]=3 518 B10R1.363 CC1(CCCCC1)C(=O)O MCULE-8617368211 [1,0,0,0,1,0|0,0,0]=2 519 B10R1.363 CC1(CCCCN1)C(=O)N MCULE-5510028076 [1,0,0,0,1,0|2,0,0]=4 520 B10R1.363 CC1(CCCCN1)C(=O)N MCULE-9010382394 [1,0,0,0,1,0|2,0,0]=4 521 B10R1.363 CC1(CCCCN1)C(=O)O MCULE-4353837718 [1,0,0,0,1,0|1,0,0]=3 522 B10R1.363 CC1(CCCCN1)C(=O)O MCULE-5823768018 [1,0,0,0,1,0|1,0,0]=3 523 B10R1.363 CC1(CCCCO1)C(=O)O MCULE-8167039984 [1,0,0,0,1,0|1,0,0]=3 524 B10R1.363 CC1(CCCNC1)C(=O)N MCULE-6281064804 [1,0,0,0,1,0|2,0,0]=4 525 B10R1.363 CC1(CCCNC1)C(=O)N MCULE-7011930506 [1,0,0,0,1,0|2,0,0]=4 526 B10R1.363 CC1(CCCNC1)C(=O)O MCULE-1830247756 [1,0,0,0,1,0|1,0,0]=3 527 B10R1.363 CC1(CCCNC1)C(=O)O MCULE-4554317503 [1,0,0,0,1,0|1,0,0]=3 528 B10R1.363 CC1(CCCOC1)C(=O)O MCULE-3722771180 [1,0,0,0,1,0|1,0,0]=3 529 B10R1.363 CC1(CCNCC1)C(=O)N MCULE-1830846193 [1,0,0,0,1,0|2,0,0]=4 530 B10R1.363 CC1(CCNCC1)C(=O)N MCULE-7847544229 [1,0,0,0,1,0|2,0,0]=4 531 B10R1.363 CC1(CCNCC1)C(=O)O MCULE-5925956345 [1,0,0,0,1,0|1,0,0]=3 532 B10R1.363 CC1(CCNCC1)C(=O)O MCULE-9595642308 [1,0,0,0,1,0|1,0,0]=3 533 B10R1.363 CC1(CCOCC1)C(=O)O MCULE-6824729734 [1,0,0,0,1,0|1,0,0]=3 534 B10R1.363 CC1(CCSCC1)C(=O)O MCULE-4494370785 [1,0,0,0,1,0|1,0,0]=3 535 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-6864976931 [1,0,0,0,1,0|2,0,0]=4 536 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-7815848744 [1,0,0,0,1,0|2,0,0]=4 537 B10R1.363 CC1(COCCN1)C(=O)O MCULE-2577762263 [1,0,0,0,1,0|2,0,0]=4 538 B10R1.363 CC1(COCCN1)C(=O)O MCULE-4596611063 [1,0,0,0,1,0|2,0,0]=4 539 B10R1.363 CC1(COCCO1)C(=O)O MCULE-5074851185 [1,0,0,0,1,0|2,0,0]=4 540 B10R1.363 CC1(COCOC1)C(=O)O MCULE-7267825356 [1,0,0,0,1,0|2,0,0]=4 541 B10R1.363 C[C@@]1(CCCCN1)C(=O)O MCULE-2751244606 [1,0,0,0,1,0|1,0,0]=3 542 B10R1.363 C[C@@]1(CCCCN1)C(=O)O MCULE-9588562839 [1,0,0,0,1,0|1,0,0]=3 543 B10R1.363 C[C@@]1(CCCCO1)C(=O)O MCULE-8351337180 [1,0,0,0,1,0|1,0,0]=3 544 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-2580172241 [1,0,0,0,1,0|1,0,0]=3 545 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-5735574050 [1,0,0,0,1,0|1,0,0]=3 546 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-6097682986 [1,0,0,0,1,0|1,0,0]=3 547 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-8361078667 [1,0,0,0,1,0|1,0,0]=3 548 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-2019738412 [1,0,0,0,1,0|1,0,0]=3 549 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-5663835052 [1,0,0,0,1,0|1,0,0]=3 550 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-8254704116 [1,0,0,0,1,0|1,0,0]=3 551 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-1520204390 [1,0,0,0,1,0|1,0,0]=3 552 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-5357080399 [1,0,0,0,1,0|1,0,0]=3 553 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-4789999853 [1,0,0,0,1,0|1,0,0]=3 554 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-5338426663 [1,0,0,0,1,0|1,0,0]=3 555 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-6021049561 [1,0,0,0,1,0|1,0,0]=3 556 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-7816386590 [1,0,0,0,1,0|1,0,0]=3 557 B10R1.363 NC(=O)C1(CCCCC1)N MCULE-9213834644 [1,0,0,0,1,0|1,0,0]=3 558 B10R1.363 NC(=O)C1(CCCCC1)O MCULE-9953817877 [1,0,0,0,1,0|2,0,0]=4 559 B10R1.363 NC(=O)C1(CCOCC1)N MCULE-2419590647 [1,0,0,0,1,0|2,0,0]=4 560 B10R1.363 NC(=O)C1(CCOCC1)N MCULE-4475585786 [1,0,0,0,1,0|2,0,0]=4 561 B10R1.363 NC(=O)C1(CCSCC1)N MCULE-4385733187 [1,0,0,0,1,0|2,0,0]=4 562 B10R1.363 NC1(CCCCC1)C(=O)O MCULE-9219404299 [1,0,0,0,1,0|0,0,0]=2 563 B10R1.363 NC1(CCCOC1)C(=O)O MCULE-7592747043 [1,0,0,0,1,0|1,0,0]=3 564 B10R1.363 NC1(CCCSC1)C(=O)O MCULE-5875012341 [1,0,0,0,1,0|1,0,0]=3 565 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-2468722313 [1,0,0,0,1,0|1,0,0]=3 566 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-4525710147 [1,0,0,0,1,0|1,0,0]=3 567 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-5856930946 [1,0,0,0,1,0|1,0,0]=3 568 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-8458518802 [1,0,0,0,1,0|1,0,0]=3 569 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-8720926076 [1,0,0,0,1,0|1,0,0]=3 570 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-9032013861 [1,0,0,0,1,0|1,0,0]=3 571 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-3400288648 [1,0,0,0,1,0|1,0,0]=3 572 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-7826194478 [1,0,0,0,1,0|1,0,0]=3 573 B10R1.363 O=C(Cl)C1(CCCCC1)Br MCULE-3943135228 [1,0,0,0,1,0|2,0,0]=4 574 B10R1.363 O=C(Cl)C1(CCCCC1)Cl MCULE-5594029874 [1,0,0,0,1,0|2,0,0]=4 575 B10R1.363 O=C(O)C1(CCCCC1)Br MCULE-4457572618 [1,0,0,0,1,0|1,0,0]=3 576 B10R1.363 O=C(O)C1(CCCCC1)Cl MCULE-9172453010 [1,0,0,0,1,0|1,0,0]=3 577 B10R1.363 O=C(O)C1(CCCCC1)F MCULE-6566089811 [1,0,0,0,1,0|1,0,0]=3 578 B10R1.363 O=C(O)C1(CCCCC1)O MCULE-8504861268 [1,0,0,0,1,0|1,0,0]=3 579 B10R1.363 O=C(O)C1(CCCNC1)O MCULE-4880129058 [1,0,0,0,1,0|2,0,0]=4 580 B10R1.363 O=C(O)C1(CCCNC1)O MCULE-9960592206 [1,0,0,0,1,0|2,0,0]=4 581 B10R1.363 O=C(O)C1(CCCOC1)F MCULE-8290066035 [1,0,0,0,1,0|2,0,0]=4 582 B10R1.363 O=C(O)C1(CCNCC1)F MCULE-1312767997 [1,0,0,0,1,0|2,0,0]=4 583 B10R1.363 O=C(O)C1(CCNCC1)F MCULE-5915477961 [1,0,0,0,1,0|2,0,0]=4 584 B10R1.363 O=C(O)C1(CCNCC1)O MCULE-4619147711 [1,0,0,0,1,0|2,0,0]=4 585 B10R1.363 O=C(O)C1(CCNCC1)O MCULE-6538244346 [1,0,0,0,1,0|2,0,0]=4 586 B10R1.363 O=C(O)C1(CCOCC1)F MCULE-7783441156 [1,0,0,0,1,0|2,0,0]=4 587 B10R1.363 O=C(O)C1(CCOCC1)O MCULE-4186201239 [1,0,0,0,1,0|2,0,0]=4 588 B10R1.363 O=C(O)C1(CCSCC1)O MCULE-8230713014 [1,0,0,0,1,0|2,0,0]=4 589 B10R1.363 [NH3+]C1(CCCCC1)C(=O)O MCULE-1248384499 [1,0,0,0,1,0|0,0,1]=3 590 B10R1.370 CC1(CCCC1)CC(=O)O MCULE-4967984413 [1,0,0,0,1,0|0,0,0]=2 591 B10R1.370 CC1(OCCO1)CC(=O)O MCULE-8187059716 [1,0,0,0,1,0|2,0,0]=4 592 B10R1.370 NC1(CCCC1)CC(=O)O MCULE-5280016961 [1,0,0,0,1,0|0,0,0]=2 593 B10R1.370 NC1(CCCC1)CC(=O)O MCULE-8706705761 [1,0,0,0,1,0|0,0,0]=2 594 B10R1.370 NC1(CCSC1)CC(=O)O MCULE-1913904908 [1,0,0,0,1,0|1,0,0]=3 595 B10R1.370 O=C(O)CC1(CCCC1)O MCULE-7504539994 [1,0,0,0,1,0|1,0,0]=3 596 B10R1.370 O=C(O)CC1(CCOC1)O MCULE-7553623965 [1,0,0,0,1,0|2,0,0]=4 597 B10R1.529 C=CCC1(CCCC1)CBr MCULE-4124497214 [1,0,0,0,1,0|2,0,0]=4 598 B10R1.529 C=CCC1(CCCC1)CN MCULE-5050682400 [1,0,0,0,1,0|1,0,0]=3 599 B10R1.529 C=CCC1(CCCC1)CO MCULE-5369475162 [1,0,0,0,1,0|2,0,0]=4 600 B10R1.529 COCC1(CCCC1)CN MCULE-5294479087 [1,0,0,0,1,0|2,0,0]=4 601 B10R1.529 COCC1(CCCC1)CN MCULE-9425977488 [1,0,0,0,1,0|2,0,0]=4 602 B10R1.529 NCC1(CCCC1)CCO MCULE-8284983944 [1,0,0,0,1,0|0,0,1]=3 603 B10R1.529 NCC1(CCOC1)CCO MCULE-2425611573 [1,0,0,0,1,0|1,0,1]=4 604 B10R1.227 CCC1(CCC1)CC(=O)O MCULE-2720340822 [0,0,0,0,2,0|1,0,0]=3 605 B10R1.227 COC1(CCC1)CC(=O)O MCULE-7616570750 [0,0,0,0,2,0|2,0,0]=4 606 B10R1.227 N#CC1(CCC1)CC(=O)O MCULE-7756435009 [0,0,0,0,2,0|0,0,2]=4 607 B10R1.227 NCC1(CCC1)CC(=O)O MCULE-2925464855 [0,0,0,0,2,0|0,0,0]=2 608 B10R1.227 NCC1(CCC1)CC(=O)O MCULE-3695443009 [0,0,0,0,2,0|0,0,0]=2 609 B10R1.227 NCC1(COC1)CC(=O)O MCULE-9324551565 [0,0,0,0,2,0|1,0,0]=3 610 B10R1.477 C#CC1(CCCC1)C(=O)O MCULE-5542543621 [0,0,0,0,2,0|1,0,1]=4 611 B10R1.477 CCC1(CCCC1)C(=O)O MCULE-5656602965 [0,0,0,0,2,0|1,0,0]=3 612 B10R1.477 CCC1(CCCN1)C(=O)O MCULE-3641915361 [0,0,0,0,2,0|2,0,0]=4 613 B10R1.477 CCC1(CCCN1)C(=O)O MCULE-4597310469 [0,0,0,0,2,0|2,0,0]=4 614 B10R1.477 CCC1(CCCN1)C(=O)O MCULE-5699616237 [0,0,0,0,2,0|2,0,0]=4 615 B10R1.477 CCC1(CCCN1)C(=O)O MCULE-9288027580 [0,0,0,0,2,0|2,0,0]=4 616 B10R1.477 CC[C@@]1(CCCN1)C(=O)O MCULE-1110693309 [0,0,0,0,2,0|2,0,0]=4 617 B10R1.477 CC[C@@]1(CCCN1)C(=O)O MCULE-3125780437 [0,0,0,0,2,0|2,0,0]=4 618 B10R1.477 CC[C@@]1(CCCN1)C(=O)O MCULE-3747201084 [0,0,0,0,2,0|2,0,0]=4 619 B10R1.477 CC[C@@]1(CCCN1)C(=O)O MCULE-4962257347 [0,0,0,0,2,0|2,0,0]=4 620 B10R1.477 CC[C@]1(CCCN1)C(=O)O MCULE-3237722025 [0,0,0,0,2,0|2,0,0]=4 621 B10R1.477 CC[C@]1(CCCN1)C(=O)O MCULE-4656804455 [0,0,0,0,2,0|2,0,0]=4 622 B10R1.477 CC[C@]1(CCCN1)C(=O)O MCULE-7911479004 [0,0,0,0,2,0|2,0,0]=4 623 B10R1.477 CC[C@]1(CCCN1)C(=O)O MCULE-8941344909 [0,0,0,0,2,0|2,0,0]=4 624 B10R1.477 CNC1(CCCC1)C(=O)O MCULE-1767562494 [0,0,0,0,2,0|2,0,0]=4 625 B10R1.477 CNC1(CCCC1)C(=O)O MCULE-7365959763 [0,0,0,0,2,0|2,0,0]=4 626 B10R1.477 COC1(CCCC1)C(=O)O MCULE-1739308870 [0,0,0,0,2,0|2,0,0]=4 627 B10R1.477 N#CC1(CCCC1)C(=O)O MCULE-1638254148 [0,0,0,0,2,0|0,0,2]=4 628 B10R1.477 NCC1(CCCC1)C(=O)N MCULE-7074465709 [0,0,0,0,2,0|1,0,0]=3 629 B10R1.477 NCC1(CCCC1)C(=O)O MCULE-2746708245 [0,0,0,0,2,0|0,0,0]=2 630 B10R1.477 NCC1(CCCC1)C(=O)O MCULE-4666634845 [0,0,0,0,2,0|0,0,0]=2 631 B10R1.477 O=C(O)C1(CCCC1)CO MCULE-7987056998 [0,0,0,0,2,0|1,0,0]=3 632 B10R1.477 O=C(O)C1(CCCO1)CO MCULE-7539008546 [0,0,0,0,2,0|2,0,0]=4 633 B12R1.3110 CC(=O)NCC1(CCCCC1)N MCULE-6978852027 [1,0,0,0,0,1|1,0,0]=3 634 B12R1.3110 CC(=O)NCC1(CCCCC1)N MCULE-7572327873 [1,0,0,0,0,1|1,0,0]=3 635 B12R1.3110 CC1(CCCCC1)CCC(=O)O MCULE-4030655928 [1,0,0,0,0,1|0,0,0]=2 636 B12R1.3110 CC1(CCOCC1)OCC(=O)O MCULE-9546718249 [1,0,0,0,0,1|1,0,0]=3 637 B12R1.3110 NC1(CCCCC1)CCC(=O)O MCULE-7944829065 [1,0,0,0,0,1|0,0,0]=2 638 B12R1.3110 NC1(CCCCC1)CCC(=O)O MCULE-8909515747 [1,0,0,0,0,1|0,0,0]=2 639 B12R1.3110 O=C(O)C#CC1(CCCCC1)O MCULE-9539141010 [1,0,0,0,0,1|1,0,1]=4 640 B12R1.3845 CC(=O)NCC1(CCCC1)CO MCULE-4446099135 [0,0,0,0,1,1|2,0,0]=4 641 B12R1.2346 COC1(CCCCCC1)C(=O)O MCULE-8474203191 [0,0,0,0,1,1|2,0,0]=4