0 B8R1.3 BrC1CCC(NC1)Br MCULE-6328648168 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.3 CC1CCC(CC1)Br MCULE-9651780583 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.3 CC1CCC(CC1)C MCULE-8970080763 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.3 CC1CCC(CC1)N MCULE-1405299661 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.3 CC1CCC(CC1)N MCULE-2075843541 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.3 CC1CCC(CC1)O MCULE-7501628471 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.3 CC1CCC(CC1)S MCULE-6252839554 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.3 CC1CCC(CN1)O MCULE-1965969511 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.3 CC1CCC(CN1)O MCULE-8922826910 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.3 CC1CCC(CO1)O MCULE-8416383333 [0,0,0,0,0,0|2,1,0]=3 11 B8R1.3 CC1CCC(NC1)C MCULE-5442214938 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.3 CC1CNC(CN1)C MCULE-7639138594 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.3 CC1CNC(CN1)C MCULE-9213153746 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.3 CC1COC(CN1)C MCULE-4975068364 [0,0,0,0,0,0|3,1,0]=4 15 B8R1.3 CC1COC(CN1)C MCULE-6443209935 [0,0,0,0,0,0|3,1,0]=4 16 B8R1.3 CN1CCC(CC1)O MCULE-1769465111 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.3 CN1CCC(CC1)O MCULE-8742465276 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-1181513126 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-1902739569 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-4923873245 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-5091971479 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-7440788820 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-8869692501 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-8099689887 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-8746216012 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-9870191339 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.3 C[C@@H]1CN[C@@H](CN1)C MCULE-8787520292 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.3 C[C@@H]1CN[C@@H](CN1)C MCULE-9140502018 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1103945502 [0,0,0,0,0,0|3,1,0]=4 30 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1391537108 [0,0,0,0,0,0|3,1,0]=4 31 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1946095385 [0,0,0,0,0,0|3,1,0]=4 32 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-4549349129 [0,0,0,0,0,0|3,1,0]=4 33 B8R1.3 C[C@H]1CC[C@@H](CC1)N MCULE-4582129313 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.3 C[C@H]1CC[C@@H](CC1)N MCULE-8719793702 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.3 C[C@H]1CC[C@@H](CC1)O MCULE-9131864343 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.3 C[C@H]1CC[C@@H](CN1)O MCULE-4342382470 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.3 C[C@H]1CC[C@@H](CN1)O MCULE-7588845174 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.3 C[C@H]1CC[C@H](CC1)C MCULE-5381492320 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.3 C[C@H]1CC[C@H](CC1)N MCULE-5470842973 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.3 C[C@H]1CC[C@H](CC1)N MCULE-9610267582 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.3 C[C@H]1CC[C@H](CC1)O MCULE-3495737054 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-1161766631 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-1646727489 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-4706855730 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-6031163394 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.3 C[C@H]1CN[C@@H](CN1)C MCULE-1908384788 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.3 C[C@H]1CN[C@@H](CO1)C MCULE-4621250808 [0,0,0,0,0,0|3,1,0]=4 48 B8R1.3 C[C@H]1CN[C@@H](CO1)C MCULE-7331563103 [0,0,0,0,0,0|3,1,0]=4 49 B8R1.3 C[C@H]1CN[C@H](CN1)C MCULE-1173101457 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.3 C[C@H]1CN[C@H](CN1)C MCULE-2121261490 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.3 C[C@H]1CN[C@H](CN1)C MCULE-2499985362 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.3 C[C@H]1CN[C@H](CN1)C MCULE-5305716542 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.3 C[C@H]1CN[C@H](CN1)C MCULE-6011287763 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.3 C[C@H]1CO[C@@H](CN1)C MCULE-5045303209 [0,0,0,0,0,0|3,1,0]=4 55 B8R1.3 C[C@H]1CO[C@@H](CN1)C MCULE-8352332219 [0,0,0,0,0,0|3,1,0]=4 56 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-1410633938 [0,0,0,0,0,0|3,1,0]=4 57 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-1498993915 [0,0,0,0,0,0|3,1,0]=4 58 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-3545205619 [0,0,0,0,0,0|3,1,0]=4 59 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-5064602423 [0,0,0,0,0,0|3,1,0]=4 60 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-5773597642 [0,0,0,0,0,0|3,1,0]=4 61 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-6073716335 [0,0,0,0,0,0|3,1,0]=4 62 B8R1.3 ClC1CCC(CC1)Cl MCULE-4367918159 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.3 Cl[C@H]1CC[C@@H](CC1)Cl MCULE-8069533472 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.3 NC1CCC(CC1)Br MCULE-2984714817 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.3 NC1CCC(CC1)Br MCULE-7170151428 [0,0,0,0,0,0|4,0,0]=4 66 B8R1.3 NC1CCC(CC1)Cl MCULE-8982345279 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.3 NC1CCC(CC1)Cl MCULE-9224760506 [0,0,0,0,0,0|4,0,0]=4 68 B8R1.3 NC1CCC(CC1)F MCULE-1081012265 [0,0,0,0,0,0|4,0,0]=4 69 B8R1.3 NC1CCC(CC1)F MCULE-4888084170 [0,0,0,0,0,0|4,0,0]=4 70 B8R1.3 NC1CCC(CC1)I MCULE-1457514414 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.3 NC1CCC(CC1)I MCULE-8371155353 [0,0,0,0,0,0|4,0,0]=4 72 B8R1.3 NC1CCC(CC1)N MCULE-1675686185 [0,0,0,0,0,0|4,0,0]=4 73 B8R1.3 NC1CCC(CC1)N MCULE-9308852983 [0,0,0,0,0,0|4,0,0]=4 74 B8R1.3 NC1CCC(CC1)O MCULE-8546049036 [0,0,0,0,0,0|3,0,0]=3 75 B8R1.3 NC1CCC(CC1)O MCULE-9716076284 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.3 NN1CCC(CC1)O MCULE-8397021846 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.3 N[C@H]1CC[C@@H](CC1)F MCULE-6396367848 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.3 N[C@H]1CC[C@@H](CC1)F MCULE-6665686539 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.3 N[C@H]1CC[C@@H](CC1)N MCULE-5630099425 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.3 N[C@H]1CC[C@@H](CC1)N MCULE-7746015426 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.3 N[C@H]1CC[C@@H](CC1)O MCULE-5499393551 [0,0,0,0,0,0|3,0,0]=3 82 B8R1.3 N[C@H]1CC[C@@H](CC1)O MCULE-8986905038 [0,0,0,0,0,0|3,0,0]=3 83 B8R1.3 N[C@H]1CC[C@H](CC1)N MCULE-6319475446 [0,0,0,0,0,0|4,0,0]=4 84 B8R1.3 N[C@H]1CC[C@H](CC1)N MCULE-6552936289 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.3 N[C@H]1CC[C@H](CC1)O MCULE-2039471973 [0,0,0,0,0,0|3,0,0]=3 86 B8R1.3 N[C@H]1CC[C@H](CC1)O MCULE-9845054375 [0,0,0,0,0,0|3,0,0]=3 87 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,0,0,0,0,0|2,0,2]=4 88 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,0,0,0,0,0|2,0,2]=4 89 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,0,0,0|1,1,2]=4 90 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,0,0,0,0,0|2,0,2]=4 91 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,0,0,0,0,0|2,0,2]=4 92 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,0,0,0,0,0|2,0,2]=4 93 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,0,0,0,0,0|2,0,2]=4 94 B8R1.3 O=S1CCC(CC1)O MCULE-7693506009 [0,0,0,0,0,0|3,0,1]=4 95 B8R1.3 OC1CCC(CC1)Br MCULE-8198901639 [0,0,0,0,0,0|3,0,0]=3 96 B8R1.3 OC1CCC(CC1)Cl MCULE-2412299435 [0,0,0,0,0,0|3,0,0]=3 97 B8R1.3 OC1CCC(CC1)F MCULE-6919245281 [0,0,0,0,0,0|3,0,0]=3 98 B8R1.3 OC1CCC(CC1)O MCULE-1213045312 [0,0,0,0,0,0|2,0,0]=2 99 B8R1.3 OC1COC(CO1)O MCULE-6794444946 [0,0,0,0,0,0|0,2,0]=2 100 B8R1.3 OC1CSC(CS1)O MCULE-1661511057 [0,0,0,0,0,0|0,0,0]=0 101 B8R1.3 O[C@@H]1C=C[C@H](CC1)O MCULE-6358884039 [0,0,0,0,0,0|2,0,1]=3 102 B8R1.3 O[C@H]1C=C[C@@H](CC1)O MCULE-2727087872 [0,0,0,0,0,0|2,0,1]=3 103 B8R1.3 O[C@H]1C=C[C@@H](CC1)O MCULE-9017888653 [0,0,0,0,0,0|2,0,1]=3 104 B8R1.3 O[C@H]1CC[C@@H](CC1)O MCULE-5169653700 [0,0,0,0,0,0|2,0,0]=2 105 B8R1.3 O[C@H]1CC[C@H](CC1)O MCULE-1269237683 [0,0,0,0,0,0|2,0,0]=2 106 B8R1.3 [C@@H]1(CC[C@@H](CC1)C)C MCULE-9917903475 [0,0,0,0,0,0|4,0,0]=4 107 B8R1.3 [C@@H]1(CC[C@H](CC1)F)N MCULE-1471220632 [0,0,0,0,0,0|4,0,0]=4 108 B8R1.3 [C@@H]1(CC[C@H](CC1)F)N MCULE-2396143611 [0,0,0,0,0,0|4,0,0]=4 109 B8R1.3 [C@@H]1(CN[C@@H](CO1)C)C MCULE-3712952908 [0,0,0,0,0,0|3,1,0]=4 110 B8R1.3 [C@@H]1(CN[C@H](CN1)C)C MCULE-7018259993 [0,0,0,0,0,0|4,0,0]=4 111 B8R1.3 [C@@H]1(CN[C@H](CN1)C)C MCULE-9216505663 [0,0,0,0,0,0|4,0,0]=4 112 B7R1.3 BrC1CCCCC1 MCULE-7879113781 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.3 BrC1CCCCN1 MCULE-3863852230 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.3 BrC1CCCCO1 MCULE-3659439382 [1,0,0,0,0,0|2,1,0]=4 115 B7R1.3 BrC1CCCNC1 MCULE-5734359694 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.3 BrC1CCCNC1 MCULE-8772964999 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.3 BrC1CCCNC1 MCULE-9975168983 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.3 BrC1CCCOC1 MCULE-5781416415 [1,0,0,0,0,0|2,1,0]=4 119 B7R1.3 C1(CCCNC1)F MCULE-2873742972 [1,0,0,0,0,0|3,0,0]=4 120 B7R1.3 C1(CCCNC1)F MCULE-8247715411 [1,0,0,0,0,0|3,0,0]=4 121 B7R1.3 C1(CCCNC1)N MCULE-2184623611 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.3 C1(CCCNC1)N MCULE-6177601832 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.3 C1(CCCNC1)O MCULE-5944071030 [1,0,0,0,0,0|2,0,0]=3 124 B7R1.3 C1(CCCNC1)O MCULE-9769032939 [1,0,0,0,0,0|2,0,0]=3 125 B7R1.3 C1(CCCOC1)N MCULE-7160456966 [1,0,0,0,0,0|2,1,0]=4 126 B7R1.3 C1(CCCOC1)N MCULE-9418657332 [1,0,0,0,0,0|2,1,0]=4 127 B7R1.3 C1(CNCCN1)C MCULE-7759957935 [1,0,0,0,0,0|3,0,0]=4 128 B7R1.3 C1(CNCCO1)C MCULE-2805380245 [1,0,0,0,0,0|2,1,0]=4 129 B7R1.3 C1(CNCCO1)C MCULE-3532041523 [1,0,0,0,0,0|2,1,0]=4 130 B7R1.3 CC1CCCCC1 MCULE-3843525768 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.3 CC1CCCCN1 MCULE-1741870990 [1,0,0,0,0,0|3,0,0]=4 132 B7R1.3 CC1CCCCN1 MCULE-4453126703 [1,0,0,0,0,0|3,0,0]=4 133 B7R1.3 CC1CCCCN1 MCULE-6620063962 [1,0,0,0,0,0|3,0,0]=4 134 B7R1.3 CC1CCCCN1 MCULE-6838766744 [1,0,0,0,0,0|3,0,0]=4 135 B7R1.3 CC1CCCCN1 MCULE-9227931620 [1,0,0,0,0,0|3,0,0]=4 136 B7R1.3 CC1CCCCO1 MCULE-4439683294 [1,0,0,0,0,0|2,1,0]=4 137 B7R1.3 CC1CCCNC1 MCULE-3344207132 [1,0,0,0,0,0|3,0,0]=4 138 B7R1.3 CC1CCCNC1 MCULE-5707832183 [1,0,0,0,0,0|3,0,0]=4 139 B7R1.3 CC1CCCNC1 MCULE-7033850891 [1,0,0,0,0,0|3,0,0]=4 140 B7R1.3 CC1CCCNC1 MCULE-7153943487 [1,0,0,0,0,0|3,0,0]=4 141 B7R1.3 CC1CNCCN1 MCULE-2536395443 [1,0,0,0,0,0|3,0,0]=4 142 B7R1.3 CC1CNCCN1 MCULE-6313957247 [1,0,0,0,0,0|3,0,0]=4 143 B7R1.3 CC1CNCCO1 MCULE-3071497485 [1,0,0,0,0,0|2,1,0]=4 144 B7R1.3 CC1CNCCO1 MCULE-7956728736 [1,0,0,0,0,0|2,1,0]=4 145 B7R1.3 CC1CNCCS1 MCULE-7391261862 [1,0,0,0,0,0|2,0,0]=3 146 B7R1.3 CC1COCCN1 MCULE-1305824409 [1,0,0,0,0,0|2,1,0]=4 147 B7R1.3 CC1COCCN1 MCULE-4570632464 [1,0,0,0,0,0|2,1,0]=4 148 B7R1.3 CC1COCCN1 MCULE-6275555682 [1,0,0,0,0,0|2,1,0]=4 149 B7R1.3 CC1COCCN1 MCULE-8711024794 [1,0,0,0,0,0|2,1,0]=4 150 B7R1.3 CC1CSCCN1 MCULE-2923436126 [1,0,0,0,0,0|2,0,0]=3 151 B7R1.3 CC1SCCCS1 MCULE-8431698431 [1,0,0,0,0,0|3,0,0]=4 152 B7R1.3 C[C@@H]1CCCCN1 MCULE-1372285636 [1,0,0,0,0,0|3,0,0]=4 153 B7R1.3 C[C@@H]1CCCCN1 MCULE-1676908545 [1,0,0,0,0,0|3,0,0]=4 154 B7R1.3 C[C@@H]1CCCCN1 MCULE-4298634468 [1,0,0,0,0,0|3,0,0]=4 155 B7R1.3 C[C@@H]1CCCCN1 MCULE-6629826210 [1,0,0,0,0,0|3,0,0]=4 156 B7R1.3 C[C@@H]1CCCNC1 MCULE-1079173995 [1,0,0,0,0,0|3,0,0]=4 157 B7R1.3 C[C@@H]1CCCNC1 MCULE-1230145662 [1,0,0,0,0,0|3,0,0]=4 158 B7R1.3 C[C@@H]1CCCNC1 MCULE-3423787676 [1,0,0,0,0,0|3,0,0]=4 159 B7R1.3 C[C@@H]1CCCNC1 MCULE-9303264483 [1,0,0,0,0,0|3,0,0]=4 160 B7R1.3 C[C@@H]1CNCCN1 MCULE-2959336973 [1,0,0,0,0,0|3,0,0]=4 161 B7R1.3 C[C@@H]1CNCCN1 MCULE-3870060141 [1,0,0,0,0,0|3,0,0]=4 162 B7R1.3 C[C@@H]1CNCCN1 MCULE-4214817913 [1,0,0,0,0,0|3,0,0]=4 163 B7R1.3 C[C@@H]1CNCCN1 MCULE-4368092239 [1,0,0,0,0,0|3,0,0]=4 164 B7R1.3 C[C@@H]1CNCCO1 MCULE-1787977539 [1,0,0,0,0,0|2,1,0]=4 165 B7R1.3 C[C@@H]1CNCCO1 MCULE-2608004746 [1,0,0,0,0,0|2,1,0]=4 166 B7R1.3 C[C@@H]1CNCCO1 MCULE-5447097956 [1,0,0,0,0,0|2,1,0]=4 167 B7R1.3 C[C@@H]1CNCCO1 MCULE-9396954187 [1,0,0,0,0,0|2,1,0]=4 168 B7R1.3 C[C@@H]1COCCN1 MCULE-2750151013 [1,0,0,0,0,0|2,1,0]=4 169 B7R1.3 C[C@@H]1COCCN1 MCULE-4003273424 [1,0,0,0,0,0|2,1,0]=4 170 B7R1.3 C[C@@H]1COCCN1 MCULE-4627627990 [1,0,0,0,0,0|2,1,0]=4 171 B7R1.3 C[C@@H]1COCCN1 MCULE-8600287111 [1,0,0,0,0,0|2,1,0]=4 172 B7R1.3 C[C@@H]1CSCCN1 MCULE-2613889704 [1,0,0,0,0,0|2,0,0]=3 173 B7R1.3 C[C@H]1CCCCN1 MCULE-3586455704 [1,0,0,0,0,0|3,0,0]=4 174 B7R1.3 C[C@H]1CCCCN1 MCULE-5638638213 [1,0,0,0,0,0|3,0,0]=4 175 B7R1.3 C[C@H]1CCCCN1 MCULE-5867717461 [1,0,0,0,0,0|3,0,0]=4 176 B7R1.3 C[C@H]1CCCCN1 MCULE-7106826493 [1,0,0,0,0,0|3,0,0]=4 177 B7R1.3 C[C@H]1CCCNC1 MCULE-3372852932 [1,0,0,0,0,0|3,0,0]=4 178 B7R1.3 C[C@H]1CCCNC1 MCULE-5146147676 [1,0,0,0,0,0|3,0,0]=4 179 B7R1.3 C[C@H]1CCCNC1 MCULE-7894943546 [1,0,0,0,0,0|3,0,0]=4 180 B7R1.3 C[C@H]1CCCNC1 MCULE-8016414984 [1,0,0,0,0,0|3,0,0]=4 181 B7R1.3 C[C@H]1CNCCN1 MCULE-1403559972 [1,0,0,0,0,0|3,0,0]=4 182 B7R1.3 C[C@H]1CNCCN1 MCULE-5769724060 [1,0,0,0,0,0|3,0,0]=4 183 B7R1.3 C[C@H]1CNCCO1 MCULE-3158147539 [1,0,0,0,0,0|2,1,0]=4 184 B7R1.3 C[C@H]1CNCCO1 MCULE-5193705878 [1,0,0,0,0,0|2,1,0]=4 185 B7R1.3 C[C@H]1CNCCO1 MCULE-8337677707 [1,0,0,0,0,0|2,1,0]=4 186 B7R1.3 C[C@H]1CNCCO1 MCULE-9425432414 [1,0,0,0,0,0|2,1,0]=4 187 B7R1.3 C[C@H]1COCCN1 MCULE-1467834624 [1,0,0,0,0,0|2,1,0]=4 188 B7R1.3 C[C@H]1COCCN1 MCULE-3486079226 [1,0,0,0,0,0|2,1,0]=4 189 B7R1.3 C[C@H]1COCCN1 MCULE-5726525044 [1,0,0,0,0,0|2,1,0]=4 190 B7R1.3 C[C@H]1COCCN1 MCULE-9977133603 [1,0,0,0,0,0|2,1,0]=4 191 B7R1.3 C[C@H]1CSCCN1 MCULE-4076273874 [1,0,0,0,0,0|2,0,0]=3 192 B7R1.3 ClC1CCCCC1 MCULE-9519865350 [1,0,0,0,0,0|3,0,0]=4 193 B7R1.3 ClC1CCCCO1 MCULE-3251653488 [1,0,0,0,0,0|2,1,0]=4 194 B7R1.3 ClC1CCCNC1 MCULE-3870722463 [1,0,0,0,0,0|3,0,0]=4 195 B7R1.3 ClC1CCCNC1 MCULE-8461718443 [1,0,0,0,0,0|3,0,0]=4 196 B7R1.3 ClC1CCCOC1 MCULE-5733907796 [1,0,0,0,0,0|2,1,0]=4 197 B7R1.3 Cl[C@@H]1CCCNC1 MCULE-1513190720 [1,0,0,0,0,0|3,0,0]=4 198 B7R1.3 Cl[C@@H]1CCCNC1 MCULE-4702442384 [1,0,0,0,0,0|3,0,0]=4 199 B7R1.3 Cl[C@H]1CCCNC1 MCULE-1906196638 [1,0,0,0,0,0|3,0,0]=4 200 B7R1.3 Cl[C@H]1CCCNC1 MCULE-5435721723 [1,0,0,0,0,0|3,0,0]=4 201 B7R1.3 FC1CCCCC1 MCULE-4555555520 [1,0,0,0,0,0|3,0,0]=4 202 B7R1.3 FC1CCCCO1 MCULE-8724227177 [1,0,0,0,0,0|2,1,0]=4 203 B7R1.3 FC1CCCNC1 MCULE-1207637035 [1,0,0,0,0,0|3,0,0]=4 204 B7R1.3 FC1CCCNC1 MCULE-8874983109 [1,0,0,0,0,0|3,0,0]=4 205 B7R1.3 FC1CCCOC1 MCULE-9003204358 [1,0,0,0,0,0|2,1,0]=4 206 B7R1.3 F[C@@H]1CCCNC1 MCULE-1015853975 [1,0,0,0,0,0|3,0,0]=4 207 B7R1.3 F[C@@H]1CCCNC1 MCULE-2442101978 [1,0,0,0,0,0|3,0,0]=4 208 B7R1.3 F[C@@H]1CCCNC1 MCULE-3088687742 [1,0,0,0,0,0|3,0,0]=4 209 B7R1.3 F[C@@H]1CCCNC1 MCULE-3298158493 [1,0,0,0,0,0|3,0,0]=4 210 B7R1.3 F[C@H]1CCCNC1 MCULE-5863769143 [1,0,0,0,0,0|3,0,0]=4 211 B7R1.3 F[C@H]1CCCNC1 MCULE-9142728260 [1,0,0,0,0,0|3,0,0]=4 212 B7R1.3 F[C@H]1CCCNC1 MCULE-9496728832 [1,0,0,0,0,0|3,0,0]=4 213 B7R1.3 F[C@H]1CCCNC1 MCULE-9795686850 [1,0,0,0,0,0|3,0,0]=4 214 B7R1.3 IC1CCCCC1 MCULE-4499971048 [1,0,0,0,0,0|3,0,0]=4 215 B7R1.3 NC1=NCCSC1 MCULE-4272591822 [1,0,0,0,0,0|2,0,1]=4 216 B7R1.3 NC1CCCCC1 MCULE-1274688385 [1,0,0,0,0,0|3,0,0]=4 217 B7R1.3 NC1CCCCC1 MCULE-6218418825 [1,0,0,0,0,0|3,0,0]=4 218 B7R1.3 NC1CCCCC1 MCULE-7654331405 [1,0,0,0,0,0|3,0,0]=4 219 B7R1.3 NC1CCCCC1 MCULE-9211684304 [1,0,0,0,0,0|3,0,0]=4 220 B7R1.3 NC1CCCCN1 MCULE-8429969520 [1,0,0,0,0,0|3,0,0]=4 221 B7R1.3 NC1CCCNC1 MCULE-2846077424 [1,0,0,0,0,0|3,0,0]=4 222 B7R1.3 NC1CCCNC1 MCULE-6762552983 [1,0,0,0,0,0|3,0,0]=4 223 B7R1.3 NC1CCCNC1 MCULE-8978449052 [1,0,0,0,0,0|3,0,0]=4 224 B7R1.3 NC1CCCOC1 MCULE-3002610862 [1,0,0,0,0,0|2,1,0]=4 225 B7R1.3 NC1CCCOC1 MCULE-8678558313 [1,0,0,0,0,0|2,1,0]=4 226 B7R1.3 NC1CCCSC1 MCULE-5361360271 [1,0,0,0,0,0|2,0,0]=3 227 B7R1.3 NC1CCCSC1 MCULE-5652416535 [1,0,0,0,0,0|2,0,0]=3 228 B7R1.3 N[C@@H]1CCCNC1 MCULE-1539406556 [1,0,0,0,0,0|3,0,0]=4 229 B7R1.3 N[C@@H]1CCCNC1 MCULE-3403472114 [1,0,0,0,0,0|3,0,0]=4 230 B7R1.3 N[C@@H]1CCCNC1 MCULE-6313396868 [1,0,0,0,0,0|3,0,0]=4 231 B7R1.3 N[C@@H]1CCCNC1 MCULE-8281902784 [1,0,0,0,0,0|3,0,0]=4 232 B7R1.3 N[C@@H]1CCCOC1 MCULE-3329999118 [1,0,0,0,0,0|2,1,0]=4 233 B7R1.3 N[C@@H]1CCCOC1 MCULE-5434456311 [1,0,0,0,0,0|2,1,0]=4 234 B7R1.3 N[C@@H]1CCCOC1 MCULE-8416525332 [1,0,0,0,0,0|2,1,0]=4 235 B7R1.3 N[C@@H]1CCCOC1 MCULE-9941756618 [1,0,0,0,0,0|2,1,0]=4 236 B7R1.3 N[C@H]1CCCNC1 MCULE-1133561466 [1,0,0,0,0,0|3,0,0]=4 237 B7R1.3 N[C@H]1CCCNC1 MCULE-3601314617 [1,0,0,0,0,0|3,0,0]=4 238 B7R1.3 N[C@H]1CCCNC1 MCULE-4741120465 [1,0,0,0,0,0|3,0,0]=4 239 B7R1.3 N[C@H]1CCCNC1 MCULE-5291619589 [1,0,0,0,0,0|3,0,0]=4 240 B7R1.3 N[C@H]1CCCNC1 MCULE-8831721515 [1,0,0,0,0,0|3,0,0]=4 241 B7R1.3 N[C@H]1CCCOC1 MCULE-1619050625 [1,0,0,0,0,0|2,1,0]=4 242 B7R1.3 N[C@H]1CCCOC1 MCULE-4275969826 [1,0,0,0,0,0|2,1,0]=4 243 B7R1.3 N[C@H]1CCCOC1 MCULE-4421099383 [1,0,0,0,0,0|2,1,0]=4 244 B7R1.3 N[C@H]1CCCOC1 MCULE-9281030983 [1,0,0,0,0,0|2,1,0]=4 245 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [1,0,0,0,0,0|1,0,2]=4 246 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [1,0,0,0,0,0|1,0,2]=4 247 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [1,0,0,0,0,0|1,0,2]=4 248 B7R1.3 O=S1CCCSC1 MCULE-5552019770 [1,0,0,0,0,0|2,0,1]=4 249 B7R1.3 OC1C=CCCC1 MCULE-3255466542 [1,0,0,0,0,0|2,0,1]=4 250 B7R1.3 OC1C=CCNC1 MCULE-1616136732 [1,0,0,0,0,0|2,0,1]=4 251 B7R1.3 OC1C=CCNC1 MCULE-6073391464 [1,0,0,0,0,0|2,0,1]=4 252 B7R1.3 OC1C=CCOC1 MCULE-7810293257 [1,0,0,0,0,0|1,1,1]=4 253 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [1,0,0,0,0,0|2,0,1]=4 254 B7R1.3 OC1CCCCC1 MCULE-8217921343 [1,0,0,0,0,0|2,0,0]=3 255 B7R1.3 OC1CCCCN1 MCULE-7168605870 [1,0,0,0,0,0|2,0,0]=3 256 B7R1.3 OC1CCCCN1 MCULE-9833825308 [1,0,0,0,0,0|2,0,0]=3 257 B7R1.3 OC1CCCCO1 MCULE-1415784498 [1,0,0,0,0,0|1,1,0]=3 258 B7R1.3 OC1CCCNC1 MCULE-4557845355 [1,0,0,0,0,0|2,0,0]=3 259 B7R1.3 OC1CCCNC1 MCULE-6040312691 [1,0,0,0,0,0|2,0,0]=3 260 B7R1.3 OC1CCCOC1 MCULE-3820663957 [1,0,0,0,0,0|1,1,0]=3 261 B7R1.3 OC1CCCOC1 MCULE-4349250540 [1,0,0,0,0,0|1,1,0]=3 262 B7R1.3 OC1CCCSC1 MCULE-1448781710 [1,0,0,0,0,0|1,0,0]=2 263 B7R1.3 OC1CCNCC1 MCULE-3572807775 [1,0,0,0,0,0|3,0,0]=4 264 B7R1.3 OC1CCNCC1 MCULE-4216905638 [1,0,0,0,0,0|3,0,0]=4 265 B7R1.3 OC1CCNCC1 MCULE-8298401309 [1,0,0,0,0,0|3,0,0]=4 266 B7R1.3 OC1CCOCC1 MCULE-3789534226 [1,0,0,0,0,0|3,0,0]=4 267 B7R1.3 OC1CCSCC1 MCULE-6056663037 [1,0,0,0,0,0|3,0,0]=4 268 B7R1.3 OC1CNCCO1 MCULE-7048275202 [1,0,0,0,0,0|1,1,0]=3 269 B7R1.3 OC1CNCCO1 MCULE-9716087824 [1,0,0,0,0,0|1,1,0]=3 270 B7R1.3 OC1COCOC1 MCULE-1056094446 [1,0,0,0,0,0|2,1,0]=4 271 B7R1.3 ON1CCCCC1 MCULE-5529301217 [1,0,0,0,0,0|3,0,0]=4 272 B7R1.3 O[C@@H]1CCCNC1 MCULE-3395625072 [1,0,0,0,0,0|2,0,0]=3 273 B7R1.3 O[C@@H]1CCCNC1 MCULE-5041834047 [1,0,0,0,0,0|2,0,0]=3 274 B7R1.3 O[C@@H]1CCCNC1 MCULE-5939951996 [1,0,0,0,0,0|2,0,0]=3 275 B7R1.3 O[C@@H]1CCCNC1 MCULE-8822637089 [1,0,0,0,0,0|2,0,0]=3 276 B7R1.3 O[C@@H]1CCCOC1 MCULE-1439860824 [1,0,0,0,0,0|1,1,0]=3 277 B7R1.3 O[C@@H]1CCCOC1 MCULE-5515107963 [1,0,0,0,0,0|1,1,0]=3 278 B7R1.3 O[C@H]1C=CCCC1 MCULE-5543899109 [1,0,0,0,0,0|2,0,1]=4 279 B7R1.3 O[C@H]1CCCNC1 MCULE-3813591488 [1,0,0,0,0,0|2,0,0]=3 280 B7R1.3 O[C@H]1CCCNC1 MCULE-5223055424 [1,0,0,0,0,0|2,0,0]=3 281 B7R1.3 O[C@H]1CCCNC1 MCULE-7646198322 [1,0,0,0,0,0|2,0,0]=3 282 B7R1.3 O[C@H]1CCCNC1 MCULE-7875547684 [1,0,0,0,0,0|2,0,0]=3 283 B7R1.3 O[C@H]1CCCOC1 MCULE-2228949296 [1,0,0,0,0,0|1,1,0]=3 284 B7R1.3 O[C@H]1CCCOC1 MCULE-6500179909 [1,0,0,0,0,0|1,1,0]=3 285 B7R1.3 SC1CCCCC1 MCULE-2644288416 [1,0,0,0,0,0|2,1,0]=4 286 B7R1.3 SC1CCCNC1 MCULE-4464031027 [1,0,0,0,0,0|2,1,0]=4 287 B7R1.3 SC1CCCNC1 MCULE-5566651293 [1,0,0,0,0,0|2,1,0]=4 288 B7R1.3 SC1CCCOC1 MCULE-9540212924 [1,0,0,0,0,0|1,2,0]=4 289 B7R1.3 SC1NCCCS1 MCULE-3586134698 [1,0,0,0,0,0|2,1,0]=4 290 B7R1.3 S[C@H]1CCCNC1 MCULE-5377455102 [1,0,0,0,0,0|2,1,0]=4 291 B7R1.3 S[C@H]1CCCNC1 MCULE-9668422285 [1,0,0,0,0,0|2,1,0]=4 292 B7R1.3 [NH3+]C1CCCCC1 MCULE-7876724648 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.1 C#CC1CCC(CC1)O MCULE-6461950655 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.1 C#C[C@H]1CC[C@@H](CC1)O MCULE-3971807040 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.1 CC1CCC(CC1)CO MCULE-4775289633 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.1 CC1CCC(CN1)CO MCULE-4885325889 [0,1,0,0,0,0|3,0,0]=4 297 B9R1.1 CC1CCC(CN1)CO MCULE-7825916156 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.1 CC1CCC(NC1)CO MCULE-3943626768 [0,1,0,0,0,0|3,0,0]=4 299 B9R1.1 CC1CCC(NC1)CO MCULE-6105965267 [0,1,0,0,0,0|3,0,0]=4 300 B9R1.1 CC1CNC(CN1)CO MCULE-1614236035 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.1 CC1CNC(CN1)CO MCULE-5390030755 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.1 CC1CNC(CN1)CO MCULE-9969171906 [0,1,0,0,0,0|3,0,0]=4 303 B9R1.1 CC1COC(CN1)CO MCULE-1554968868 [0,1,0,0,0,0|2,1,0]=4 304 B9R1.1 CCC1CCC(CC1)O MCULE-8097752772 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.1 CC[C@H]1CC[C@@H](CC1)O MCULE-2707983247 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.1 CC[C@H]1CC[C@H](CC1)O MCULE-2491233696 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.1 CNC1CCC(CC1)O MCULE-4830228871 [0,1,0,0,0,0|3,0,0]=4 308 B9R1.1 CNC1CCC(CC1)O MCULE-6477610530 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.1 CN[C@H]1CC[C@@H](CC1)O MCULE-1022113223 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.1 CN[C@H]1CC[C@@H](CC1)O MCULE-1356433778 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.1 CN[C@H]1CC[C@H](CC1)O MCULE-1490699426 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.1 CN[C@H]1CC[C@H](CC1)O MCULE-7508857663 [0,1,0,0,0,0|3,0,0]=4 313 B9R1.1 COC1=CCC(CC1)O MCULE-8647551052 [0,1,0,0,0,0|2,0,1]=4 314 B9R1.1 COC1CCC(CC1)C MCULE-7339052202 [0,1,0,0,0,0|3,0,0]=4 315 B9R1.1 COC1CCC(CC1)N MCULE-2795199231 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.1 COC1CCC(CC1)N MCULE-5693399345 [0,1,0,0,0,0|3,0,0]=4 317 B9R1.1 COC1CCC(CC1)O MCULE-7486081080 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.1 COC1CCC(NC1)C MCULE-9387169751 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.1 CO[C@H]1CC[C@@H](CC1)N MCULE-7922484076 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.1 CO[C@H]1CC[C@@H](CC1)N MCULE-8209407868 [0,1,0,0,0,0|3,0,0]=4 321 B9R1.1 CO[C@H]1CC[C@@H](CC1)O MCULE-6913861887 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.1 CO[C@H]1CC[C@H](CC1)N MCULE-4604239385 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.1 CO[C@H]1CC[C@H](CC1)N MCULE-6766317879 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.1 C[C@@H]1CC[C@H](CN1)CO MCULE-5971217485 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.1 C[C@@H]1CC[C@H](CN1)CO MCULE-6553308509 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.1 C[C@@H]1CC[C@H](CN1)CO MCULE-8196926230 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.1 C[C@@H]1CN[C@@H](CN1)CO MCULE-1352735683 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.1 C[C@@H]1CN[C@@H](CN1)CO MCULE-9858180760 [0,1,0,0,0,0|3,0,0]=4 329 B9R1.1 C[C@@H]1CN[C@H](CN1)CO MCULE-1821680880 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.1 C[C@@H]1CN[C@H](CN1)CO MCULE-3362911354 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.1 C[C@@H]1CN[C@H](CN1)CO MCULE-5387806502 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.1 C[C@@H]1CN[C@H](CN1)CO MCULE-5622504658 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.1 C[C@@H]1CN[C@H](CN1)CO MCULE-8906918574 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.1 C[C@@H]1CN[C@H](CN1)CO MCULE-9114523826 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.1 C[C@H]1CC[C@@H](CC1)CO MCULE-1712721816 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.1 C[C@H]1CC[C@H](CC1)CO MCULE-8606500963 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.1 C[C@H]1CC[C@H](CN1)CO MCULE-1261345487 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.1 C[C@H]1CC[C@H](CN1)CO MCULE-5775202289 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.1 C[C@H]1CC[C@H](CN1)CO MCULE-6083345009 [0,1,0,0,0,0|3,0,0]=4 340 B9R1.1 C[C@H]1CC[C@H](CN1)CO MCULE-6509601128 [0,1,0,0,0,0|3,0,0]=4 341 B9R1.1 C[C@H]1CN[C@@H](CN1)CO MCULE-3337276228 [0,1,0,0,0,0|3,0,0]=4 342 B9R1.1 C[C@H]1CN[C@@H](CN1)CO MCULE-4042671077 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.1 C[C@H]1CN[C@@H](CN1)CO MCULE-4706980610 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.1 C[C@H]1CN[C@@H](CN1)CO MCULE-6668546612 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.1 C[C@H]1CN[C@@H](CN1)CO MCULE-7908897272 [0,1,0,0,0,0|3,0,0]=4 346 B9R1.1 N#CC1CCC(CC1)O MCULE-6628865106 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.1 N#C[C@H]1CC[C@@H](CC1)O MCULE-9374679419 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.1 NC1CCC(CC1)CO MCULE-2058020777 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.1 NC1CCC(CC1)CO MCULE-9932194679 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.1 NC1CCC(OC1)CO MCULE-4245301257 [0,1,0,0,0,0|2,1,0]=4 351 B9R1.1 NC1CCC(OC1)CO MCULE-4483575448 [0,1,0,0,0,0|2,1,0]=4 352 B9R1.1 NCC1CCC(CC1)O MCULE-1773102107 [0,1,0,0,0,0|3,0,0]=4 353 B9R1.1 NCC1CCC(CC1)O MCULE-3605496824 [0,1,0,0,0,0|3,0,0]=4 354 B9R1.1 NCC1CCC(CO1)O MCULE-3286854000 [0,1,0,0,0,0|2,1,0]=4 355 B9R1.1 NC[C@H]1CC[C@@H](CC1)O MCULE-3725371515 [0,1,0,0,0,0|3,0,0]=4 356 B9R1.1 NC[C@H]1CC[C@@H](CC1)O MCULE-3796180406 [0,1,0,0,0,0|3,0,0]=4 357 B9R1.1 NC[C@H]1CC[C@H](CC1)O MCULE-6015230551 [0,1,0,0,0,0|3,0,0]=4 358 B9R1.1 NC[C@H]1CC[C@H](CC1)O MCULE-9189660845 [0,1,0,0,0,0|3,0,0]=4 359 B9R1.1 N[C@@H]1CC[C@H](OC1)CO MCULE-5075594203 [0,1,0,0,0,0|2,1,0]=4 360 B9R1.1 N[C@@H]1CC[C@H](OC1)CO MCULE-6987959950 [0,1,0,0,0,0|2,1,0]=4 361 B9R1.1 N[C@H]1CC[C@@H](CC1)CO MCULE-3217313684 [0,1,0,0,0,0|3,0,0]=4 362 B9R1.1 N[C@H]1CC[C@@H](CC1)CO MCULE-5128673214 [0,1,0,0,0,0|3,0,0]=4 363 B9R1.1 N[C@H]1CC[C@H](CC1)CO MCULE-4030751832 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.1 N[C@H]1CC[C@H](CC1)CO MCULE-7261455396 [0,1,0,0,0,0|3,0,0]=4 365 B9R1.1 N[C@H]1CC[C@H](OC1)CO MCULE-2411909324 [0,1,0,0,0,0|2,1,0]=4 366 B9R1.1 OC1CCC(CC1)CCl MCULE-3310167491 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.1 OCC1CCC(CC1)F MCULE-9846629385 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.1 OCC1CCC(CC1)O MCULE-2821884453 [0,1,0,0,0,0|2,0,0]=3 369 B9R1.1 OCC1CCC(CO1)O MCULE-4333559257 [0,1,0,0,0,0|1,1,0]=3 370 B9R1.1 OC[C@H]1CC[C@@H](CC1)O MCULE-4903112146 [0,1,0,0,0,0|2,0,0]=3 371 B9R1.1 OC[C@H]1CC[C@H](CC1)O MCULE-5364161264 [0,1,0,0,0,0|2,0,0]=3 372 B9R1.10 CC1(CCC(CC1)N)O MCULE-1681425429 [0,1,0,0,0,0|3,0,0]=4 373 B9R1.10 CC1(CCC(CC1)N)O MCULE-1957680403 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.10 CC1(CCC(CC1)O)C MCULE-7277990161 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.10 CC1(CCC(CC1)O)N MCULE-1833594604 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.10 CC1(CCC(CC1)O)N MCULE-6900445969 [0,1,0,0,0,0|3,0,0]=4 377 B9R1.10 CC1(CCC(CC1)O)O MCULE-9281543263 [0,1,0,0,0,0|2,0,0]=3 378 B9R1.10 C[C@@]1(CC[C@@H](CC1)N)O MCULE-7329013205 [0,1,0,0,0,0|3,0,0]=4 379 B9R1.10 C[C@@]1(CC[C@@H](CC1)N)O MCULE-8018632586 [0,1,0,0,0,0|3,0,0]=4 380 B9R1.10 C[C@@]1(CC[C@@H](CC1)O)N MCULE-3087940747 [0,1,0,0,0,0|3,0,0]=4 381 B9R1.10 C[C@@]1(CC[C@@H](CC1)O)N MCULE-7156866787 [0,1,0,0,0,0|3,0,0]=4 382 B9R1.10 C[C@@]1(CC[C@@H](CC1)O)O MCULE-9357645329 [0,1,0,0,0,0|2,0,0]=3 383 B9R1.10 C[C@@]1(CC[C@H](CC1)N)O MCULE-6289246957 [0,1,0,0,0,0|3,0,0]=4 384 B9R1.10 C[C@@]1(CC[C@H](CC1)O)N MCULE-3485238443 [0,1,0,0,0,0|3,0,0]=4 385 B9R1.10 C[C@@]1(CC[C@H](CC1)O)N MCULE-9383956927 [0,1,0,0,0,0|3,0,0]=4 386 B9R1.10 C[C@@]1(CC[C@H](CC1)O)O MCULE-8566504105 [0,1,0,0,0,0|2,0,0]=3 387 B9R1.10 OC1CCC(CC1)(F)F MCULE-7530113152 [0,1,0,0,0,0|3,0,0]=4 388 B9R1.69 CC1CC(CCC1O)N MCULE-2064143098 [0,1,0,0,0,0|3,0,0]=4 389 B9R1.69 CC1CCC(C(C1)C)O MCULE-1958135453 [0,1,0,0,0,0|3,0,0]=4 390 B9R1.69 CC1CCC(CC1C)O MCULE-6171532647 [0,1,0,0,0,0|3,0,0]=4 391 B9R1.69 OC1CC(C(CO1)O)O MCULE-3654762746 [0,1,0,0,0,0|1,1,0]=3 392 B9R1.69 OC1C[C@@H]([C@@H](CO1)O)O MCULE-2084054051 [0,1,0,0,0,0|1,1,0]=3 393 B9R1.69 OC1C[C@@H]([C@@H](CO1)O)O MCULE-9105480679 [0,1,0,0,0,0|1,1,0]=3 394 B9R1.69 OC1C[C@H]([C@H](CO1)O)O MCULE-7375065985 [0,1,0,0,0,0|1,1,0]=3 395 B7R0.3 CC(CN)CCCO MCULE-2908684674 [0,0,1,0,0,0|3,0,0]=4 396 B7R0.3 CC(CN)CCCO MCULE-5608783947 [0,0,1,0,0,0|3,0,0]=4 397 B7R0.3 CC(CN)CCCO MCULE-9269954426 [0,0,1,0,0,0|3,0,0]=4 398 B7R0.3 CC(CO)CCCO MCULE-8589885622 [0,0,1,0,0,0|2,1,0]=4 399 B7R0.3 CC(CO)NCCO MCULE-5180763491 [0,0,1,0,0,0|2,1,0]=4 400 B7R0.3 CCC(C)CCCO MCULE-2323419626 [0,0,1,0,0,0|3,0,0]=4 401 B7R0.3 CCC(C)NCCO MCULE-1340916666 [0,0,1,0,0,0|3,0,0]=4 402 B7R0.3 CCC(N)CCCO MCULE-3868205501 [0,0,1,0,0,0|3,0,0]=4 403 B7R0.3 CCC(O)CCCN MCULE-1491163174 [0,0,1,0,0,0|3,0,0]=4 404 B7R0.3 CCC(O)CCCN MCULE-5150508895 [0,0,1,0,0,0|3,0,0]=4 405 B7R0.3 CCC(O)CCCO MCULE-1099760826 [0,0,1,0,0,0|2,0,0]=3 406 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [0,0,1,0,0,0|3,0,0]=4 407 B7R0.3 CCCCC(O)CC MCULE-3912386534 [0,0,1,0,0,0|3,0,0]=4 408 B7R0.3 CCCCC(O)CN MCULE-1383380728 [0,0,1,0,0,0|3,0,0]=4 409 B7R0.3 CCCCC(O)CO MCULE-6903923961 [0,0,1,0,0,0|2,1,0]=4 410 B7R0.3 CCNCC(O)CC MCULE-9820144398 [0,0,1,0,0,0|3,0,0]=4 411 B7R0.3 CCSCC(C)NC MCULE-6245105657 [0,0,1,0,0,0|3,0,0]=4 412 B7R0.3 CC[C@H](C)CCCO MCULE-1760153718 [0,0,1,0,0,0|3,0,0]=4 413 B7R0.3 CC[C@H](C)CCCO MCULE-3488695651 [0,0,1,0,0,0|3,0,0]=4 414 B7R0.3 C[C@@H](CN)CCCO MCULE-2859776250 [0,0,1,0,0,0|3,0,0]=4 415 B7R0.3 C[C@@H](CN)CCCO MCULE-3245433953 [0,0,1,0,0,0|3,0,0]=4 416 B7R0.3 C[C@@H](CN)CCCO MCULE-7698870351 [0,0,1,0,0,0|3,0,0]=4 417 B7R0.3 C[C@@H](CN)CCCO MCULE-9900676606 [0,0,1,0,0,0|3,0,0]=4 418 B7R0.3 OCCCC(O)CO MCULE-3529953491 [0,0,1,0,0,0|1,1,0]=3 419 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [0,0,1,0,0,0|3,0,0]=4 420 B7R0.6 CC(C)OC[C@H](C)O MCULE-2195035455 [0,0,1,0,0,0|2,1,0]=4 421 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,0,1,0,0,0|1,1,1]=4 422 B7R0.6 CC(O)C#CC(C)O MCULE-5307271719 [0,0,1,0,0,0|2,0,1]=4 423 B7R0.6 CC(O)C=CC(C)O MCULE-1362403822 [0,0,1,0,0,0|2,0,1]=4 424 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,1,0,0,0|1,1,1]=4 425 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [0,0,1,0,0,0|2,0,0]=3 426 B7R0.6 CC(O)CNC(C)C MCULE-9932831006 [0,0,1,0,0,0|3,0,0]=4 427 B7R0.6 CC(O)COC(C)C MCULE-3357280817 [0,0,1,0,0,0|2,1,0]=4 428 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [0,0,1,0,0,0|2,0,0]=3 429 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [0,0,1,0,0,0|2,0,0]=3 430 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [0,0,1,0,0,0|2,0,0]=3 431 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [0,0,1,0,0,0|2,0,0]=3 432 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [0,0,1,0,0,0|2,0,0]=3 433 B9R2.21 CC1CCC2OC2C1 MCULE-6465413460 [0,0,0,1,0,0|3,0,0]=4 434 B9R2.49 C1CC2CCC1NO2 MCULE-4140193508 [0,0,0,1,0,0|3,0,0]=4 435 B9R2.49 C1CC2CCC1NO2 MCULE-8213101233 [0,0,0,1,0,0|3,0,0]=4 436 B9R2.49 C1CC2CNC1CO2 MCULE-3206976699 [0,0,0,1,0,0|3,0,0]=4 437 B9R2.49 C1CC2CNC1CO2 MCULE-7670526515 [0,0,0,1,0,0|3,0,0]=4 438 B9R2.49 C1CC2CNC1CO2 MCULE-8543856318 [0,0,0,1,0,0|3,0,0]=4 439 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 MCULE-2948541450 [0,0,0,1,0,0|3,0,0]=4 440 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 MCULE-7453970603 [0,0,0,1,0,0|3,0,0]=4 441 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 MCULE-3527188077 [0,0,0,1,0,0|3,0,0]=4 442 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 MCULE-4776793272 [0,0,0,1,0,0|3,0,0]=4 443 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 MCULE-7279586694 [0,0,0,1,0,0|3,0,0]=4 444 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 MCULE-7746905535 [0,0,0,1,0,0|3,0,0]=4 445 B9R2.49 [C@@H]12CC[C@@H](CN1)OC2 MCULE-1116503015 [0,0,0,1,0,0|3,0,0]=4 446 B9R2.49 [C@H]12CC[C@H](CN1)OC2 MCULE-2654811800 [0,0,0,1,0,0|3,0,0]=4 447 B9R2.49 [C@H]12CC[C@H](CN1)OC2 MCULE-3318924162 [0,0,0,1,0,0|3,0,0]=4 448 B9R2.110 OC12CCC(C1)CC2 MCULE-6779700955 [0,0,0,1,0,0|3,0,0]=4 449 B7R1.2 C1(CCN(C1)C)O MCULE-5142099784 [0,0,0,0,1,0|3,0,0]=4 450 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,0,0,0,1,0|1,0,2]=4 451 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,0,0,0,1,0|1,0,2]=4 452 B7R1.2 CC1CC(CN1)F MCULE-5211772527 [0,0,0,0,1,0|3,0,0]=4 453 B7R1.2 CC1CC(CN1)F MCULE-6845898511 [0,0,0,0,1,0|3,0,0]=4 454 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [0,0,0,0,1,0|2,0,0]=3 455 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [0,0,0,0,1,0|2,0,0]=3 456 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [0,0,0,0,1,0|2,1,0]=4 457 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [0,0,0,0,1,0|2,1,0]=4 458 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [0,0,0,0,1,0|1,1,0]=3 459 B7R1.2 CC1CC(CS1)N MCULE-2886562999 [0,0,0,0,1,0|2,0,0]=3 460 B7R1.2 CC1CCC(C1)Br MCULE-3834311364 [0,0,0,0,1,0|3,0,0]=4 461 B7R1.2 CC1CCC(C1)Cl MCULE-7669391571 [0,0,0,0,1,0|3,0,0]=4 462 B7R1.2 CC1CCC(C1)N MCULE-3681457592 [0,0,0,0,1,0|3,0,0]=4 463 B7R1.2 CC1CCC(C1)N MCULE-8238390084 [0,0,0,0,1,0|3,0,0]=4 464 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [0,0,0,0,1,0|2,0,0]=3 465 B7R1.2 CC1CNC(C1)C MCULE-3051496448 [0,0,0,0,1,0|3,0,0]=4 466 B7R1.2 CC1CNC(C1)C MCULE-9324057254 [0,0,0,0,1,0|3,0,0]=4 467 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,0,0,0,1,0|1,0,2]=4 468 B7R1.2 CN1CCC(C1)O MCULE-7899934177 [0,0,0,0,1,0|3,0,0]=4 469 B7R1.2 CN1CC[C@@H](C1)O MCULE-1236945758 [0,0,0,0,1,0|3,0,0]=4 470 B7R1.2 CN1CC[C@@H](C1)O MCULE-4275527304 [0,0,0,0,1,0|3,0,0]=4 471 B7R1.2 CN1CC[C@H](C1)O MCULE-6665002754 [0,0,0,0,1,0|3,0,0]=4 472 B7R1.2 CN1CC[C@H](C1)O MCULE-8080661086 [0,0,0,0,1,0|3,0,0]=4 473 B7R1.2 C[C@@H]1CC[C@@H](C1)N MCULE-9471729241 [0,0,0,0,1,0|3,0,0]=4 474 B7R1.2 C[C@@H]1CC[C@H](C1)N MCULE-5368765184 [0,0,0,0,1,0|3,0,0]=4 475 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-1790804170 [0,0,0,0,1,0|3,0,0]=4 476 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-2224321786 [0,0,0,0,1,0|3,0,0]=4 477 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-6164070045 [0,0,0,0,1,0|3,0,0]=4 478 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-6870592338 [0,0,0,0,1,0|3,0,0]=4 479 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [0,0,0,0,1,0|2,0,0]=3 480 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [0,0,0,0,1,0|2,0,0]=3 481 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [0,0,0,0,1,0|2,0,0]=3 482 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [0,0,0,0,1,0|2,0,0]=3 483 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-1165785658 [0,0,0,0,1,0|3,0,0]=4 484 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-2237025386 [0,0,0,0,1,0|3,0,0]=4 485 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-4695463101 [0,0,0,0,1,0|3,0,0]=4 486 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-9859386988 [0,0,0,0,1,0|3,0,0]=4 487 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [0,0,0,0,1,0|2,0,0]=3 488 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [0,0,0,0,1,0|2,0,0]=3 489 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [0,0,0,0,1,0|2,0,0]=3 490 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [0,0,0,0,1,0|2,0,0]=3 491 B7R1.2 C[C@H]1CC[C@@H](C1)N MCULE-1080493056 [0,0,0,0,1,0|3,0,0]=4 492 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [0,0,0,0,1,0|3,0,0]=4 493 B7R1.2 C[C@H]1CC[C@H](C1)N MCULE-7070775136 [0,0,0,0,1,0|3,0,0]=4 494 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-1742492020 [0,0,0,0,1,0|3,0,0]=4 495 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-4690497151 [0,0,0,0,1,0|3,0,0]=4 496 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-7372620241 [0,0,0,0,1,0|3,0,0]=4 497 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-8319027426 [0,0,0,0,1,0|3,0,0]=4 498 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [0,0,0,0,1,0|2,0,0]=3 499 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [0,0,0,0,1,0|2,0,0]=3 500 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [0,0,0,0,1,0|2,0,0]=3 501 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [0,0,0,0,1,0|2,0,0]=3 502 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-1099206732 [0,0,0,0,1,0|3,0,0]=4 503 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-8257992498 [0,0,0,0,1,0|3,0,0]=4 504 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-8335445065 [0,0,0,0,1,0|3,0,0]=4 505 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-9395416229 [0,0,0,0,1,0|3,0,0]=4 506 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [0,0,0,0,1,0|2,0,0]=3 507 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [0,0,0,0,1,0|2,0,0]=3 508 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [0,0,0,0,1,0|2,0,0]=3 509 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [0,0,0,0,1,0|2,0,0]=3 510 B7R1.2 NC1C=CC(C1)O MCULE-1250487700 [0,0,0,0,1,0|2,0,1]=4 511 B7R1.2 NC1CCC(C1)F MCULE-1052463910 [0,0,0,0,1,0|3,0,0]=4 512 B7R1.2 NC1CCC(C1)F MCULE-1362820422 [0,0,0,0,1,0|3,0,0]=4 513 B7R1.2 NC1CCC(C1)N MCULE-7855552124 [0,0,0,0,1,0|3,0,0]=4 514 B7R1.2 NC1CCC(C1)N MCULE-9706705284 [0,0,0,0,1,0|3,0,0]=4 515 B7R1.2 NC1CCC(C1)O MCULE-5821071286 [0,0,0,0,1,0|2,0,0]=3 516 B7R1.2 NC1CCC(C1)O MCULE-9391783901 [0,0,0,0,1,0|2,0,0]=3 517 B7R1.2 N[C@@H]1C=C[C@@H](C1)O MCULE-3439280280 [0,0,0,0,1,0|2,0,1]=4 518 B7R1.2 N[C@@H]1CC[C@@H](C1)F MCULE-1039943323 [0,0,0,0,1,0|3,0,0]=4 519 B7R1.2 N[C@@H]1CC[C@@H](C1)F MCULE-3861238775 [0,0,0,0,1,0|3,0,0]=4 520 B7R1.2 N[C@@H]1CC[C@@H](C1)F MCULE-4709681384 [0,0,0,0,1,0|3,0,0]=4 521 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-2973461190 [0,0,0,0,1,0|2,0,0]=3 522 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-5462229704 [0,0,0,0,1,0|2,0,0]=3 523 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-6746606174 [0,0,0,0,1,0|2,0,0]=3 524 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7196403409 [0,0,0,0,1,0|2,0,0]=3 525 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7511735313 [0,0,0,0,1,0|2,0,0]=3 526 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-9023897758 [0,0,0,0,1,0|2,0,0]=3 527 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-1973308112 [0,0,0,0,1,0|3,0,0]=4 528 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-2885294836 [0,0,0,0,1,0|3,0,0]=4 529 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-3217124168 [0,0,0,0,1,0|3,0,0]=4 530 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-3983968357 [0,0,0,0,1,0|3,0,0]=4 531 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-2953432986 [0,0,0,0,1,0|3,0,0]=4 532 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-5679004800 [0,0,0,0,1,0|3,0,0]=4 533 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-7275989455 [0,0,0,0,1,0|3,0,0]=4 534 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-9713633356 [0,0,0,0,1,0|3,0,0]=4 535 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-3286276562 [0,0,0,0,1,0|2,0,0]=3 536 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-5345953109 [0,0,0,0,1,0|2,0,0]=3 537 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-6442703385 [0,0,0,0,1,0|2,0,0]=3 538 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-7457197538 [0,0,0,0,1,0|2,0,0]=3 539 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-2880951702 [0,0,0,0,1,0|2,0,1]=4 540 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-7715311088 [0,0,0,0,1,0|2,0,1]=4 541 B7R1.2 N[C@H]1CC[C@@H](C1)F MCULE-7847317272 [0,0,0,0,1,0|3,0,0]=4 542 B7R1.2 N[C@H]1CC[C@@H](C1)F MCULE-8833201415 [0,0,0,0,1,0|3,0,0]=4 543 B7R1.2 N[C@H]1CC[C@@H](C1)N MCULE-3035711729 [0,0,0,0,1,0|3,0,0]=4 544 B7R1.2 N[C@H]1CC[C@@H](C1)N MCULE-6912512686 [0,0,0,0,1,0|3,0,0]=4 545 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-2764158583 [0,0,0,0,1,0|2,0,0]=3 546 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-5047569623 [0,0,0,0,1,0|2,0,0]=3 547 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-7674066148 [0,0,0,0,1,0|2,0,0]=3 548 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-8478778872 [0,0,0,0,1,0|2,0,0]=3 549 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-1792150017 [0,0,0,0,1,0|3,0,0]=4 550 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-4563758183 [0,0,0,0,1,0|3,0,0]=4 551 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-4785441600 [0,0,0,0,1,0|3,0,0]=4 552 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-5413630050 [0,0,0,0,1,0|3,0,0]=4 553 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-7223746698 [0,0,0,0,1,0|3,0,0]=4 554 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-9000616089 [0,0,0,0,1,0|3,0,0]=4 555 B7R1.2 N[C@H]1CC[C@H](C1)N MCULE-3378648870 [0,0,0,0,1,0|3,0,0]=4 556 B7R1.2 N[C@H]1CC[C@H](C1)N MCULE-7356571170 [0,0,0,0,1,0|3,0,0]=4 557 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-3786824722 [0,0,0,0,1,0|2,0,0]=3 558 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-4140170961 [0,0,0,0,1,0|2,0,0]=3 559 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5760466174 [0,0,0,0,1,0|2,0,0]=3 560 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5995468864 [0,0,0,0,1,0|2,0,0]=3 561 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-6230469368 [0,0,0,0,1,0|2,0,0]=3 562 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-9622062244 [0,0,0,0,1,0|2,0,0]=3 563 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,0,0,0,1,0|1,0,2]=4 564 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,0,1,0|0,1,2]=4 565 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,0,1,0|0,1,2]=4 566 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,0,1,0|1,0,2]=4 567 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,0,0,0,1,0|1,0,2]=4 568 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,0,0,0,1,0|1,0,2]=4 569 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,0,1,0|0,1,2]=4 570 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,0,1,0|0,1,2]=4 571 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,0,0,0,1,0|1,0,2]=4 572 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,0,0,0,1,0|1,0,2]=4 573 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,0,1,0|0,1,2]=4 574 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,0,1,0|0,1,2]=4 575 B7R1.2 OC1C=CC(C1)O MCULE-9792113599 [0,0,0,0,1,0|1,0,1]=3 576 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [0,0,0,0,1,0|1,0,0]=2 577 B7R1.2 OC1CCC(O1)O MCULE-8012370358 [0,0,0,0,1,0|1,1,0]=3 578 B7R1.2 O[C@@H]1C=C[C@@H](C1)O MCULE-7187295032 [0,0,0,0,1,0|1,0,1]=3 579 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [0,0,0,0,1,0|1,0,0]=2 580 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [0,0,0,0,1,0|1,0,0]=2 581 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [0,0,0,0,1,0|1,0,0]=2 582 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-3137346382 [0,0,0,0,1,0|2,0,0]=3 583 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-9954737796 [0,0,0,0,1,0|2,0,0]=3 584 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [0,0,0,0,1,0|1,0,0]=2 585 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [0,0,0,0,1,0|2,0,0]=3 586 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [0,0,0,0,1,0|2,0,0]=3 587 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [0,0,0,0,1,0|2,0,0]=3 588 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [0,0,0,0,1,0|2,0,0]=3 589 B9R1.49 NC1CCCC(CC1)O MCULE-5371360262 [0,0,0,0,0,1|3,0,0]=4 590 B9R1.49 NC1CCCC(CC1)O MCULE-7262958041 [0,0,0,0,0,1|3,0,0]=4 591 B9R1.49 N[C@@H]1CCC[C@@H](CC1)O MCULE-1133973283 [0,0,0,0,0,1|3,0,0]=4 592 B9R1.49 N[C@@H]1CCC[C@@H](CC1)O MCULE-4169090989 [0,0,0,0,0,1|3,0,0]=4 593 B9R1.49 N[C@@H]1CCC[C@H](CC1)O MCULE-2007393276 [0,0,0,0,0,1|3,0,0]=4 594 B9R1.49 N[C@H]1CCC[C@@H](CC1)O MCULE-2524209060 [0,0,0,0,0,1|3,0,0]=4 595 B9R1.49 N[C@H]1CCC[C@H](CC1)O MCULE-3889106863 [0,0,0,0,0,1|3,0,0]=4 596 B6R0.1 CC(CN)CCO MCULE-5515163518 [1,0,1,0,0,0|2,0,0]=4 597 B6R0.1 CC(CO)CCO MCULE-5240961149 [1,0,1,0,0,0|1,1,0]=4 598 B6R0.1 CC(CO)CCO MCULE-8678967805 [1,0,1,0,0,0|1,1,0]=4 599 B6R0.1 CCC(C)CCO MCULE-6482427735 [1,0,1,0,0,0|2,0,0]=4 600 B6R0.1 CCC(N)CCO MCULE-1511155206 [1,0,1,0,0,0|2,0,0]=4 601 B6R0.1 CCC(N)CCO MCULE-5525302643 [1,0,1,0,0,0|2,0,0]=4 602 B6R0.1 CCC(N)CSC MCULE-9145513729 [1,0,1,0,0,0|2,0,0]=4 603 B6R0.1 CCC(O)CCN MCULE-5387303971 [1,0,1,0,0,0|2,0,0]=4 604 B6R0.1 CCC(O)CCO MCULE-5156075792 [1,0,1,0,0,0|1,0,0]=3 605 B6R0.1 CCC(O)CNC MCULE-2490431367 [1,0,1,0,0,0|2,0,0]=4 606 B6R0.1 CCC(O)COC MCULE-6751000060 [1,0,1,0,0,0|1,1,0]=4 607 B6R0.1 CCC(O)CSC MCULE-3582683720 [1,0,1,0,0,0|1,0,0]=3 608 B6R0.1 CCC(S)CCO MCULE-4193788852 [1,0,1,0,0,0|1,1,0]=4 609 B6R0.1 CCCC(O)CBr MCULE-5186252424 [1,0,1,0,0,0|2,0,0]=4 610 B6R0.1 CCCC(O)CC MCULE-9504041935 [1,0,1,0,0,0|2,0,0]=4 611 B6R0.1 CCCC(O)CCl MCULE-4737360217 [1,0,1,0,0,0|2,0,0]=4 612 B6R0.1 CCCC(O)CN MCULE-9402934997 [1,0,1,0,0,0|2,0,0]=4 613 B6R0.1 CCCC(O)CO MCULE-5124107719 [1,0,1,0,0,0|1,1,0]=4 614 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [1,0,1,0,0,0|2,0,0]=4 615 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [1,0,1,0,0,0|2,0,0]=4 616 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [1,0,1,0,0,0|2,0,0]=4 617 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [1,0,1,0,0,0|2,0,0]=4 618 B6R0.1 CNC(C)CCO MCULE-4722422254 [1,0,1,0,0,0|2,0,0]=4 619 B6R0.1 CNC(C)CSC MCULE-8293407208 [1,0,1,0,0,0|2,0,0]=4 620 B6R0.1 COC(C)CCO MCULE-7396381165 [1,0,1,0,0,0|1,1,0]=4 621 B6R0.1 CSC(C)CCN MCULE-5474458753 [1,0,1,0,0,0|2,0,0]=4 622 B6R0.1 CSC(C)CCO MCULE-4317600086 [1,0,1,0,0,0|1,0,0]=3 623 B6R0.1 CSCC(O)CO MCULE-6573013078 [1,0,1,0,0,0|2,0,0]=4 624 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [1,0,1,0,0,0|1,1,0]=4 625 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [1,0,1,0,0,0|1,1,0]=4 626 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [1,0,1,0,0,0|1,1,0]=4 627 B6R0.1 NC(CO)CCO MCULE-3703088648 [1,0,1,0,0,0|1,1,0]=4 628 B6R0.1 NC(CO)CCO MCULE-7609576462 [1,0,1,0,0,0|1,1,0]=4 629 B6R0.1 NCC(N)CCO MCULE-2965554481 [1,0,1,0,0,0|2,0,0]=4 630 B6R0.1 NCCC(O)CN MCULE-9177974477 [1,0,1,0,0,0|2,0,0]=4 631 B6R0.1 NCCC(O)CO MCULE-2556586168 [1,0,1,0,0,0|1,1,0]=4 632 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [1,0,1,0,0,0|1,1,0]=4 633 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [1,0,1,0,0,0|1,1,0]=4 634 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [1,0,1,0,0,0|1,1,0]=4 635 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [1,0,1,0,0,0|1,1,0]=4 636 B6R0.1 N[C@H](CS)CCS MCULE-5846021725 [1,0,1,0,0,0|1,1,0]=4 637 B6R0.1 N[C@H](CS)CCS MCULE-6871313350 [1,0,1,0,0,0|1,1,0]=4 638 B6R0.1 N[C@H](CS)CCS MCULE-8095554848 [1,0,1,0,0,0|1,1,0]=4 639 B6R0.1 N[C@H](CS)CCS MCULE-8177349504 [1,0,1,0,0,0|1,1,0]=4 640 B6R0.1 OC(CBr)CCBr MCULE-5156583342 [1,0,1,0,0,0|2,0,0]=4 641 B6R0.1 OC(CCl)CCCl MCULE-5495327725 [1,0,1,0,0,0|2,0,0]=4 642 B6R0.1 OCCC(O)CCl MCULE-4752952606 [1,0,1,0,0,0|1,0,0]=3 643 B6R0.1 OCCC(O)CO MCULE-6470178852 [1,0,1,0,0,0|0,1,0]=3 644 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [1,0,1,0,0,0|1,1,0]=4 645 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [1,0,1,0,0,0|0,1,0]=3 646 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [1,0,1,0,0,0|0,1,0]=3 647 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [1,0,1,0,0,0|1,0,0]=3 648 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [1,0,1,0,0,0|1,0,0]=3 649 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [1,0,1,0,0,0|1,0,0]=3 650 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [1,0,1,0,0,0|0,1,0]=3 651 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [1,0,1,0,0,0|0,1,0]=3 652 B6R0.1 O[C@@H](CBr)CCBr MCULE-2137750043 [1,0,1,0,0,0|2,0,0]=4 653 B6R0.1 O[C@H](CBr)CCBr MCULE-2647046297 [1,0,1,0,0,0|2,0,0]=4 654 B6R0.1 O[C@H](CBr)CCBr MCULE-5662911918 [1,0,1,0,0,0|2,0,0]=4 655 B6R0.4 CC(C)CCCO MCULE-5797993948 [1,0,1,0,0,0|2,0,0]=4 656 B6R0.4 CC(C)CCCS MCULE-8417191578 [1,0,1,0,0,0|2,0,0]=4 657 B6R0.4 CC(C)CSCCl MCULE-5218455619 [1,0,1,0,0,0|2,0,0]=4 658 B6R0.4 CC(C)NCCO MCULE-1749029105 [1,0,1,0,0,0|2,0,0]=4 659 B6R0.4 CC(C)OCCO MCULE-8766149613 [1,0,1,0,0,0|1,1,0]=4 660 B6R0.4 CC(C)SCCCl MCULE-4991548042 [1,0,1,0,0,0|2,0,0]=4 661 B6R0.4 CC(C)SCCN MCULE-2838203545 [1,0,1,0,0,0|2,0,0]=4 662 B6R0.4 CC(C)SCCN MCULE-6551225219 [1,0,1,0,0,0|2,0,0]=4 663 B6R0.4 CC(C)SCCO MCULE-1467015400 [1,0,1,0,0,0|1,0,0]=3 664 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [1,0,1,0,0,0|2,0,0]=4 665 B6R0.4 CC(N)CCCO MCULE-6629535696 [1,0,1,0,0,0|2,0,0]=4 666 B6R0.4 CC(O)CCCBr MCULE-5477662754 [1,0,1,0,0,0|2,0,0]=4 667 B6R0.4 CC(O)CCCCl MCULE-6993728810 [1,0,1,0,0,0|2,0,0]=4 668 B6R0.4 CC(O)CCCN MCULE-3754805134 [1,0,1,0,0,0|2,0,0]=4 669 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,1,0,0,0|1,0,0]=3 670 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,0,1,0,0,0|2,0,0]=4 671 B6R0.4 CCCCC(C)S MCULE-4791681848 [1,0,1,0,0,0|2,0,0]=4 672 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,0,1,0,0,0|2,0,0]=4 673 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,0,1,0,0,0|2,0,0]=4 674 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,0,1,0,0,0|2,0,0]=4 675 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,0,1,0,0,0|2,0,0]=4 676 B6R0.4 CCCSC(C)C MCULE-2233656285 [1,0,1,0,0,0|2,0,0]=4 677 B6R0.4 CCNCC(C)O MCULE-5078068369 [1,0,1,0,0,0|2,0,0]=4 678 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [1,0,1,0,0,0|2,0,0]=4 679 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [1,0,1,0,0,0|2,0,0]=4 680 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [1,0,1,0,0,0|2,0,0]=4 681 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [1,0,1,0,0,0|2,0,0]=4 682 B6R0.4 CCOCC(C)O MCULE-6224339526 [1,0,1,0,0,0|1,1,0]=4 683 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [1,0,1,0,0,0|1,1,0]=4 684 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,1,0,0,0|0,1,1]=4 685 B6R0.4 CCSCC(C)N MCULE-3399255190 [1,0,1,0,0,0|2,0,0]=4 686 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [1,0,1,0,0,0|2,0,0]=4 687 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,1,0,0,0|1,0,0]=3 688 B6R0.6 BrCCSCCBr MCULE-9680858393 [1,0,1,0,0,0|2,0,0]=4 689 B6R0.6 C#CCSCCO MCULE-6167723961 [1,0,1,0,0,0|1,0,1]=4 690 B6R0.6 CCCCCCO MCULE-4299150163 [1,0,1,0,0,0|2,0,0]=4 691 B6R0.6 CCCCCCS MCULE-5962964855 [1,0,1,0,0,0|2,0,0]=4 692 B6R0.6 CCCCCSC MCULE-6566108868 [1,0,1,0,0,0|2,0,0]=4 693 B6R0.6 CCCCSCC MCULE-4832924468 [1,0,1,0,0,0|2,0,0]=4 694 B6R0.6 CCCCSCCl MCULE-4907770015 [1,0,1,0,0,0|2,0,0]=4 695 B6R0.6 CCCNCCO MCULE-4813687741 [1,0,1,0,0,0|2,0,0]=4 696 B6R0.6 CCCOCCO MCULE-3263526264 [1,0,1,0,0,0|1,1,0]=4 697 B6R0.6 CCCSCCC MCULE-5531652471 [1,0,1,0,0,0|2,0,0]=4 698 B6R0.6 CCCSCCN MCULE-3934428121 [1,0,1,0,0,0|2,0,0]=4 699 B6R0.6 CCCSCCN MCULE-5705755172 [1,0,1,0,0,0|2,0,0]=4 700 B6R0.6 CCCSCCO MCULE-8371796663 [1,0,1,0,0,0|1,0,0]=3 701 B6R0.6 CCNCCSC MCULE-1736157320 [1,0,1,0,0,0|2,0,0]=4 702 B6R0.6 CCNCCSC MCULE-9369049891 [1,0,1,0,0,0|2,0,0]=4 703 B6R0.6 CCSCCNC MCULE-6159594076 [1,0,1,0,0,0|2,0,0]=4 704 B6R0.6 CCSCCNC MCULE-6696154047 [1,0,1,0,0,0|2,0,0]=4 705 B6R0.6 CNCCCCO MCULE-9264393637 [1,0,1,0,0,0|2,0,0]=4 706 B6R0.6 COCCCCO MCULE-2543196930 [1,0,1,0,0,0|1,1,0]=4 707 B6R0.6 COCCCCO MCULE-8659106280 [1,0,1,0,0,0|1,1,0]=4 708 B6R0.6 CSCCCCN MCULE-2391033479 [1,0,1,0,0,0|2,0,0]=4 709 B6R0.6 CSCCCCO MCULE-1045422424 [1,0,1,0,0,0|1,0,0]=3 710 B6R0.6 NCCCCCO MCULE-8877250712 [1,0,1,0,0,0|2,0,0]=4 711 B6R0.6 NCCCCCS MCULE-1813104379 [1,0,1,0,0,0|2,0,0]=4 712 B6R0.6 NCCCCCS MCULE-6081835870 [1,0,1,0,0,0|2,0,0]=4 713 B6R0.6 NCCNCCO MCULE-2112359407 [1,0,1,0,0,0|2,0,0]=4 714 B6R0.6 NCCOCCO MCULE-1073574088 [1,0,1,0,0,0|1,1,0]=4 715 B6R0.6 NCCSCCN MCULE-4317147284 [1,0,1,0,0,0|2,0,0]=4 716 B6R0.6 NCCSCCN MCULE-5449033874 [1,0,1,0,0,0|2,0,0]=4 717 B6R0.6 NCCSCCO MCULE-1475378446 [1,0,1,0,0,0|1,0,0]=3 718 B6R0.6 OCCCCCBr MCULE-1444733196 [1,0,1,0,0,0|2,0,0]=4 719 B6R0.6 OCCCCCCl MCULE-5666058059 [1,0,1,0,0,0|2,0,0]=4 720 B6R0.6 OCCCCCF MCULE-9253204275 [1,0,1,0,0,0|2,0,0]=4 721 B6R0.6 OCCCCCI MCULE-8707758496 [1,0,1,0,0,0|2,0,0]=4 722 B6R0.6 OCCCCCO MCULE-1044076048 [1,0,1,0,0,0|1,1,0]=4 723 B6R0.6 OCCNCCCl MCULE-7809492267 [1,0,1,0,0,0|2,0,0]=4 724 B6R0.6 OCCNCCCl MCULE-9007709158 [1,0,1,0,0,0|2,0,0]=4 725 B6R0.6 OCCNCCO MCULE-9183096746 [1,0,1,0,0,0|1,1,0]=4 726 B6R0.6 OCCNCCO MCULE-9803420258 [1,0,1,0,0,0|1,1,0]=4 727 B6R0.6 OCCOCCBr MCULE-2641000270 [1,0,1,0,0,0|1,1,0]=4 728 B6R0.6 OCCOCCCl MCULE-7320539957 [1,0,1,0,0,0|1,1,0]=4 729 B6R0.6 OCCOCCF MCULE-1780385479 [1,0,1,0,0,0|1,1,0]=4 730 B6R0.6 OCCOCCI MCULE-1083607130 [1,0,1,0,0,0|1,1,0]=4 731 B6R0.6 OCCOCCO MCULE-1531783732 [1,0,1,0,0,0|0,2,0]=4 732 B6R0.6 OCCSCCO MCULE-5502656030 [1,0,1,0,0,0|0,1,0]=3 733 B6R0.6 OCCSCCS MCULE-4418561990 [1,0,1,0,0,0|0,0,0]=2 734 B6R0.6 SCCCCCS MCULE-4899719552 [1,0,1,0,0,0|1,1,0]=4 735 B6R0.6 SCCOCCS MCULE-6659110232 [1,0,1,0,0,0|0,2,0]=4 736 B6R0.6 SCCSCCS MCULE-1219600644 [1,0,1,0,0,0|0,1,0]=3 737 B6R1.1 C1CCCCC1 MCULE-3136361765 [2,0,0,0,0,0|2,0,0]=4 738 B6R1.1 C1CCNCC1 MCULE-4094049864 [2,0,0,0,0,0|2,0,0]=4 739 B6R1.1 C1CCOCC1 MCULE-6904583049 [2,0,0,0,0,0|1,1,0]=4 740 B6R1.1 C1CCSCC1 MCULE-5775966946 [2,0,0,0,0,0|1,0,0]=3 741 B6R1.1 C1CNCCN1 MCULE-1581360805 [2,0,0,0,0,0|2,0,0]=4 742 B6R1.1 C1CNCCN1 MCULE-3262369531 [2,0,0,0,0,0|2,0,0]=4 743 B6R1.1 C1CNCCN1 MCULE-4322783360 [2,0,0,0,0,0|2,0,0]=4 744 B6R1.1 C1CNCCN1 MCULE-5522245554 [2,0,0,0,0,0|2,0,0]=4 745 B6R1.1 C1CNCCN1 MCULE-6779430492 [2,0,0,0,0,0|2,0,0]=4 746 B6R1.1 C1CNCCN1 MCULE-9358926351 [2,0,0,0,0,0|2,0,0]=4 747 B6R1.1 C1CNCCN1 MCULE-9768146432 [2,0,0,0,0,0|2,0,0]=4 748 B6R1.1 C1CNCSC1 MCULE-2728084068 [2,0,0,0,0,0|2,0,0]=4 749 B6R1.1 C1CNCSC1 MCULE-3301332730 [2,0,0,0,0,0|2,0,0]=4 750 B6R1.1 C1COCCN1 MCULE-2533030492 [2,0,0,0,0,0|1,1,0]=4 751 B6R1.1 C1COCCN1 MCULE-4684386765 [2,0,0,0,0,0|1,1,0]=4 752 B6R1.1 C1COCCN1 MCULE-8040983584 [2,0,0,0,0,0|1,1,0]=4 753 B6R1.1 C1COCCO1 MCULE-5088019198 [2,0,0,0,0,0|0,2,0]=4 754 B6R1.1 C1COCC[NH2+]1 MCULE-5238323153 [2,0,0,0,0,0|1,1,0]=4 755 B6R1.1 C1CSCCN1 MCULE-6420970424 [2,0,0,0,0,0|1,0,0]=3 756 B6R1.1 C1CSCCN1 MCULE-8670233998 [2,0,0,0,0,0|1,0,0]=3 757 B6R1.1 C1CSCCO1 MCULE-5803800470 [2,0,0,0,0,0|0,1,0]=3 758 B6R1.1 C1CSCCS1 MCULE-6198913745 [2,0,0,0,0,0|0,0,0]=2 759 B6R1.1 C1CSCSC1 MCULE-5626011651 [2,0,0,0,0,0|2,0,0]=4 760 B6R1.1 C1C[Se]CCN1 MCULE-6480197745 [2,0,0,0,0,0|1,1,0]=4 761 B8R0.1 CCCC(O)CCCO MCULE-4169738114 [0,1,1,0,0,0|2,0,0]=4 762 B8R0.6 OCCCCC(O)CO MCULE-5891501842 [0,1,1,0,0,0|1,1,0]=4 763 B8R0.6 OCCNCC(O)CO MCULE-1632492020 [0,1,1,0,0,0|1,1,0]=4 764 B8R0.6 OCCOCC(O)CCl MCULE-1530998868 [0,1,1,0,0,0|1,1,0]=4 765 B8R0.6 OCCOCC(O)CO MCULE-4768071463 [0,1,1,0,0,0|0,2,0]=4 766 B8R0.25 CC(O)(CN)CCCO MCULE-1441500967 [0,1,1,0,0,0|2,0,0]=4 767 B8R1.2 C1(CCCCN1)CO MCULE-7414417382 [1,1,0,0,0,0|2,0,0]=4 768 B8R1.2 C1(CCCNC1)OC MCULE-1114013355 [1,1,0,0,0,0|2,0,0]=4 769 B8R1.2 C1(CCCNC1)OC MCULE-4203507585 [1,1,0,0,0,0|2,0,0]=4 770 B8R1.2 CCC1CNCCS1 MCULE-4342438029 [1,1,0,0,0,0|2,0,0]=4 771 B8R1.2 CNC1CCCSC1 MCULE-1133400404 [1,1,0,0,0,0|2,0,0]=4 772 B8R1.2 CNC1CCCSC1 MCULE-7973096065 [1,1,0,0,0,0|2,0,0]=4 773 B8R1.2 COC1CCCCC1 MCULE-2340244681 [1,1,0,0,0,0|2,0,0]=4 774 B8R1.2 COC1CCCCO1 MCULE-5586923898 [1,1,0,0,0,0|1,1,0]=4 775 B8R1.2 COC1CCCNC1 MCULE-2428257033 [1,1,0,0,0,0|2,0,0]=4 776 B8R1.2 COC1CCCNC1 MCULE-8656248481 [1,1,0,0,0,0|2,0,0]=4 777 B8R1.2 COC1CNCCO1 MCULE-4273991787 [1,1,0,0,0,0|1,1,0]=4 778 B8R1.2 CO[C@@H]1CCCNC1 MCULE-1593626348 [1,1,0,0,0,0|2,0,0]=4 779 B8R1.2 CO[C@@H]1CCCNC1 MCULE-4085125909 [1,1,0,0,0,0|2,0,0]=4 780 B8R1.2 CO[C@@H]1CCCNC1 MCULE-6313387662 [1,1,0,0,0,0|2,0,0]=4 781 B8R1.2 CO[C@@H]1CCCNC1 MCULE-8494307603 [1,1,0,0,0,0|2,0,0]=4 782 B8R1.2 CO[C@H]1CCCNC1 MCULE-1042411558 [1,1,0,0,0,0|2,0,0]=4 783 B8R1.2 CO[C@H]1CCCNC1 MCULE-3363706345 [1,1,0,0,0,0|2,0,0]=4 784 B8R1.2 CO[C@H]1CCCNC1 MCULE-3745051847 [1,1,0,0,0,0|2,0,0]=4 785 B8R1.2 CO[C@H]1CCCNC1 MCULE-6475889306 [1,1,0,0,0,0|2,0,0]=4 786 B8R1.2 N#CC1CCCCS1 MCULE-3643161044 [1,1,0,0,0,0|2,0,0]=4 787 B8R1.2 N#CC1CSCCS1 MCULE-2123832972 [1,1,0,0,0,0|1,0,0]=3 788 B8R1.2 NCC1CCCCS1 MCULE-1705875111 [1,1,0,0,0,0|2,0,0]=4 789 B8R1.2 NCC1CCCSC1 MCULE-1894328803 [1,1,0,0,0,0|2,0,0]=4 790 B8R1.2 NCC1CSCCN1 MCULE-2206802895 [1,1,0,0,0,0|2,0,0]=4 791 B8R1.2 NCC1CSCCS1 MCULE-8020891732 [1,1,0,0,0,0|1,0,0]=3 792 B8R1.2 NNC1CCCSC1 MCULE-2745263925 [1,1,0,0,0,0|2,0,0]=4 793 B8R1.2 NNC1CCCSC1 MCULE-3788828042 [1,1,0,0,0,0|2,0,0]=4 794 B8R1.2 NOC1CCCCC1 MCULE-1475995970 [1,1,0,0,0,0|2,0,0]=4 795 B8R1.2 NOC1CCCCC1 MCULE-3638462708 [1,1,0,0,0,0|2,0,0]=4 796 B8R1.2 NOC1CCCCO1 MCULE-2818785498 [1,1,0,0,0,0|1,1,0]=4 797 B8R1.2 NOC1CCCNC1 MCULE-5903081349 [1,1,0,0,0,0|2,0,0]=4 798 B8R1.2 NOC1CCCNC1 MCULE-9939729891 [1,1,0,0,0,0|2,0,0]=4 799 B8R1.2 O=CC1CCCSC1 MCULE-8369808876 [1,1,0,0,0,0|1,0,1]=4 800 B8R1.2 OCC1CCCCC1 MCULE-6571547092 [1,1,0,0,0,0|2,0,0]=4 801 B8R1.2 OCC1CCCCN1 MCULE-1839660028 [1,1,0,0,0,0|2,0,0]=4 802 B8R1.2 OCC1CCCCN1 MCULE-5190999833 [1,1,0,0,0,0|2,0,0]=4 803 B8R1.2 OCC1CCCCO1 MCULE-2390789074 [1,1,0,0,0,0|1,1,0]=4 804 B8R1.2 OCC1CCCCO1 MCULE-7483291767 [1,1,0,0,0,0|1,1,0]=4 805 B8R1.2 OCC1CCCCS1 MCULE-8533707311 [1,1,0,0,0,0|1,0,0]=3 806 B8R1.2 OCC1CCCNC1 MCULE-1126180349 [1,1,0,0,0,0|2,0,0]=4 807 B8R1.2 OCC1CCCNC1 MCULE-1796388857 [1,1,0,0,0,0|2,0,0]=4 808 B8R1.2 OCC1CCCNC1 MCULE-3885962581 [1,1,0,0,0,0|2,0,0]=4 809 B8R1.2 OCC1CCCNC1 MCULE-9246039906 [1,1,0,0,0,0|2,0,0]=4 810 B8R1.2 OCC1CCCOC1 MCULE-6464024960 [1,1,0,0,0,0|1,1,0]=4 811 B8R1.2 OCC1CCCOC1 MCULE-9624599290 [1,1,0,0,0,0|1,1,0]=4 812 B8R1.2 OCC1CCCSC1 MCULE-1730158244 [1,1,0,0,0,0|1,0,0]=3 813 B8R1.2 OCC1CNCCN1 MCULE-1401587868 [1,1,0,0,0,0|2,0,0]=4 814 B8R1.2 OCC1CNCCN1 MCULE-7423856879 [1,1,0,0,0,0|2,0,0]=4 815 B8R1.2 OCC1CNCCN1 MCULE-8309538868 [1,1,0,0,0,0|2,0,0]=4 816 B8R1.2 OCC1CNCCN1 MCULE-9359285661 [1,1,0,0,0,0|2,0,0]=4 817 B8R1.2 OCC1CNCCO1 MCULE-1938288280 [1,1,0,0,0,0|1,1,0]=4 818 B8R1.2 OCC1CNCCO1 MCULE-7041892647 [1,1,0,0,0,0|1,1,0]=4 819 B8R1.2 OCC1CNCCO1 MCULE-8873542150 [1,1,0,0,0,0|1,1,0]=4 820 B8R1.2 OCC1CNCCO1 MCULE-9279337391 [1,1,0,0,0,0|1,1,0]=4 821 B8R1.2 OCC1COCCN1 MCULE-1141875416 [1,1,0,0,0,0|1,1,0]=4 822 B8R1.2 OCC1COCCN1 MCULE-2383049328 [1,1,0,0,0,0|1,1,0]=4 823 B8R1.2 OCC1COCCN1 MCULE-3747324792 [1,1,0,0,0,0|1,1,0]=4 824 B8R1.2 OCC1COCCN1 MCULE-8656197859 [1,1,0,0,0,0|1,1,0]=4 825 B8R1.2 OCC1COCCO1 MCULE-3788845525 [1,1,0,0,0,0|0,2,0]=4 826 B8R1.2 OCC1COCCO1 MCULE-5558091087 [1,1,0,0,0,0|0,2,0]=4 827 B8R1.2 OCC1CSCCN1 MCULE-9615907863 [1,1,0,0,0,0|1,0,0]=3 828 B8R1.2 OC[C@@H]1CCCCN1 MCULE-6170192975 [1,1,0,0,0,0|2,0,0]=4 829 B8R1.2 OC[C@@H]1CCCCN1 MCULE-7805438267 [1,1,0,0,0,0|2,0,0]=4 830 B8R1.2 OC[C@@H]1CCCCN1 MCULE-8160671578 [1,1,0,0,0,0|2,0,0]=4 831 B8R1.2 OC[C@@H]1CCCCO1 MCULE-5978396739 [1,1,0,0,0,0|1,1,0]=4 832 B8R1.2 OC[C@@H]1CCCCO1 MCULE-8715909099 [1,1,0,0,0,0|1,1,0]=4 833 B8R1.2 OC[C@@H]1CCCNC1 MCULE-1362591489 [1,1,0,0,0,0|2,0,0]=4 834 B8R1.2 OC[C@@H]1CCCNC1 MCULE-2943211570 [1,1,0,0,0,0|2,0,0]=4 835 B8R1.2 OC[C@@H]1CCCNC1 MCULE-8452110091 [1,1,0,0,0,0|2,0,0]=4 836 B8R1.2 OC[C@@H]1CCCNC1 MCULE-9511978382 [1,1,0,0,0,0|2,0,0]=4 837 B8R1.2 OC[C@@H]1CCCOC1 MCULE-5580637299 [1,1,0,0,0,0|1,1,0]=4 838 B8R1.2 OC[C@@H]1CCCOC1 MCULE-9673827278 [1,1,0,0,0,0|1,1,0]=4 839 B8R1.2 OC[C@@H]1CNCCN1 MCULE-3656110325 [1,1,0,0,0,0|2,0,0]=4 840 B8R1.2 OC[C@@H]1CNCCN1 MCULE-7030471384 [1,1,0,0,0,0|2,0,0]=4 841 B8R1.2 OC[C@@H]1CNCCN1 MCULE-7465480170 [1,1,0,0,0,0|2,0,0]=4 842 B8R1.2 OC[C@@H]1CNCCN1 MCULE-9542102138 [1,1,0,0,0,0|2,0,0]=4 843 B8R1.2 OC[C@@H]1CNCCO1 MCULE-5428209505 [1,1,0,0,0,0|1,1,0]=4 844 B8R1.2 OC[C@@H]1CNCCO1 MCULE-6006812099 [1,1,0,0,0,0|1,1,0]=4 845 B8R1.2 OC[C@@H]1CNCCO1 MCULE-6118730357 [1,1,0,0,0,0|1,1,0]=4 846 B8R1.2 OC[C@@H]1CNCCO1 MCULE-9753568594 [1,1,0,0,0,0|1,1,0]=4 847 B8R1.2 OC[C@@H]1COCCN1 MCULE-2260461335 [1,1,0,0,0,0|1,1,0]=4 848 B8R1.2 OC[C@@H]1COCCN1 MCULE-7365178843 [1,1,0,0,0,0|1,1,0]=4 849 B8R1.2 OC[C@@H]1COCCN1 MCULE-8155625467 [1,1,0,0,0,0|1,1,0]=4 850 B8R1.2 OC[C@@H]1COCCN1 MCULE-9822056975 [1,1,0,0,0,0|1,1,0]=4 851 B8R1.2 OC[C@@H]1COCCO1 MCULE-5847134890 [1,1,0,0,0,0|0,2,0]=4 852 B8R1.2 OC[C@@H]1COCCO1 MCULE-6096501847 [1,1,0,0,0,0|0,2,0]=4 853 B8R1.2 OC[C@H]1CCCCN1 MCULE-1585224164 [1,1,0,0,0,0|2,0,0]=4 854 B8R1.2 OC[C@H]1CCCCN1 MCULE-2860177964 [1,1,0,0,0,0|2,0,0]=4 855 B8R1.2 OC[C@H]1CCCCO1 MCULE-4700719427 [1,1,0,0,0,0|1,1,0]=4 856 B8R1.2 OC[C@H]1CCCCO1 MCULE-7990169259 [1,1,0,0,0,0|1,1,0]=4 857 B8R1.2 OC[C@H]1CCCNC1 MCULE-3504380705 [1,1,0,0,0,0|2,0,0]=4 858 B8R1.2 OC[C@H]1CCCNC1 MCULE-6518143765 [1,1,0,0,0,0|2,0,0]=4 859 B8R1.2 OC[C@H]1CCCNC1 MCULE-6752674060 [1,1,0,0,0,0|2,0,0]=4 860 B8R1.2 OC[C@H]1CCCNC1 MCULE-9392193352 [1,1,0,0,0,0|2,0,0]=4 861 B8R1.2 OC[C@H]1CCCOC1 MCULE-8066618329 [1,1,0,0,0,0|1,1,0]=4 862 B8R1.2 OC[C@H]1CCCOC1 MCULE-8831105119 [1,1,0,0,0,0|1,1,0]=4 863 B8R1.2 OC[C@H]1CNCCN1 MCULE-2062612556 [1,1,0,0,0,0|2,0,0]=4 864 B8R1.2 OC[C@H]1CNCCN1 MCULE-3003505442 [1,1,0,0,0,0|2,0,0]=4 865 B8R1.2 OC[C@H]1CNCCN1 MCULE-3400481255 [1,1,0,0,0,0|2,0,0]=4 866 B8R1.2 OC[C@H]1CNCCN1 MCULE-5683382374 [1,1,0,0,0,0|2,0,0]=4 867 B8R1.2 OC[C@H]1CNCCN1 MCULE-8795905011 [1,1,0,0,0,0|2,0,0]=4 868 B8R1.2 OC[C@H]1CNCCO1 MCULE-2083087681 [1,1,0,0,0,0|1,1,0]=4 869 B8R1.2 OC[C@H]1CNCCO1 MCULE-2399844881 [1,1,0,0,0,0|1,1,0]=4 870 B8R1.2 OC[C@H]1CNCCO1 MCULE-5372536833 [1,1,0,0,0,0|1,1,0]=4 871 B8R1.2 OC[C@H]1CNCCO1 MCULE-9994722027 [1,1,0,0,0,0|1,1,0]=4 872 B8R1.2 OC[C@H]1COCCN1 MCULE-2570187475 [1,1,0,0,0,0|1,1,0]=4 873 B8R1.2 OC[C@H]1COCCN1 MCULE-5479794518 [1,1,0,0,0,0|1,1,0]=4 874 B8R1.2 OC[C@H]1COCCN1 MCULE-5550353523 [1,1,0,0,0,0|1,1,0]=4 875 B8R1.2 OC[C@H]1COCCN1 MCULE-6091772249 [1,1,0,0,0,0|1,1,0]=4 876 B8R1.2 OC[C@H]1COCCO1 MCULE-1373070349 [1,1,0,0,0,0|0,2,0]=4 877 B8R1.2 OC[C@H]1COCCO1 MCULE-9271539014 [1,1,0,0,0,0|0,2,0]=4 878 B8R1.2 ONC1CCCCC1 MCULE-7854482550 [1,1,0,0,0,0|2,0,0]=4 879 B8R1.2 O[NH2+]C1CCCCC1 MCULE-5578731568 [1,1,0,0,0,0|2,0,0]=4 880 B8R1.4 C1(CCCN(C1)C)O MCULE-3423318871 [1,1,0,0,0,0|2,0,0]=4 881 B8R1.4 CC1CC(CCS1)N MCULE-2033728520 [1,1,0,0,0,0|2,0,0]=4 882 B8R1.4 CC1CCCC(C1)O MCULE-5839979596 [1,1,0,0,0,0|2,0,0]=4 883 B8R1.4 CC1CCC[C@H](C1)O MCULE-8817611474 [1,1,0,0,0,0|2,0,0]=4 884 B8R1.4 CC1CNCC(C1)O MCULE-3984160340 [1,1,0,0,0,0|2,0,0]=4 885 B8R1.4 CC1CNCC(C1)O MCULE-8485435970 [1,1,0,0,0,0|2,0,0]=4 886 B8R1.4 CC1CNCC(S1)C MCULE-8995906277 [1,1,0,0,0,0|2,0,0]=4 887 B8R1.4 CC1CSCC(N1)C MCULE-6013986092 [1,1,0,0,0,0|2,0,0]=4 888 B8R1.4 CN1CCCC(C1)O MCULE-1282411969 [1,1,0,0,0,0|2,0,0]=4 889 B8R1.4 CN1CCCC(C1)O MCULE-5914090374 [1,1,0,0,0,0|2,0,0]=4 890 B8R1.4 CN1CCC[C@@H](C1)O MCULE-7507199450 [1,1,0,0,0,0|2,0,0]=4 891 B8R1.4 CN1CCC[C@@H](C1)O MCULE-7595542900 [1,1,0,0,0,0|2,0,0]=4 892 B8R1.4 CN1CCC[C@H](C1)O MCULE-1943345564 [1,1,0,0,0,0|2,0,0]=4 893 B8R1.4 CN1CCC[C@H](C1)O MCULE-2523873601 [1,1,0,0,0,0|2,0,0]=4 894 B8R1.4 C[C@@H]1CCC[C@@H](C1)O MCULE-9818117668 [1,1,0,0,0,0|2,0,0]=4 895 B8R1.4 C[C@@H]1CSC[C@H](N1)C MCULE-1704971441 [1,1,0,0,0,0|2,0,0]=4 896 B8R1.4 C[C@H]1CCC[C@H](C1)O MCULE-9355825371 [1,1,0,0,0,0|2,0,0]=4 897 B8R1.4 C[C@H]1CSC[C@@H](N1)C MCULE-8706645092 [1,1,0,0,0,0|2,0,0]=4 898 B8R1.4 C[C@H]1CSC[C@H](N1)C MCULE-8606563794 [1,1,0,0,0,0|2,0,0]=4 899 B8R1.4 NC1CCCC(C1)O MCULE-6642881941 [1,1,0,0,0,0|2,0,0]=4 900 B8R1.4 NC1CCCC(C1)O MCULE-7481733301 [1,1,0,0,0,0|2,0,0]=4 901 B8R1.4 NC1CNCC(C1)O MCULE-6920221467 [1,1,0,0,0,0|2,0,0]=4 902 B8R1.4 NC1COCC(C1)O MCULE-4181084305 [1,1,0,0,0,0|1,1,0]=4 903 B8R1.4 NC1COCC(C1)O MCULE-5761305163 [1,1,0,0,0,0|1,1,0]=4 904 B8R1.4 NN1CCCC(C1)O MCULE-4022389356 [1,1,0,0,0,0|2,0,0]=4 905 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-2185895220 [1,1,0,0,0,0|2,0,0]=4 906 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-6878512399 [1,1,0,0,0,0|2,0,0]=4 907 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-7794771906 [1,1,0,0,0,0|2,0,0]=4 908 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-9600913098 [1,1,0,0,0,0|2,0,0]=4 909 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-3943542357 [1,1,0,0,0,0|2,0,0]=4 910 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-7462583711 [1,1,0,0,0,0|2,0,0]=4 911 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-8163415958 [1,1,0,0,0,0|2,0,0]=4 912 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-9050533878 [1,1,0,0,0,0|2,0,0]=4 913 B8R1.4 N[C@@H]1COC[C@@H](C1)O MCULE-2589345375 [1,1,0,0,0,0|1,1,0]=4 914 B8R1.4 N[C@@H]1COC[C@@H](C1)O MCULE-5154891684 [1,1,0,0,0,0|1,1,0]=4 915 B8R1.4 N[C@@H]1COC[C@H](C1)O MCULE-1888308248 [1,1,0,0,0,0|1,1,0]=4 916 B8R1.4 N[C@@H]1COC[C@H](C1)O MCULE-4630509866 [1,1,0,0,0,0|1,1,0]=4 917 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-2088777566 [1,1,0,0,0,0|2,0,0]=4 918 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-6052884406 [1,1,0,0,0,0|2,0,0]=4 919 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-7145455722 [1,1,0,0,0,0|2,0,0]=4 920 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-8458598098 [1,1,0,0,0,0|2,0,0]=4 921 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-1402442931 [1,1,0,0,0,0|2,0,0]=4 922 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-2566868682 [1,1,0,0,0,0|2,0,0]=4 923 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-8263508625 [1,1,0,0,0,0|2,0,0]=4 924 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-9158452946 [1,1,0,0,0,0|2,0,0]=4 925 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-9908500977 [1,1,0,0,0,0|2,0,0]=4 926 B8R1.4 N[C@H]1COC[C@@H](C1)O MCULE-6168789714 [1,1,0,0,0,0|1,1,0]=4 927 B8R1.4 N[C@H]1COC[C@H](C1)O MCULE-1887576189 [1,1,0,0,0,0|1,1,0]=4 928 B8R1.4 N[C@H]1COC[C@H](C1)O MCULE-2203204142 [1,1,0,0,0,0|1,1,0]=4 929 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [1,1,0,0,0,0|2,0,0]=4 930 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [1,1,0,0,0,0|2,0,0]=4 931 B8R1.4 OC1CCCC(C1)O MCULE-5377622416 [1,1,0,0,0,0|2,0,0]=4 932 B8R1.4 OC1CNCC(C1)O MCULE-1197120974 [1,1,0,0,0,0|2,0,0]=4 933 B8R1.4 OC1CNCC(C1)O MCULE-4759581472 [1,1,0,0,0,0|2,0,0]=4 934 B8R1.4 O[C@@H]1CCC[C@H](C1)O MCULE-1135108851 [1,1,0,0,0,0|2,0,0]=4 935 B8R1.4 O[C@@H]1CCC[C@H](C1)O MCULE-4488851523 [1,1,0,0,0,0|2,0,0]=4 936 B8R1.4 O[C@@H]1CNC[C@@H](C1)F MCULE-1439853464 [1,1,0,0,0,0|2,0,0]=4 937 B8R1.4 O[C@@H]1CNC[C@@H](C1)F MCULE-9096067151 [1,1,0,0,0,0|2,0,0]=4 938 B8R1.4 O[C@@H]1CNC[C@@H](C1)O MCULE-1294085941 [1,1,0,0,0,0|2,0,0]=4 939 B8R1.4 O[C@@H]1CNC[C@@H](C1)O MCULE-3774231585 [1,1,0,0,0,0|2,0,0]=4 940 B8R1.4 O[C@@H]1CNC[C@H](C1)O MCULE-5630014959 [1,1,0,0,0,0|2,0,0]=4 941 B8R1.4 O[C@@H]1CNC[C@H](C1)O MCULE-8096152429 [1,1,0,0,0,0|2,0,0]=4 942 B8R1.4 O[C@H]1CCC[C@@H](C1)O MCULE-4718573149 [1,1,0,0,0,0|2,0,0]=4 943 B8R1.4 O[C@H]1CCC[C@H](C1)O MCULE-9402957017 [1,1,0,0,0,0|2,0,0]=4 944 B8R1.4 O[C@H]1CNC[C@@H](C1)O MCULE-3635256197 [1,1,0,0,0,0|2,0,0]=4 945 B8R1.4 O[C@H]1CNC[C@@H](C1)O MCULE-7162868831 [1,1,0,0,0,0|2,0,0]=4 946 B8R1.4 [C@H]1(CCC[C@H](C1)O)N MCULE-1919170190 [1,1,0,0,0,0|2,0,0]=4 947 B8R1.4 [C@H]1(CCC[C@H](C1)O)N MCULE-2985238129 [1,1,0,0,0,0|2,0,0]=4 948 B8R1.5 C=C1CCCCC1O MCULE-3853228524 [1,1,0,0,0,0|2,0,0]=4 949 B8R1.5 C=C1CCCCC1O MCULE-5911864977 [1,1,0,0,0,0|2,0,0]=4 950 B8R1.5 CC1CCCCC1O MCULE-2704647488 [1,1,0,0,0,0|2,0,0]=4 951 B8R1.5 CC1CCNCC1O MCULE-5450375148 [1,1,0,0,0,0|2,0,0]=4 952 B8R1.5 CC1CCNCC1O MCULE-5649027214 [1,1,0,0,0,0|2,0,0]=4 953 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [1,1,0,0,0,0|2,0,0]=4 954 B8R1.5 CC1NCCCC1O MCULE-4670774259 [1,1,0,0,0,0|2,0,0]=4 955 B8R1.5 CC1NCCCC1O MCULE-7229970366 [1,1,0,0,0,0|2,0,0]=4 956 B8R1.5 CC1NCCSC1C MCULE-7303026393 [1,1,0,0,0,0|2,0,0]=4 957 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-3547716632 [1,1,0,0,0,0|2,0,0]=4 958 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-9259793572 [1,1,0,0,0,0|2,0,0]=4 959 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-6946702609 [1,1,0,0,0,0|2,0,0]=4 960 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-7899767253 [1,1,0,0,0,0|2,0,0]=4 961 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-9159305922 [1,1,0,0,0,0|2,0,0]=4 962 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-9391376462 [1,1,0,0,0,0|2,0,0]=4 963 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-4706073937 [1,1,0,0,0,0|2,0,0]=4 964 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-5188621987 [1,1,0,0,0,0|2,0,0]=4 965 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-6031430878 [1,1,0,0,0,0|2,0,0]=4 966 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-8311134495 [1,1,0,0,0,0|2,0,0]=4 967 B8R1.5 C[C@@H]1NCCC[C@H]1O MCULE-4565116334 [1,1,0,0,0,0|2,0,0]=4 968 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-4879328575 [1,1,0,0,0,0|2,0,0]=4 969 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-7331434797 [1,1,0,0,0,0|2,0,0]=4 970 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-2413866964 [1,1,0,0,0,0|2,0,0]=4 971 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-3541397142 [1,1,0,0,0,0|2,0,0]=4 972 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-4524645861 [1,1,0,0,0,0|2,0,0]=4 973 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-4989324272 [1,1,0,0,0,0|2,0,0]=4 974 B8R1.5 C[C@H]1CCNC[C@H]1O MCULE-6149485279 [1,1,0,0,0,0|2,0,0]=4 975 B8R1.5 C[C@H]1CCNC[C@H]1O MCULE-9609136161 [1,1,0,0,0,0|2,0,0]=4 976 B8R1.5 C[C@H]1NCCC[C@@H]1O MCULE-4581708846 [1,1,0,0,0,0|2,0,0]=4 977 B8R1.5 NC1CCCCC1O MCULE-1427424523 [1,1,0,0,0,0|2,0,0]=4 978 B8R1.5 NC1CCCCC1O MCULE-2793336591 [1,1,0,0,0,0|2,0,0]=4 979 B8R1.5 NC1CCNCC1O MCULE-2705091841 [1,1,0,0,0,0|2,0,0]=4 980 B8R1.5 NC1CCOCC1O MCULE-2815184899 [1,1,0,0,0,0|1,1,0]=4 981 B8R1.5 NC1CCOCC1O MCULE-4548392204 [1,1,0,0,0,0|1,1,0]=4 982 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2753918610 [1,1,0,0,0,0|2,0,0]=4 983 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2761271370 [1,1,0,0,0,0|2,0,0]=4 984 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-4978213189 [1,1,0,0,0,0|2,0,0]=4 985 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-9182719952 [1,1,0,0,0,0|2,0,0]=4 986 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-1509174959 [1,1,0,0,0,0|2,0,0]=4 987 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-2336529349 [1,1,0,0,0,0|2,0,0]=4 988 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-4732604931 [1,1,0,0,0,0|2,0,0]=4 989 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-6124510830 [1,1,0,0,0,0|2,0,0]=4 990 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-7301593250 [1,1,0,0,0,0|2,0,0]=4 991 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-8501577810 [1,1,0,0,0,0|2,0,0]=4 992 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-1435526553 [1,1,0,0,0,0|2,0,0]=4 993 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-8731873892 [1,1,0,0,0,0|2,0,0]=4 994 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-1888816293 [1,1,0,0,0,0|1,1,0]=4 995 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3667258867 [1,1,0,0,0,0|1,1,0]=4 996 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3915823883 [1,1,0,0,0,0|1,1,0]=4 997 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-9959521476 [1,1,0,0,0,0|1,1,0]=4 998 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-1071839837 [1,1,0,0,0,0|1,1,0]=4 999 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-6051401821 [1,1,0,0,0,0|1,1,0]=4 1000 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-7013720281 [1,1,0,0,0,0|1,1,0]=4 1001 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-8477518337 [1,1,0,0,0,0|1,1,0]=4 1002 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1277967673 [1,1,0,0,0,0|2,0,0]=4 1003 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1301750612 [1,1,0,0,0,0|2,0,0]=4 1004 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-3861922722 [1,1,0,0,0,0|2,0,0]=4 1005 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-8489439004 [1,1,0,0,0,0|2,0,0]=4 1006 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-1599409645 [1,1,0,0,0,0|2,0,0]=4 1007 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-3318800690 [1,1,0,0,0,0|2,0,0]=4 1008 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-4235445104 [1,1,0,0,0,0|2,0,0]=4 1009 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6518289705 [1,1,0,0,0,0|2,0,0]=4 1010 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6606691116 [1,1,0,0,0,0|2,0,0]=4 1011 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-9979333085 [1,1,0,0,0,0|2,0,0]=4 1012 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-1217623714 [1,1,0,0,0,0|1,1,0]=4 1013 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4607259008 [1,1,0,0,0,0|1,1,0]=4 1014 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4749541215 [1,1,0,0,0,0|1,1,0]=4 1015 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-9683658087 [1,1,0,0,0,0|1,1,0]=4 1016 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1807586879 [1,1,0,0,0,0|1,1,0]=4 1017 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1937023434 [1,1,0,0,0,0|1,1,0]=4 1018 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4374635229 [1,1,0,0,0,0|1,1,0]=4 1019 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4873019238 [1,1,0,0,0,0|1,1,0]=4 1020 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [1,1,0,0,0,0|2,0,0]=4 1021 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [1,1,0,0,0,0|1,1,0]=4 1022 B8R1.5 OC1CCCCC1Cl MCULE-8650942069 [1,1,0,0,0,0|2,0,0]=4 1023 B8R1.5 OC1CCCCC1F MCULE-7634543650 [1,1,0,0,0,0|2,0,0]=4 1024 B8R1.5 OC1CCCCC1O MCULE-2967360901 [1,1,0,0,0,0|2,0,0]=4 1025 B8R1.5 OC1CCNCC1O MCULE-3039573850 [1,1,0,0,0,0|2,0,0]=4 1026 B8R1.5 OC1CCNCC1O MCULE-8828122539 [1,1,0,0,0,0|2,0,0]=4 1027 B8R1.5 OC1CNCCC1F MCULE-2946280821 [1,1,0,0,0,0|2,0,0]=4 1028 B8R1.5 OC1CNCCC1F MCULE-3493148821 [1,1,0,0,0,0|2,0,0]=4 1029 B8R1.5 OC1CSSCC1O MCULE-3716589710 [1,1,0,0,0,0|2,0,0]=4 1030 B8R1.5 OC1OCCOC1O MCULE-9891879099 [1,1,0,0,0,0|0,2,0]=4 1031 B8R1.5 O[C@@H]1CCCC[C@H]1F MCULE-2305949625 [1,1,0,0,0,0|2,0,0]=4 1032 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3067807104 [1,1,0,0,0,0|2,0,0]=4 1033 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3429096841 [1,1,0,0,0,0|2,0,0]=4 1034 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-9892753066 [1,1,0,0,0,0|2,0,0]=4 1035 B8R1.5 O[C@@H]1CCCC[C@H]1S MCULE-6222162383 [1,1,0,0,0,0|2,0,0]=4 1036 B8R1.5 O[C@@H]1CCNC[C@H]1O MCULE-3688872623 [1,1,0,0,0,0|2,0,0]=4 1037 B8R1.5 O[C@@H]1CCNC[C@H]1O MCULE-5098984807 [1,1,0,0,0,0|2,0,0]=4 1038 B8R1.5 O[C@@H]1CNCC[C@@H]1F MCULE-1622561753 [1,1,0,0,0,0|2,0,0]=4 1039 B8R1.5 O[C@@H]1CNCC[C@@H]1F MCULE-6945313787 [1,1,0,0,0,0|2,0,0]=4 1040 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-3612777118 [1,1,0,0,0,0|2,0,0]=4 1041 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-5621905223 [1,1,0,0,0,0|2,0,0]=4 1042 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-6188298332 [1,1,0,0,0,0|2,0,0]=4 1043 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-7586426338 [1,1,0,0,0,0|2,0,0]=4 1044 B8R1.5 O[C@@H]1CSSC[C@H]1O MCULE-2981026113 [1,1,0,0,0,0|2,0,0]=4 1045 B8R1.5 O[C@H]1CCCC[C@@H]1F MCULE-7833708338 [1,1,0,0,0,0|2,0,0]=4 1046 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-7078207162 [1,1,0,0,0,0|2,0,0]=4 1047 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-9836847707 [1,1,0,0,0,0|2,0,0]=4 1048 B8R1.5 O[C@H]1CCCC[C@H]1Br MCULE-8133807743 [1,1,0,0,0,0|2,0,0]=4 1049 B8R1.5 O[C@H]1CCCC[C@H]1O MCULE-3539097516 [1,1,0,0,0,0|2,0,0]=4 1050 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-1740802653 [1,1,0,0,0,0|2,0,0]=4 1051 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-5396588753 [1,1,0,0,0,0|2,0,0]=4 1052 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-6762598540 [1,1,0,0,0,0|2,0,0]=4 1053 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-9747818285 [1,1,0,0,0,0|2,0,0]=4 1054 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-2865586489 [1,1,0,0,0,0|2,0,0]=4 1055 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-6097537639 [1,1,0,0,0,0|2,0,0]=4 1056 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-8152004203 [1,1,0,0,0,0|2,0,0]=4 1057 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-8500578666 [1,1,0,0,0,0|2,0,0]=4 1058 B8R1.5 O[C@H]1CNCC[C@@H]1F MCULE-1003695930 [1,1,0,0,0,0|2,0,0]=4 1059 B8R1.5 O[C@H]1CNCC[C@@H]1F MCULE-2595427193 [1,1,0,0,0,0|2,0,0]=4 1060 B8R1.5 O[C@H]1CNCC[C@@H]1F MCULE-4420509139 [1,1,0,0,0,0|2,0,0]=4 1061 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-1178411420 [1,1,0,0,0,0|2,0,0]=4 1062 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-1550810398 [1,1,0,0,0,0|2,0,0]=4 1063 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-9461941348 [1,1,0,0,0,0|2,0,0]=4 1064 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-9787124381 [1,1,0,0,0,0|2,0,0]=4 1065 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-2884977174 [1,1,0,0,0,0|2,0,0]=4 1066 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-4059971580 [1,1,0,0,0,0|2,0,0]=4 1067 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-4860264041 [1,1,0,0,0,0|2,0,0]=4 1068 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-5794552949 [1,1,0,0,0,0|2,0,0]=4 1069 B8R1.5 O[C@H]1CSSC[C@@H]1O MCULE-2785197932 [1,1,0,0,0,0|2,0,0]=4 1070 B8R1.5 O[C@H]1CSSC[C@@H]1O MCULE-5975753187 [1,1,0,0,0,0|2,0,0]=4 1071 B8R1.5 [C@@H]1(CCNC[C@H]1O)C MCULE-2307148539 [1,1,0,0,0,0|2,0,0]=4 1072 B8R1.5 [C@@H]1(CCNC[C@H]1O)C MCULE-7550947729 [1,1,0,0,0,0|2,0,0]=4 1073 B8R1.5 [C@@H]1(CCOC[C@@H]1O)N MCULE-2201413833 [1,1,0,0,0,0|1,1,0]=4 1074 B8R1.5 [C@@H]1(CNCC[C@@H]1F)O MCULE-6806325155 [1,1,0,0,0,0|2,0,0]=4 1075 B8R1.5 [C@@H]1(CNCC[C@@H]1F)O MCULE-8351727587 [1,1,0,0,0,0|2,0,0]=4 1076 B8R1.5 [C@@H]1(CNCC[C@@H]1F)O MCULE-9141886243 [1,1,0,0,0,0|2,0,0]=4 1077 B8R1.5 [C@@H]1(CNCC[C@H]1O)O MCULE-7522153539 [1,1,0,0,0,0|2,0,0]=4 1078 B8R1.5 [C@@H]1(CNCC[C@H]1O)O MCULE-8922491067 [1,1,0,0,0,0|2,0,0]=4 1079 B8R1.5 [C@H]1(CCCC[C@H]1F)O MCULE-7751753244 [1,1,0,0,0,0|2,0,0]=4 1080 B8R1.5 [C@H]1(CCNC[C@H]1O)O MCULE-2825513554 [1,1,0,0,0,0|2,0,0]=4 1081 B8R1.5 [C@H]1(CCNC[C@H]1O)O MCULE-3902017522 [1,1,0,0,0,0|2,0,0]=4 1082 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-3291339796 [1,1,0,0,0,0|1,1,0]=4 1083 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-5641035715 [1,1,0,0,0,0|1,1,0]=4 1084 B8R1.5 [C@H]1(CNCC[C@H]1C)O MCULE-8053222550 [1,1,0,0,0,0|2,0,0]=4 1085 B8R1.5 [C@H]1(CNCC[C@H]1C)O MCULE-9640568177 [1,1,0,0,0,0|2,0,0]=4 1086 B8R1.5 [C@H]1(COCC[C@H]1N)O MCULE-2088495989 [1,1,0,0,0,0|1,1,0]=4 1087 B8R1.72 CC1(CCCCC1)O MCULE-9091358177 [1,1,0,0,0,0|2,0,0]=4 1088 B8R1.72 CC1(CCCNC1)O MCULE-5451972522 [1,1,0,0,0,0|2,0,0]=4 1089 B8R1.72 CC1(CCCNC1)O MCULE-8102952158 [1,1,0,0,0,0|2,0,0]=4 1090 B8R1.72 CC1(CNCCS1)C MCULE-4332173948 [1,1,0,0,0,0|2,0,0]=4 1091 B8R1.72 CC1(CSCCN1)C MCULE-9621049146 [1,1,0,0,0,0|2,0,0]=4 1092 B8R1.72 C[C@@]1(CCCNC1)O MCULE-4258412383 [1,1,0,0,0,0|2,0,0]=4 1093 B8R1.72 C[C@@]1(CCCNC1)O MCULE-4809428117 [1,1,0,0,0,0|2,0,0]=4 1094 B8R1.72 C[C@@]1(CCCNC1)O MCULE-5529196606 [1,1,0,0,0,0|2,0,0]=4 1095 B8R1.72 C[C@]1(CCCNC1)O MCULE-1848066803 [1,1,0,0,0,0|2,0,0]=4 1096 B8R1.72 C[C@]1(CCCNC1)O MCULE-4327624120 [1,1,0,0,0,0|2,0,0]=4 1097 B8R1.72 C[C@]1(CCCNC1)O MCULE-4586680651 [1,1,0,0,0,0|2,0,0]=4 1098 B8R1.72 C[C@]1(CCCNC1)O MCULE-5076504348 [1,1,0,0,0,0|2,0,0]=4 1099 B8R1.1 CC1CC(CN1)CO MCULE-3385267892 [0,1,0,0,1,0|2,0,0]=4 1100 B8R1.1 CC1CC(CN1)CO MCULE-5508438719 [0,1,0,0,1,0|2,0,0]=4 1101 B8R1.1 CC1CCC(C1)CO MCULE-3130047677 [0,1,0,0,1,0|2,0,0]=4 1102 B8R1.1 CC1CNC(C1)CO MCULE-2461186712 [0,1,0,0,1,0|2,0,0]=4 1103 B8R1.1 CC1CNC(C1)CO MCULE-5209280647 [0,1,0,0,1,0|2,0,0]=4 1104 B8R1.1 CC1COC(C1)CO MCULE-4511313299 [0,1,0,0,1,0|1,1,0]=4 1105 B8R1.1 CNC1CCC(C1)O MCULE-1177292585 [0,1,0,0,1,0|2,0,0]=4 1106 B8R1.1 CNC1CCC(C1)O MCULE-5259471149 [0,1,0,0,1,0|2,0,0]=4 1107 B8R1.1 CN[C@@H]1CC[C@@H](C1)O MCULE-3921744037 [0,1,0,0,1,0|2,0,0]=4 1108 B8R1.1 COC1CCC(C1)Br MCULE-2042021360 [0,1,0,0,1,0|2,0,0]=4 1109 B8R1.1 COC1CCC(C1)N MCULE-4717179971 [0,1,0,0,1,0|2,0,0]=4 1110 B8R1.1 COC1CCC(C1)N MCULE-6288105544 [0,1,0,0,1,0|2,0,0]=4 1111 B8R1.1 COC1CCC(C1)O MCULE-3531007988 [0,1,0,0,1,0|1,0,0]=3 1112 B8R1.1 CO[C@@H]1CC[C@@H](C1)N MCULE-2875608408 [0,1,0,0,1,0|2,0,0]=4 1113 B8R1.1 CO[C@@H]1CC[C@@H](C1)N MCULE-8416754512 [0,1,0,0,1,0|2,0,0]=4 1114 B8R1.1 CO[C@@H]1CC[C@@H](C1)O MCULE-5232016028 [0,1,0,0,1,0|1,0,0]=3 1115 B8R1.1 CO[C@@H]1CC[C@H](C1)N MCULE-1888407079 [0,1,0,0,1,0|2,0,0]=4 1116 B8R1.1 CO[C@@H]1CC[C@H](C1)N MCULE-2445501949 [0,1,0,0,1,0|2,0,0]=4 1117 B8R1.1 CO[C@@H]1CC[C@H](C1)N MCULE-6019984409 [0,1,0,0,1,0|2,0,0]=4 1118 B8R1.1 CO[C@@H]1CC[C@H](C1)N MCULE-6778321044 [0,1,0,0,1,0|2,0,0]=4 1119 B8R1.1 CO[C@H]1CC[C@@H](C1)N MCULE-1126971030 [0,1,0,0,1,0|2,0,0]=4 1120 B8R1.1 CO[C@H]1CC[C@@H](C1)N MCULE-2897044722 [0,1,0,0,1,0|2,0,0]=4 1121 B8R1.1 CO[C@H]1CC[C@@H](C1)N MCULE-5627949204 [0,1,0,0,1,0|2,0,0]=4 1122 B8R1.1 CO[C@H]1CC[C@@H](C1)N MCULE-8060845967 [0,1,0,0,1,0|2,0,0]=4 1123 B8R1.1 CO[C@H]1CC[C@H](C1)N MCULE-1601734575 [0,1,0,0,1,0|2,0,0]=4 1124 B8R1.1 CO[C@H]1CC[C@H](C1)N MCULE-1920912186 [0,1,0,0,1,0|2,0,0]=4 1125 B8R1.1 CO[C@H]1CC[C@H](C1)N MCULE-3006479304 [0,1,0,0,1,0|2,0,0]=4 1126 B8R1.1 CO[C@H]1CC[C@H](C1)N MCULE-4560375617 [0,1,0,0,1,0|2,0,0]=4 1127 B8R1.1 C[C@@H]1CN[C@@H](C1)CO MCULE-1057201942 [0,1,0,0,1,0|2,0,0]=4 1128 B8R1.1 C[C@@H]1CN[C@@H](C1)CO MCULE-5251520971 [0,1,0,0,1,0|2,0,0]=4 1129 B8R1.1 C[C@H]1CN[C@@H](C1)CO MCULE-3784655204 [0,1,0,0,1,0|2,0,0]=4 1130 B8R1.1 C[C@H]1CN[C@@H](C1)CO MCULE-3927798393 [0,1,0,0,1,0|2,0,0]=4 1131 B8R1.1 C[C@H]1C[C@@H](CN1)CO MCULE-4062182666 [0,1,0,0,1,0|2,0,0]=4 1132 B8R1.1 C[C@H]1C[C@@H](CN1)CO MCULE-6218632921 [0,1,0,0,1,0|2,0,0]=4 1133 B8R1.1 N#CC1CCC(C1)O MCULE-5905406850 [0,1,0,0,1,0|2,0,0]=4 1134 B8R1.1 N#C[C@@H]1CC[C@@H](C1)O MCULE-8121411873 [0,1,0,0,1,0|2,0,0]=4 1135 B8R1.1 N#C[C@@H]1CC[C@H](C1)O MCULE-3581437653 [0,1,0,0,1,0|2,0,0]=4 1136 B8R1.1 N#C[C@@H]1CC[C@H](C1)O MCULE-5514135227 [0,1,0,0,1,0|2,0,0]=4 1137 B8R1.1 N#C[C@H]1CC[C@H](C1)O MCULE-5018154932 [0,1,0,0,1,0|2,0,0]=4 1138 B8R1.1 N#C[C@H]1CC[C@H](C1)O MCULE-9804475995 [0,1,0,0,1,0|2,0,0]=4 1139 B8R1.1 NCC1CCC(C1)O MCULE-1780130995 [0,1,0,0,1,0|2,0,0]=4 1140 B8R1.1 NCC1CCC(C1)O MCULE-5002398342 [0,1,0,0,1,0|2,0,0]=4 1141 B8R1.1 NCC1C[C@H](CN1)O MCULE-1428185082 [0,1,0,0,1,0|2,0,0]=4 1142 B8R1.1 NC[C@@H]1CC[C@@H](C1)O MCULE-2662561877 [0,1,0,0,1,0|2,0,0]=4 1143 B8R1.1 NC[C@@H]1CC[C@H](C1)O MCULE-9258933196 [0,1,0,0,1,0|2,0,0]=4 1144 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-1995293557 [0,1,0,0,1,0|2,0,0]=4 1145 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-9517253792 [0,1,0,0,1,0|2,0,0]=4 1146 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-5659749587 [0,1,0,0,1,0|2,0,0]=4 1147 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-9056303043 [0,1,0,0,1,0|2,0,0]=4 1148 B8R1.1 N[C@@H]1CN[C@H](C1)CO MCULE-7916347231 [0,1,0,0,1,0|2,0,0]=4 1149 B8R1.1 N[C@@H]1CN[C@H](C1)CO MCULE-8825406157 [0,1,0,0,1,0|2,0,0]=4 1150 B8R1.1 N[C@H]1CN[C@@H](C1)CO MCULE-3649010281 [0,1,0,0,1,0|2,0,0]=4 1151 B8R1.1 N[C@H]1CN[C@@H](C1)CO MCULE-5102365319 [0,1,0,0,1,0|2,0,0]=4 1152 B8R1.1 N[C@H]1CN[C@@H](C1)CO MCULE-8268517033 [0,1,0,0,1,0|2,0,0]=4 1153 B8R1.1 OC1COC(C1)CI MCULE-9241971646 [0,1,0,0,1,0|1,1,0]=4 1154 B8R1.1 OCC1CC(CN1)F MCULE-6111724005 [0,1,0,0,1,0|2,0,0]=4 1155 B8R1.1 OCC1CC(CN1)F MCULE-9466287708 [0,1,0,0,1,0|2,0,0]=4 1156 B8R1.1 OCC1CC(CN1)O MCULE-1017614151 [0,1,0,0,1,0|1,0,0]=3 1157 B8R1.1 OCC1CC(CN1)O MCULE-5049675085 [0,1,0,0,1,0|1,0,0]=3 1158 B8R1.1 OCC1CC(CO1)O MCULE-4648895678 [0,1,0,0,1,0|0,1,0]=3 1159 B8R1.1 OCC1CCC(C1)F MCULE-4786923020 [0,1,0,0,1,0|2,0,0]=4 1160 B8R1.1 OCC1CCC(C1)O MCULE-5225292788 [0,1,0,0,1,0|1,0,0]=3 1161 B8R1.1 OC[C@@H]1CC[C@@H](C1)O MCULE-7117159358 [0,1,0,0,1,0|1,0,0]=3 1162 B8R1.1 OC[C@@H]1CC[C@H](C1)F MCULE-4252726732 [0,1,0,0,1,0|2,0,0]=4 1163 B8R1.1 OC[C@@H]1C[C@@H](CN1)F MCULE-2619594606 [0,1,0,0,1,0|2,0,0]=4 1164 B8R1.1 OC[C@@H]1C[C@@H](CN1)F MCULE-3940168858 [0,1,0,0,1,0|2,0,0]=4 1165 B8R1.1 OC[C@@H]1C[C@@H](CN1)F MCULE-6567372757 [0,1,0,0,1,0|2,0,0]=4 1166 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-2521610955 [0,1,0,0,1,0|1,0,0]=3 1167 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-3659134136 [0,1,0,0,1,0|1,0,0]=3 1168 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-8149895498 [0,1,0,0,1,0|1,0,0]=3 1169 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-9582350102 [0,1,0,0,1,0|1,0,0]=3 1170 B8R1.1 OC[C@@H]1C[C@@H](CO1)O MCULE-7875239623 [0,1,0,0,1,0|0,1,0]=3 1171 B8R1.1 OC[C@@H]1C[C@H](CN1)F MCULE-4754863670 [0,1,0,0,1,0|2,0,0]=4 1172 B8R1.1 OC[C@@H]1C[C@H](CN1)F MCULE-4823692987 [0,1,0,0,1,0|2,0,0]=4 1173 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-4908761192 [0,1,0,0,1,0|1,0,0]=3 1174 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-5510339033 [0,1,0,0,1,0|1,0,0]=3 1175 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-7612890329 [0,1,0,0,1,0|1,0,0]=3 1176 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-8424913442 [0,1,0,0,1,0|1,0,0]=3 1177 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-7760122854 [0,1,0,0,1,0|1,0,0]=3 1178 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-9132554470 [0,1,0,0,1,0|1,0,0]=3 1179 B8R1.1 OC[C@H]1C[C@@H](CN1)F MCULE-2106727383 [0,1,0,0,1,0|2,0,0]=4 1180 B8R1.1 OC[C@H]1C[C@@H](CN1)F MCULE-3167425320 [0,1,0,0,1,0|2,0,0]=4 1181 B8R1.1 OC[C@H]1C[C@@H](CN1)F MCULE-5656834651 [0,1,0,0,1,0|2,0,0]=4 1182 B8R1.1 OC[C@H]1C[C@@H](CN1)F MCULE-9413584553 [0,1,0,0,1,0|2,0,0]=4 1183 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-2855908983 [0,1,0,0,1,0|1,0,0]=3 1184 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-5564885819 [0,1,0,0,1,0|1,0,0]=3 1185 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-9276468823 [0,1,0,0,1,0|1,0,0]=3 1186 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-9585503921 [0,1,0,0,1,0|1,0,0]=3 1187 B8R1.1 OC[C@H]1C[C@@H](CO1)O MCULE-5801561749 [0,1,0,0,1,0|0,1,0]=3 1188 B8R1.1 OC[C@H]1C[C@H](CN1)F MCULE-3583754715 [0,1,0,0,1,0|2,0,0]=4 1189 B8R1.1 OC[C@H]1C[C@H](CN1)F MCULE-3654392017 [0,1,0,0,1,0|2,0,0]=4 1190 B8R1.1 OC[C@H]1C[C@H](CN1)F MCULE-3959005096 [0,1,0,0,1,0|2,0,0]=4 1191 B8R1.1 OC[C@H]1C[C@H](CN1)F MCULE-9542838904 [0,1,0,0,1,0|2,0,0]=4 1192 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-2099905531 [0,1,0,0,1,0|1,0,0]=3 1193 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-5693059049 [0,1,0,0,1,0|1,0,0]=3 1194 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-6004929736 [0,1,0,0,1,0|1,0,0]=3 1195 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-8607282785 [0,1,0,0,1,0|1,0,0]=3 1196 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4197376814 [0,1,0,0,1,0|0,1,0]=3 1197 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4573543387 [0,1,0,0,1,0|0,1,0]=3 1198 B8R1.1 [C@H]1(CN[C@@H](C1)CO)C MCULE-1910074067 [0,1,0,0,1,0|2,0,0]=4 1199 B8R1.1 [C@H]1(CN[C@@H](C1)CO)C MCULE-9340203932 [0,1,0,0,1,0|2,0,0]=4 1200 B8R1.1 [C@H]1(CN[C@@H](C1)CO)F MCULE-7089143816 [0,1,0,0,1,0|2,0,0]=4 1201 B8R1.1 [C@H]1(C[C@H](CN1)F)CO MCULE-2231031404 [0,1,0,0,1,0|2,0,0]=4 1202 B8R1.1 [C@H]1(C[C@H](CN1)F)CO MCULE-6096542902 [0,1,0,0,1,0|2,0,0]=4 1203 B8R1.1 [C@H]1(C[C@H](CN1)N)CO MCULE-6496782896 [0,1,0,0,1,0|2,0,0]=4 1204 B8R1.1 [C@H]1(C[C@H](CN1)O)CO MCULE-4041584401 [0,1,0,0,1,0|1,0,0]=3 1205 B8R1.1 [C@H]1(C[C@H](CN1)O)CO MCULE-9607072956 [0,1,0,0,1,0|1,0,0]=3 1206 B8R1.18 NC1CC(C(C1)O)O MCULE-4578427017 [0,1,0,0,1,0|2,0,0]=4 1207 B8R1.18 NC1CC(C(C1)O)O MCULE-5175955370 [0,1,0,0,1,0|2,0,0]=4 1208 B8R1.18 NC1C[C@@H]([C@@H](C1)O)O MCULE-6906947518 [0,1,0,0,1,0|2,0,0]=4 1209 B8R1.18 NC1C[C@@H]([C@@H](C1)O)O MCULE-9885099468 [0,1,0,0,1,0|2,0,0]=4 1210 B8R1.18 N[C@@H]1C[C@@H]([C@@H](C1)O)O MCULE-1413629464 [0,1,0,0,1,0|2,0,0]=4 1211 B8R1.18 N[C@@H]1C[C@@H]([C@@H](C1)O)O MCULE-2282806557 [0,1,0,0,1,0|2,0,0]=4 1212 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)O)O MCULE-1533256813 [0,1,0,0,1,0|2,0,0]=4 1213 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)O)O MCULE-8968529452 [0,1,0,0,1,0|2,0,0]=4 1214 B8R1.50 CC1CCC(C1O)O MCULE-3292232581 [0,1,0,0,1,0|2,0,0]=4 1215 B8R1.50 NC1CCC(C1O)O MCULE-2902511864 [0,1,0,0,1,0|2,0,0]=4 1216 B8R1.50 NC1CCC(C1O)O MCULE-2997796956 [0,1,0,0,1,0|2,0,0]=4 1217 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-4654712954 [0,1,0,0,1,0|2,0,0]=4 1218 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-4756579413 [0,1,0,0,1,0|2,0,0]=4 1219 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-5386854672 [0,1,0,0,1,0|2,0,0]=4 1220 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-8517121727 [0,1,0,0,1,0|2,0,0]=4 1221 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-1001347318 [0,1,0,0,1,0|2,0,0]=4 1222 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-3161518566 [0,1,0,0,1,0|2,0,0]=4 1223 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-8097854840 [0,1,0,0,1,0|2,0,0]=4 1224 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-9614047785 [0,1,0,0,1,0|2,0,0]=4 1225 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-3397642974 [0,1,0,0,1,0|2,0,0]=4 1226 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-5620525999 [0,1,0,0,1,0|2,0,0]=4 1227 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-8393185418 [0,1,0,0,1,0|2,0,0]=4 1228 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-9763920178 [0,1,0,0,1,0|2,0,0]=4 1229 B8R1.50 OC1COC(C1O)O MCULE-2562953459 [0,1,0,0,1,0|0,1,0]=3 1230 B8R1.50 OC1OC[C@@H]([C@H]1O)O MCULE-4484765937 [0,1,0,0,1,0|0,1,0]=3 1231 B8R1.50 OC1OC[C@H]([C@@H]1O)O MCULE-4663451850 [0,1,0,0,1,0|0,1,0]=3 1232 B8R1.51 CC1(CC(CN1)O)C MCULE-5350721787 [0,1,0,0,1,0|2,0,0]=4 1233 B8R1.51 CC1(CC(CO1)O)C MCULE-6020499551 [0,1,0,0,1,0|1,1,0]=4 1234 B8R1.51 CC1(CCC(C1)N)O MCULE-2662110764 [0,1,0,0,1,0|2,0,0]=4 1235 B8R1.51 CC1(CCC(C1)N)O MCULE-8421528641 [0,1,0,0,1,0|2,0,0]=4 1236 B8R1.51 CC1(CCC(C1)O)N MCULE-1629381772 [0,1,0,0,1,0|2,0,0]=4 1237 B8R1.51 CC1(C[C@@H](CN1)O)C MCULE-2169130789 [0,1,0,0,1,0|2,0,0]=4 1238 B8R1.51 CC1(C[C@@H](CN1)O)C MCULE-9189212857 [0,1,0,0,1,0|2,0,0]=4 1239 B8R1.51 CC1CCC(C1)(C)O MCULE-5369529521 [0,1,0,0,1,0|2,0,0]=4 1240 B8R1.51 C[C@]1(CC[C@@H](C1)N)O MCULE-4320731186 [0,1,0,0,1,0|2,0,0]=4 1241 B8R1.51 OC1CCC(C1)(F)F MCULE-1999450750 [0,1,0,0,1,0|2,0,0]=4 1242 B8R1.51 O[C@@H]1CCC(C1)(F)F MCULE-1706759710 [0,1,0,0,1,0|2,0,0]=4 1243 B8R1.51 O[C@H]1CCC(C1)(F)F MCULE-5850589839 [0,1,0,0,1,0|2,0,0]=4 1244 B8R1.51 O[C@H]1CCC(C1)(F)F MCULE-8927166685 [0,1,0,0,1,0|2,0,0]=4 1245 B10R1.1 OCCC1CCC(CC1)O MCULE-3760583629 [0,2,0,0,0,0|2,0,0]=4 1246 B10R1.3 COC1CCC(CC1)CO MCULE-6740781995 [0,2,0,0,0,0|2,0,0]=4 1247 B10R1.3 COC1CCC(CC1)OC MCULE-2685490293 [0,2,0,0,0,0|2,0,0]=4 1248 B10R1.3 COC1COC(CO1)OC MCULE-2140631206 [0,2,0,0,0,0|0,2,0]=4 1249 B10R1.3 OCC1CCC(CC1)CO MCULE-6816231153 [0,2,0,0,0,0|2,0,0]=4 1250 B10R1.3 OCC1COC(CO1)CO MCULE-1954740011 [0,2,0,0,0,0|0,2,0]=4 1251 B10R1.3 OC[C@H]1CC[C@@H](CC1)CO MCULE-4824767912 [0,2,0,0,0,0|2,0,0]=4 1252 B10R1.3 OC[C@H]1CO[C@@H](CO1)CO MCULE-4815195866 [0,2,0,0,0,0|0,2,0]=4 1253 B10R1.13 O=C(O)C1CCC(CC1)O MCULE-2480420127 [0,2,0,0,0,0|2,0,0]=4 1254 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-3204705068 [0,2,0,0,0,0|2,0,0]=4 1255 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-7178398033 [0,2,0,0,0,0|2,0,0]=4 1256 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1384355113 [0,2,0,0,0,0|2,0,0]=4 1257 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1678351091 [0,2,0,0,0,0|2,0,0]=4 1258 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-5287470680 [0,2,0,0,0,0|2,0,0]=4 1259 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-7907264464 [0,2,0,0,0,0|2,0,0]=4 1260 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-2425882122 [0,2,0,0,0,0|2,0,0]=4 1261 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3071319870 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3130571634 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-4156067811 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-6185299507 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-8875046289 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O MCULE-6625595981 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-2267551829 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7339394632 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7777420620 [0,2,0,0,0,0|2,0,0]=4 1270 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-9629486094 [0,2,0,0,0,0|2,0,0]=4 1271 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)O MCULE-5519058025 [0,2,0,0,0,0|2,0,0]=4 1272 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-3991583469 [0,2,0,0,0,0|2,0,0]=4 1273 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8329848691 [0,2,0,0,0,0|2,0,0]=4 1274 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8730600296 [0,2,0,0,0,0|2,0,0]=4 1275 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1423621462 [0,2,0,0,0,0|2,0,0]=4 1276 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1814136074 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.26 CC1(CNC(CS1)CO)C MCULE-7668734972 [0,2,0,0,0,0|2,0,0]=4 1278 B10R1.176 COC1CC(C(CO1)O)O MCULE-5630589307 [0,2,0,0,0,0|1,1,0]=4 1279 B10R1.297 CC1(CSC(CS1)(C)O)O MCULE-7706791475 [0,2,0,0,0,0|0,0,0]=2 1280 B10R1.22 CC1OC(CC(C1O)N)O MCULE-4616714223 [0,2,0,0,0,0|1,1,0]=4 1281 B10R1.22 CC1OC(CC(C1O)N)O MCULE-5441966301 [0,2,0,0,0,0|1,1,0]=4 1282 B10R1.118 CC1OC(C(CC1O)O)O MCULE-8444631681 [0,2,0,0,0,0|1,1,0]=4 1283 B10R1.118 C[C@H]1O[C@@H]([C@H](C[C@@H]1O)O)O MCULE-7302298301 [0,2,0,0,0,0|1,1,0]=4 1284 B10R1.119 N[C@H]1C(OC[C@H]([C@H]1O)O)O MCULE-2962817888 [0,2,0,0,0,0|1,1,0]=4 1285 B10R1.119 N[C@H]1C(OC[C@H]([C@H]1O)O)O MCULE-8337656484 [0,2,0,0,0,0|1,1,0]=4 1286 B10R1.119 OC1COC(C(C1O)O)O MCULE-9012637888 [0,2,0,0,0,0|1,1,0]=4 1287 B10R1.119 OC1OC[C@@H]([C@@H]([C@@H]1O)O)O MCULE-8685967738 [0,2,0,0,0,0|1,1,0]=4 1288 B10R1.119 OC1OC[C@@H]([C@@H]([C@H]1O)O)O MCULE-3567006630 [0,2,0,0,0,0|1,1,0]=4 1289 B10R1.119 OC1OC[C@@H]([C@@H]([C@H]1O)O)O MCULE-6153872044 [0,2,0,0,0,0|1,1,0]=4 1290 B10R1.119 OC1OC[C@@H]([C@H]([C@H]1O)O)O MCULE-2115460439 [0,2,0,0,0,0|1,1,0]=4 1291 B10R1.119 OC1OC[C@@H]([C@H]([C@H]1O)O)O MCULE-3557530345 [0,2,0,0,0,0|1,1,0]=4 1292 B10R1.119 OC1OC[C@H]([C@@H]([C@@H]1O)O)O MCULE-1146473136 [0,2,0,0,0,0|1,1,0]=4 1293 B10R1.119 OC1OC[C@H]([C@@H]([C@@H]1O)O)O MCULE-8580385628 [0,2,0,0,0,0|1,1,0]=4 1294 B10R1.119 OC1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-5101119310 [0,2,0,0,0,0|1,1,0]=4 1295 B10R1.119 OC1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-6712291045 [0,2,0,0,0,0|1,1,0]=4 1296 B10R1.119 OC1OC[C@H]([C@H](C1O)O)O MCULE-4495295680 [0,2,0,0,0,0|1,1,0]=4 1297 B10R1.119 OC1OC[C@H]([C@H]([C@@H]1O)O)O MCULE-4923660038 [0,2,0,0,0,0|1,1,0]=4 1298 B10R1.119 OC1OC[C@H]([C@H]([C@@H]1O)O)O MCULE-9067564650 [0,2,0,0,0,0|1,1,0]=4 1299 B10R1.119 OC1OC[C@H]([C@H]([C@H]1O)O)O MCULE-5407662391 [0,2,0,0,0,0|1,1,0]=4 1300 B10R1.119 OC1OC[C@H]([C@H]([C@H]1O)O)O MCULE-5843430183 [0,2,0,0,0,0|1,1,0]=4 1301 B10R1.119 OC1[C@@H](OC[C@H]([C@H]1O)O)O MCULE-9352209918 [0,2,0,0,0,0|1,1,0]=4 1302 B10R1.119 O[C@H]1CO[C@@H]([C@@H]([C@@H]1O)O)O MCULE-6141698617 [0,2,0,0,0,0|1,1,0]=4 1303 B10R1.119 O[C@H]1CO[C@@H]([C@@H]([C@H]1O)O)O MCULE-3308600336 [0,2,0,0,0,0|1,1,0]=4 1304 B10R1.119 O[C@H]1CO[C@@H]([C@@H]([C@H]1O)O)O MCULE-8705835748 [0,2,0,0,0,0|1,1,0]=4 1305 B10R1.119 O[C@H]1CO[C@H]([C@@H]([C@@H]1O)O)O MCULE-3888115612 [0,2,0,0,0,0|1,1,0]=4 1306 B10R1.119 O[C@H]1CO[C@H]([C@@H]([C@H]1O)O)O MCULE-9731791240 [0,2,0,0,0,0|1,1,0]=4 1307 B10R1.119 O[C@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-4707689321 [0,2,0,0,0,0|1,1,0]=4 1308 B10R1.119 O[C@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-5117456353 [0,2,0,0,0,0|1,1,0]=4 1309 B10R1.119 O[C@H]1[C@@H](CO[C@H]([C@@H]1O)O)O MCULE-2748557639 [0,2,0,0,0,0|1,1,0]=4 1310 B8R1.22 OC1CCCOCC1 MCULE-6712544119 [0,0,1,1,0,0|2,0,0]=4 1311 B8R2.2 OC12CNCC1C2 MCULE-4871733427 [1,0,0,1,0,0|2,0,0]=4 1312 B8R2.2 OC12CNCC1C2 MCULE-9523698203 [1,0,0,1,0,0|2,0,0]=4 1313 B8R2.18 OC1CC2CC2C1 MCULE-8286897753 [1,0,0,1,0,0|2,0,0]=4 1314 B8R2.18 OC1C[C@@H]2C[C@H]2C1 MCULE-5372275932 [1,0,0,1,0,0|2,0,0]=4 1315 B8R2.18 [C@H]12C[C@@H](C[C@H]1C2)O MCULE-6709379275 [1,0,0,1,0,0|2,0,0]=4 1316 B8R2.18 [C@H]12C[C@H](C[C@H]1C2)O MCULE-6265084997 [1,0,0,1,0,0|2,0,0]=4 1317 B8R2.23 C1NCC2CC1O2 MCULE-3930964839 [1,0,0,1,0,0|2,0,0]=4 1318 B8R2.23 C1NCC2CC1O2 MCULE-6584286025 [1,0,0,1,0,0|2,0,0]=4 1319 B8R2.23 C1SCC2CC1N2 MCULE-5259589886 [1,0,0,1,0,0|2,0,0]=4 1320 B8R2.25 C1CC2OC2CN1 MCULE-5099290074 [1,0,0,1,0,0|2,0,0]=4 1321 B8R2.25 C1CC2OC2CN1 MCULE-7618321880 [1,0,0,1,0,0|2,0,0]=4 1322 B8R2.25 C1CC2OC2CO1 MCULE-4990291348 [1,0,0,1,0,0|1,1,0]=4 1323 B8R2.25 C1CCC2OC2C1 MCULE-1362146416 [1,0,0,1,0,0|2,0,0]=4 1324 B8R2.34 C12CCC(O1)CC2 MCULE-3311907785 [1,0,0,1,0,0|2,0,0]=4 1325 B8R2.34 C1CC2CCC1O2 MCULE-2448969815 [1,0,0,1,0,0|2,0,0]=4 1326 B8R2.34 C1SC2CNC1C2 MCULE-5094163785 [1,0,0,1,0,0|2,0,0]=4 1327 B8R2.34 C1SC2CNC1C2 MCULE-6636140156 [1,0,0,1,0,0|2,0,0]=4 1328 B8R2.38 OC1CCC2C1C2 MCULE-7193372575 [1,0,0,1,0,0|2,0,0]=4 1329 B8R2.38 O[C@@H]1CC[C@@H]2[C@H]1C2 MCULE-5135101961 [1,0,0,1,0,0|2,0,0]=4 1330 B10R2.178 OC1CCC2COC1O2 MCULE-2788974769 [0,0,0,1,0,1|1,1,0]=4 1331 B10R2.571 OC12CCC(C1)(CC2)O MCULE-1890949051 [0,1,0,1,0,0|2,0,0]=4 1332 B10R2.60 OC1CC2CC1CC2O MCULE-1737041652 [0,1,0,1,0,0|2,0,0]=4 1333 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [0,0,1,0,1,0|2,0,0]=4 1334 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [0,0,1,0,1,0|2,0,0]=4 1335 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [0,0,1,0,1,0|2,0,0]=4 1336 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,0,1,0,1,0|2,0,0]=4 1337 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,1,0,1,0|0,1,1]=4 1338 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,1,0,1,0|0,1,1]=4 1339 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,0,1,0,1,0|1,0,0]=3 1340 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,1,0,1,0|0,1,1]=4 1341 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,1,0,1,0|0,1,1]=4 1342 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,0,1,0,1,0|1,0,0]=3 1343 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,0,1,0,1,0|1,0,0]=3 1344 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,0,1,0,1,0|1,0,0]=3 1345 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,1,0,1,0|0,1,1]=4 1346 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,1,0,1,0|0,1,1]=4 1347 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,0,1,0,1,0|1,0,0]=3 1348 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,0,1,0,1,0|1,0,0]=3 1349 B6R1.2 BrC1CCCC1 MCULE-9383923023 [1,0,0,0,1,0|2,0,0]=4 1350 B6R1.2 BrC1CCNC1 MCULE-4841543716 [1,0,0,0,1,0|2,0,0]=4 1351 B6R1.2 BrC1CCNC1 MCULE-4954951045 [1,0,0,0,1,0|2,0,0]=4 1352 B6R1.2 BrC1CCNC1 MCULE-7176123276 [1,0,0,0,1,0|2,0,0]=4 1353 B6R1.2 BrC1CCOC1 MCULE-7037144528 [1,0,0,0,1,0|1,1,0]=4 1354 B6R1.2 BrC1CCSC1 MCULE-6663716947 [1,0,0,0,1,0|1,0,0]=3 1355 B6R1.2 Br[C@@H]1CCNC1 MCULE-1681494552 [1,0,0,0,1,0|2,0,0]=4 1356 B6R1.2 Br[C@@H]1CCNC1 MCULE-1764777534 [1,0,0,0,1,0|2,0,0]=4 1357 B6R1.2 Br[C@@H]1CCNC1 MCULE-2455801012 [1,0,0,0,1,0|2,0,0]=4 1358 B6R1.2 Br[C@@H]1CCNC1 MCULE-8945784733 [1,0,0,0,1,0|2,0,0]=4 1359 B6R1.2 Br[C@H]1CCNC1 MCULE-5014033994 [1,0,0,0,1,0|2,0,0]=4 1360 B6R1.2 Br[C@H]1CCNC1 MCULE-5217617272 [1,0,0,0,1,0|2,0,0]=4 1361 B6R1.2 Br[C@H]1CCNC1 MCULE-8899453530 [1,0,0,0,1,0|2,0,0]=4 1362 B6R1.2 Br[C@H]1CCNC1 MCULE-9461718131 [1,0,0,0,1,0|2,0,0]=4 1363 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [1,0,0,0,1,0|1,1,0]=4 1364 B6R1.2 C1(CCNC1)C MCULE-2542646403 [1,0,0,0,1,0|2,0,0]=4 1365 B6R1.2 C1(CCNC1)C MCULE-4538835016 [1,0,0,0,1,0|2,0,0]=4 1366 B6R1.2 C1(CCNC1)F MCULE-2259566125 [1,0,0,0,1,0|2,0,0]=4 1367 B6R1.2 C1(CCNC1)F MCULE-3325393466 [1,0,0,0,1,0|2,0,0]=4 1368 B6R1.2 C1(CCNC1)O MCULE-2676539647 [1,0,0,0,1,0|1,0,0]=3 1369 B6R1.2 C1(CCNC1)O MCULE-4228466615 [1,0,0,0,1,0|1,0,0]=3 1370 B6R1.2 C1(CCOC1)I MCULE-4877322062 [1,0,0,0,1,0|1,1,0]=4 1371 B6R1.2 C1(CCOC1)N MCULE-2221007915 [1,0,0,0,1,0|1,1,0]=4 1372 B6R1.2 C1(CCOC1)N MCULE-3972931474 [1,0,0,0,1,0|1,1,0]=4 1373 B6R1.2 C1(CCOC1)O MCULE-3631749536 [1,0,0,0,1,0|0,1,0]=3 1374 B6R1.2 C=C1CCSC1 MCULE-7042571473 [1,0,0,0,1,0|1,0,1]=4 1375 B6R1.2 CC1CCCC1 MCULE-4702116068 [1,0,0,0,1,0|2,0,0]=4 1376 B6R1.2 CC1CCCN1 MCULE-4853624560 [1,0,0,0,1,0|2,0,0]=4 1377 B6R1.2 CC1CCCN1 MCULE-5939948024 [1,0,0,0,1,0|2,0,0]=4 1378 B6R1.2 CC1CCCN1 MCULE-6020011445 [1,0,0,0,1,0|2,0,0]=4 1379 B6R1.2 CC1CCCN1 MCULE-7855346849 [1,0,0,0,1,0|2,0,0]=4 1380 B6R1.2 CC1CCCO1 MCULE-2526138687 [1,0,0,0,1,0|1,1,0]=4 1381 B6R1.2 CC1CCCS1 MCULE-8372499972 [1,0,0,0,1,0|1,0,0]=3 1382 B6R1.2 CC1CCNC1 MCULE-6494098173 [1,0,0,0,1,0|2,0,0]=4 1383 B6R1.2 CC1CCNC1 MCULE-8260364514 [1,0,0,0,1,0|2,0,0]=4 1384 B6R1.2 CC1CCOC1 MCULE-6424683416 [1,0,0,0,1,0|1,1,0]=4 1385 B6R1.2 CC1CCSC1 MCULE-7445511318 [1,0,0,0,1,0|1,0,0]=3 1386 B6R1.2 CC1NCCS1 MCULE-8457840375 [1,0,0,0,1,0|2,0,0]=4 1387 B6R1.2 CC1SCCS1 MCULE-5011453273 [1,0,0,0,1,0|1,0,0]=3 1388 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [1,0,0,0,1,0|2,0,0]=4 1389 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [1,0,0,0,1,0|2,0,0]=4 1390 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [1,0,0,0,1,0|2,0,0]=4 1391 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [1,0,0,0,1,0|2,0,0]=4 1392 B6R1.2 C[C@@H]1CCNC1 MCULE-5345577321 [1,0,0,0,1,0|2,0,0]=4 1393 B6R1.2 C[C@@H]1CCNC1 MCULE-5749945455 [1,0,0,0,1,0|2,0,0]=4 1394 B6R1.2 C[C@@H]1CCNC1 MCULE-8967606188 [1,0,0,0,1,0|2,0,0]=4 1395 B6R1.2 C[C@@H]1CCNC1 MCULE-8996756392 [1,0,0,0,1,0|2,0,0]=4 1396 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [1,0,0,0,1,0|2,0,0]=4 1397 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [1,0,0,0,1,0|2,0,0]=4 1398 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [1,0,0,0,1,0|2,0,0]=4 1399 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [1,0,0,0,1,0|2,0,0]=4 1400 B6R1.2 C[C@H]1CCNC1 MCULE-1866792897 [1,0,0,0,1,0|2,0,0]=4 1401 B6R1.2 C[C@H]1CCNC1 MCULE-3817248567 [1,0,0,0,1,0|2,0,0]=4 1402 B6R1.2 C[C@H]1CCNC1 MCULE-7938243226 [1,0,0,0,1,0|2,0,0]=4 1403 B6R1.2 C[C@H]1CCNC1 MCULE-8895875203 [1,0,0,0,1,0|2,0,0]=4 1404 B6R1.2 ClC1CCCC1 MCULE-3285928655 [1,0,0,0,1,0|2,0,0]=4 1405 B6R1.2 ClC1CCNC1 MCULE-5659561118 [1,0,0,0,1,0|2,0,0]=4 1406 B6R1.2 ClC1CCNC1 MCULE-6180477494 [1,0,0,0,1,0|2,0,0]=4 1407 B6R1.2 ClC1CCNC1 MCULE-6964859207 [1,0,0,0,1,0|2,0,0]=4 1408 B6R1.2 ClC1CCNC1 MCULE-8389509440 [1,0,0,0,1,0|2,0,0]=4 1409 B6R1.2 ClC1CCOC1 MCULE-6903762147 [1,0,0,0,1,0|1,1,0]=4 1410 B6R1.2 Cl[C@@H]1CCNC1 MCULE-3218152098 [1,0,0,0,1,0|2,0,0]=4 1411 B6R1.2 Cl[C@@H]1CCNC1 MCULE-6728755007 [1,0,0,0,1,0|2,0,0]=4 1412 B6R1.2 Cl[C@@H]1CCNC1 MCULE-7223308304 [1,0,0,0,1,0|2,0,0]=4 1413 B6R1.2 Cl[C@@H]1CCNC1 MCULE-9699335522 [1,0,0,0,1,0|2,0,0]=4 1414 B6R1.2 Cl[C@H]1CCNC1 MCULE-1696981588 [1,0,0,0,1,0|2,0,0]=4 1415 B6R1.2 Cl[C@H]1CCNC1 MCULE-4535592624 [1,0,0,0,1,0|2,0,0]=4 1416 B6R1.2 Cl[C@H]1CCNC1 MCULE-4850151938 [1,0,0,0,1,0|2,0,0]=4 1417 B6R1.2 Cl[C@H]1CCNC1 MCULE-8947782807 [1,0,0,0,1,0|2,0,0]=4 1418 B6R1.2 FC1CCCC1 MCULE-1416016970 [1,0,0,0,1,0|2,0,0]=4 1419 B6R1.2 FC1CCNC1 MCULE-3601135445 [1,0,0,0,1,0|2,0,0]=4 1420 B6R1.2 FC1CCNC1 MCULE-8578750940 [1,0,0,0,1,0|2,0,0]=4 1421 B6R1.2 F[C@@H]1CCNC1 MCULE-4408739710 [1,0,0,0,1,0|2,0,0]=4 1422 B6R1.2 F[C@@H]1CCNC1 MCULE-5678498844 [1,0,0,0,1,0|2,0,0]=4 1423 B6R1.2 F[C@@H]1CCNC1 MCULE-5679054116 [1,0,0,0,1,0|2,0,0]=4 1424 B6R1.2 F[C@@H]1CCNC1 MCULE-7029204180 [1,0,0,0,1,0|2,0,0]=4 1425 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [1,0,0,0,1,0|2,0,0]=4 1426 B6R1.2 F[C@H]1CCNC1 MCULE-2854402872 [1,0,0,0,1,0|2,0,0]=4 1427 B6R1.2 F[C@H]1CCNC1 MCULE-4493640982 [1,0,0,0,1,0|2,0,0]=4 1428 B6R1.2 F[C@H]1CCNC1 MCULE-7441383471 [1,0,0,0,1,0|2,0,0]=4 1429 B6R1.2 F[C@H]1CCNC1 MCULE-7946601643 [1,0,0,0,1,0|2,0,0]=4 1430 B6R1.2 IC1CCCC1 MCULE-2705379744 [1,0,0,0,1,0|2,0,0]=4 1431 B6R1.2 IC1CCNC1 MCULE-3058541551 [1,0,0,0,1,0|2,0,0]=4 1432 B6R1.2 IC1CCNC1 MCULE-5326267139 [1,0,0,0,1,0|2,0,0]=4 1433 B6R1.2 IC1CCOC1 MCULE-1379775972 [1,0,0,0,1,0|1,1,0]=4 1434 B6R1.2 I[C@@H]1CCNC1 MCULE-3800433724 [1,0,0,0,1,0|2,0,0]=4 1435 B6R1.2 I[C@@H]1CCNC1 MCULE-3857825133 [1,0,0,0,1,0|2,0,0]=4 1436 B6R1.2 I[C@@H]1CCNC1 MCULE-7781267462 [1,0,0,0,1,0|2,0,0]=4 1437 B6R1.2 I[C@@H]1CCNC1 MCULE-7979843810 [1,0,0,0,1,0|2,0,0]=4 1438 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [1,0,0,0,1,0|1,1,0]=4 1439 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [1,0,0,0,1,0|1,1,0]=4 1440 B6R1.2 I[C@H]1CCNC1 MCULE-1218289403 [1,0,0,0,1,0|2,0,0]=4 1441 B6R1.2 I[C@H]1CCNC1 MCULE-7469922084 [1,0,0,0,1,0|2,0,0]=4 1442 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [1,0,0,0,1,0|1,1,0]=4 1443 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [1,0,0,0,1,0|1,1,0]=4 1444 B6R1.2 N=C1CCCS1 MCULE-4228855265 [1,0,0,0,1,0|1,0,1]=4 1445 B6R1.2 N=C1CCCS1 MCULE-7496124035 [1,0,0,0,1,0|1,0,1]=4 1446 B6R1.2 NC1CCCC1 MCULE-2292038009 [1,0,0,0,1,0|2,0,0]=4 1447 B6R1.2 NC1CCNC1 MCULE-2237528072 [1,0,0,0,1,0|2,0,0]=4 1448 B6R1.2 NC1CCNC1 MCULE-5167920547 [1,0,0,0,1,0|2,0,0]=4 1449 B6R1.2 NC1CCNC1 MCULE-5837785719 [1,0,0,0,1,0|2,0,0]=4 1450 B6R1.2 NC1CCOC1 MCULE-1276945018 [1,0,0,0,1,0|1,1,0]=4 1451 B6R1.2 NC1CCOC1 MCULE-8146259495 [1,0,0,0,1,0|1,1,0]=4 1452 B6R1.2 NC1CCSC1 MCULE-8972229387 [1,0,0,0,1,0|1,0,0]=3 1453 B6R1.2 NC1CCSC1 MCULE-9186640582 [1,0,0,0,1,0|1,0,0]=3 1454 B6R1.2 NC1CSSC1 MCULE-4887591316 [1,0,0,0,1,0|2,0,0]=4 1455 B6R1.2 NC1CSSC1 MCULE-5524609325 [1,0,0,0,1,0|2,0,0]=4 1456 B6R1.2 NC1CSSC1 MCULE-9014844047 [1,0,0,0,1,0|2,0,0]=4 1457 B6R1.2 N[C@@H]1CCNC1 MCULE-6043697974 [1,0,0,0,1,0|2,0,0]=4 1458 B6R1.2 N[C@@H]1CCNC1 MCULE-8912264932 [1,0,0,0,1,0|2,0,0]=4 1459 B6R1.2 N[C@@H]1CCNC1 MCULE-9183647019 [1,0,0,0,1,0|2,0,0]=4 1460 B6R1.2 N[C@@H]1CCNC1 MCULE-9608760183 [1,0,0,0,1,0|2,0,0]=4 1461 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [1,0,0,0,1,0|1,1,0]=4 1462 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [1,0,0,0,1,0|1,1,0]=4 1463 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [1,0,0,0,1,0|1,1,0]=4 1464 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [1,0,0,0,1,0|1,1,0]=4 1465 B6R1.2 N[C@H]1CCNC1 MCULE-3573455998 [1,0,0,0,1,0|2,0,0]=4 1466 B6R1.2 N[C@H]1CCNC1 MCULE-3988158945 [1,0,0,0,1,0|2,0,0]=4 1467 B6R1.2 N[C@H]1CCNC1 MCULE-4526890579 [1,0,0,0,1,0|2,0,0]=4 1468 B6R1.2 N[C@H]1CCNC1 MCULE-8548728927 [1,0,0,0,1,0|2,0,0]=4 1469 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [1,0,0,0,1,0|1,1,0]=4 1470 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [1,0,0,0,1,0|1,1,0]=4 1471 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [1,0,0,0,1,0|1,1,0]=4 1472 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [1,0,0,0,1,0|1,1,0]=4 1473 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,0,1,0|0,0,2]=4 1474 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,0,1,0|0,0,2]=4 1475 B6R1.2 OC1C=CCC1 MCULE-3857764876 [1,0,0,0,1,0|1,0,1]=4 1476 B6R1.2 OC1CC=CC1 MCULE-6176562196 [1,0,0,0,1,0|1,0,1]=4 1477 B6R1.2 OC1CCCC1 MCULE-1758440264 [1,0,0,0,1,0|1,0,0]=3 1478 B6R1.2 OC1CCCN1 MCULE-4787168972 [1,0,0,0,1,0|1,0,0]=3 1479 B6R1.2 OC1CCCO1 MCULE-9632627344 [1,0,0,0,1,0|0,1,0]=3 1480 B6R1.2 OC1CCNC1 MCULE-4307402606 [1,0,0,0,1,0|1,0,0]=3 1481 B6R1.2 OC1CCNC1 MCULE-6745480350 [1,0,0,0,1,0|1,0,0]=3 1482 B6R1.2 OC1CCOC1 MCULE-4469581028 [1,0,0,0,1,0|0,1,0]=3 1483 B6R1.2 OC1CCSC1 MCULE-9796808599 [1,0,0,0,1,0|0,0,0]=2 1484 B6R1.2 OC1CNOC1 MCULE-3414700581 [1,0,0,0,1,0|1,1,0]=4 1485 B6R1.2 OC1CNOC1 MCULE-8163403090 [1,0,0,0,1,0|1,1,0]=4 1486 B6R1.2 OC1CNOC1 MCULE-8644852072 [1,0,0,0,1,0|1,1,0]=4 1487 B6R1.2 OC1C[NH2+]OC1 MCULE-7865131527 [1,0,0,0,1,0|1,1,0]=4 1488 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [1,0,0,0,1,0|1,0,0]=3 1489 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [1,0,0,0,1,0|1,0,0]=3 1490 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [1,0,0,0,1,0|1,0,0]=3 1491 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [1,0,0,0,1,0|1,0,0]=3 1492 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [1,0,0,0,1,0|0,1,0]=3 1493 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [1,0,0,0,1,0|0,1,0]=3 1494 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [1,0,0,0,1,0|0,1,0]=3 1495 B6R1.2 O[C@@H]1CCSC1 MCULE-3532754705 [1,0,0,0,1,0|0,0,0]=2 1496 B6R1.2 O[C@@H]1CCSC1 MCULE-5800407146 [1,0,0,0,1,0|0,0,0]=2 1497 B6R1.2 O[C@@H]1CNOC1 MCULE-1481945185 [1,0,0,0,1,0|1,1,0]=4 1498 B6R1.2 O[C@@H]1CNOC1 MCULE-4156521353 [1,0,0,0,1,0|1,1,0]=4 1499 B6R1.2 O[C@@H]1CNOC1 MCULE-5692816168 [1,0,0,0,1,0|1,1,0]=4 1500 B6R1.2 O[C@@H]1CNOC1 MCULE-6838604903 [1,0,0,0,1,0|1,1,0]=4 1501 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [1,0,0,0,1,0|1,0,0]=3 1502 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [1,0,0,0,1,0|1,0,0]=3 1503 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [1,0,0,0,1,0|1,0,0]=3 1504 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [1,0,0,0,1,0|1,0,0]=3 1505 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [1,0,0,0,1,0|0,1,0]=3 1506 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [1,0,0,0,1,0|0,1,0]=3 1507 B6R1.2 O[C@H]1CNOC1 MCULE-1746817114 [1,0,0,0,1,0|1,1,0]=4 1508 B6R1.2 O[C@H]1CNOC1 MCULE-4469396812 [1,0,0,0,1,0|1,1,0]=4 1509 B6R1.2 O[C@H]1CNOC1 MCULE-7167785164 [1,0,0,0,1,0|1,1,0]=4 1510 B6R1.2 O[C@H]1CNOC1 MCULE-8409877332 [1,0,0,0,1,0|1,1,0]=4 1511 B6R1.2 S=C1SCCS1 MCULE-3003900032 [1,0,0,0,1,0|0,1,1]=4 1512 B6R1.2 SC1CCCC1 MCULE-5932400506 [1,0,0,0,1,0|1,1,0]=4 1513 B6R1.2 SC1CCOC1 MCULE-9247906418 [1,0,0,0,1,0|0,2,0]=4 1514 B6R1.2 SC1CCSC1 MCULE-5955380477 [1,0,0,0,1,0|0,1,0]=3 1515 B6R1.2 [NH3+]C1CC[NH2+]C1 MCULE-3374468196 [1,0,0,0,1,0|2,0,0]=4 1516 B6R1.4 CC1CCC1O MCULE-3852133104 [0,0,0,0,2,0|2,0,0]=4 1517 B6R1.4 CC1NCC1O MCULE-6512695808 [0,0,0,0,2,0|2,0,0]=4 1518 B6R1.4 CC1NCC1O MCULE-8357296054 [0,0,0,0,2,0|2,0,0]=4 1519 B6R1.4 CC1OCC1O MCULE-1893283492 [0,0,0,0,2,0|1,1,0]=4 1520 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-1528414534 [0,0,0,0,2,0|2,0,0]=4 1521 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-2910306067 [0,0,0,0,2,0|2,0,0]=4 1522 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3197698089 [0,0,0,0,2,0|2,0,0]=4 1523 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3295326997 [0,0,0,0,2,0|2,0,0]=4 1524 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-5640695802 [0,0,0,0,2,0|2,0,0]=4 1525 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-7598216076 [0,0,0,0,2,0|2,0,0]=4 1526 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3152396704 [0,0,0,0,2,0|2,0,0]=4 1527 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3248209918 [0,0,0,0,2,0|2,0,0]=4 1528 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3575939824 [0,0,0,0,2,0|2,0,0]=4 1529 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-4120662394 [0,0,0,0,2,0|2,0,0]=4 1530 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-3510002118 [0,0,0,0,2,0|2,0,0]=4 1531 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-6901722671 [0,0,0,0,2,0|2,0,0]=4 1532 B6R1.4 C[C@H]1NC[C@H]1O MCULE-1733557375 [0,0,0,0,2,0|2,0,0]=4 1533 B6R1.4 C[C@H]1NC[C@H]1O MCULE-3026150373 [0,0,0,0,2,0|2,0,0]=4 1534 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7386387747 [0,0,0,0,2,0|2,0,0]=4 1535 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7405032693 [0,0,0,0,2,0|2,0,0]=4 1536 B6R1.4 NC1CCC1O MCULE-4636397534 [0,0,0,0,2,0|2,0,0]=4 1537 B6R1.4 NC1CCC1O MCULE-7148132261 [0,0,0,0,2,0|2,0,0]=4 1538 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,0,0,0,2,0|2,0,0]=4 1539 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,0,0,0,2,0|2,0,0]=4 1540 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,0,0,0,2,0|2,0,0]=4 1541 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,0,0,0,2,0|2,0,0]=4 1542 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,0,0,0,2,0|2,0,0]=4 1543 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,0,0,0,2,0|2,0,0]=4 1544 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,0,0,0,2,0|2,0,0]=4 1545 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,0,0,0,2,0|2,0,0]=4 1546 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,0,0,0,2,0|2,0,0]=4 1547 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,0,0,0,2,0|2,0,0]=4 1548 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,0,0,0,2,0|2,0,0]=4 1549 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,0,0,0,2,0|2,0,0]=4 1550 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,0,0,0,2,0|2,0,0]=4 1551 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,0,0,0,2,0|2,0,0]=4 1552 B6R1.4 OC1CCC1O MCULE-3286787157 [0,0,0,0,2,0|1,0,0]=3 1553 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-5060593050 [0,0,0,0,2,0|1,0,0]=3 1554 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-6357622033 [0,0,0,0,2,0|1,0,0]=3 1555 B6R1.4 O[C@H]1CC[C@H]1O MCULE-7964152901 [0,0,0,0,2,0|1,0,0]=3 1556 B6R1.5 CC1CC(C1)N MCULE-5323299846 [0,0,0,0,2,0|2,0,0]=4 1557 B6R1.5 CC1CC(C1)N MCULE-9940885824 [0,0,0,0,2,0|2,0,0]=4 1558 B6R1.5 CC1CC(C1)O MCULE-8612661286 [0,0,0,0,2,0|1,0,0]=3 1559 B6R1.5 CN1CC(C1)O MCULE-2897194266 [0,0,0,0,2,0|2,0,0]=4 1560 B6R1.5 CN1CC(C1)O MCULE-3717153558 [0,0,0,0,2,0|2,0,0]=4 1561 B6R1.5 CN1CC(C1)O MCULE-7229396078 [0,0,0,0,2,0|2,0,0]=4 1562 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-1535311916 [0,0,0,0,2,0|2,0,0]=4 1563 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-2831484375 [0,0,0,0,2,0|2,0,0]=4 1564 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-7323273959 [0,0,0,0,2,0|2,0,0]=4 1565 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-9517005721 [0,0,0,0,2,0|2,0,0]=4 1566 B6R1.5 C[C@H]1C[C@H](C1)O MCULE-9757332081 [0,0,0,0,2,0|1,0,0]=3 1567 B6R1.5 NC1CC(C1)Br MCULE-1024702653 [0,0,0,0,2,0|2,0,0]=4 1568 B6R1.5 NC1CC(C1)Br MCULE-6956910745 [0,0,0,0,2,0|2,0,0]=4 1569 B6R1.5 NC1CC(C1)Cl MCULE-2079032271 [0,0,0,0,2,0|2,0,0]=4 1570 B6R1.5 NC1CC(C1)Cl MCULE-9907911910 [0,0,0,0,2,0|2,0,0]=4 1571 B6R1.5 NC1CC(C1)F MCULE-8668562856 [0,0,0,0,2,0|2,0,0]=4 1572 B6R1.5 NC1CC(C1)F MCULE-9413732351 [0,0,0,0,2,0|2,0,0]=4 1573 B6R1.5 NC1CC(C1)N MCULE-2499828215 [0,0,0,0,2,0|2,0,0]=4 1574 B6R1.5 NC1CC(C1)N MCULE-9585725038 [0,0,0,0,2,0|2,0,0]=4 1575 B6R1.5 NC1CC(C1)O MCULE-3800806511 [0,0,0,0,2,0|1,0,0]=3 1576 B6R1.5 NC1CC(C1)O MCULE-4101412744 [0,0,0,0,2,0|1,0,0]=3 1577 B6R1.5 NN1CC(C1)O MCULE-1883589988 [0,0,0,0,2,0|2,0,0]=4 1578 B6R1.5 NN1CC(C1)O MCULE-4736517920 [0,0,0,0,2,0|2,0,0]=4 1579 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-2563959776 [0,0,0,0,2,0|2,0,0]=4 1580 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-4159438704 [0,0,0,0,2,0|2,0,0]=4 1581 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-1693657713 [0,0,0,0,2,0|2,0,0]=4 1582 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-2842964955 [0,0,0,0,2,0|2,0,0]=4 1583 B6R1.5 N[C@H]1C[C@@H](C1)N MCULE-7371432215 [0,0,0,0,2,0|2,0,0]=4 1584 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-3690359453 [0,0,0,0,2,0|1,0,0]=3 1585 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-6031478808 [0,0,0,0,2,0|1,0,0]=3 1586 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-7248556800 [0,0,0,0,2,0|2,0,0]=4 1587 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-8169894230 [0,0,0,0,2,0|2,0,0]=4 1588 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-2358029728 [0,0,0,0,2,0|2,0,0]=4 1589 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-8703864989 [0,0,0,0,2,0|2,0,0]=4 1590 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2367486822 [0,0,0,0,2,0|1,0,0]=3 1591 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2477923057 [0,0,0,0,2,0|1,0,0]=3 1592 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,0,0,0,2,0|0,0,2]=4 1593 B6R1.5 OC1CC(C1)Br MCULE-8550195809 [0,0,0,0,2,0|1,0,0]=3 1594 B6R1.5 OC1CC(C1)F MCULE-7130501241 [0,0,0,0,2,0|1,0,0]=3 1595 B6R1.5 OC1CC(C1)O MCULE-4391504671 [0,0,0,0,2,0|0,0,0]=2 1596 B6R1.5 O[C@H]1C[C@@H](C1)F MCULE-8960643165 [0,0,0,0,2,0|1,0,0]=3 1597 B6R1.5 O[C@H]1C[C@@H](C1)O MCULE-5524471729 [0,0,0,0,2,0|0,0,0]=2 1598 B6R1.5 O[C@H]1C[C@H](C1)O MCULE-7725166436 [0,0,0,0,2,0|0,0,0]=2 1599 B6R1.5 [C@@H]1(C[C@@H](C1)N)N MCULE-6268630823 [0,0,0,0,2,0|2,0,0]=4 1600 B6R1.5 [C@@H]1(C[C@H](C1)F)O MCULE-5214761916 [0,0,0,0,2,0|1,0,0]=3 1601 B8R0.28 CC(O)CNCC(C)O MCULE-2715190259 [0,0,1,0,0,1|2,0,0]=4 1602 B8R0.28 CC(O)COCC(C)O MCULE-9464290948 [0,0,1,0,0,1|1,1,0]=4 1603 B10R1.79 C=C1CSCC(CSC1)O MCULE-7706787648 [0,0,0,0,0,2|1,0,1]=4 1604 B10R1.79 O[C@H]1CCC[C@H](CCC1)O MCULE-2172146338 [0,0,0,0,0,2|2,0,0]=4