0 B6R1.2 C1CNCC1F WX604452 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 C1CNCC1O WX642147 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 C1COCC1I WX630128 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 C1COCC1N WX604190 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 C1COC[C@@H]1O WX642080 [0,0,0,0,0,0|2,0,2]=4 5 B6R1.2 C1COC[C@H]1N WX604612 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 C1CSCC1O WX642050 [0,0,0,0,0,0|2,0,2]=4 7 B6R1.2 CC1CCCN1 WX604546 [0,0,0,0,0,0|2,0,1]=3 8 B6R1.2 CC1CCNC1 WX604072 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 CC1CCNC1 WX604545 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 c1coc(n1)N WX609237 [0,0,0,0,0,0|2,0,2]=4 11 B6R1.2 c1nnc(o1)N WX607009 [0,0,0,0,0,0|3,0,1]=4 12 B5R1.1 C1C=CCN1 WXC02554 [1,0,0,0,0,0|2,0,0]=3 13 B5R1.1 C1CNOC1 WX604361 [1,0,0,0,0,0|1,0,0]=2 14 B7R1.1 C1CC(NC1)CO WX640259 [0,1,0,0,0,0|1,0,2]=4 15 B7R1.1 C1CCC(C1)CN WX600042 [0,1,0,0,0,0|2,0,1]=4 16 B7R1.1 C1CCC(C1)NN WX684010 [0,1,0,0,0,0|2,0,1]=4 17 B7R1.2 C1C(=CC(=O)O1)Br WXC00644 [0,1,0,0,0,0|0,0,2]=3 18 B7R1.2 C1C(COC1=O)N WXC01359 [0,1,0,0,0,0|0,0,0]=1 19 B7R1.2 C1C[C@@H](C[C@@H]1N)O WX600013 [0,1,0,0,0,0|1,0,2]=4 20 B7R1.2 C1C[C@@H](C[C@H]1N)O WX600233 [0,1,0,0,0,0|1,0,2]=4 21 B7R1.2 C1C[C@H](C[C@@H]1N)F WX601024 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600015 [0,1,0,0,0,0|1,0,2]=4 23 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600109 [0,1,0,0,0,0|1,0,2]=4 24 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600355 [0,1,0,0,0,0|1,0,2]=4 25 B7R1.2 C1C[C@H](C[C@H]1N)F WX601025 [0,1,0,0,0,0|2,0,1]=4 26 B7R1.2 C1C[C@H](C[C@H]1N)O WX600108 [0,1,0,0,0,0|1,0,2]=4 27 B7R1.2 C1C[C@H](C[C@H]1N)O WX600234 [0,1,0,0,0,0|1,0,2]=4 28 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [0,1,0,0,0,0|1,0,0]=2 29 B7R1.2 CC1CC(=O)NC1 WXC00781 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.2 CN1CCC(C1)N WX604198 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.2 CN1CCC(C1)O WX642149 [0,1,0,0,0,0|3,0,0]=4 32 B7R1.2 C[C@@H]1C[C@@H](CN1)F WX601109 [0,1,0,0,0,0|2,0,1]=4 33 B7R1.2 C[C@@H]1C[C@@H](CN1)O WX601206 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.2 C[C@@H]1C[C@H](CN1)F WX601363 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.2 C[C@@H]1C[C@H](CN1)O WX601205 [0,1,0,0,0,0|2,0,1]=4 36 B7R1.4 C1CNC(=O)[C@@H]1N WX604202 [0,1,0,0,0,0|1,0,0]=2 37 B7R1.4 C1CNC(=O)[C@H]1O WX642165 [0,1,0,0,0,0|1,0,0]=2 38 B7R1.4 C1COC(=O)C1N WXC03217 [0,1,0,0,0,0|0,0,0]=1 39 B7R1.4 C1C[C@H]([C@@H](C1)O)N WX604346 [0,1,0,0,0,0|1,0,2]=4 40 B7R1.4 C[C@@H]1[C@@H](CCO1)N WX601243 [0,1,0,0,0,0|1,0,1]=3 41 B7R1.4 C[C@H]1CCC[C@@H]1O WX641033 [0,1,0,0,0,0|1,0,2]=4 42 B7R1.4 C[C@H]1CCC[C@H]1N WX601120 [0,1,0,0,0,0|2,0,1]=4 43 B7R1.4 C[C@H]1CCC[C@H]1O WX641034 [0,1,0,0,0,0|1,0,2]=4 44 B7R1.14 C1CNS(=O)(=O)C1 WX682943 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.14 CC1(CCCN1)C WX601048 [0,1,0,0,0,0|2,0,1]=4 46 B7R1.14 CC1(CCCN1)C WX604492 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 C(CF)C(=O)O WX610266 [0,0,1,0,0,0|1,0,0]=2 48 B5R0.1 CC(=O)CNC WX600212 [0,0,1,0,0,0|2,0,0]=3 49 B5R0.1 CC(=O)\C=N\O WX690228 [0,0,1,0,0,0|3,0,0]=4 50 B5R0.1 CCCC(=N)N WX619909 [0,0,1,0,0,0|2,0,0]=3 51 B5R0.2 C#CCCCN WX600312 [0,0,1,0,0,0|2,0,1]=4 52 B5R0.2 C(CN)CNN WX684011 [0,0,1,0,0,0|3,0,0]=4 53 B5R0.2 C(CNN)CO WX684063 [0,0,1,0,0,0|2,0,0]=3 54 B5R0.2 CCO\C=C/Br WX630081 [0,0,1,0,0,0|3,0,0]=4 55 B5R0.3 C(C(=O)NN)O WX684421 [0,0,1,0,0,0|3,0,0]=4 56 B5R1.2 C1C(=O)CN1 WXC03556 [0,0,0,0,1,0|1,0,0]=2 57 B5R1.2 C1C(=O)CO1 WX625042 [0,0,0,0,1,0|1,0,0]=2 58 B5R1.2 C1C(CN1)F WX604199 [0,0,0,0,1,0|2,0,1]=4 59 B5R1.2 C1C(CN1)O WX604205 [0,0,0,0,1,0|1,0,2]=4 60 B5R1.2 C1C(CO1)N WX604200 [0,0,0,0,1,0|2,0,1]=4 61 B5R1.2 C1CC(C1)O WX642079 [0,0,0,0,1,0|0,0,2]=3 62 B5R1.2 CC1CCN1 WX604557 [0,0,0,0,1,0|2,0,1]=4 63 B5R1.2 CC1CNC1 WX604558 [0,0,0,0,1,0|2,0,1]=4 64 B7R1.3 C1CC(=O)COC1 WX625057 [0,0,0,0,0,1|0,0,0]=1 65 B7R1.3 C1CC(COC1)O WX642095 [0,0,0,0,0,1|0,0,2]=3 66 B7R1.3 C1CCC(CC1)N WX604566 [0,0,0,0,0,1|2,0,1]=4 67 B7R1.3 C1CNC(=O)CN1 WX604543 [0,0,0,0,0,1|1,0,0]=2 68 B7R1.3 C1CNCCC1=O WX604552 [0,0,0,0,0,1|1,0,0]=2 69 B7R1.3 C1COC(=O)C=C1 WX685450 [0,0,0,0,0,1|0,0,1]=2 70 B7R1.3 C1COCCC1I WXC01153 [0,0,0,0,0,1|2,0,1]=4 71 B7R1.3 C1COCCC1N WX604186 [0,0,0,0,0,1|2,0,1]=4 72 B7R1.3 C1CSCCC1O WXC04166 [0,0,0,0,0,1|1,0,2]=4 73 B7R1.3 C1C[C@H](CNC1)O WX604192 [0,0,0,0,0,1|1,0,2]=4 74 B7R1.3 CC1CNCCO1 WX604548 [0,0,0,0,0,1|1,0,1]=3 75 B7R1.3 CC1COCCN1 WX604493 [0,0,0,0,0,1|2,0,1]=4 76 B7R1.3 C[C@@H]1COCCN1 WX604100 [0,0,0,0,0,1|2,0,1]=4 77 B7R1.3 C[C@H]1COCCN1 WX604204 [0,0,0,0,0,1|2,0,1]=4 78 B4R0.1 CCC(=N)N WX619910 [1,0,1,0,0,0|2,0,0]=4 79 B6R0.1 CCNC(=O)CCl WX630212 [0,1,1,0,0,0|1,0,0]=3 80 B6R0.1 CNCC(=O)NC WX600331 [0,1,1,0,0,0|2,0,0]=4 81 B6R0.2 C[C@@H](CC(=O)O)N WX665057 [0,1,1,0,0,0|0,0,0]=2 82 B6R0.2 C\C(=C\C(=O)O)\I WXC02281 [0,1,1,0,0,0|0,0,2]=4 83 B6R0.3 C([C@H](C(=O)N)N)O WX665005 [0,1,1,0,0,0|2,0,0]=4 84 B6R0.3 CNC(=O)C(=O)O WXC01945 [0,1,1,0,0,0|1,0,1]=4 85 B6R0.4 CC(=C)CCCBr WX630324 [0,1,1,0,0,0|2,0,0]=4 86 B6R0.4 CC(=C)CCCO WX640339 [0,1,1,0,0,0|2,0,0]=4 87 B6R1.5 C1C(CC1F)N WX600329 [0,1,0,0,1,0|1,0,1]=4 88 B6R1.5 C1C(CC1O)N WX600008 [0,1,0,0,1,0|0,0,2]=4 89 B6R1.5 CC1CC(C1)N WX600002 [0,1,0,0,1,0|1,0,1]=4 90 B6R1.5 CN1CC(C1)O WX642063 [0,1,0,0,1,0|2,0,0]=4 91 B6R1.5 CN1CC(C1)O WX642150 [0,1,0,0,1,0|2,0,0]=4 92 B6R1.6 C1CC(C1)CN WX600100 [0,1,0,0,1,0|1,0,1]=4 93 B6R1.10 CC1(CCC1)N WXC00635 [0,1,0,0,1,0|1,0,1]=4 94 B8R1.2 C1COC(CN1)CO WX604263 [0,1,0,0,0,1|0,0,2]=4 95 B8R1.2 C1COCC(=C1)C=O WX622013 [0,1,0,0,0,1|0,0,1]=3 96 B8R1.2 C1COCCC1C=O WX620011 [0,1,0,0,0,1|1,0,1]=4 97 B8R1.4 CC1CC(=O)CCN1 WX604553 [0,1,0,0,0,1|1,0,0]=3 98 B8R1.4 CC1CNCC(=O)N1 WX604173 [0,1,0,0,0,1|1,0,0]=3 99 B8R1.4 C[C@@H]1CNC[C@H](O1)C WXC01422 [0,1,0,0,0,1|1,0,1]=4 100 B8R1.5 C1COCC(C1=O)F WX630310 [0,1,0,0,0,1|1,0,0]=3 101 B8R1.5 C1COC[C@H]([C@@H]1O)N WX601403 [0,1,0,0,0,1|1,0,1]=4 102 B8R1.5 CC1CNCCC1=O WX604251 [0,1,0,0,0,1|1,0,0]=3 103 B8R1.5 CC1CNCCC1=O WX604554 [0,1,0,0,0,1|1,0,0]=3 104 B8R1.5 CN1CCNCC1=O WX604203 [0,1,0,0,0,1|1,0,0]=3 105 B8R1.72 C1CCS(=O)(=O)NC1 WX682914 [0,1,0,0,0,1|2,0,0]=4 106 B8R1.1 C1C(COC1=O)CO WX640247 [0,2,0,0,0,0|0,0,0]=2 107 B8R1.1 C1CC(=O)CC1C#N WX683083 [0,2,0,0,0,0|1,0,0]=3 108 B8R1.1 C1CC(=O)O[C@H]1CO WX640049 [0,2,0,0,0,0|0,0,0]=2 109 B8R1.1 CCC1COC(=O)N1 WX619211 [0,2,0,0,0,0|1,0,0]=3 110 B8R1.1 C[C@H]1CC[C@H](O1)CO WX641069 [0,2,0,0,0,0|0,0,2]=4 111 B8R1.7 C1CC(OC1)C(=S)N WX619952 [0,2,0,0,0,0|0,1,1]=4 112 B8R1.7 C1CC(SC1)C(=O)O WX610408 [0,2,0,0,0,0|0,1,1]=4 113 B8R1.11 C[C@@H]1[C@@H](CCO1)CN WX601242 [0,2,0,0,0,0|1,0,1]=4 114 B8R1.11 C[C@@H]1[C@@H](CCO1)CO WX641071 [0,2,0,0,0,0|1,0,1]=4 115 B8R1.50 C1C(=C(C(=O)O1)Br)Br WXC00617 [0,2,0,0,0,0|0,0,2]=4 116 B8R1.50 C1CC(=O)C(C1=O)Br WXC04141 [0,2,0,0,0,0|1,0,1]=4 117 B8R1.50 CC1=C(COC1=O)O WX685432 [0,2,0,0,0,0|0,0,2]=4 118 B8R1.51 C1CS(=O)(=O)CC1=O WX625144 [0,2,0,0,0,0|2,0,0]=4 119 B8R1.51 C1CS(=O)(=O)CC1N WX601054 [0,2,0,0,0,0|2,0,0]=4 120 B8R1.19 CC1(CCNC1=O)C WXC04335 [0,2,0,0,0,0|1,0,0]=3 121 B8R1.19 CC1(CCNC1=S)C WXC04336 [0,2,0,0,0,0|1,1,0]=4 122 B6R1.11 B(C1CC1)(O)O WX658003 [0,0,1,1,0,0|1,0,1]=4 123 B6R1.11 C1CC1C(=N)N WX619908 [0,0,1,1,0,0|2,0,0]=4 124 B6R1.11 C1CC1C(=N)N WX684410 [0,0,1,1,0,0|2,0,0]=4 125 B6R1.11 CC(C1CC1)O WX642143 [0,0,1,1,0,0|1,0,1]=4 126 B6R1.1 C1CCONC1 WX604297 [0,0,1,1,0,0|1,0,1]=4 127 B8R2.18 C1[C@H]2[C@@H]1CC(=O)C2 WXC00264 [0,0,0,1,0,1|1,0,0]=3 128 B8R2.23 C1C2CNCC1O2 WX604760 [0,0,0,1,0,1|1,0,1]=4 129 B4R1.1 C1CNC1 WX604260 [1,0,0,0,1,0|1,0,0]=3 130 B4R1.2 C1CC1N WX604562 [0,0,0,0,2,0|1,0,1]=4 131 B8R1.22 C1CC(=O)CCOC1 WXC02242 [0,0,0,0,0,2|0,0,0]=2 132 B8R1.22 C1CNC(=O)COC1 WX619937 [0,0,0,0,0,2|0,0,0]=2 133 B8R1.22 C1CNCC(=O)NC1 WX604239 [0,0,0,0,0,2|1,0,0]=3 134 B8R1.22 C1COCC(CN1)O WX601456 [0,0,0,0,0,2|0,0,2]=4 135 B8R1.22 CC1CNCCCO1 WX604057 [0,0,0,0,0,2|1,0,1]=4 136 B8R1.22 CC1CNCCOC1 WX601458 [0,0,0,0,0,2|1,0,1]=4