0 B6R0.2 B(CC(C)C)(O)O AB03722 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(=O)NC(=N)N AB02893 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.2 CC(C)CC(=N)N AB60903 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.2 CC(C)CC(=S)N AB52630 [0,0,0,0,0,0|1,1,0]=2 4 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 C#CCC(=O)O AB11673 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 C(CCl)C(=N)N AB30465 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 C(CO)C(=N)N AB48909 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 CC#CN(C)C AB76935 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CC(C)N=C=O AB00193 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.2 CCC(CC(=O)O)N AB01525 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.9 CC(C)(C)OC(=O)N PB11584 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.9 CC(C)CS(=O)(=O)Cl AB32247 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.16 C(C(=N)N)(C(=O)N)N AB53459 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.2 C1C(=CC(=O)N1)Br CB11702 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.2 C1C(CNC1=O)N PB17844 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.2 CC1=NC(=NC1)N AB27175 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.2 CC1=NC(=NC1)N AB27178 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.2 CC1=NN=C(C1)N PB33812 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.2 CN1CCC(=O)C1 PB26542 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.2 CN1CCC(C1)Br AB65769 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.2 CN1CCC(C1)N PB22385 [0,0,0,1,0,0|1,0,1]=3 28 B7R1.2 CN1CCC(C1)O PB32059 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.2 CN1CC[C@@H](C1)N PB14641 [0,0,0,1,0,0|1,0,1]=3 30 B7R1.2 CN1CC[C@H](C1)N PB34450 [0,0,0,1,0,0|1,0,1]=3 31 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,0,0,1,0,0|1,0,2]=4 32 B7R1.2 Cn1cc(cn1)N PB29344 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.2 Cn1cc(nc1)N AB11896 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.2 Cn1ccc(n1)N PB12171 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.20 C1CC1CC(=N)N AB49225 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.20 C1CC1CC(=O)O PB21648 [0,0,0,1,0,0|2,0,0]=3 39 B5R0.5 CC(C(=O)N)N AB43014 [0,0,0,0,1,0|2,0,0]=3 40 B5R0.5 CC(C)C(=N)N AB07702 [0,0,0,0,1,0|2,0,0]=3 41 B5R0.5 CC(C)C(=S)N AB32169 [0,0,0,0,1,0|1,1,0]=3 42 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [0,0,0,0,1,0|3,0,0]=4 43 B5R0.5 C[C@@H](C(=O)O)N AB02601 [0,0,0,0,1,0|3,0,0]=4 44 B7R0.6 CC(=O)CNC(=O)C AB02398 [0,0,0,0,0,1|3,0,0]=4 45 B7R0.6 CC(=O)NCC(=O)O AB00351 [0,0,0,0,0,1|3,0,0]=4 46 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [0,0,0,0,0,1|1,0,1]=3 47 B7R0.6 CN(C)\C=C\[N+](=O)[O-] AB02125 [0,0,0,0,0,1|2,0,1]=4 48 B4R0.1 C#CC(=O)N MB03070 [2,0,0,0,0,0|0,0,2]=4 49 B4R0.1 C(C(=N)N)Cl AB02229 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.1 C(C(=N)N)O AB12726 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.1 C(C(=N)N)O AB21804 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.1 CC(=O)C=O AB00820 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.1 CC(=O)NN AB00888 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 CC(=O)NO AB01014 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 CCC(=N)N AB07703 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.1 CCCC(=N)NN AB56218 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.1 CNC(=O)CC#N AB03253 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.3 CCC(C(=O)O)N AB00928 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.4 CN(C)CCCBr AB52731 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.7 CC(C)(C(=O)N)Br MB05789 [0,1,0,0,1,0|1,0,0]=3 61 B6R0.7 CC(C)(C(=O)O)N AB00918 [0,1,0,0,1,0|2,0,0]=4 62 B6R0.7 CC(C)(C)C(=N)N AB02164 [0,1,0,0,1,0|2,0,0]=4 63 B6R0.7 CC(C)(C)S(=O)N PB24744 [0,1,0,0,1,0|2,0,0]=4 64 B8R0.29 CN(C)CCS(=O)(=O)Cl AB69796 [0,1,0,0,0,1|2,0,0]=4 65 B8R0.29 CN(C)CCS(=O)(=O)O AB76836 [0,1,0,0,0,1|2,0,0]=4 66 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,2,0,0,0,0|2,0,0]=4 67 B8R0.24 CC(C)(C)OC(=O)NN PB18405 [0,2,0,0,0,0|2,0,0]=4 68 B8R0.24 CC(C)(C)OC(=O)NO AB00205 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.27 CC(C)(C)C(C(=O)O)N AB02673 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N AB02564 [0,2,0,0,0,0|2,0,0]=4 71 B8R0.27 CC(C)(C)[C@H](C(=O)O)N AB00342 [0,2,0,0,0,0|2,0,0]=4 72 B8R0.18 CC(C)C(CN)C(=O)O AB35707 [0,2,0,0,0,0|2,0,0]=4 73 B8R0.18 CC(C)[C@@H](CN)C(=O)O AB35710 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.18 CC(C)[C@H](CN)C(=O)O AB35713 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.37 CC(C)[C@@](C)(C(=O)O)N AB08744 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.37 CC(C)[C@](C)(C(=O)O)N AB08748 [0,2,0,0,0,0|2,0,0]=4 77 B6R1.2 C1CNCC1=O PB21807 [1,0,0,1,0,0|1,0,0]=3 78 B6R1.2 C1CNC[C@@H]1N AB02820 [1,0,0,1,0,0|1,0,1]=4 79 B6R1.2 C1CNC[C@H]1N AB02823 [1,0,0,1,0,0|1,0,1]=4 80 B6R1.2 C1COCC1=O PB17440 [1,0,0,1,0,0|2,0,0]=4 81 B6R1.2 C1CONC1=O MB10654 [1,0,0,1,0,0|2,0,0]=4 82 B6R1.2 CC1CCNC1 AB41901 [1,0,0,1,0,0|1,0,1]=4 83 B6R1.2 C[C@@H]1CCNC1 AB29518 [1,0,0,1,0,0|1,0,1]=4 84 B6R1.2 C[C@H]1CCNC1 AB29522 [1,0,0,1,0,0|1,0,1]=4 85 B6R1.3 C1CC1CC=O AB51242 [1,0,0,1,0,0|1,0,0]=3 86 B6R1.3 C1CC1CCN AB23437 [1,0,0,1,0,0|1,0,1]=4 87 B6R1.3 C1CC1CCN PB11093 [1,0,0,1,0,0|1,0,1]=4 88 B6R1.3 C1CC1CNN PB30981 [1,0,0,1,0,0|2,0,0]=4 89 B6R1.3 C1CC1CON AB21122 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.5 C1C(CC1=O)Br PB30412 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.5 C1C(CC1=O)F PB36975 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.5 C1C(CC1=O)N PB20766 [1,0,0,1,0,0|2,0,0]=4 93 B6R1.5 CN1CC(C1)N PB23920 [1,0,0,1,0,0|0,0,1]=3 94 B6R1.5 CN1CC(C1)O PB30133 [1,0,0,1,0,0|0,0,2]=4 95 B6R1.10 CC1(CNC1)N PB18986 [1,0,0,1,0,0|1,0,1]=4 96 B6R1.11 C1CC1C(=S)N AB50595 [1,0,0,1,0,0|1,1,0]=4 97 B8R1.3 C1CC(=O)NCC1N PB22229 [0,0,0,1,0,1|2,0,0]=4 98 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,0,0,1,0,1|1,0,0]=3 99 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,0,0,1,0,1|1,0,0]=3 100 B8R1.3 CN1CCC(=CC1)I AB70135 [0,0,0,1,0,1|2,0,0]=4 101 B8R1.3 CN1CCC(CC1)N PB32253 [0,0,0,1,0,1|1,0,1]=4 102 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,0,0,1,0,1|1,0,0]=3 103 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,0,0,1,0,1|1,0,0]=3 104 B8R1.23 CC1CC(C1)C(=O)O PB21154 [0,0,0,1,0,1|2,0,0]=4 105 B8R1.23 CN1CC(C1)C(=O)O PB25405 [0,0,0,1,0,1|1,0,0]=3 106 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [0,0,0,1,0,1|2,0,0]=4 107 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [0,0,0,1,0,1|2,0,0]=4 108 B8R1.51 CC1(COC(=O)N1)C PB29297 [0,0,0,1,0,1|1,0,0]=3 109 B8R1.77 CC1(CC1C(=O)O)C AB21127 [0,0,0,1,0,1|2,0,0]=4 110 B8R1.1 C1C(CNC1=O)CN PB10686 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.1 C1C(CNC1=O)CO PB26709 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.1 CN1CCC(C1)CN PB23433 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.1 CN1CC[C@@H](C1)CN PB35492 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.1 CN1CC[C@H](C1)CN PB36038 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.1 COC1=CC(=O)NC1 AB02829 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.4 C1CNC(=O)CC1N PB11631 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.4 CN1CCCC(C1)N PB12415 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.4 CN1CCC[C@@H](C1)N PB25450 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.4 CN1CCC[C@@H](C1)N PB28836 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.4 CN1CCC[C@H](C1)N PB33333 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.18 CN1CC(CC1=O)N PB22380 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.31 C1CN(C1C(=O)O)N MB69364 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.34 C1C(CN1)CC(=O)O PB17729 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.34 C1C(CO1)CC(=O)O PB15407 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.34 CN(C)CC1CNC1 PB11706 [0,1,0,1,0,0|1,0,1]=4 140 B8R1.40 COC(=O)CC1CC1 PB20704 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.54 C1CC1C(C(=O)O)N CB11349 [0,1,0,1,0,0|2,0,0]=4 142 B8R2.66 C1C2C1(C2)C(=O)O PB24438 [0,0,0,2,0,0|2,0,0]=4 143 B8R0.28 CC(=NOCC(=O)O)C AB13789 [0,0,0,0,0,2|2,0,0]=4