0 B6R0.6 CCCNCCC AB02251 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C(\C=C\Cl)ON AB44940 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.1 CNCCCCC=C CB11323 [0,1,0,0,0,0|1,0,2]=4 3 B7R0.3 COC(=O)CCC=C AB16906 [0,1,0,0,0,0|2,0,1]=4 4 B7R0.4 B(C\C=C\CN)(O)O AB62237 [0,1,0,0,0,0|2,0,1]=4 5 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [0,1,0,0,0,0|3,0,0]=4 6 B7R1.1 C1=NC=NC1C=O PB14141 [0,0,0,1,0,0|2,0,1]=4 7 B7R1.1 C1=NN=CC1C=O PB14282 [0,0,0,1,0,0|2,0,1]=4 8 B7R1.1 C1=NN=NC1C=O AB28395 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.1 C1C=C(C=N1)C=O AB15013 [0,0,0,1,0,0|1,0,2]=4 10 B7R1.1 C1C=C(N=N1)CCl AB44943 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.1 C1C=C(N=N1)CN AB59768 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.1 C1C=C(N=N1)CN CB11648 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.1 C1C=C(N=N1)CN PB34098 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.1 C1C=C(N=N1)CO CB12075 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.1 C1C=C(N=N1)CO PB23601 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.1 C1C=CCC1C=O AB76805 [0,0,0,1,0,0|0,0,2]=3 17 B7R1.1 C1C=CN=C1C=O AB00388 [0,0,0,1,0,0|1,0,2]=4 18 B7R1.1 C1C=NC(=N1)CN PB21839 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.1 C1C=NC(=N1)CO AB23143 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.1 C1CC=C(C1)CBr PB30182 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.1 C1CCC(C1)C=O AB02400 [0,0,0,1,0,0|0,0,2]=3 22 B7R1.1 CCC1=CN=CC1 AB31265 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.1 CCC1=NN=CC1 AB65715 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.1 CCn1cncn1 AB31524 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.1 c1c(nco1)CCl AB71585 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.1 c1c(nco1)CN PB29323 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.1 c1c(nco1)CO PB29559 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.1 c1c(ncs1)CCl AB10919 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.1 c1c(ncs1)CN AB27866 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.1 c1c(ncs1)CN PB21996 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.1 c1c(ncs1)CO AB20478 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.1 c1c(ocn1)CCl AB42450 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.1 c1c(ocn1)CN AB30442 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.1 c1c(ocn1)CO PB32681 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.1 c1c(scn1)CCl AB64977 [0,0,0,1,0,0|2,1,0]=4 36 B7R1.1 c1c(scn1)CN AB27929 [0,0,0,1,0,0|2,1,0]=4 37 B7R1.1 c1c(scn1)CN PB32316 [0,0,0,1,0,0|2,1,0]=4 38 B7R1.1 c1c(scn1)CO AB20492 [0,0,0,1,0,0|2,1,0]=4 39 B7R1.1 c1cc(oc1)CCl MB06568 [0,0,0,1,0,0|1,0,2]=4 40 B7R1.1 c1cc(sc1)CN PB17027 [0,0,0,1,0,0|1,1,1]=4 41 B7R1.1 c1cc(sc1)CO PB10001 [0,0,0,1,0,0|1,1,1]=4 42 B7R1.1 c1cn(nn1)C=O MB06576 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.1 c1cnsc1C=O AB32448 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.1 c1conc1C=O PB26237 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.1 c1cscc1C=O PB14065 [0,0,0,1,0,0|1,0,2]=4 46 B7R1.1 c1cscc1CN AB13999 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.1 c1cscc1CN PB12237 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.1 c1cscc1CO PB10036 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,0,1,0,0|1,0,1]=3 50 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,0,1,0,0|1,0,1]=3 51 B7R1.3 C1CC(=O)COC1 PB27461 [0,0,0,1,0,0|1,0,1]=3 52 B7R1.3 C1CC(=O)CSC1 PB28980 [0,0,0,1,0,0|1,0,1]=3 53 B7R1.3 C1CNC(=O)CN1 PB23229 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.3 C1CNCCC1=O PB32095 [0,0,0,1,0,0|1,0,1]=3 55 B7R1.3 C1COC(=O)CN1 AB71646 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.3 C1COCC(=O)N1 PB29100 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.3 C1COCCC1=O PB24536 [0,0,0,1,0,0|1,0,1]=3 58 B7R1.3 C1CSCCC1=O PB25896 [0,0,0,1,0,0|1,0,1]=3 59 B7R1.3 Cc1ccncn1 PB17038 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.4 CC1=C(C=NC1)C PB27606 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.4 CC1C(=NC=N1)C AB09621 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.4 Cc1ccsc1Br PB25943 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.4 Cn1ccnc1Br AB11315 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.4 Cn1ccnc1Cl AB11324 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.4 Cn1ccnc1I PB32223 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.4 Cn1ccnc1N AB59774 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.6 C1C(CO1)CC=O PB14037 [0,0,0,1,0,0|1,0,2]=4 68 B7R1.6 C1CC(C1)CC=O AB49507 [0,0,0,1,0,0|0,0,2]=3 69 B7R1.6 COC=C1COC1 AB76192 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.8 C1CC(=O)C1CO PB37542 [0,0,0,1,0,0|1,0,2]=4 71 B4R0.2 C=CCCBr AB00123 [2,0,0,0,0,0|1,0,1]=4 72 B4R0.2 C=CCCN AB14698 [2,0,0,0,0,0|1,0,1]=4 73 B4R0.2 C=CCCO AB00288 [2,0,0,0,0,0|0,0,2]=4 74 B6R0.1 CCNC(=O)C=C CB10170 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.1 CCOC(=N)CCl AB60917 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.1 CCOC(=N)CO AB60920 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.1 COC(=O)\C=C\N AB31601 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.4 CC(=O)\C=C\OC AB00959 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.1 CCOC(=O)CN=C=O AB00195 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,2,0,0,0,0|0,0,2]=4 81 B8R0.5 CCOC(=O)CC(=N)N AB29705 [0,2,0,0,0,0|2,0,0]=4 82 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,2,0,0,0,0|1,0,0]=3 83 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [0,2,0,0,0,0|1,0,0]=3 84 B6R1.1 C1CNCC=C1 PB15670 [1,0,0,1,0,0|1,0,0]=3 85 B6R1.2 C1=NC(=O)N=C1 AB01798 [1,0,0,1,0,0|2,0,0]=4 86 B6R1.2 C1C=CCC1N CB10532 [1,0,0,1,0,0|1,0,1]=4 87 B6R1.2 C1CNCC1=O PB21807 [1,0,0,1,0,0|1,0,0]=3 88 B6R1.2 C1COCC1=O PB17440 [1,0,0,1,0,0|1,0,0]=3 89 B6R1.2 C1CONC1=O MB10654 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,1,0,0|0,0,2]=4 91 B6R1.2 CC1=CN=CC1 PB12076 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.2 CC1=NC=CC1 AB12705 [1,0,0,1,0,0|2,0,0]=4 93 B6R1.2 Cc1cocn1 AB63545 [1,0,0,1,0,0|2,0,0]=4 94 B6R1.2 Cn1cccn1 PB33818 [1,0,0,1,0,0|2,0,0]=4 95 B6R1.3 C1CC1CC=O AB51242 [1,0,0,1,0,0|0,0,1]=3 96 B6R1.3 C1CC1\C=C\Br AB76480 [1,0,0,1,0,0|1,0,1]=4 97 B6R1.6 C1C(CO1)C=O AB76630 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.2 C1CC(COC1)C=O AB16155 [0,1,0,1,0,0|0,0,2]=4 99 B8R1.2 C1CC(OC=C1)C=O PB24581 [0,1,0,1,0,0|0,0,0]=2 100 B8R1.2 C1CCNC(C1)C=O AB52540 [0,1,0,1,0,0|0,0,2]=4 101 B8R1.2 C1CCOC(C1)C=O MB05934 [0,1,0,1,0,0|0,0,2]=4 102 B8R1.2 C1CNCCC1C=O AB52543 [0,1,0,1,0,0|0,0,2]=4 103 B8R1.2 C1COCCC1C=O AB14645 [0,1,0,1,0,0|0,0,2]=4 104 B8R1.2 C1CSCCC1C=O AB14650 [0,1,0,1,0,0|0,0,2]=4 105 B8R1.5 C1=NC(C(=O)N=C1)N AB51505 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,1,0,1,0,0|0,0,2]=4 107 B8R1.5 C1CNCC(C1=O)F PB20587 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.5 C1COCC(C1=O)Br PB18064 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.5 C1COCC(C1=O)F PB28362 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.5 CC1C=CN=NC1=O PB32620 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.5 CC1CCNCC1=O PB36769 [0,1,0,1,0,0|0,0,2]=4 114 B8R1.5 CC1CNCCC1=O PB23474 [0,1,0,1,0,0|0,0,2]=4 115 B8R1.5 CC1COCCC1=O PB26907 [0,1,0,1,0,0|0,0,2]=4 116 B8R1.5 CN1CCNCC1=O PB24934 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.8 C1C=C(N=N1)CCN AB60568 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.8 C1C=NC(=N1)CC=O AB45831 [0,1,0,1,0,0|1,0,0]=3 121 B8R1.8 C1C=NC(=N1)CCN AB11463 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.8 C1CC(OC1)CC=O AB76318 [0,1,0,1,0,0|0,0,2]=4 123 B8R1.8 C1COCC1CC=O AB75447 [0,1,0,1,0,0|0,0,2]=4 124 B8R1.8 CNCc1cccs1 AB13997 [0,1,0,1,0,0|0,1,1]=4 125 B8R1.8 CNCc1cncs1 AB27956 [0,1,0,1,0,0|1,1,0]=4 126 B8R1.8 CNCc1cocn1 AB63386 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.8 CNCc1cscn1 AB27945 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.8 CNCc1cscn1 AB27947 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.8 c1c(ncs1)CCN AB45423 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.8 c1cc(sc1)CCN PB12982 [0,1,0,1,0,0|0,1,1]=4 131 B8R1.8 c1cc(sc1)CCO PB32074 [0,1,0,1,0,0|0,1,1]=4 132 B8R1.8 c1coc(n1)CC=O AB57661 [0,1,0,1,0,0|1,0,1]=4 133 B8R1.8 c1csc(n1)CC=O AB57662 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.8 c1cscc1CCN PB24618 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.8 c1cscc1CCO PB25903 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.11 C1C=C(C(=N1)C=O)Br PB29916 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.11 C1C=C(C(=N1)C=O)Cl PB23804 [0,1,0,1,0,0|1,0,1]=4 138 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,1,0,1,0,0|1,0,0]=3 139 B8R1.11 CC1=C(N=CC1)C=O AB01496 [0,1,0,1,0,0|1,0,1]=4 140 B8R1.11 CC1=NN=CC1C=O PB32235 [0,1,0,1,0,0|1,0,1]=4 141 B8R1.11 Cc1c(ccs1)C=O AB53893 [0,1,0,1,0,0|0,0,2]=4 142 B8R1.11 Cn1c(ccn1)C=O PB21218 [0,1,0,1,0,0|1,0,1]=4 143 B8R1.11 Cn1ccnc1C=O PB12922 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.11 Cn1cncc1C=O PB21631 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,1,0,1,0,0|0,0,2]=4 146 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,1,0,1,0,0|0,0,2]=4 147 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,1,0,1,0,0|1,0,1]=4 148 B8R1.22 C1CNCCNC1=O AB07054 [0,1,0,1,0,0|1,0,1]=4 149 B8R1.1 C1=C(N=NC1C=O)Br AB60563 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.1 C1=C(N=NC1C=O)N AB69209 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.1 CCc1cnc(o1)N AB64704 [0,1,0,1,0,0|1,0,1]=4 152 B8R1.1 Cc1ccc(s1)C=O AB00417 [0,1,0,1,0,0|0,0,2]=4 153 B8R1.1 Cn1ccc(n1)C=O AB14508 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.3 C1CC(=O)CCC1N AB26267 [0,1,0,1,0,0|0,0,2]=4 155 B8R1.3 CN1CCC(=CC1)I AB70135 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.50 CN1C(=O)CNC1=O AB65979 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.4 C1C(=CC=NC1=O)Br PB17828 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.4 C1C(=CN=NC1=O)I PB18920 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.4 C1C(=CN=NC1=O)N PB19162 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.4 C1C(=O)COCC1=O PB14653 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.4 C1C(=O)CSCC1=O PB15832 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [0,1,0,1,0,0|0,0,2]=4 163 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.4 C1CNC(=O)OC1=O AB27597 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,1,0,1,0,0|1,0,1]=4 169 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,1,0,0|1,0,1]=4 172 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,1,0,1,0,0|1,0,1]=4 173 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.7 C1C=CCC1C(=O)O PB14124 [0,1,0,1,0,0|0,0,2]=4 175 B8R1.7 C1CCC(C1)C(=O)O AB00138 [0,1,0,1,0,0|0,0,2]=4 176 B8R1.7 C1CNCC1C(=O)N PB11736 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.7 C1CNCC1C(=O)N PB32691 [0,1,0,1,0,0|1,0,1]=4 178 B8R1.7 C1CNCC1C(=O)O PB19915 [0,1,0,1,0,0|1,0,1]=4 179 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [0,1,0,1,0,0|1,0,1]=4 181 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [0,1,0,1,0,0|1,0,1]=4 183 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.7 C1COC=C1C(=O)O PB26262 [0,1,0,1,0,0|1,0,1]=4 185 B8R1.7 C1COCC1C(=O)N PB20686 [0,1,0,1,0,0|1,0,1]=4 186 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [0,1,0,1,0,0|1,0,1]=4 187 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [0,1,0,1,0,0|1,0,1]=4 188 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [0,1,0,1,0,0|1,0,1]=4 189 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [0,1,0,1,0,0|1,0,1]=4 190 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [0,1,0,1,0,0|1,0,1]=4 191 B8R1.7 CC(c1ccoc1)N AB27902 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.7 CC(c1ccoc1)N AB66830 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.7 CC(c1cscn1)N AB27900 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.18 CC1C(=O)NC(=O)O1 AB26261 [0,1,0,1,0,0|2,0,0]=4