0 B5R0.2 C(CBr)N=C=O AB04619 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C(CC#N)CN AB52761 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C(CCl)N=C=O AB00198 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C(\C=C\Cl)ON AB44940 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 COCCON MB08235 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C#CCCN AB55798 [1,0,0,0,0,0|1,0,2]=4 6 B4R0.2 C(CN)CCl AB06220 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.2 C=CCCBr AB00123 [1,0,0,0,0,0|1,0,0]=2 8 B4R0.2 C=CCCN AB14698 [1,0,0,0,0,0|1,0,0]=2 9 B4R0.2 C=CCCO AB00288 [1,0,0,0,0,0|0,0,1]=2 10 B6R0.4 C#CCCC(=O)O CB10019 [0,1,0,0,0,0|0,0,2]=3 11 B6R0.4 C=C(CCCCl)I MB13670 [0,1,0,0,0,0|1,0,1]=3 12 B6R0.6 C(CN=C=O)C#N AB74244 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.6 COCCN=C=O AB50988 [0,1,0,0,0,0|1,0,2]=4 14 B6R1.1 C1CNCC=C1 PB15670 [0,0,0,1,0,0|2,0,0]=3 15 B6R1.2 C1=NC(=O)N=C1 AB01798 [0,0,0,1,0,0|2,0,1]=4 16 B6R1.2 C1C=C(CO1)I AB84905 [0,0,0,1,0,0|2,0,1]=4 17 B6R1.2 C1C=NC(=N1)Br AB11316 [0,0,0,1,0,0|3,0,0]=4 18 B6R1.2 C1C=NC(=N1)Cl AB11323 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.2 C1C=NC(=N1)I AB04195 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.2 C1C=NC(=N1)N AB07116 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.2 C1C=NC(=N1)N AB29274 [0,0,0,1,0,0|3,0,0]=4 22 B6R1.2 C1C=NC(=N1)O AB52896 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.2 C1C=NC(=N1)S AB00386 [0,0,0,1,0,0|2,1,0]=4 24 B6R1.2 C1CNCC1=O PB21807 [0,0,0,1,0,0|1,0,1]=3 25 B6R1.2 C1COCC1=O PB17440 [0,0,0,1,0,0|1,0,1]=3 26 B6R1.2 C1CONC1=O MB10654 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,1,0,0|2,0,1]=4 28 B6R1.2 CC1=CN=CC1 PB12076 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 CC1=CN=NC1 AB00390 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.2 CC1=NC=CC1 AB12705 [0,0,0,1,0,0|1,0,2]=4 31 B6R1.2 Cc1ccon1 AB01288 [0,0,0,1,0,0|3,0,0]=4 32 B6R1.2 c1cc(oc1)Br AB04890 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.2 c1cc(sc1)N AB08372 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.2 c1cnoc1N MB00706 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.2 c1conc1N PB33787 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.2 c1conc1O MB20248 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.2 c1cscc1N MB09694 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.2 c1cscc1N PB23357 [0,0,0,1,0,0|2,0,1]=4 39 B6R1.3 C1CC1CC=O AB51242 [0,0,0,1,0,0|0,0,2]=3 40 B6R1.6 C1C(CO1)C=O AB76630 [0,0,0,1,0,0|1,0,1]=3 41 B3R0.1 C(=O)NN AB00881 [2,0,0,0,0,0|2,0,0]=4 42 B3R0.1 C(CCl)N AB03778 [2,0,0,0,0,0|2,0,0]=4 43 B3R0.1 C\C=C/I AB73504 [2,0,0,0,0,0|1,0,1]=4 44 B3R0.1 C\C=C\Br AB00109 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 C#CCC(=O)O AB11673 [1,1,0,0,0,0|0,0,2]=4 46 B5R0.1 C(CCl)C(=N)N AB30465 [1,1,0,0,0,0|2,0,0]=4 47 B5R0.1 C(CO)C(=N)N AB48909 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.1 C=C(CCCl)I MB13669 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.3 C(=O)C(C=O)Br PB21703 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.3 C(=O)N(C=O)[Na] AB03947 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.3 CCC(=O)C=O AB21438 [1,1,0,0,0,0|0,0,2]=4 53 B7R0.2 CCC(CC(=O)O)N AB01525 [0,2,0,0,0,0|0,0,2]=4 54 B7R0.3 COC(=O)CCC=C AB16906 [0,2,0,0,0,0|0,0,0]=2 55 B7R0.3 COC(=O)CCCO AB65249 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,2,0,0,0,0|0,0,2]=4 57 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,2,0,0,0,0|0,0,2]=4 58 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.6 CC(=O)CNC(=O)C AB02398 [0,2,0,0,0,0|1,0,1]=4 61 B7R0.6 CC(=O)NCC(=O)O AB00351 [0,2,0,0,0,0|1,0,1]=4 62 B7R0.1 CNCCCCC=C CB11323 [0,2,0,0,0,0|1,0,1]=4 63 B5R1.1 c1cocn1 PB17048 [1,0,0,1,0,0|1,0,1]=4 64 B5R1.2 C1C(=O)CN1 PB32275 [1,0,0,1,0,0|1,0,1]=4 65 B5R1.2 C1C(=O)CO1 PB20352 [1,0,0,1,0,0|1,0,1]=4 66 B5R1.2 C1C(=O)CS1 PB29880 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.1 C1=NC=NC1C=O PB14141 [0,1,0,1,0,0|1,0,0]=3 68 B7R1.1 C1=NN=CC1C=O PB14282 [0,1,0,1,0,0|1,0,1]=4 69 B7R1.1 C1=NN=NC1C=O AB28395 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.1 C1C=C(C=N1)C=O AB15013 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.1 C1C=CCC1C=O AB76805 [0,1,0,1,0,0|0,0,0]=2 72 B7R1.1 C1C=CCC1CBr AB76476 [0,1,0,1,0,0|1,0,1]=4 73 B7R1.1 C1C=CCC1CO PB12789 [0,1,0,1,0,0|0,0,2]=4 74 B7R1.1 C1C=CN=C1C=O AB00388 [0,1,0,1,0,0|0,0,1]=3 75 B7R1.1 C1CC=C(C1)CBr PB30182 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.1 C1CCC(C1)C=O AB02400 [0,1,0,1,0,0|0,0,2]=4 77 B7R1.1 c1c(nco1)C=O PB23292 [0,1,0,1,0,0|1,0,1]=4 78 B7R1.1 c1c(ncs1)C=O AB06592 [0,1,0,1,0,0|1,0,1]=4 79 B7R1.1 c1c(ocn1)C=O AB11283 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.1 c1c(scn1)C=O AB11293 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.1 c1cn(nn1)C=O MB06576 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.1 c1cnsc1C=O AB32448 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.1 c1coc(n1)C=O AB14413 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.1 c1conc1C=O PB26237 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.1 c1csc(n1)C=O PB12109 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.1 c1cscc1C=O PB14065 [0,1,0,1,0,0|0,0,2]=4 87 B7R1.2 C1C(=CC(=O)N1)Br CB11702 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.2 C1C(=O)N=C(N1)N AB60588 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.2 C1C(CNC1=O)N PB17844 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.2 CN1CCC(=O)C1 PB26542 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.3 C1CC(=O)CNC1 AB27650 [0,1,0,1,0,0|0,0,2]=4 95 B7R1.3 C1CC(=O)CNC1 PB26241 [0,1,0,1,0,0|0,0,2]=4 96 B7R1.3 C1CC(=O)COC1 PB27461 [0,1,0,1,0,0|0,0,2]=4 97 B7R1.3 C1CC(=O)CSC1 PB28980 [0,1,0,1,0,0|0,0,2]=4 98 B7R1.3 C1CNC(=O)CN1 PB23229 [0,1,0,1,0,0|1,0,1]=4 99 B7R1.3 C1CNCCC1=O PB32095 [0,1,0,1,0,0|0,0,2]=4 100 B7R1.3 C1COC(=O)CN1 AB71646 [0,1,0,1,0,0|1,0,1]=4 101 B7R1.3 C1COCC(=O)N1 PB29100 [0,1,0,1,0,0|1,0,1]=4 102 B7R1.3 C1COCC=C1I AB69543 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.3 C1COCCC1=O PB24536 [0,1,0,1,0,0|0,0,2]=4 104 B7R1.3 C1CSCCC1=O PB25896 [0,1,0,1,0,0|0,0,2]=4 105 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,1,0,1,0,0|1,0,1]=4 107 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,1,0,1,0,0|1,0,1]=4 108 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,1,0,1,0,0|1,0,1]=4 109 B7R1.4 CC1=C(C=NC1)C PB27606 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.6 C1C(CO1)CC=O PB14037 [0,1,0,1,0,0|0,0,2]=4 111 B7R1.6 C1CC(C1)CC=O AB49507 [0,1,0,1,0,0|0,0,2]=4 112 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,1,0,0|0,0,2]=4 113 B7R1.10 C1C(CC1=O)C#N PB12223 [0,1,0,1,0,0|1,0,1]=4 114 B7R1.10 C1C(CC1=O)CBr PB27115 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.10 C1C(CC1=O)CCl PB28331 [0,1,0,1,0,0|1,0,1]=4 116 B7R1.10 C1C(CC1=O)CN PB21511 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.10 C1C(CC1=O)CO PB17805 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.10 C=C1CC(C1)C#N PB19908 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.25 CC1(COC1)C=O PB34454 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,1,0,1,0,0|0,0,2]=4 122 B7R1.14 C1CS(=O)(=O)N=C1 PB24505 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.18 C1C(CN1)C(=O)N PB14800 [0,1,0,1,0,0|1,0,1]=4 124 B7R1.18 C1C(CN1)C(=O)N PB22567 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.18 C1C(CN1)C(=O)O PB12129 [0,1,0,1,0,0|1,0,1]=4 126 B7R1.18 C1C(CO1)C(=O)O PB18896 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.18 C1CNC1C(=O)N MB03936 [0,1,0,1,0,0|1,0,1]=4 128 B7R1.18 C1CNC1C(=O)O PB12060 [0,1,0,1,0,0|1,0,1]=4 129 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.18 C1COC1C(=O)O PB26385 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.20 C1CC1CC(=O)O PB21648 [0,1,0,1,0,0|0,0,2]=4 132 B7R1.23 C1C(C1(F)F)C=O AB68663 [0,1,0,1,0,0|1,0,1]=4