0 B5R0.1 B(\C=C\C)(O)O AB11274 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 CC#CN(C)C AB76935 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CC(=O)\C=N\O AB00206 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(C)N=C=O AB00193 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.1 C=C[N+](=O)[O-] CB10433 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 CC(=N)NN AB09895 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 CC(=O)C=O AB00820 [1,0,0,0,0,0|1,0,0]=2 7 B4R0.1 CC(=O)NN AB00888 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 CC(=O)NO AB01014 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 C\C(=N\O)\N AB06530 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.2 C(=C\O)/C#N AB85343 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.1 COC(=O)\C=C\N AB31601 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.1 C\C(=C\OC)\C#N AB65880 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.1 C\C(=N/C)\NC#N AB21063 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.2 B(C=C(C)C)(O)O AB08065 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.2 CC(=O)NC(=N)N AB02893 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.2 CC(C)CC(=N)N AB60903 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.2 CC(C)CC(=S)N AB52630 [0,1,0,0,0,0|0,1,2]=4 19 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.3 CC(C)C(=N)NN AB56371 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 CC(C)C(=O)NN PB30560 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.4 CC(=O)\C=C\OC AB00959 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.5 CC(C)(C)N=C=O AB00190 [0,1,0,0,0,0|1,0,2]=4 24 B6R1.2 C1C=C(CO1)I AB84905 [0,0,0,1,0,0|1,0,2]=4 25 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.2 CC1=CN=CC1 PB12076 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.2 CC1=CN=NC1 AB00390 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.2 CC1=NC=CC1 AB12705 [0,0,0,1,0,0|2,0,0]=3 29 B6R1.2 CC1=NN=NC1 AB70603 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.2 Cc1ccon1 AB01288 [0,0,0,1,0,0|1,0,1]=3 31 B6R1.2 Cc1cocn1 AB63545 [0,0,0,1,0,0|1,0,2]=4 32 B6R1.2 Cn1cccn1 PB33818 [0,0,0,1,0,0|3,0,0]=4 33 B6R1.2 Cn1ccnn1 AB51214 [0,0,0,1,0,0|3,0,0]=4 34 B6R1.2 c1cc(oc1)Br AB04890 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.2 c1cc(sc1)N AB08372 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.2 c1cnoc1N MB00706 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.2 c1conc1N PB33787 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.2 c1conc1O MB20248 [0,0,0,1,0,0|2,0,1]=4 39 B6R1.2 c1cscc1N MB09694 [0,0,0,1,0,0|1,1,1]=4 40 B6R1.2 c1cscc1N PB23357 [0,0,0,1,0,0|1,1,1]=4 41 B6R1.3 C1CC1CC=O AB51242 [0,0,0,1,0,0|0,0,2]=3 42 B6R1.3 C1CC1N=C=O AB10805 [0,0,0,1,0,0|1,0,2]=4 43 B6R1.3 C1CC1\C=C\Br AB76480 [0,0,0,1,0,0|1,0,1]=3 44 B6R1.5 C1C(CC1=O)Br PB30412 [0,0,0,1,0,0|1,0,2]=4 45 B6R1.5 C1C(CC1=O)F PB36975 [0,0,0,1,0,0|1,0,2]=4 46 B6R1.5 C1C(CC1=O)N PB20766 [0,0,0,1,0,0|1,0,2]=4 47 B3R0.1 C(=O)NN AB00881 [2,0,0,0,0,0|2,0,0]=4 48 B3R0.1 C\C=C/I AB73504 [2,0,0,0,0,0|1,0,0]=3 49 B3R0.1 C\C=C\Br AB00109 [2,0,0,0,0,0|1,0,0]=3 50 B3R0.2 C[S+](C)C AB01061 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.3 CCC(=O)C=O AB21438 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.5 CC(C(=O)N)N AB43014 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.5 CC(C)C(=N)N AB07702 [1,1,0,0,0,0|1,0,1]=4 54 B5R0.5 CC(C)C(=S)N AB32169 [1,1,0,0,0,0|0,1,1]=4 55 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.2 C\C(=C/C(=O)OC)\N AB00926 [0,2,0,0,0,0|1,0,0]=3 58 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,2,0,0,0,0|0,0,0]=2 59 B7R0.10 C\C(=C(\C)/OC)\C#N AB65883 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.9 CC(C)(C)OC(=O)N PB11584 [0,2,0,0,0,0|1,0,1]=4 61 B7R0.16 B(C(=C(C)C)C)(O)O AB25209 [0,2,0,0,0,0|1,0,1]=4 62 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,2,0,0,0,0|0,0,2]=4 63 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,2,0,0,0,0|0,0,2]=4 64 B7R0.14 CC(C)(C)C(=O)C=O AB08363 [0,2,0,0,0,0|0,0,1]=3 65 B7R0.6 C(=C/C(=O)[O-])/C(=O)[O-] MB00769 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.6 CC(=O)CNC(=O)C AB02398 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.6 CC(=O)NCC(=O)O AB00351 [0,2,0,0,0,0|1,0,1]=4 68 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.6 CN(C)\C=C\[N+](=O)[O-] AB02125 [0,2,0,0,0,0|1,0,0]=3 70 B7R1.1 C1CC=C(C1)CBr PB30182 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.1 CCC1=CN=CC1 AB31265 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.1 CSC1=NC=NC1 CB10764 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.1 c1cc(oc1)CCl MB06568 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.1 c1cc(sc1)CN PB17027 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.1 c1cc(sc1)CO PB10001 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.1 c1cnoc1CN AB27950 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.1 c1cnoc1CN AB27954 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.1 c1cnoc1CO AB28102 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.1 c1cnsc1CCl AB70841 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.1 c1cnsc1CN AB70840 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.1 c1conc1CCl MB04274 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.1 c1conc1CN PB24935 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.1 c1conc1CO PB15902 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.1 c1cscc1CN AB13999 [0,1,0,1,0,0|0,1,1]=4 85 B7R1.1 c1cscc1CN PB12237 [0,1,0,1,0,0|0,1,1]=4 86 B7R1.1 c1cscc1CO PB10036 [0,1,0,1,0,0|0,1,1]=4 87 B7R1.1 c1csnc1CN PB23687 [0,1,0,1,0,0|1,1,0]=4 88 B7R1.2 C1C(=CC(=O)N1)Br CB11702 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.2 C1C(=O)N=C(N1)N AB60588 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.2 CC1=NC(=NC1)Br AB26590 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.2 CC1=NC(=NC1)Cl AB53096 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.2 CC1=NC(=NC1)N AB27175 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.2 CC1=NC(=NC1)N AB27178 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.2 CC1=NC(=O)N=C1 AB05017 [0,1,0,1,0,0|1,0,0]=3 95 B7R1.2 CC1=NN=C(C1)Br AB63797 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.2 CC1=NN=C(C1)Cl PB14164 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.2 CC1=NN=C(C1)N PB33812 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.2 CN1CCC(=O)C1 PB26542 [0,1,0,1,0,0|1,0,1]=4 99 B7R1.2 Cc1[nH]c(cn1)Cl AB58131 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.2 Cc1[nH]cc(n1)Br AB14336 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.2 Cc1[nH]cc(n1)N AB60590 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.2 Cc1cc(cs1)Br AB20690 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.2 Cc1cc(no1)N PB28932 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.2 Cc1cc(on1)N MB00134 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.2 Cc1cc(sc1)C CB10250 [0,1,0,1,0,0|0,1,1]=4 106 B7R1.2 Cc1ccc(o1)Br AB64979 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.2 Cc1ccn(n1)C PB27396 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.2 Cc1cnc(o1)Br AB71573 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.2 Cc1cnc(o1)C AB72158 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.2 Cc1cnc(o1)Cl AB53091 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.2 Cc1cnc(o1)N AB52683 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.2 Cc1cnc(o1)O AB53086 [0,1,0,1,0,0|1,0,1]=4 113 B7R1.2 Cc1cnc(s1)Br AB45716 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.2 Cc1cnc(s1)Cl AB13892 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.2 Cc1cnc(s1)N AB03001 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.2 Cc1cnc(s1)O AB53102 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.2 Cc1coc(n1)Br AB68303 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.2 Cc1coc(n1)Cl AB68302 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.2 Cc1coc(n1)N PB17112 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.2 Cc1csc(n1)Br PB26224 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.2 Cc1csc(n1)N AB00403 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.2 Cc1nc(co1)N MB11373 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.2 Cc1nc(cs1)Br AB23819 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.2 Cc1ncc(o1)N MB11377 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.2 Cc1ncc(s1)Br AB54339 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.3 Cc1cccnn1 PB33649 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.3 Cc1ccncn1 PB17038 [0,1,0,1,0,0|1,0,1]=4 128 B7R1.3 Cc1ccnnc1 PB24546 [0,1,0,1,0,0|1,0,1]=4 129 B7R1.3 Cc1nccnn1 AB55984 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.4 CC1=C(C=NC1)C PB27606 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.4 CC1=C(N=NC1)Br PB11022 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.4 CC1=C(N=NC1)N AB44283 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.4 CC1=C(N=NC1)N AB72239 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.4 CC1=NC=NC1Br AB26578 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.4 CC1=NC=NC1N MB11358 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.4 CC1C(=NC=N1)C AB09621 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.4 Cc1c(cco1)N AB71442 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.4 Cc1c(cno1)N MB10128 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.4 Cc1c(con1)N MB11367 [0,1,0,1,0,0|1,0,1]=4 140 B7R1.4 Cc1c(ocn1)C AB63543 [0,1,0,1,0,0|1,0,1]=4 141 B7R1.4 Cc1ccsc1Br PB25943 [0,1,0,1,0,0|0,1,1]=4 142 B7R1.4 Cn1c(ccn1)N PB33809 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.6 C1C(=CC#N)CO1 PB15181 [0,1,0,1,0,0|1,0,1]=4 144 B7R1.6 C1C(CO1)CC=O PB14037 [0,1,0,1,0,0|0,0,2]=4 145 B7R1.6 C1CC(C1)CC=O AB49507 [0,1,0,1,0,0|0,0,2]=4 146 B7R1.6 COC=C1COC1 AB76192 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.10 C1C(CC1=O)CBr PB27115 [0,1,0,1,0,0|0,0,2]=4 148 B7R1.10 C1C(CC1=O)CCl PB28331 [0,1,0,1,0,0|0,0,2]=4 149 B7R1.10 C1C(CC1=O)CN PB21511 [0,1,0,1,0,0|0,0,2]=4 150 B7R1.10 C1C(CC1=O)CO PB17805 [0,1,0,1,0,0|0,0,2]=4 151 B7R1.22 C1CC1C(=O)C=O AB62322 [0,1,0,1,0,0|0,0,1]=3 152 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,1,0,1,0,0|0,0,2]=4 153 B7R1.20 C1CC1CC(=O)O PB21648 [0,1,0,1,0,0|0,0,2]=4