0 B7R0.4 B(\C=C\CCC)(O)O AB08112 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 B(\C=C\COC)(O)O AB17382 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 CC(=O)\C=C\OC AB00959 [1,0,0,0,0,0|2,0,0]=3 3 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,1,0,0,0,0|1,0,2]=4 4 B8R0.9 B(\C=C\C(=O)OC)(O)O AB23136 [0,1,0,0,0,0|2,0,1]=4 5 B8R0.28 CC(=NOCC(=O)O)C AB13789 [0,1,0,0,0,0|2,0,1]=4 6 B8R1.1 CCc1cnc(o1)N AB64704 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.1 Cc1ccc(s1)C=O AB00417 [0,0,0,1,0,0|2,1,0]=4 8 B8R1.1 Cc1cnc(o1)NC AB65971 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.1 Cc1ncc(o1)C=O AB27658 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.1 c1cc(sc1C=O)Br PB32069 [0,0,0,1,0,0|2,1,0]=4 11 B8R1.1 c1cc(sc1C=O)Cl PB17085 [0,0,0,1,0,0|2,1,0]=4 12 B8R1.4 C1C(=CC=NC1=O)Br PB17828 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.4 Cc1cc(ccn1)Br AB17599 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.4 Cc1cc(ccn1)Br PB26077 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.4 Cc1cc(ccn1)Cl AB01756 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.4 Cc1cc(ccn1)F AB17919 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.4 Cc1cc(ccn1)O PB24839 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.4 Cc1cc(cnc1)Br AB09597 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.4 Cc1cc(cnc1)Cl AB17994 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.4 Cc1cc(cnc1)F AB13643 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.4 Cc1cc(cnc1)N AB17573 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.4 Cc1cc(cnc1)O MB01362 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.4 Cc1cccc(n1)Br AB01812 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.4 Cc1cccc(n1)Cl AB00666 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.4 Cc1cccc(n1)F AB01860 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.4 Cc1cccc(n1)N AB00717 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.4 Cc1cccc(n1)O AB00679 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.4 Cc1cccc(n1)S AB25230 [0,0,0,1,0,0|1,1,0]=3 30 B8R1.4 Cc1ccnc(c1)Br AB03099 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 Cc1ccnc(c1)Cl PB10051 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.4 Cc1ccnc(c1)F AB01854 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 Cc1ccnc(c1)N AB00703 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 Cc1ccnc(c1)O AB03735 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.4 Cc1ccnc(n1)Cl PB14106 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.4 Cc1ccnc(n1)N MB00179 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.4 Cc1cncc(n1)Br AB48617 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.4 Cc1cncc(n1)Cl AB02267 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.4 Cc1cncc(n1)N AB43812 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.4 Cc1nccc(n1)Cl PB30633 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.4 Cc1nccc(n1)N AB06587 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.4 c1c(cncc1Br)O PB30658 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.4 c1c(cncc1F)O AB13569 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.4 c1c(cncc1O)N AB17983 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.4 c1c(cncc1O)O MB02073 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.4 c1cc(nc(c1)Br)F AB13626 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.4 c1cc(nc(c1)Br)N PB32140 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.4 c1cc(nc(c1)Br)O AB05100 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.4 c1cc(nc(c1)F)N AB17974 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.4 c1cc(nc(c1)I)I AB31088 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.4 c1cc(nc(c1)I)N AB42508 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.4 c1cnc(cc1Cl)O AB13188 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.4 c1cnc(cc1N)O PB15716 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.4 c1cnc(cc1O)Br AB05095 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.4 c1cnc(cc1O)Cl AB09576 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.4 c1cnc(cc1O)F AB17930 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.4 c1cnc(cc1O)I MB26582 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.4 c1cnc(cc1O)N AB17934 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.4 c1cnc(nc1Cl)O AB68453 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.7 B(C1=NC=CC1)(O)O AB13435 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.7 B(c1ccc[se]1)(O)O AB08878 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.7 B(c1ccco1)(O)O AB07247 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.7 B(c1cccs1)(O)O AB04002 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.7 C1=NC=NC1C(=O)O AB03082 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [0,0,0,1,0,0|1,0,2]=4 73 B8R1.7 C1C=C(N=N1)C(=O)O AB06191 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.7 C1C=C(N=N1)C(=O)O PB17100 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.7 C1C=CCC1C(=O)O PB14124 [0,0,0,1,0,0|0,0,2]=3 76 B8R1.7 C1COC=C1C(=O)O PB26262 [0,0,0,1,0,0|1,0,1]=3 77 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.7 CC(=O)c1ccsc1 PB17033 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.7 CC(=O)c1cocn1 AB73503 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.7 CC(=O)c1ncco1 AB42105 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.7 c1[nH]c(nn1)C(=O)O AB04453 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.7 c1[nH]nc(n1)C(=O)O AB02998 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.7 c1c(con1)C(=O)O AB27926 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.7 c1c(csn1)C(=O)O AB48586 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.7 c1c(nco1)C(=O)O PB14470 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.7 c1c(nco1)C(=O)[O-] AB28203 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.7 c1c(ncs1)C(=O)N AB06564 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.7 c1c(ncs1)C(=O)O AB06561 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.7 c1c(non1)C(=O)O AB06534 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.7 c1c(nsn1)C(=O)O AB09086 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.7 c1c(ocn1)C(=O)N AB19298 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.7 c1c(ocn1)C(=O)O AB19293 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.7 c1c(scn1)C(=O)O AB15430 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.7 c1cc(oc1)C(=N)N AB07706 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.7 c1cnsc1C(=O)O AB32452 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.7 c1coc(n1)C(=O)N AB19289 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.7 c1coc(n1)C(=O)O AB19305 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.7 c1cocc1C(=O)O PB30525 [0,0,0,1,0,0|1,0,1]=3 99 B8R1.7 c1conc1C(=O)O PB26232 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.7 c1csc(n1)C(=O)O AB10888 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.7 c1cscc1C(=O)O PB18386 [0,0,0,1,0,0|1,0,1]=3 102 B8R1.7 c1csnc1C(=O)O PB34433 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.7 c1nnc(o1)C(=O)O AB57583 [0,0,0,1,0,0|3,0,0]=4 104 B5R0.1 B(\C=C\C)(O)O AB11274 [2,0,0,0,0,0|1,0,1]=4 105 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.3 COC(=O)CCC=C AB16906 [1,1,0,0,0,0|0,0,2]=4 107 B7R0.6 C(=C/C(=O)[O-])/C(=O)[O-] MB00769 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.6 CC(=O)NCC(=O)O AB00351 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [1,1,0,0,0,0|2,0,0]=4 110 B7R1.2 CC1=NC(=O)N=C1 AB05017 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.2 Cc1ccc(o1)Br AB64979 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.2 Cc1cnc(o1)Br AB71573 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.2 Cc1cnc(o1)C AB72158 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.2 Cc1cnc(o1)Cl AB53091 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.2 Cc1cnc(o1)N AB52683 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.2 Cc1cnc(o1)O AB53086 [1,0,0,1,0,0|1,0,1]=4 117 B7R1.2 Cc1cnc(s1)O AB53102 [1,0,0,1,0,0|1,1,0]=4 118 B7R1.2 Cc1ncc(o1)N MB11377 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.3 c1cc(nnc1)O PB32258 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.3 c1ccnc(c1)Br AB00627 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.3 c1cnc(cn1)O AB05056 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.3 c1cnccc1O PB17041 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.3 c1cncnc1O PB32093 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.1 C1C=CCC1C=O AB76805 [1,0,0,1,0,0|0,0,2]=4 125 B7R1.1 C1C=CN=C1C=O AB00388 [1,0,0,1,0,0|1,0,0]=3 126 B7R1.1 c1c(nco1)C=O PB23292 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.1 c1c(ncs1)C=O AB06592 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.1 c1c(ocn1)C=O AB11283 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.1 c1c(scn1)C=O AB11293 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.1 c1cc(oc1)C#N AB00309 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.1 c1cc(oc1)CCl MB06568 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.1 c1cc(sc1)CO PB10001 [1,0,0,1,0,0|1,0,1]=4 133 B7R1.1 c1cnsc1C=O AB32448 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.1 c1coc(n1)C=O AB14413 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.1 c1conc1C=O PB26237 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.1 c1csc(n1)C=O PB12109 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.1 c1cscc1C=O PB14065 [1,0,0,1,0,0|1,0,1]=4 138 B7R1.4 Cc1c(cco1)N AB71442 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.4 Cc1ccsc1Br PB25943 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.13 c1cc(sc1)CC(=O)O PB27359 [0,1,0,1,0,0|1,0,0]=3 141 B9R1.13 c1csc(n1)CC(=O)O PB23269 [0,1,0,1,0,0|1,0,1]=4 142 B9R1.13 c1cscc1CC(=O)O PB28939 [0,1,0,1,0,0|0,0,2]=4 143 B9R1.34 Cc1cc([nH]c(=O)c1)O PB33379 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.34 Cc1cc(cc(c1)Br)Cl AB45173 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.34 Cc1cc(cc(c1)Br)F AB10112 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.34 Cc1cc(cc(c1)Br)O MB06890 [0,1,0,1,0,0|1,0,0]=3 147 B9R1.34 Cc1cc(cc(c1)Cl)Cl MB00382 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.34 Cc1cc(cc(c1)Cl)F AB13848 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.34 Cc1cc(cc(c1)Cl)O MB05590 [0,1,0,1,0,0|1,0,0]=3 150 B9R1.34 Cc1cc(cc(c1)I)O MB11871 [0,1,0,1,0,0|1,0,0]=3 151 B9R1.34 Cc1cc(cc(c1)O)N MB00602 [0,1,0,1,0,0|1,0,0]=3 152 B9R1.34 Cc1cc(cc(n1)Br)Cl AB70506 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.34 Cc1cc(cc(n1)Br)F AB71085 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.34 Cc1cc(cc(n1)Br)N AB65433 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.34 Cc1cc(cc(n1)C)Br AB06743 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.34 Cc1cc(cc(n1)C)Cl AB09599 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.34 Cc1cc(cc(n1)C)N AB03678 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.34 Cc1cc(cc(n1)C)O AB07775 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.34 Cc1cc(cc(n1)Cl)Cl AB46092 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.34 Cc1cc(cc(n1)Cl)N AB05304 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.34 Cc1cc(cc(n1)F)Br AB71093 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.34 Cc1cc(cc(n1)N)Cl AB07298 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.34 Cc1cc(cc(n1)N)F AB70902 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.34 Cc1cc(cc(n1)O)Cl AB71203 [0,1,0,1,0,0|1,0,0]=3 165 B9R1.34 Cc1cc(cc(n1)O)F AB71321 [0,1,0,1,0,0|1,0,0]=3 166 B9R1.34 Cc1cc(cc(n1)O)O AB10075 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.34 Cc1cc(nc(c1)Br)C AB03103 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.34 Cc1cc(nc(c1)Cl)O AB71189 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.34 Cc1cc(nc(c1)F)O AB71308 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.34 Cc1cc(nc(c1)N)C AB00706 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.34 Cc1cc(nc(c1)O)C AB07368 [0,1,0,1,0,0|1,0,0]=3 172 B9R1.34 Cc1cc(nc(n1)C)O AB00587 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.34 c1c(cc(cc1Br)I)O MB11855 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.34 c1c(cc(cc1Cl)Br)O AB42547 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.34 c1c(cc(cc1Cl)I)O MB11857 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.34 c1c(cc(cc1F)I)O MB26711 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.34 c1c(cc(cc1I)I)O MB11867 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.34 c1c(cc(cc1O)Br)N MB25497 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.34 c1c(cc(cc1O)F)N MB11825 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.34 c1c(cc(cc1O)I)N MB34300 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.34 c1c(cc(nc1O)Cl)Cl AB62522 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.34 c1c(cc(nc1O)Cl)F AB71139 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.34 c1c(cc(nc1O)F)Cl AB71154 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.41 B(c1c(ccs1)C)(O)O AB05348 [0,1,0,1,0,0|1,0,1]=4 185 B9R1.41 B(c1cccn1C)(O)O AB17290 [0,1,0,1,0,0|1,0,1]=4 186 B9R1.41 C1=NN=C(C1N)C(=O)O AB50212 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.41 C1C=C(C(=N1)C(=O)O)N AB14781 [0,1,0,1,0,0|1,0,1]=4 188 B9R1.41 CC(=O)C1=NC=CC1N AB66021 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.41 CC(=O)c1c(ccs1)Br AB07140 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.41 CC(=O)c1c(ccs1)N AB02201 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.41 CC(=O)c1ccsc1Cl AB72529 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.41 CC(=O)c1ccsc1N AB71423 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.41 CC(=O)c1nccn1C PB12530 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.41 CC1=C(C=NC1)C(=O)C AB03448 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.41 CC1=NN=CC1C(=O)O AB06539 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [0,1,0,1,0,0|0,0,0]=2 197 B9R1.41 Cc1c(ncs1)C(=O)O AB27941 [0,1,0,1,0,0|1,0,0]=3 198 B9R1.41 Cc1c(ocn1)C(=O)O MB01897 [0,1,0,1,0,0|1,0,0]=3 199 B9R1.41 Cc1c(scn1)C(=O)Cl CB11506 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,1,0,1,0,0|0,0,0]=2 201 B9R1.41 Cc1ccsc1C(=O)O AB00421 [0,1,0,1,0,0|0,0,0]=2 202 B9R1.41 Cn1c(ccn1)C(=O)O PB26026 [0,1,0,1,0,0|1,0,0]=3 203 B9R1.41 Cn1c(cnn1)C(=O)O AB57108 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.41 Cn1cccc1C(=O)O CB10008 [0,1,0,1,0,0|0,0,0]=2 205 B9R1.41 Cn1ccnc1C(=O)O PB21787 [0,1,0,1,0,0|1,0,0]=3 206 B9R1.41 Cn1cncc1C(=O)O PB24704 [0,1,0,1,0,0|1,0,0]=3 207 B9R1.41 Cn1cnnc1C(=O)O AB57420 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.41 c1[nH]c(c(n1)C(=O)O)N AB54857 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [0,1,0,1,0,0|1,0,0]=3 210 B9R1.41 c1cc(n(c1)N)C(=O)N PB26616 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [0,1,0,1,0,0|1,0,0]=3 212 B9R1.41 c1coc(c1I)C(=O)O AB85068 [0,1,0,1,0,0|1,0,0]=3 213 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [0,1,0,1,0,0|1,0,0]=3 214 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [0,1,0,1,0,0|1,0,0]=3 215 B9R1.41 c1csc(c1N)C(=O)N AB02202 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.41 c1csc(c1N)C(=O)O AB14784 [0,1,0,1,0,0|1,0,0]=3 217 B9R1.1 CCc1ccc(cn1)O MB03842 [0,1,0,1,0,0|1,0,1]=4 218 B9R1.1 CNc1ccc(cn1)O AB69733 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.1 COc1ccc(cn1)O CB10969 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.1 CSc1ccc(cn1)O MB25590 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.1 c1cc(ncc1O)C=O AB59867 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.2 C1C(=CC=NC1=O)CCl AB59907 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.2 C1C(=CC=NC1=O)CN PB31062 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.2 C1C(=CC=NC1=O)CO PB31863 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.2 CCc1cc(ccn1)O MB11624 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.2 CCc1cc(cnc1)O MB12329 [0,1,0,1,0,0|1,0,1]=4 227 B9R1.2 CCc1cccc(n1)Br MB10338 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.2 CNc1cc(ccn1)O MB29569 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.2 CNc1cc(cnc1)O MB32689 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.2 CNc1cc[nH]c(=O)n1 AB60627 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.2 CNc1cccc(c1)O MB25493 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.2 CNc1cccc(n1)Br AB50070 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.2 CNc1cccc(n1)Cl AB05190 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.2 COc1cc(ccn1)O MB11972 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.2 COc1cc(cnc1)O AB29711 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.2 COc1cccc(n1)Cl AB00671 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.2 COc1cccc(n1)F AB55818 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.2 COc1cccc(n1)I AB31101 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.2 COc1cccc(n1)N AB21183 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.2 COc1cccc(n1)O AB31854 [0,1,0,1,0,0|1,0,0]=3 241 B9R1.2 CSc1[nH]c(=O)ccn1 PB24697 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.2 CSc1cc(ccn1)O MB36936 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.2 CSc1cc(cnc1)O MB28894 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.2 CSc1cccc(n1)Br MB07302 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.2 Cc1cc(ccn1)C=O AB24827 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.2 Cc1cc(cnc1)C=O PB18860 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.2 Cc1cc(cnc1)CO PB10532 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.2 Cc1cc(cnc1)OC AB64998 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.2 Cc1cccc(n1)C#N AB04512 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.2 Cc1cccc(n1)C=O AB00683 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.2 Cc1cccc(n1)CCl AB49651 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.2 Cc1cccc(n1)CN AB22796 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.2 Cc1cccc(n1)NC AB60602 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.2 Cc1ccnc(n1)C=O PB28177 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.2 Cc1ccnc(n1)CO PB24151 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.2 Cc1cncc(n1)C=O AB62637 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.2 Cc1nccc(n1)C=O AB52721 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.2 c1c(cncc1O)C=O AB67779 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.2 c1c(cncc1O)CN MB28837 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [0,1,0,1,0,0|1,0,0]=3 262 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.2 c1cc(nc(c1)F)CN AB66365 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.2 c1cc(nc(c1)I)CO AB42511 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.2 c1cc(nc(c1)N)CO AB53761 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.2 c1cc(nc(c1)O)C#N AB62925 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.2 c1cnc(cc1O)C=O AB68125 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.2 c1cnc(cc1O)CN MB14853 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.2 c1cnc(nc1CN)O PB23029 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.2 c1cnc(nc1O)CCl AB59397 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.2 c1cnc(nc1O)CN AB63186 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.3 Cc1c(c(ccn1)Cl)O AB71205 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.3 Cc1c(c(ccn1)F)O AB71324 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.3 Cc1c(cccc1Br)O MB09253 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.3 Cc1c(cccc1I)O MB23347 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.3 Cc1c(nccc1O)C AB75493 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.3 Cc1cccc(c1F)N AB25121 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.3 Cc1cccc(c1I)O MB23494 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.3 Cc1cccc(c1N)Br MB03160 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.3 Cc1cccc(c1N)F MB03934 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.3 Cc1cccc(c1O)F MB11516 [0,1,0,1,0,0|1,0,0]=3 295 B9R1.3 Cc1cccc(c1O)I MB23471 [0,1,0,1,0,0|1,0,0]=3 296 B9R1.3 Cc1cccc(c1O)N MB02950 [0,1,0,1,0,0|1,0,0]=3 297 B9R1.3 Cc1ccnc(c1C)O AB66577 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.3 Cc1ccnc(c1Cl)O AB71192 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.3 Cc1ccnc(c1O)C AB43831 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.3 Cc1ccnc(c1O)Cl AB17632 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.3 Cc1ccnc(c1O)F AB71297 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.3 Cc1cncc(c1C)O AB65620 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.3 Cc1cncc(c1Cl)O AB71654 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.3 Cc1cncc(c1F)O AB82936 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.3 Cc1cncc(c1O)C AB82550 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.3 Cc1cncc(c1O)Cl AB75744 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.3 Cc1cncc(c1O)F AB25961 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.3 Cn1c(=O)cccc1Br MB01001 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.3 Cn1cccc(c1=O)Br PB32951 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.3 Cn1cccc(c1=O)N PB15071 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.3 c1cc(c(c(c1)Br)Br)O MB05354 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.3 c1cc(c(c(c1)Br)I)O MB05341 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.3 c1cc(c(c(c1)Br)O)Cl MB08152 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.3 c1cc(c(c(c1)Br)O)N AB44905 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.3 c1cc(c(c(c1)Cl)Br)O MB03079 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.3 c1cc(c(c(c1)Cl)I)O MB05351 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.3 c1cc(c(c(c1)Cl)N)O MB10127 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.3 c1cc(c(c(c1)F)Br)O MB03082 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.3 c1cc(c(c(c1)F)Cl)O MB05350 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.3 c1cc(c(c(c1)F)I)O MB05358 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.3 c1cc(c(c(c1)F)O)N AB45742 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.3 c1cc(c(c(c1)I)Br)O MB05348 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.3 c1cc(c(c(c1)I)Cl)O MB05352 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.3 c1cc(c(c(c1)I)F)O MB12056 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.3 c1cc(c(c(c1)I)I)O MB05357 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.3 c1cc(c(c(c1)I)N)O MB03004 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.3 c1cc(c(c(c1)I)O)Br MB25662 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.3 c1cc(c(c(c1)I)O)Cl MB14795 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.3 c1cc(c(c(c1)I)O)F MB05032 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.3 c1cc(c(c(c1)I)O)I MB25505 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.3 c1cc(c(c(c1)I)O)N MB35855 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.3 c1cc(c(c(c1)N)O)N MB01221 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.3 c1cc(c(c(c1)O)Br)N MB10095 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.3 c1cc(c(c(c1)O)Cl)N MB09140 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.3 c1cc(c(c(c1)O)F)N MB25684 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.3 c1cc(c(c(c1)O)I)N MB09919 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [0,1,0,1,0,0|1,0,0]=3 338 B9R1.11 COC(=O)C1=CN=NC1 AB44633 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.11 COC(=O)C1=CN=NC1 PB24659 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.11 COC(=O)C1=NC=NC1 PB18686 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.11 COC(=O)C1=NN=CC1 PB10159 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.11 COC(=O)c1ccsc1 PB18711 [0,1,0,1,0,0|1,0,1]=4 344 B9R1.11 COC(=O)c1cncs1 AB16044 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.11 COC(=O)c1cscn1 AB25133 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.11 COC(=O)c1ncco1 AB42108 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.11 c1cc(oc1)C(=O)C=O AB04785 [0,1,0,1,0,0|1,0,1]=4 348 B9R1.11 c1cc(oc1)C(=O)C=O AB49990 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.11 c1cc(sc1)C(=O)C=O AB48645 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [0,1,0,1,0,0|1,0,0]=3 351 B9R1.21 c1cc(oc1C=O)C#N AB44041 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.79 COC(=O)C=C1COC1 PB34790 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,1,0,1,0,0|0,0,2]=4 354 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,1,0,1,0,0|0,0,2]=4 355 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,1,0,1,0,0|1,0,1]=4 356 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,1,0,1,0,0|1,0,1]=4 357 B9R1.6 CC(=O)c1cccnn1 PB16551 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.6 CC(=O)c1ccncc1 AB00760 [0,1,0,1,0,0|1,0,1]=4 359 B9R1.6 CC(=O)c1ccncn1 PB17606 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.6 CC(=O)c1cnccn1 AB00602 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.6 CC(=O)c1ncccn1 PB34295 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.6 c1c(cncn1)C(=O)O PB23195 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.6 c1c(ncnn1)C(=O)O AB72448 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [0,1,0,1,0,0|1,0,0]=3 365 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,1,0,1,0,0|0,0,1]=3 366 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [0,1,0,1,0,0|1,0,0]=3 367 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [0,1,0,1,0,0|1,0,0]=3 368 B9R1.6 c1cnccc1C(=O)O AB00757 [0,1,0,1,0,0|0,0,1]=3 369 B9R1.6 c1cncnc1C(=O)O PB29023 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.6 c1cnnc(n1)C(=O)O AB48886 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.6 c1cnncc1C(=O)O PB17054 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.6 c1ncnc(n1)C(=O)O AB60791 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.35 B(c1ccc(o1)C)(O)O AB08313 [0,1,0,1,0,0|1,0,1]=4 374 B9R1.35 B(c1ccc(s1)C)(O)O PB21738 [0,1,0,1,0,0|1,0,1]=4 375 B9R1.35 C1=C(N=CC1N)C(=O)O AB43641 [0,1,0,1,0,0|1,0,1]=4 376 B9R1.35 C1=NC(=O)N=C1C(=O)O AB09197 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.35 C1C=C(N=C1Br)C(=O)O MB19809 [0,1,0,1,0,0|1,0,1]=4 378 B9R1.35 C1CC(=O)C=C1C(=O)O CB11482 [0,1,0,1,0,0|0,0,1]=3 379 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O MB00931 [0,1,0,1,0,0|0,0,2]=4 380 B9R1.35 CC(=O)C1=NC=C(C1)Cl AB52884 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [0,1,0,1,0,0|1,0,0]=3 383 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [0,1,0,1,0,0|1,1,0]=4 384 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [0,1,0,1,0,0|1,1,0]=4 385 B9R1.35 CC(=O)c1cnc(o1)N AB54806 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.35 CC1=NC(=NC1)C(=O)O AB53262 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.35 CC1=NN=C(C1)C(=O)O PB13019 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.35 Cc1[nH]c(cn1)C(=O)O AB05025 [0,1,0,1,0,0|1,0,0]=3 390 B9R1.35 Cc1[nH]c(nn1)C(=O)O AB12749 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.35 Cc1[nH]c(nn1)C(=O)O AB57423 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.35 Cc1cc(no1)C(=O)O CB10494 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [0,1,0,1,0,0|1,0,0]=3 396 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [0,1,0,1,0,0|0,0,0]=2 397 B9R1.35 Cc1cnc(o1)C(=O)O AB53258 [0,1,0,1,0,0|1,0,0]=3 398 B9R1.35 Cc1cnc(s1)C(=O)O AB43204 [0,1,0,1,0,0|1,0,0]=3 399 B9R1.35 Cc1coc(n1)C(=O)O PB31618 [0,1,0,1,0,0|1,0,0]=3 400 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.35 Cc1csc(n1)C(=O)O PB26270 [0,1,0,1,0,0|1,0,0]=3 402 B9R1.35 Cc1nc(co1)C(=O)O AB05124 [0,1,0,1,0,0|1,0,0]=3 403 B9R1.35 Cc1nc(cs1)C(=O)O AB14027 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.35 Cc1nc(no1)C(=O)O AB44082 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.35 Cc1nc(on1)C(=O)O AB55970 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.35 Cc1ncc(s1)C(=O)O PB12949 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.35 Cc1nnc(s1)C(=O)O AB65141 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.35 Cn1cc(cn1)C(=O)O PB27447 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.35 Cn1cc(nc1)C(=O)O PB21172 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.35 Cn1ccc(n1)C(=O)O PB29090 [0,1,0,1,0,0|1,0,0]=3 411 B9R1.35 c1c(coc1Br)C(=O)O AB45895 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.35 c1c(coc1C(=O)N)Br AB65725 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [0,1,0,1,0,0|1,0,0]=3 414 B9R1.35 c1c(csc1Br)C(=O)O PB20302 [0,1,0,1,0,0|1,0,1]=4 415 B9R1.35 c1c(csc1C(=O)N)Br AB53759 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [0,1,0,1,0,0|1,0,0]=3 417 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.35 c1c(csc1Cl)C(=O)O PB17106 [0,1,0,1,0,0|1,0,1]=4 419 B9R1.35 c1c(csc1F)C(=O)O PB18609 [0,1,0,1,0,0|1,0,1]=4 420 B9R1.35 c1c(nc(o1)Br)C(=O)O PB14959 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.35 c1c(nc(o1)C(=O)O)Br AB59761 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.35 c1c(nc(o1)Cl)C(=O)O PB20528 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.35 c1c(nc(o1)N)C(=O)O PB31410 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.35 c1c(nc(s1)Br)C(=O)O AB20482 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.35 c1c(nc(s1)C(=O)O)Br PB32743 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.35 c1c(nc(s1)Cl)C(=O)O CB11341 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.35 c1c(nc(s1)N)C(=O)O AB07466 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.35 c1c(onc1Br)C(=O)O AB32047 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.35 c1c(sc(n1)Br)C(=O)O PB12322 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.35 c1c(sc(n1)C(=O)O)Br PB31583 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.35 c1c(sc(n1)C(=O)O)Cl PB26550 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.35 c1c(sc(n1)C(=O)O)N PB33442 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.35 c1c(sc(n1)C(=O)O)N PB37974 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.35 c1c(sc(n1)N)C(=O)O AB23200 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.35 c1cc(sc1C(=O)Cl)Cl AB01959 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [0,1,0,1,0,0|1,0,0]=3 437 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [0,1,0,1,0,0|1,0,0]=3 438 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [0,1,0,1,0,0|1,0,0]=3 439 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.69 Cc1c(ccc(n1)Br)Cl AB63580 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.69 Cc1c(ccc(n1)Br)F AB13446 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.69 Cc1c(ccc(n1)Br)N PB20014 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.69 Cc1c(ccc(n1)F)Br AB13479 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.69 Cc1c(ccc(n1)I)Br MB09866 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.69 Cc1c(ccc(n1)N)Br AB02783 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.69 Cc1c(ccc(n1)N)Cl AB50593 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.69 Cc1c(ccc(n1)N)F AB53307 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.69 Cc1c(ccc(n1)N)I AB20800 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [0,1,0,1,0,0|1,0,0]=3 453 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [0,1,0,1,0,0|1,0,0]=3 454 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.69 Cc1cc(ccc1I)O MB06793 [0,1,0,1,0,0|1,0,0]=3 461 B9R1.69 Cc1cc(cnc1Br)O AB53545 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.69 Cc1cc(cnc1C)O AB65534 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.69 Cc1cc(cnc1F)O AB53562 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.69 Cc1cc(ncc1Br)O AB15096 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.69 Cc1cc(ncc1C)O AB71287 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.69 Cc1cc(ncc1Cl)O AB41155 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [0,1,0,1,0,0|2,0,0]=4 472 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.69 Cc1ccc(c(n1)Br)N AB13459 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.69 Cc1ccc(c(n1)Cl)Br AB13590 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.69 Cc1ccc(c(n1)Cl)N AB13580 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.69 Cc1ccc(c(n1)F)N AB13597 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.69 Cc1ccc(c(n1)N)Br AB13584 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.69 Cc1ccc(c(n1)N)Cl AB41203 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.69 Cc1ccc(c(n1)N)N AB15083 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.69 Cc1ccc(cc1I)O MB07177 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.69 Cc1ccc(cc1O)Br MB05210 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.69 Cc1ccc(cc1O)I MB12091 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.69 Cc1ccc(nc1Br)C AB65454 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.69 Cc1ccc(nc1C)Br AB64947 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.69 Cc1ccc(nc1C)N AB23050 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.69 Cc1ccc(nc1C)O AB54521 [0,1,0,1,0,0|1,0,0]=3 495 B9R1.69 Cc1ccc(nc1Cl)O AB71186 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.69 Cc1ccc(nc1F)O AB71306 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.69 Cc1ccc(nc1N)C AB25382 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.69 Cc1ccc(nc1O)C AB71286 [0,1,0,1,0,0|1,0,0]=3 499 B9R1.69 Cc1ccc(nc1O)Cl AB75750 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.69 Cc1ccc(nc1O)F AB82880 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.69 Cc1cnc(nc1O)C AB21544 [0,1,0,1,0,0|2,0,0]=4 502 B9R1.69 Cc1ncc(c(n1)O)F AB04979 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [0,1,0,1,0,0|2,0,0]=4 506 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [0,1,0,1,0,0|2,0,0]=4 507 B9R1.69 c1cc(c(cc1F)O)I MB25431 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.69 c1cc(c(cc1I)O)F MB14983 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.69 c1cc(c(cc1I)O)I MB07529 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.69 c1cc(c(cc1I)O)N MB14436 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.69 c1cc(c(cc1N)O)F MB13362 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.69 c1cc(c(cc1N)O)I MB37209 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.69 c1cc(c(cc1O)Br)Br MB00539 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.69 c1cc(c(cc1O)Br)Cl MB00535 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.69 c1cc(c(cc1O)Br)I MB26105 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.69 c1cc(c(cc1O)Br)N MB08329 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.69 c1cc(c(cc1O)Cl)I MB25466 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.69 c1cc(c(cc1O)Cl)N MB01478 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.69 c1cc(c(cc1O)F)I MB11930 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.69 c1cc(c(cc1O)F)N AB09438 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.69 c1cc(c(cc1O)I)Br MB00538 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.69 c1cc(c(cc1O)I)F MB25606 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.69 c1cc(c(cc1O)I)I MB25449 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.69 c1cc(c(cc1O)I)N MB25412 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.69 c1cc(c(cc1O)N)Br MB07114 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.69 c1cc(c(cc1O)N)I MB13452 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.69 c1cc(c(cc1O)N)N MB04238 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.69 c1cc(nc(c1Cl)F)O AB71143 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.69 c1cc(nc(c1Cl)N)O AB83953 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.69 c1cc(nc(c1Cl)O)Br AB84077 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.69 c1cc(nc(c1Cl)O)Cl AB10185 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.69 c1cc(nc(c1Cl)O)N AB84080 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.69 c1cc(nc(c1Cl)O)O AB84078 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.69 c1cc(nc(c1F)Cl)O AB71136 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.69 c1cc(nc(c1F)O)Cl AB83102 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.69 c1cc(nc(c1N)Cl)O AB70861 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.69 c1cc(nc(c1N)O)Br AB26870 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.69 c1cc(nc(c1O)Cl)O AB71131 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.163 C1C=CCC1(C(=O)O)N AB14600 [0,1,0,1,0,0|0,0,2]=4