0 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 c1c(cncn1)CC(=O)O PB12648 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.18 c1cc(nnc1)CC(=O)O PB14847 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.18 c1cnncc1CC(=O)O PB31426 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.8 C#CCc1cccnc1 AB61408 [1,0,0,0,0,0|0,0,2]=3 18 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 CNCc1ccnnc1 PB24326 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CNCc1cnccn1 PB18749 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 CNCc1cncnc1 PB33284 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 c1c(cncn1)CC#N PB22350 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 c1c(cncn1)CC=O AB57639 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 c1c(cncn1)CCN AB45406 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 c1c(cncn1)CNN PB19654 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 c1cc(cnc1)N=C=O AB08187 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 c1cc(nnc1)CC#N PB25604 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 c1cc(nnc1)CCN AB61130 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 c1cc(nnc1)CNN PB37174 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 c1cnc(cn1)CC#N PB16294 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 c1cnc(cn1)CC=O AB57650 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 c1cnc(cn1)CCN AB22666 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 c1cnc(cn1)CNN PB20222 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 c1cnccc1CCN AB01702 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 c1cnncc1CC#N PB25603 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 c1cnncc1CCN AB62610 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 c1cnncc1CNN PB35490 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.20 CC(=O)Nc1ccc(nc1)Br AB30811 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.20 CC(C)Cc1cnc(cn1)Br AB72274 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.20 CC(C)Cc1cnc(cn1)Cl AB73109 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.20 CC(C)Cc1cnc(cn1)N AB60522 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.20 CC(C)Cc1cnc(nc1)N AB60175 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.20 CC(C)Cc1ncc(cn1)N AB58993 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.20 CC(C)Oc1ccc(cn1)Br MB04495 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.20 CC(C)Oc1ccc(cn1)N AB40632 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.20 CC(C)Oc1ccc(nc1)Br MB13762 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.20 CC(C)Oc1ccc(nn1)Br MB08578 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.20 CC(C)Oc1ccc(nn1)Cl MB01121 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.20 CC(C)Oc1cnc(cn1)Br AB54269 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.20 c1cc(ncc1CC(=O)O)Br AB71018 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.20 c1cc(ncc1CC(=O)O)Cl AB10318 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.20 c1cc(ncc1CC(=O)O)F AB55206 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.36 CN(C)C(=O)c1cccnc1 MB00495 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB06681 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB12427 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.36 c1cc(cnc1)[C@@H](C(=O)O)N AB30490 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.36 c1cc(cnc1)[C@H](C(=O)O)N AB33298 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.40 CC(CN)Oc1ccncc1 AB38917 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.40 COC(=O)Cc1ccnnc1 PB28638 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.86 CC(=O)Nc1cccnc1Br MB03384 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.86 CC(=O)Nc1cnccc1N MB08841 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.86 CC(C)Oc1c(nccn1)Cl MB13976 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.86 CC(C)Oc1ccncc1O MB23246 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.86 CC(C)Oc1cnccc1O MB23247 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O PB10699 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.157 CC(=O)Nc1cc(cnc1)Br MB13418 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.157 CC(C)Nc1cc(ccn1)Br MB13934 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.157 CC(C)Oc1cc(ccn1)Br MB10313 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.157 CC(C)Oc1cc(ccn1)O MB23248 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.157 CC(C)Oc1cc(cnc1)Br MB14161 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.157 CC(C)Oc1cc(cnc1)O MB14428 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.157 CC(C)Oc1cccc(n1)Br AB54102 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.157 CC(C)Oc1ccnc(c1)Cl MB13766 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.157 c1c(cncc1Br)CC(=O)O AB07359 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.157 c1c(cncc1F)CC(=O)O PB22356 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.509 CC(C)(C)Oc1cccnc1 MB01044 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.509 CC(C)(Cc1ccccc1)N AB02355 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.509 CC(C)(Cc1ccccn1)N AB76319 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.509 CC(C)(Cc1cccnc1)N AB77415 [0,1,0,0,0,0|0,0,0]=1 126 B11R1.509 CC(C)(Cc1ccncc1)N AB76603 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.509 CC(C)(Cc1ccncn1)N AB77438 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.509 CC(C)(Cc1cncnc1)N AB77449 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.509 CC(C)(Cc1ncccn1)N AB77436 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.509 [B-](Cc1cccnc1)(F)(F)F AB66845 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.509 c1cc(cnc1)CS(=O)(=O)Cl AB21751 [0,1,0,0,0,0|3,0,0]=4 132 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,0,0,1,0,0|2,0,0]=3 133 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [0,0,0,1,0,0|2,0,1]=4 134 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [0,0,0,1,0,0|2,0,1]=4 135 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [0,0,0,1,0,0|2,0,1]=4 136 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,0,0,1,0,0|2,0,0]=3 137 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,0,0,1,0,0|2,0,0]=3 138 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [0,0,0,1,0,0|3,0,0]=4 139 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [0,0,0,1,0,0|2,0,1]=4 140 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [0,0,0,1,0,0|2,0,1]=4 141 B11R2.238 c1cc(cnc1)OC2CC2 MB19977 [0,0,0,1,0,0|1,0,0]=2 142 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [0,0,0,1,0,0|3,0,0]=4 143 B11R2.238 c1cnccc1OC2CC2 MB19994 [0,0,0,1,0,0|3,0,0]=4 144 B9R1.6 B(c1cccnc1)(O)O AB17635 [0,0,0,0,1,0|3,0,0]=4 145 B9R1.6 B(c1cccnc1)(O)O PB14187 [0,0,0,0,1,0|3,0,0]=4 146 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,0,0,0,1,0|1,0,1]=3 147 B9R1.6 CC(=O)c1cccnn1 PB16551 [0,0,0,0,1,0|2,0,1]=4 148 B9R1.6 CC(=O)c1ccnnc1 PB26895 [0,0,0,0,1,0|2,0,1]=4 149 B9R1.6 CC(=O)c1cnccn1 AB00602 [0,0,0,0,1,0|2,0,1]=4 150 B9R1.6 CC(=O)c1cncnc1 PB20327 [0,0,0,0,1,0|2,0,1]=4 151 B9R1.6 CC(C)c1ccccn1 PB21659 [0,0,0,0,1,0|2,0,0]=3 152 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,0,0,0,1,0|2,0,0]=3 153 B9R1.6 CC(c1ccccn1)N AB21604 [0,0,0,0,1,0|3,0,0]=4 154 B9R1.6 CC(c1cccnc1)N AB09764 [0,0,0,0,1,0|1,0,0]=2 155 B9R1.6 CC(c1ccncc1)N AB11609 [0,0,0,0,1,0|3,0,0]=4 156 B9R1.6 CC(c1ccnnc1)N PB22705 [0,0,0,0,1,0|2,0,0]=3 157 B9R1.6 CC(c1cnccn1)N PB14922 [0,0,0,0,1,0|2,0,0]=3 158 B9R1.6 CC(c1cncnc1)N PB22435 [0,0,0,0,1,0|2,0,0]=3 159 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,0,0,0,1,0|1,0,0]=2 160 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,0,0,0,1,0|3,0,0]=4 161 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [0,0,0,0,1,0|2,0,0]=3 162 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,0,0,0,1,0|1,0,0]=2 163 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,0,0,0,1,0|3,0,0]=4 164 B9R1.6 C[C@H](c1cncnc1)N PB28768 [0,0,0,0,1,0|2,0,0]=3 165 B9R1.6 c1cc(cnc1)C(F)F AB64034 [0,0,0,0,1,0|2,0,0]=3 166 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,0,0,0,0,1|1,0,1]=3 167 B8R1.2 C#Cc1cccnc1 PB29186 [2,0,0,0,0,0|0,0,2]=4 168 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|1,0,0]=3 169 B8R1.2 CNc1cncnc1 AB60774 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|1,0,0]=3 171 B8R1.2 COc1cccnn1 AB05130 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.2 COc1ccnnc1 AB44150 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 c1c(cncn1)CCl PB31962 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 c1c(cncn1)CCl PB34530 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 c1c(cncn1)CN PB26277 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.2 c1c(cncn1)CO PB18631 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.2 c1cc(cnc1)C=O AB00744 [2,0,0,0,0,0|1,0,1]=4 178 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|1,0,0]=3 179 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|1,0,0]=3 180 B8R1.2 c1cc(cnc1)NN AB42924 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.2 c1cc(cnc1)NN PB18886 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.2 c1cc(nnc1)CCl PB28814 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 c1cc(nnc1)CN PB29341 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.2 c1cc(nnc1)CO PB30818 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 c1cnc(cn1)CCl PB20483 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 c1cnc(cn1)CN PB14180 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.2 c1cnc(cn1)CO PB21779 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 c1cnncc1CN PB31361 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 c1cnncc1CO PB26178 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.1 C#CCc1ccc(nc1)Br AB69172 [1,1,0,0,0,0|0,0,2]=4 191 B10R1.1 C#CCc1ccc(nc1)Cl AB69169 [1,1,0,0,0,0|0,0,2]=4 192 B10R1.1 CCOc1ccc(nn1)Cl MB01118 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.1 CCOc1cnc(cn1)Br AB51350 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.1 CCOc1cnc(nc1)Br PB31743 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.1 CCOc1cnc(nc1)Cl PB17760 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.1 CNCc1ccc(nc1)Br AB67269 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.1 Cc1ccc(cn1)CCN AB55173 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.1 Cc1ccc(cn1)CNC AB63786 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.1 Cc1cnc(cn1)CCN AB69468 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.1 Cc1ncc(cn1)CCN AB59372 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.1 c1c(cnc(n1)Cl)CCN AB59374 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.1 c1c(ncc(n1)Cl)CCBr AB69919 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.1 c1cc(ccc1CCBr)N MB02970 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.1 c1cc(ccc1CCN)Br AB00934 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.1 c1cc(ccc1CCN)F AB03730 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.1 c1cc(ccc1CCN)N AB00936 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.1 c1cc(ncc1CC#N)Cl AB17555 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.1 c1cc(ncc1CCN)Br AB45460 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.1 c1cc(ncc1CCN)N AB76809 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.4 CCCc1cncnc1Cl AB55649 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.4 CNCc1cccnc1Cl AB53845 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.4 CNCc1cnccc1Br AB67968 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.4 CNCc1cnccc1Cl AB67984 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.4 CNCc1cnccc1F AB68060 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.4 Cc1ccncc1CCN AB55157 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.4 Cc1ccncc1CNC AB67828 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.4 c1cc(c(nc1)Cl)CC#N PB13101 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.4 c1cncc(c1Br)CC#N AB74620 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.4 c1cncc(c1Br)CCN AB45481 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.4 c1cncc(c1Cl)CCN AB68002 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.4 c1cncc(c1F)CCN AB55177 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.10 CCCc1cccc(n1)N AB03673 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.10 CCCc1ccnc(c1)N AB03633 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.10 CCOc1cc(cnc1)Br AB05134 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.10 CCOc1cncc(n1)Cl AB52638 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.10 CNCc1cc(cnc1)Br AB41067 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.10 CNCc1cc(cnc1)F AB67670 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.10 CNCc1cc(cnc1)N AB67751 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.10 Cc1cc(cnc1)CCN AB55190 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.10 Cc1cc(cnc1)CNC AB67507 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.10 c1c(cncc1Br)CC#N PB14457 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.10 c1c(cncc1Br)CCN AB41071 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.10 c1c(cncc1Br)CNN PB37854 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.10 c1c(cncc1Cl)CCN AB67621 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.10 c1c(cncc1F)CC#N PB29755 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.10 c1c(cncc1F)CCN AB55166 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.10 c1c(cncc1N)CCN AB67760 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.15 CC(c1cccnc1)NC CB11165 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.15 CCC(=O)c1cnccn1 PB23991 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.15 CCC(c1cnccn1)N PB31632 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.17 C#CCOc1cccnc1 AB61421 [1,1,0,0,0,0|0,0,2]=4 268 B10R1.17 CNCCc1cccnc1 AB10676 [1,1,0,0,0,0|0,0,0]=2 269 B10R1.17 CNCCc1ccncc1 AB02055 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.17 c1c(cncn1)CCC=O AB57646 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,1,0,0,0,0|0,0,1]=3 272 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,1,0,0,0,0|0,0,0]=2 273 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.17 c1cnc(cn1)CCC=O AB57652 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.17 c1cnccc1CCCN AB43583 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,1,0,0,1,0|1,0,1]=4 280 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,1,0,0,1,0|1,0,1]=4 281 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,1,0,0,1,0|1,0,1]=4 282 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,1,0,0,1,0|1,0,1]=4 283 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,1,0,0,1,0|1,0,1]=4 284 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [0,1,0,0,1,0|2,0,0]=4 285 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [0,1,0,0,1,0|2,0,0]=4 286 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [0,1,0,0,1,0|2,0,0]=4 287 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [0,1,0,0,1,0|0,0,0]=2 288 B10R1.13 CC(C)c1ccc(nn1)Cl MB11649 [0,1,0,0,1,0|1,0,0]=3 289 B10R1.13 CC(C)c1cnc(cn1)Br AB64004 [0,1,0,0,1,0|1,0,0]=3 290 B10R1.13 CC(C)c1cnc(cn1)Cl AB70173 [0,1,0,0,1,0|1,0,0]=3 291 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [0,1,0,0,1,0|1,0,0]=3 292 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [0,1,0,0,1,0|1,0,0]=3 293 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [0,1,0,0,1,0|2,0,0]=4 294 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [0,1,0,0,1,0|2,0,0]=4 295 B10R1.13 CN(C)c1ccc(nc1)Br MB00661 [0,1,0,0,1,0|1,0,0]=3 296 B10R1.13 CN(C)c1ccc(nn1)Cl MB02512 [0,1,0,0,1,0|2,0,0]=4 297 B10R1.13 CN(C)c1cnc(cn1)Br AB54253 [0,1,0,0,1,0|2,0,0]=4 298 B10R1.13 CN(C)c1cnc(nc1)Br MB14134 [0,1,0,0,1,0|2,0,0]=4 299 B10R1.13 CN(C)c1cnc(nc1)Cl AB60172 [0,1,0,0,1,0|2,0,0]=4 300 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [0,1,0,0,1,0|1,0,0]=3 301 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [0,1,0,0,1,0|1,0,0]=3 302 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,1,0,0,1,0|1,0,1]=4 303 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [0,1,0,0,1,0|1,0,0]=3 304 B10R1.13 Cc1ccc(cn1)C(F)F AB76728 [0,1,0,0,1,0|2,0,0]=4 305 B10R1.13 c1cc(ncc1C(F)F)Br AB70749 [0,1,0,0,1,0|2,0,0]=4 306 B10R1.13 c1cc(ncc1C(F)F)Cl AB70755 [0,1,0,0,1,0|2,0,0]=4 307 B10R1.13 c1cc(ncc1C(F)F)F AB76727 [0,1,0,0,1,0|2,0,0]=4 308 B10R1.13 c1cc(ncc1C(F)F)N AB74782 [0,1,0,0,1,0|2,0,0]=4 309 B10R1.28 CC(C)(C)c1ccccn1 CB10120 [0,1,0,0,1,0|2,0,0]=4 310 B10R1.28 CC(C)(c1ccccn1)N AB48746 [0,1,0,0,1,0|2,0,0]=4 311 B10R1.28 CC(C)(c1cccnc1)N AB48740 [0,1,0,0,1,0|0,0,0]=2 312 B10R1.28 CC(C)(c1ccncc1)N AB48742 [0,1,0,0,1,0|2,0,0]=4 313 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,1,0,0,1,0|1,0,1]=4 314 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,1,0,0,1,0|1,0,1]=4 315 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,1,0,0,1,0|1,0,1]=4 316 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,1,0,0,1,0|1,0,1]=4 317 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,1,0,0,1,0|1,0,1]=4 318 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,1,0,0,1,0|1,0,1]=4 319 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,1,0,0,1,0|1,0,1]=4 320 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,1,0,0,1,0|2,0,0]=4 321 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [0,1,0,0,1,0|1,0,0]=3 322 B10R1.61 CC(C)c1ccncc1O MB22678 [0,1,0,0,1,0|2,0,0]=4 323 B10R1.61 CC(C)c1cnccc1O MB22684 [0,1,0,0,1,0|0,0,0]=2 324 B10R1.61 CC(C)c1cncnc1Cl AB55647 [0,1,0,0,1,0|1,0,0]=3 325 B10R1.61 CC(c1cccnc1Br)N AB41828 [0,1,0,0,1,0|1,0,0]=3 326 B10R1.61 CC(c1cccnc1Cl)N AB67346 [0,1,0,0,1,0|1,0,0]=3 327 B10R1.61 CC(c1cnccc1Cl)N AB68000 [0,1,0,0,1,0|1,0,0]=3 328 B10R1.61 CN(C)c1c(nccn1)Cl MB12030 [0,1,0,0,1,0|2,0,0]=4 329 B10R1.61 CN(C)c1ccccc1O MB08302 [0,1,0,0,1,0|2,0,0]=4 330 B10R1.61 CN(C)c1cnccc1O MB24989 [0,1,0,0,1,0|1,0,0]=3 331 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,1,0,0,1,0|1,0,1]=4 332 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [0,1,0,0,1,0|0,0,0]=2 333 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [0,1,0,0,1,0|1,0,0]=3 334 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,1,0,0,1,0|1,0,1]=4 335 B10R1.61 Cc1ccncc1C(C)N AB67850 [0,1,0,0,1,0|1,0,0]=3 336 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,1,0,0,1,0|1,0,1]=4 337 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,1,0,0,1,0|1,0,1]=4 338 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,1,0,0,1,0|1,0,1]=4 339 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [0,1,0,0,1,0|2,0,0]=4 340 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [0,1,0,0,1,0|0,0,0]=2 341 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [0,1,0,0,1,0|0,0,0]=2 342 B10R1.113 CC(C)c1cccc(n1)Br MB09496 [0,1,0,0,1,0|2,0,0]=4 343 B10R1.113 CC(C)c1ccnc(c1)Cl MB13722 [0,1,0,0,1,0|2,0,0]=4 344 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [0,1,0,0,1,0|1,0,0]=3 345 B10R1.113 CN(C)c1cc(cnc1)Br MB12044 [0,1,0,0,1,0|1,0,0]=3 346 B10R1.113 CN(C)c1cc(cnc1)O MB24985 [0,1,0,0,1,0|1,0,0]=3 347 B10R1.113 CN(C)c1cncc(n1)Cl AB65245 [0,1,0,0,1,0|2,0,0]=4 348 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [0,1,0,0,1,0|2,0,0]=4 349 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [0,1,0,0,1,0|2,0,0]=4 350 B10R1.113 c1c(cncc1Br)C(F)F AB70752 [0,1,0,0,1,0|2,0,0]=4 351 B10R1.113 c1c(cncc1N)C(F)F AB75499 [0,1,0,0,1,0|2,0,0]=4 352 B10R1.113 c1c(cncc1O)C(F)F AB85525 [0,1,0,0,1,0|2,0,0]=4 353 B10R1.54 CC(C)Cn1cc(nn1)Br AB84618 [0,1,0,0,1,0|2,0,0]=4 354 B10R1.54 CC(C)Oc1nc(cs1)Br MB11615 [0,1,0,0,1,0|2,0,0]=4 355 B10R1.54 CC(C)Oc1ncc(s1)Br MB09632 [0,1,0,0,1,0|2,0,0]=4 356 B10R1.64 CC(C)Cn1c(cnn1)Br AB84623 [0,1,0,0,1,0|2,0,0]=4 357 B10R1.281 CC(C)(CC1=NC=NC1)N AB77407 [0,1,0,0,1,0|1,0,1]=4 358 B10R1.281 CC(C)(Cc1[nH]ccn1)N AB77403 [0,1,0,0,1,0|1,0,0]=3 359 B10R1.281 CC(C)(Cc1ncco1)N AB77412 [0,1,0,0,1,0|1,0,0]=3 360 B10R1.281 CC(C)(Cc1nccs1)N AB54597 [0,1,0,0,1,0|1,0,0]=3 361 B10R1.281 CC(C)(Cc1nnco1)N AB77413 [0,1,0,0,1,0|2,0,0]=4 362 B12R1.21 CN(C)CCc1ccc(cc1)N AB18473 [0,1,0,0,0,1|2,0,0]=4 363 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [0,1,0,0,0,1|1,0,0]=3 364 B12R1.125 CC(C)COc1c(cccn1)Br AB68532 [0,1,0,0,0,1|2,0,0]=4 365 B12R1.226 CC(=O)NCc1cc(cnc1)Br AB68529 [0,1,0,0,0,1|1,0,1]=4 366 B12R1.891 CC(C)(CCc1ccccc1)N AB03652 [0,1,0,0,0,1|1,0,0]=3 367 B12R1.4 CC(C)Cc1cnc(cn1)C=O AB73114 [0,2,0,0,0,0|1,0,0]=3 368 B12R1.4 CC(C)Cc1cnc(cn1)CCl AB73117 [0,2,0,0,0,0|1,0,0]=3 369 B12R1.4 CC(C)Cc1cnc(cn1)CN AB73115 [0,2,0,0,0,0|1,0,0]=3 370 B12R1.4 CC(C)Oc1ccc(cc1)NN AB27890 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.19 CC(C)Oc1ccc(c(c1)Br)O MB23095 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)O MB23097 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.19 CC(C)Oc1ccc(c(c1)F)N AB09448 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.19 CC(C)Oc1ccc(c(c1)F)O MB23076 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.19 CC(C)Oc1ccc(c(c1)I)O MB23080 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.19 CC(C)Oc1ccc(c(c1)N)O MB23087 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.19 CC(C)Oc1ccc(c(c1)O)Br MB23146 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.19 CC(C)Oc1ccc(c(c1)O)Cl MB23153 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.19 CC(C)Oc1ccc(c(c1)O)F MB23035 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.19 CC(C)Oc1ccc(c(c1)O)I MB23037 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.19 CC(C)Oc1ccc(c(c1)O)N MB23047 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.19 Cc1cc(ccc1O)OC(C)C MB23056 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.19 Cc1ccc(cc1O)OC(C)C MB23001 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.20 CN(C)C(=O)c1ccc(nc1)Br MB14271 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N MB00597 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.49 CC(CN)Oc1ccc(cc1)Br AB38871 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.49 CC(CN)Oc1ccc(cc1)Cl AB38863 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.49 CC(CN)Oc1ccc(cc1)F AB12553 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.49 Cc1ccc(cc1)OC(C)CN AB16399 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.49 Cc1ccc(cn1)OC(C)CN AB38918 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O MB00396 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.106 CC(C)(C)Cc1ccc(cc1)O AB16670 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.106 CC(C)(C)Cc1cnc(cn1)Br AB70171 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.106 CC(C)(C)Oc1ccc(nc1)Br MB09482 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.106 CC(C)(C)Oc1ccc(nc1)Cl MB20018 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.106 CC(C)(C)Oc1ccc(nn1)Cl MB02825 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.106 CC(C)(C)Oc1cnc(cn1)Br MB09648 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.106 CC(C)(C)Oc1cnc(cn1)Cl AB50807 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.106 CC(C)(Cc1ccc(cc1)Br)N AB64460 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.106 CC(C)(Cc1ccc(cc1)Cl)N AB02276 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.106 CC(C)(Cc1ccc(cc1)F)N AB03122 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.106 CC(C)(Cc1ccc(cc1)I)N AB68848 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.106 CC(C)(Cc1ccc(cc1)N)N AB68843 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.106 CC(C)(Cc1ccc(cc1)O)N AB07591 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.106 CC(C)(Cc1ccc(nc1)Br)N AB77419 [0,2,0,0,0,0|0,0,0]=2 409 B12R1.106 CC(C)(Cc1ccc(nc1)Cl)N AB77417 [0,2,0,0,0,0|0,0,0]=2 410 B12R1.106 CC(C)(Cc1cnc(nc1)Cl)N AB77450 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.106 Cc1ccc(cc1)CC(C)(C)N AB54574 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.106 c1cc(ncc1CC(F)(F)F)Br AB76752 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.106 c1cc(ncc1CC(F)(F)F)Cl AB63093 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.233 CC(C)Oc1ccc(cc1Br)O MB23132 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.233 CC(C)Oc1ccc(cc1Cl)O MB13560 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.233 CC(C)Oc1ccc(cc1F)O MB23119 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.233 CC(C)Oc1ccc(cc1I)O MB23120 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.233 CC(C)Oc1ccc(cc1N)O MB23121 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.233 CC(C)Oc1ccc(cc1O)Br MB23150 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.233 CC(C)Oc1ccc(cc1O)Cl MB13550 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.233 CC(C)Oc1ccc(cc1O)F MB14580 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.233 CC(C)Oc1ccc(cc1O)I MB23040 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.233 CC(C)Oc1ccc(cc1O)N MB23049 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.233 Cc1cc(ccc1OC(C)C)O MB13553 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.233 Cc1ccc(c(c1)O)OC(C)C MB13554 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.124 CN(C)C(=O)c1cnccc1O MB24550 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.225 CN(C)C(=O)c1cc(cnc1)Br MB02048 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.225 CN(C)C(=O)c1cc(cnc1)O MB24547 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.225 C[C@@H](c1cccc(c1)O)N(C)C MB03878 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.478 CN(C)C(C#N)c1ccccc1 MB00227 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.478 CN(C)C(C#N)c1cccnc1 MB08463 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.564 c1cc(cnc1)C(C(F)(F)F)N AB28542 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.564 c1cc(cnc1)[C@@H](C(F)(F)F)N AB28546 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.32 CN(CCN)Cc1ccccc1 MB02567 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.50 CC(CN)Oc1cccc(c1)Br AB38868 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.50 CC(CN)Oc1cccc(c1)Cl AB38860 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.50 CC(CN)Oc1cccc(c1)F AB23638 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.50 Cc1cccc(c1)OC(C)CN AB23642 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.371 CC(CN)Oc1ccccc1Br AB38866 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.371 CC(CN)Oc1ccccc1Cl AB16403 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.371 CC(CN)Oc1ccccc1F AB23635 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.371 COC(=O)Cc1cccnc1Cl AB76392 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.371 Cc1ccccc1OC(C)CN AB23640 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.75 CC(Cc1ccccc1OC)N MB01561 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.127 CC(C)Oc1cc(ccc1Br)O MB22969 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.127 CC(C)Oc1cc(ccc1Cl)O MB22972 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.127 CC(C)Oc1cc(ccc1F)O MB22948 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.127 CC(C)Oc1cc(ccc1I)O MB22951 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.127 CC(C)Oc1cc(ccc1N)F AB09449 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.127 CC(C)Oc1cc(ccc1N)O MB22955 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.127 CC(C)Oc1cc(ccc1O)Br MB22976 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.127 CC(C)Oc1cc(ccc1O)Cl MB22977 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.127 CC(C)Oc1cc(ccc1O)F MB22871 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.127 CC(C)Oc1cc(ccc1O)I MB22873 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.127 CC(C)Oc1cc(ccc1O)N MB22877 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.127 CN(C)Cc1cc(ccc1Br)O AB25672 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.127 Cc1ccc(c(c1)OC(C)C)O MB22829 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.127 Cc1ccc(cc1OC(C)C)O MB22921 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.151 CC(C)(C)Oc1c(nccn1)Cl MB13979 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.151 CC(C)(C)Oc1ccccc1O MB22200 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.151 CC(C)(C)Oc1cccnc1Br MB20008 [0,2,0,0,0,0|1,0,0]=3 462 B12R1.151 CC(C)(C)Oc1cccnc1Cl MB20010 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.151 CC(C)(C)Oc1cnccc1Br MB20009 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.151 CC(C)(C)Oc1cnccc1Cl MB20014 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.151 CC(C)(C)Oc1cnccc1O MB22206 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.151 CC(C)(C)Sc1cccnc1N PB18676 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.151 CC(C)(C)Sc1cnccc1N AB25863 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.151 CC(C)(Cc1ccccc1Br)N AB64466 [0,2,0,0,0,0|1,0,0]=3 469 B12R1.151 CC(C)(Cc1ccccc1Cl)N AB07476 [0,2,0,0,0,0|1,0,0]=3 470 B12R1.151 CC(C)(Cc1ccccc1F)N AB54578 [0,2,0,0,0,0|1,0,0]=3 471 B12R1.151 CC(C)(Cc1ccccc1N)N AB68846 [0,2,0,0,0,0|1,0,0]=3 472 B12R1.224 CC(C)Oc1cccc(c1Br)O MB23236 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.224 CC(C)Oc1cccc(c1Cl)O MB23238 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.224 CC(C)Oc1cccc(c1F)O MB23211 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.224 CC(C)Oc1cccc(c1I)O MB23215 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.224 CC(C)Oc1cccc(c1N)O MB23219 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.224 CC(C)Oc1cccc(c1O)Br MB04729 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.224 CC(C)Oc1cccc(c1O)Cl MB23245 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.224 CC(C)Oc1cccc(c1O)F MB23178 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.224 CC(C)Oc1cccc(c1O)I MB23180 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.224 CC(C)Oc1cccc(c1O)N MB23185 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.224 Cc1c(cccc1OC(C)C)O MB09429 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.224 Cc1cccc(c1O)OC(C)C MB23167 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.1009 CC(C)Oc1c(cccc1Br)O MB12055 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.1009 CC(C)Oc1c(cccc1Cl)O MB22820 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.1009 CC(C)Oc1c(cccc1F)O MB22807 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.1009 CC(C)Oc1c(cccc1I)O MB22810 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.1009 CC(C)Oc1c(cccc1O)N MB22781 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.1009 Cc1cccc(c1OC(C)C)O MB22780 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.101 CC(C)Oc1cc(cc(c1)Br)O MB12058 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)O MB22919 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.101 CC(C)Oc1cc(cc(c1)F)O MB22905 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.101 CC(C)Oc1cc(cc(c1)I)O MB22908 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.101 CC(C)Oc1cc(cc(c1)O)N MB22874 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.101 Cc1cc(cc(c1)OC(C)C)O MB22827 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.119 CC(C)(C)Oc1cc(cnc1)Br MB13769 [0,2,0,0,0,0|1,0,0]=3 497 B12R1.119 CC(C)(C)Oc1cc(cnc1)Cl MB20017 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.119 CC(C)(C)Oc1cc(cnc1)O MB22205 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.119 CC(C)(C)Oc1cccc(c1)O MB22165 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.119 CC(C)(Cc1cccc(c1)Br)N AB64464 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.119 CC(C)(Cc1cccc(c1)Cl)N AB54586 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.119 CC(C)(Cc1cccc(c1)F)N AB64463 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.119 CC(C)(Cc1cccc(c1)I)N AB68849 [0,2,0,0,0,0|1,0,0]=3 504 B12R1.119 CC(C)(Cc1cccc(c1)N)N AB68844 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.119 CC(C)(Cc1cccc(c1)O)N AB68838 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.119 CC(C)(Cc1cccc(n1)Br)N AB77430 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.119 CC(C)(Cc1cccc(n1)Cl)N AB77427 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.119 CC(C)(Cc1ccnc(c1)Br)N AB77423 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.119 CC(C)(Cc1ccnc(c1)Cl)N AB77422 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.119 Cc1cccc(c1)CC(C)(C)N AB54571 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.119 c1c(cncc1Br)CC(F)(F)F AB76751 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.438 CC(Cc1cccc(c1)OC)N MB01562 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.438 C[C@@H](Cc1cccc(c1)OC)N AB76439 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.438 C[C@H](Cc1cccc(c1)OC)N AB76426 [0,2,0,0,0,0|2,0,0]=4 515 B10R2.7 c1c2c(ncn1)CNC2 PB18873 [1,0,0,1,0,0|2,0,0]=4 516 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [1,0,0,1,0,0|2,0,0]=4 517 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [1,0,0,1,0,0|1,0,0]=3 518 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|1,0,0]=3 519 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|2,0,0]=4 520 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [1,0,0,1,0,0|2,0,0]=4 521 B10R2.7 c1cnc2c(n1)CNC2 AB65657 [1,0,0,1,0,0|2,0,0]=4 522 B10R2.7 c1cncc2=CCN=c21 PB12213 [1,0,0,1,0,0|1,0,1]=4 523 B10R2.7 c1cncc2=NCC=c21 PB21773 [1,0,0,1,0,0|1,0,1]=4 524 B10R2.7 c1cncc2c1CNC2 AB30511 [1,0,0,1,0,0|1,0,0]=3 525 B10R2.7 c1cncc2c1CNC2 PB24193 [1,0,0,1,0,0|1,0,0]=3 526 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [0,0,0,1,0,1|2,0,0]=4 527 B12R2.22 c1ccc(cc1)N2CC(C2)O PB37862 [0,0,0,1,0,1|2,0,0]=4 528 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [0,0,0,1,0,1|2,0,0]=4 529 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [0,0,0,1,0,1|2,0,0]=4 530 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,1,0,1|2,0,0]=4 531 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,0,0,1,0,1|2,0,0]=4 532 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,0,0,1,0,1|1,0,0]=3 533 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,0,0,1,0,1|1,0,0]=3 534 B12R2.24 c1c2c(ncn1)CC(CC2)N AB61113 [0,0,0,1,0,1|2,0,0]=4 535 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,0,0,1,0,1|1,0,1]=4 536 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,0,0,1,0,1|2,0,0]=4 537 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,0,0,1,0,1|2,0,0]=4 538 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,1,0,1|2,0,0]=4 539 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,0,0,1,0,1|2,0,0]=4 540 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,0,0,1,0,1|2,0,0]=4 541 B12R2.24 c1cncc2c1CC(=O)NC2 AB64881 [0,0,0,1,0,1|1,0,1]=4 542 B12R2.2057 c1cc(cnc1)OCC2CC2 MB19960 [0,0,0,1,0,1|0,0,0]=2 543 B12R2.2057 c1cc(cnc1)\C=N\C2CC2 MB69367 [0,0,0,1,0,1|0,0,1]=3 544 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [0,0,0,1,0,1|1,0,0]=3 545 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [0,0,0,1,0,1|1,0,0]=3 546 B12R2.79 Cc1ccc(cc1)[C@@H]2C[C@H]2N MB69375 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.79 c1cc(ccc1[C@@H]2C[C@H]2N)F MB69383 [0,1,0,1,0,0|2,0,0]=4 548 B12R2.294 Cc1ccc(cc1)OC2CC2 MB35889 [0,1,0,1,0,0|2,0,0]=4 549 B12R2.294 Cc1ccc(cn1)OC2CC2 MB34620 [0,1,0,1,0,0|1,0,0]=3 550 B12R2.294 c1c(cnc(n1)Br)NC2CC2 MB14140 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.294 c1c(ncc(n1)Br)NC2CC2 MB11617 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.294 c1c(ncc(n1)Br)OC2CC2 MB13898 [0,1,0,1,0,0|2,0,0]=4 553 B12R2.294 c1cc(ccc1N)OC2CC2 MB11809 [0,1,0,1,0,0|2,0,0]=4 554 B12R2.294 c1cc(ccc1O)OC2CC2 MB20165 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.294 c1cc(ccc1OC2CC2)Br MB06312 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.294 c1cc(ccc1OC2CC2)Cl MB49590 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.294 c1cc(ccc1OC2CC2)F MB37870 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.294 c1cc(ccc1OC2CC2)I MB25540 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.294 c1cc(ncc1NC2CC2)Br MB13798 [0,1,0,1,0,0|1,0,0]=3 560 B12R2.294 c1cc(ncc1OC2CC2)Br MB14106 [0,1,0,1,0,0|1,0,0]=3 561 B12R2.294 c1cc(ncc1OC2CC2)Cl MB30047 [0,1,0,1,0,0|1,0,0]=3 562 B12R2.294 c1cc(ncc1OC2CC2)F MB37475 [0,1,0,1,0,0|1,0,0]=3 563 B12R2.294 c1cc(ncc1OC2CC2)I MB32565 [0,1,0,1,0,0|1,0,0]=3 564 B12R2.294 c1cc(ncc1OC2CC2)N MB50371 [0,1,0,1,0,0|1,0,0]=3 565 B12R2.294 c1cc(nnc1NC2CC2)Cl MB07686 [0,1,0,1,0,0|2,0,0]=4 566 B12R2.294 c1cc(nnc1OC2CC2)Cl MB13918 [0,1,0,1,0,0|2,0,0]=4 567 B12R2.606 c1cc2c(cc1Br)CC(C2)N AB22071 [0,1,0,1,0,0|2,0,0]=4 568 B12R2.606 c1cc2c(cc1Br)CC(C2)N AB55794 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.606 c1cc2c(cc1Br)CC(C2)O AB66019 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.606 c1cc2c(cc1Cl)CC(C2)N AB69974 [0,1,0,1,0,0|2,0,0]=4 571 B12R2.606 c1cc2c(cc1F)CC(C2)N AB43712 [0,1,0,1,0,0|2,0,0]=4 572 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.235 c1ccc(cc1)[C@@]2(C[C@@H]2F)N MB69379 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.235 c1ccc(cc1)[C@@]2(C[C@H]2N)F MB69387 [0,1,0,1,0,0|2,0,0]=4 575 B12R2.2075 c1ccc(cc1)C(C2CC2)N CB10839 [0,1,0,1,0,0|1,0,0]=3 576 B12R2.32 c1ccc2c(c1)CC(C2)CN AB18567 [0,1,0,1,0,0|1,0,0]=3 577 B12R2.32 c1ccc2c(c1)CC(C2)CO MB05939 [0,1,0,1,0,0|1,0,0]=3 578 B12R2.2058 c1cc(cnc1)OC2CNC2 MB07297 [0,1,0,1,0,0|1,0,0]=3 579 B12R2.2058 c1ccc(cc1)OC2CNC2 PB16142 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.95 CC1(Cc2ccccc2N1)C AB70011 [0,1,0,1,0,0|1,0,0]=3 581 B12R2.202 CC1C=C2C(=CC=NC2=O)S1 AB63937 [0,1,0,1,0,0|1,0,1]=4 582 B12R2.202 CN1Cc2cccc(c2C1)N MB08489 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.202 c1cc2c(c(c1)Br)CC(C2)N AB69977 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.202 c1cc2c(c(c1)Cl)CC(C2)N AB69973 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.225 Cc1c(cccn1)OC2CC2 MB33626 [0,1,0,1,0,0|1,0,0]=3 586 B12R2.225 Cc1ccccc1OC2CC2 MB25701 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.225 Cc1ccncc1OC2CC2 MB48423 [0,1,0,1,0,0|1,0,0]=3 588 B12R2.225 c1cc(c(nc1)Br)OC2CC2 MB19988 [0,1,0,1,0,0|1,0,0]=3 589 B12R2.225 c1cc(c(nc1)Cl)OC2CC2 MB19980 [0,1,0,1,0,0|1,0,0]=3 590 B12R2.225 c1cc(c(nc1)F)OC2CC2 MB36392 [0,1,0,1,0,0|1,0,0]=3 591 B12R2.225 c1cc(c(nc1)I)OC2CC2 MB26956 [0,1,0,1,0,0|1,0,0]=3 592 B12R2.225 c1cc(c(nc1)N)OC2CC2 MB48639 [0,1,0,1,0,0|1,0,0]=3 593 B12R2.225 c1ccc(c(c1)N)OC2CC2 MB20137 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.225 c1ccc(c(c1)O)OC2CC2 MB06816 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.225 c1ccc(c(c1)OC2CC2)Br MB25567 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.225 c1ccc(c(c1)OC2CC2)Cl MB36032 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.225 c1ccc(c(c1)OC2CC2)F MB26509 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.225 c1ccc(c(c1)OC2CC2)I MB32394 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.225 c1cnc(c(n1)NC2CC2)Cl MB13986 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.225 c1cnc(c(n1)OC2CC2)Cl MB13982 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.225 c1cncc(c1Br)OC2CC2 MB34228 [0,1,0,1,0,0|1,0,0]=3 602 B12R2.225 c1cncc(c1Cl)OC2CC2 MB29114 [0,1,0,1,0,0|1,0,0]=3 603 B12R2.225 c1cncc(c1F)OC2CC2 MB36152 [0,1,0,1,0,0|1,0,0]=3 604 B12R2.225 c1cncc(c1I)OC2CC2 MB47997 [0,1,0,1,0,0|1,0,0]=3 605 B12R2.225 c1cncc(c1N)OC2CC2 MB33178 [0,1,0,1,0,0|1,0,0]=3 606 B12R2.1286 Cc1cccc(c1)OC2CC2 MB37981 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.1286 c1c(cncc1Br)NC2CC2 MB14253 [0,1,0,1,0,0|1,0,0]=3 608 B12R2.1286 c1c(cncc1Br)OC2CC2 MB13784 [0,1,0,1,0,0|1,0,0]=3 609 B12R2.1286 c1c(cncc1Cl)OC2CC2 MB19984 [0,1,0,1,0,0|1,0,0]=3 610 B12R2.1286 c1c(nc(cn1)Cl)NC2CC2 MB07688 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.1286 c1c(nc(cn1)Cl)OC2CC2 MB13895 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.1286 c1cc(cc(c1)Br)OC2CC2 MB25628 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.1286 c1cc(cc(c1)Cl)OC2CC2 MB35340 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.1286 c1cc(cc(c1)F)OC2CC2 MB25673 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.1286 c1cc(cc(c1)I)OC2CC2 MB38226 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.1286 c1cc(cc(c1)OC2CC2)N MB11814 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.1286 c1cc(cc(c1)OC2CC2)O MB20161 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.1286 c1cc(cc(c1)S)OC2CC2 MB20192 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.8 CNCc1cccs1 AB13997 [1,0,0,0,1,0|2,0,0]=4 620 B8R1.8 CNCc1ccno1 AB27949 [1,0,0,0,1,0|2,0,0]=4 621 B8R1.8 CNCc1ccon1 AB27911 [1,0,0,0,1,0|2,0,0]=4 622 B8R1.8 CNCc1ccon1 AB27912 [1,0,0,0,1,0|2,0,0]=4 623 B8R1.8 CNCc1cncs1 AB27956 [1,0,0,0,1,0|2,0,0]=4 624 B8R1.8 CNCc1cnsc1 AB74097 [1,0,0,0,1,0|2,0,0]=4 625 B8R1.8 CNCc1cocn1 AB63386 [1,0,0,0,1,0|2,0,0]=4 626 B8R1.8 CNCc1cscn1 AB27945 [1,0,0,0,1,0|2,0,0]=4 627 B8R1.8 CNCc1cscn1 AB27947 [1,0,0,0,1,0|2,0,0]=4 628 B8R1.8 CNCc1nccs1 AB12715 [1,0,0,0,1,0|2,0,0]=4 629 B8R1.8 COCc1[nH]ccn1 PB20902 [1,0,0,0,1,0|2,0,0]=4 630 B8R1.8 c1c(con1)CCN AB28074 [1,0,0,0,1,0|2,0,0]=4 631 B8R1.8 c1c(con1)CCO AB22774 [1,0,0,0,1,0|2,0,0]=4 632 B8R1.8 c1c(ncs1)CCN AB45423 [1,0,0,0,1,0|2,0,0]=4 633 B8R1.8 c1cc(sc1)CCN PB12982 [1,0,0,0,1,0|2,0,0]=4 634 B8R1.8 c1cc(sc1)CCO PB32074 [1,0,0,0,1,0|2,0,0]=4 635 B8R1.8 c1ccn(c1)CCBr MB00850 [1,0,0,0,1,0|2,0,0]=4 636 B8R1.8 c1cn(cn1)CCN AB13191 [1,0,0,0,1,0|2,0,0]=4 637 B8R1.8 c1cnn(c1)CCN AB15836 [1,0,0,0,1,0|2,0,0]=4 638 B8R1.8 c1csc(n1)CCN AB28436 [1,0,0,0,1,0|2,0,0]=4 639 B8R1.8 c1csc(n1)CCN AB43209 [1,0,0,0,1,0|2,0,0]=4 640 B8R1.8 c1cscc1CCN PB24618 [1,0,0,0,1,0|2,0,0]=4 641 B8R1.8 c1cscc1CCO PB25903 [1,0,0,0,1,0|2,0,0]=4 642 B8R1.7 CC(c1ccno1)N AB27932 [0,0,0,0,2,0|2,0,0]=4 643 B8R1.7 CC(c1ccoc1)N AB27902 [0,0,0,0,2,0|2,0,0]=4 644 B8R1.7 CC(c1ccoc1)N AB66830 [0,0,0,0,2,0|2,0,0]=4 645 B8R1.7 CC(c1cscn1)N AB27900 [0,0,0,0,2,0|2,0,0]=4 646 B8R1.7 CC(c1nccs1)N AB12719 [0,0,0,0,2,0|2,0,0]=4 647 B8R1.7 C[C@@H](c1nccs1)N AB66719 [0,0,0,0,2,0|2,0,0]=4 648 B8R1.7 C[C@H](c1nccs1)N AB68275 [0,0,0,0,2,0|2,0,0]=4