0 B8R1.8 C1C=CC=C1CC#N 44131 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.8 CCCc1ccco1 B21703 [0,0,0,0,0,0|1,1,0]=2 2 B8R1.8 CCCc1cccs1 L03052 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.8 CCCc1nccs1 A11574 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.8 CSCc1ccco1 B21691 [0,0,0,0,0,0|2,1,0]=3 5 B8R1.8 c1c(nc[nH]1)CC#N H32992 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.8 c1c(nc[nH]1)CCN L09198 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.8 c1cc([nH]c1)\C=N\O L18959 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.8 c1cc(sc1)CC#N A15047 [0,0,0,0,0,0|0,0,2]=2 9 B8R1.8 c1cc(sc1)CCN A10920 [0,0,0,0,0,0|0,0,0]=0 10 B8R1.8 c1cc(sc1)CCO B21562 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.8 c1cc(sc1)\C=N\O L10961 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.8 c1cscc1CC#N A12805 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.8 c1cscc1CCO L15138 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.8 c1ncn(n1)CCN H35442 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 C1C=CC=C1C=O 39254 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 C1C=CC=C1C=O 44292 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.1 C1C=CC=C1CO 39257 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.1 C=CC1=CC=CC1 17450 [1,0,0,0,0,0|1,0,2]=4 19 B7R1.1 CCC1=CC=CC1 39253 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.1 CCC1=CC=CC1 H27592 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.1 CCC1=CC=CC1 H27618 [1,0,0,0,0,0|1,0,0]=2 22 B7R1.1 CCC1=CC=CC1 H27769 [1,0,0,0,0,0|1,0,0]=2 23 B7R1.1 CCc1[nH]ccn1 B24090 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.1 CCc1ccco1 A15520 [1,0,0,0,0,0|0,1,0]=2 25 B7R1.1 CCc1cccs1 A13372 [1,0,0,0,0,0|0,0,0]=1 26 B7R1.1 COc1ccco1 A15593 [1,0,0,0,0,0|1,1,0]=3 27 B7R1.1 COc1cccs1 A10455 [1,0,0,0,0,0|1,0,0]=2 28 B7R1.1 COc1ccsc1 B21940 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 COc1nccs1 B25655 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.1 CSc1c[nH]cn1 H63990 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 CSc1cccs1 A11763 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.1 CSc1nccs1 B25137 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.1 C[Mn]C1=CC=CC1 47125 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.1 c1c(nc[nH]1)CO L20182 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 c1c(scn1)C=O H60138 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.1 c1cc([nH]c1)C#N L15330 [1,0,0,0,0,0|1,0,2]=4 37 B7R1.1 c1cc([nH]c1)C=O A12838 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.1 c1cc(oc1)C#N A12214 [1,0,0,0,0,0|0,1,2]=4 39 B7R1.1 c1cc(oc1)C=O 31305 [1,0,0,0,0,0|1,1,1]=4 40 B7R1.1 c1cc(oc1)C=O A16167 [1,0,0,0,0,0|1,1,1]=4 41 B7R1.1 c1cc(oc1)CN B23975 [1,0,0,0,0,0|0,1,0]=2 42 B7R1.1 c1cc(oc1)CO A10968 [1,0,0,0,0,0|1,1,0]=3 43 B7R1.1 c1cc(oc1)CS B22380 [1,0,0,0,0,0|1,1,0]=3 44 B7R1.1 c1cc(sc1)C#N A11930 [1,0,0,0,0,0|0,0,2]=3 45 B7R1.1 c1cc(sc1)C=O A14344 [1,0,0,0,0,0|1,0,1]=3 46 B7R1.1 c1cc(sc1)CN A11700 [1,0,0,0,0,0|0,0,0]=1 47 B7R1.1 c1cc(sc1)CO A15768 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.1 c1csc(n1)C#N H63425 [1,0,0,0,0,0|1,0,2]=4 49 B7R1.1 c1csc(n1)C=O H63329 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.1 c1cscc1CBr H61497 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 c1cscc1CN H61487 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 c1cscc1CO L01935 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.7 CCCc1cc(n[nH]1)N H50969 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.7 CCCc1cc(n[nH]1)N H51024 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.7 c1cc(sc1\C=N\O)Br B24968 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.11 CC(c1cccs1)NC H51109 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.11 CCC(=O)c1ccco1 H26754 [0,1,0,0,0,0|1,1,1]=4 59 B9R1.11 CCC(=O)c1cccs1 L02318 [0,1,0,0,0,0|1,0,1]=3 60 B9R1.11 CCC(=O)c1nccs1 B21711 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.11 CCC(C)c1nccs1 A13483 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.11 COC(=O)c1cccs1 A12677 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.11 c1cc(oc1)C(=O)NN A13630 [0,1,0,0,0,0|1,1,1]=4 64 B9R1.11 c1cc(sc1)C(=O)CBr H51060 [0,1,0,0,0,0|1,0,1]=3 65 B9R1.11 c1cc(sc1)C(=O)NN A11270 [0,1,0,0,0,0|1,0,1]=3 66 B9R1.11 c1cc(sc1)\C(=N\O)\N H54658 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.12 CCCCC1=CC=CC1 H27576 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.12 CCCCC1=CCC=C1 A16719 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.12 CCCCc1ccco1 A13376 [0,1,0,0,0,0|1,1,0]=3 70 B9R1.12 CCCCc1cccs1 A12740 [0,1,0,0,0,0|1,0,0]=2 71 B9R1.12 CCCCc1ccsc1 H55795 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.12 c1cc(oc1)CN=C=S A19410 [0,1,0,0,0,0|1,1,1]=4 73 B9R1.12 c1cn(cn1)CCCN A14169 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.13 CC(=O)Cc1ccco1 B22171 [0,1,0,0,0,0|1,1,1]=4 75 B9R1.13 CC(C)Cc1nccs1 A13759 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.13 CN(C)CC1=CC=CC1 L07915 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.13 c1cc(sc1)CC(=O)Cl L09323 [0,1,0,0,0,0|1,0,1]=3 78 B9R1.13 c1cc(sc1)CC(=O)N L19221 [0,1,0,0,0,0|0,0,1]=2 79 B9R1.13 c1cc(sc1)CC(=O)O A10394 [0,1,0,0,0,0|1,0,1]=3 80 B9R1.13 c1cc(sc1)CC(=S)N H58178 [0,1,0,0,0,0|0,0,1]=2 81 B9R1.33 Cc1c(scn1)CCO A13567 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.33 c1cnn(c1N)CCO H66066 [0,1,0,0,0,0|3,0,0]=4 83 B9R2.2 c1c[nH]nc1C2CC2 H64069 [0,0,0,1,0,0|3,0,0]=4 84 B9R2.3 c1csc2c1scc2 H30637 [0,0,0,1,0,0|1,0,2]=4 85 B9R1.8 C#CCc1ccccc1 H53500 [0,0,0,0,0,1|2,0,1]=4 86 B9R1.8 C1CCC(=CC1)CCN L08261 [0,0,0,0,0,1|1,0,2]=4 87 B9R1.8 C=CCc1ccccc1 A12965 [0,0,0,0,0,1|2,0,1]=4 88 B9R1.8 CCCc1ccccc1 B21468 [0,0,0,0,0,1|2,0,0]=3 89 B9R1.8 CCNc1ccccc1 A15060 [0,0,0,0,0,1|3,0,0]=4 90 B9R1.8 CCOc1ccccc1 A15501 [0,0,0,0,0,1|3,0,0]=4 91 B9R1.8 CCOc1ccccn1 L05649 [0,0,0,0,0,1|3,0,0]=4 92 B9R1.8 CCOc1cnccn1 B25219 [0,0,0,0,0,1|3,0,0]=4 93 B9R1.8 CCSc1ccccc1 A13987 [0,0,0,0,0,1|3,0,0]=4 94 B9R1.8 CNCc1ccccc1 A13746 [0,0,0,0,0,1|3,0,0]=4 95 B9R1.8 CNCc1cccnc1 H50262 [0,0,0,0,0,1|3,0,0]=4 96 B9R1.8 COCc1ccccc1 B23490 [0,0,0,0,0,1|3,0,0]=4 97 B9R1.8 c1cc(cnc1)CC#N B24964 [0,0,0,0,0,1|1,0,2]=4 98 B9R1.8 c1cc(cnc1)CCN L16311 [0,0,0,0,0,1|1,0,0]=2 99 B9R1.8 c1ccc(cc1)CC#N A10694 [0,0,0,0,0,1|1,0,2]=4 100 B9R1.8 c1ccc(cc1)CC=O A14263 [0,0,0,0,0,1|2,0,1]=4 101 B9R1.8 c1ccc(cc1)CCBr A12528 [0,0,0,0,0,1|2,0,0]=3 102 B9R1.8 c1ccc(cc1)CCCl L04891 [0,0,0,0,0,1|2,0,0]=3 103 B9R1.8 c1ccc(cc1)CCN A13402 [0,0,0,0,0,1|1,0,0]=2 104 B9R1.8 c1ccc(cc1)CCO A15241 [0,0,0,0,0,1|2,0,0]=3 105 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [0,0,0,0,0,1|2,0,0]=3 106 B9R1.8 c1ccc(cc1)CNN H54916 [0,0,0,0,0,1|2,0,0]=3 107 B9R1.8 c1ccc(cc1)CON A17393 [0,0,0,0,0,1|2,0,0]=3 108 B9R1.8 c1ccc(cc1)CON L13601 [0,0,0,0,0,1|2,0,0]=3 109 B9R1.8 c1ccnc(c1)CC#N A13087 [0,0,0,0,0,1|1,0,2]=4 110 B9R1.8 c1ccnc(c1)CCN L05627 [0,0,0,0,0,1|1,0,0]=2 111 B9R1.8 c1ccnc(c1)CCO B23579 [0,0,0,0,0,1|2,0,0]=3 112 B9R1.8 c1cnc(cn1)CCS A13045 [0,0,0,0,0,1|2,0,0]=3 113 B9R1.8 c1cnccc1CC#N B25095 [0,0,0,0,0,1|1,0,2]=4 114 B9R1.8 c1cnccc1CC#N H64588 [0,0,0,0,0,1|1,0,2]=4 115 B9R1.8 c1cnccc1CCN H27545 [0,0,0,0,0,1|1,0,0]=2 116 B9R1.8 c1cnccc1CCO L13780 [0,0,0,0,0,1|2,0,0]=3 117 B6R0.6 CCC\C=C\C=O A11513 [1,0,1,0,0,0|0,1,1]=4 118 B6R0.6 C\C=C\C=C\C=O A13200 [1,0,1,0,0,0|0,1,1]=4 119 B6R0.6 C\C=C\C=C\CO A12660 [1,0,1,0,0,0|2,0,0]=4 120 B6R0.1 CCC(=O)OC=C L12931 [1,0,1,0,0,0|1,1,0]=4 121 B6R0.1 CCC(=O)\C=C\C H27445 [1,0,1,0,0,0|0,1,1]=4 122 B6R0.1 CCCC(=O)C=C L07660 [1,0,1,0,0,0|1,1,0]=4 123 B6R1.2 C1C=CC=C1Br L17045 [2,0,0,0,0,0|2,0,0]=4 124 B6R1.2 C1C=CC=C1[Co] 23136 [2,0,0,0,0,0|2,0,0]=4 125 B6R1.2 C1C=CC=C1[Mn] 38606 [2,0,0,0,0,0|2,0,0]=4 126 B6R1.2 C1C=CC=C1[Mo+4] 40522 [2,0,0,0,0,0|2,0,0]=4 127 B6R1.2 C1C=CC=C1[Nb+4] 39246 [2,0,0,0,0,0|2,0,0]=4 128 B6R1.2 C1C=CC=C1[Re] 33655 [2,0,0,0,0,0|2,0,0]=4 129 B6R1.2 C1C=CC=C1[Ti+3] 77134 [2,0,0,0,0,0|2,0,0]=4 130 B6R1.2 C1C=CC=C1[Tl] 13958 [2,0,0,0,0,0|2,0,0]=4 131 B6R1.2 C1C=CC=C1[V] 81123 [2,0,0,0,0,0|2,0,0]=4 132 B6R1.2 C1C=CC=C1[Zr+3] 20617 [2,0,0,0,0,0|2,0,0]=4 133 B6R1.2 CC1=CC=CC1 H27241 [2,0,0,0,0,0|1,0,0]=3 134 B6R1.2 CC1=CCC=C1 H27464 [2,0,0,0,0,0|1,0,1]=4 135 B6R1.2 Cc1[nH]ccn1 A17063 [2,0,0,0,0,0|2,0,0]=4 136 B6R1.2 Cc1c[nH]cn1 B24139 [2,0,0,0,0,0|2,0,0]=4 137 B6R1.2 Cc1c[nH]cn1 L20184 [2,0,0,0,0,0|2,0,0]=4 138 B6R1.2 Cc1cc[nH]n1 L01618 [2,0,0,0,0,0|2,0,0]=4 139 B6R1.2 Cc1ccco1 B23692 [2,0,0,0,0,0|0,1,0]=3 140 B6R1.2 Cc1cccs1 A12736 [2,0,0,0,0,0|0,0,0]=2 141 B6R1.2 Cc1ccsc1 A13394 [2,0,0,0,0,0|2,0,0]=4 142 B6R1.2 Cc1cncs1 L15879 [2,0,0,0,0,0|1,0,0]=3 143 B6R1.2 Cc1cscn1 A15428 [2,0,0,0,0,0|2,0,0]=4 144 B6R1.2 Cn1cccc1 B21451 [2,0,0,0,0,0|2,0,0]=4 145 B6R1.2 Cn1cccn1 L14831 [2,0,0,0,0,0|2,0,0]=4 146 B6R1.2 c1c(scn1)Br H55387 [2,0,0,0,0,0|2,0,0]=4 147 B6R1.2 c1c[nH]nc1N A14458 [2,0,0,0,0,0|2,0,0]=4 148 B6R1.2 c1cc(oc1)Br H63218 [2,0,0,0,0,0|1,1,0]=4 149 B6R1.2 c1cc(sc1)Br A11959 [2,0,0,0,0,0|1,0,0]=3 150 B6R1.2 c1cc(sc1)Cl A10390 [2,0,0,0,0,0|1,0,0]=3 151 B6R1.2 c1cc(sc1)I A12898 [2,0,0,0,0,0|1,0,0]=3 152 B6R1.2 c1cc(sc1)S B22642 [2,0,0,0,0,0|1,0,0]=3 153 B6R1.2 c1cc(sc1)[Zn+] H58397 [2,0,0,0,0,0|1,0,0]=3 154 B6R1.2 c1cnc([nH]1)N H25999 [2,0,0,0,0,0|2,0,0]=4 155 B6R1.2 c1coc(n1)N H34360 [2,0,0,0,0,0|1,1,0]=4 156 B6R1.2 c1csc(n1)Br A14838 [2,0,0,0,0,0|2,0,0]=4 157 B6R1.2 c1csc(n1)Cl H50155 [2,0,0,0,0,0|2,0,0]=4 158 B6R1.2 c1csc(n1)N A12026 [2,0,0,0,0,0|1,0,0]=3 159 B6R1.2 c1csc(n1)N H65068 [2,0,0,0,0,0|1,0,0]=3 160 B6R1.2 c1csc(n1)S L07058 [2,0,0,0,0,0|2,0,0]=4 161 B6R1.2 c1csc(n1)[Zn+] H58497 [2,0,0,0,0,0|2,0,0]=4 162 B6R1.2 c1nnc(s1)N L01244 [2,0,0,0,0,0|2,0,0]=4 163 B8R0.4 CCC\C=C\C=C\CO A16820 [0,1,1,0,0,0|1,1,0]=4 164 B8R1.1 CCc1[nH]cc(n1)C A15798 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.1 CCc1cc(n[nH]1)N H50782 [1,1,0,0,0,0|2,0,0]=4 166 B8R1.1 CCc1cc(n[nH]1)N H51026 [1,1,0,0,0,0|2,0,0]=4 167 B8R1.1 CCc1ccc(s1)C B22640 [1,1,0,0,0,0|0,0,0]=2 168 B8R1.1 CCc1nc(cs1)C A15642 [1,1,0,0,0,0|1,0,0]=3 169 B8R1.1 CCc1nnc(s1)N L06915 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.1 Cc1ccc(o1)SC B21998 [1,1,0,0,0,0|1,1,0]=4 171 B8R1.1 Cc1ccc(s1)C=O A11119 [1,1,0,0,0,0|1,0,1]=4 172 B8R1.1 c1c(csc1C=O)Br A13304 [1,1,0,0,0,0|1,0,1]=4 173 B8R1.1 c1cc(sc1C=O)Br A13381 [1,1,0,0,0,0|1,0,1]=4 174 B8R1.1 c1cc(sc1C=O)Cl B22833 [1,1,0,0,0,0|1,0,1]=4 175 B8R1.1 c1cc(sc1CCl)Cl H54361 [1,1,0,0,0,0|1,0,0]=3 176 B8R1.1 c1cc(sc1CO)Br H61493 [1,1,0,0,0,0|1,0,0]=3 177 B8R1.7 B(c1cccs1)(O)O B23071 [1,1,0,0,0,0|2,0,0]=4 178 B8R1.7 CC(=C1C=CC=C1)C B21826 [1,1,0,0,0,0|1,0,1]=4 179 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [1,1,0,0,0,0|1,0,1]=4 180 B8R1.7 CC(=O)c1ccco1 A14938 [1,1,0,0,0,0|0,1,1]=4 181 B8R1.7 CC(=O)c1cccs1 A13062 [1,1,0,0,0,0|0,0,1]=3 182 B8R1.7 CC(=O)c1nccs1 A11266 [1,1,0,0,0,0|1,0,1]=4 183 B8R1.7 CC(C)c1[nH]ccn1 A13307 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.7 CC(C1=CCC=C1)O L19681 [1,1,0,0,0,0|1,0,1]=4 185 B8R1.7 CC(c1cccs1)N H26052 [1,1,0,0,0,0|0,0,0]=2 186 B8R1.7 C[C@@H](C1=CCC=C1)O L19683 [1,1,0,0,0,0|1,0,1]=4 187 B8R1.7 C[C@H](C1=CCC=C1)O L19682 [1,1,0,0,0,0|1,0,1]=4 188 B8R1.7 C[C@H](c1cccs1)O H26936 [1,1,0,0,0,0|0,0,0]=2 189 B8R1.7 c1cc([nH]c1)C(=S)N H58042 [1,1,0,0,0,0|1,0,1]=4 190 B8R1.7 c1cc(oc1)C(=O)N B25075 [1,1,0,0,0,0|0,1,1]=4 191 B8R1.7 c1cc(oc1)C(=S)N H51831 [1,1,0,0,0,0|0,1,1]=4 192 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [1,1,0,0,0,0|1,0,1]=4 193 B8R1.7 c1cc(sc1)C(=O)N A15219 [1,1,0,0,0,0|0,0,1]=3 194 B8R1.7 c1cc(sc1)C(=O)O A12514 [1,1,0,0,0,0|1,0,1]=4 195 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [1,1,0,0,0,0|1,0,1]=4 196 B8R1.7 c1cc(sc1)C(=S)N B25225 [1,1,0,0,0,0|0,0,1]=3 197 B8R1.7 c1cc(sc1)[N+](=O)[O-] A17464 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.11 Cc1c(scn1)CO H61900 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.11 Cc1ccsc1C#N A13305 [1,1,0,0,0,0|0,0,2]=4 200 B8R1.11 Cc1ccsc1C=O A13961 [1,1,0,0,0,0|1,0,1]=4 201 B8R1.11 Cc1ccsc1C=O L14741 [1,1,0,0,0,0|1,0,1]=4 202 B8R1.11 Cc1ccsc1CN L18094 [1,1,0,0,0,0|0,0,0]=2 203 B8R1.11 c1csc(c1Br)C#N L09328 [1,1,0,0,0,0|0,0,2]=4 204 B8R1.11 c1csc(c1Br)C=O L19386 [1,1,0,0,0,0|1,0,1]=4 205 B8R1.11 c1csc(c1CN)Br H66245 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.1 CCCc1ccc(cc1)Br H26236 [0,1,0,0,0,1|2,0,0]=4 207 B10R1.1 CCCc1ccc(cc1)I L05767 [0,1,0,0,0,1|2,0,0]=4 208 B10R1.1 CCCc1ccc(cc1)N L03880 [0,1,0,0,0,1|2,0,0]=4 209 B10R1.1 CCCc1ccc(cc1)O A15342 [0,1,0,0,0,1|2,0,0]=4 210 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [0,1,0,0,0,1|2,0,0]=4 211 B10R1.1 Cc1ccc(cc1)CCO B20918 [0,1,0,0,0,1|2,0,0]=4 212 B10R1.1 c1cc(ccc1CCCl)F L16719 [0,1,0,0,0,1|2,0,0]=4 213 B10R1.1 c1cc(ccc1CCN)Br H63706 [0,1,0,0,0,1|1,0,0]=3 214 B10R1.1 c1cc(ccc1CCN)Cl H63081 [0,1,0,0,0,1|1,0,0]=3 215 B10R1.1 c1cc(ccc1CCN)F H61791 [0,1,0,0,0,1|1,0,0]=3 216 B10R1.1 c1cc(ccc1CCN)N L15782 [0,1,0,0,0,1|1,0,0]=3 217 B10R1.1 c1cc(ccc1CCN)O A12220 [0,1,0,0,0,1|1,0,0]=3 218 B10R1.1 c1cc(ccc1CCO)Br A14143 [0,1,0,0,0,1|2,0,0]=4 219 B10R1.1 c1cc(ccc1CCO)F L05618 [0,1,0,0,0,1|2,0,0]=4 220 B10R1.1 c1cc(ccc1CCO)N L15223 [0,1,0,0,0,1|2,0,0]=4 221 B10R1.1 c1cc(ccc1CCO)O A14891 [0,1,0,0,0,1|2,0,0]=4 222 B10R1.4 CCCc1c(nccn1)C B22013 [0,1,0,0,0,1|2,0,0]=4 223 B10R1.4 CCCc1ccccc1O A11088 [0,1,0,0,0,1|2,0,0]=4 224 B10R1.4 Cc1ccccc1CCN H28320 [0,1,0,0,0,1|1,0,0]=3 225 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [0,1,0,0,0,1|1,0,0]=3 226 B10R1.4 c1ccc(c(c1)CCO)F L19998 [0,1,0,0,0,1|2,0,0]=4 227 B10R1.10 CCCc1cccc(c1)O B21266 [0,1,0,0,0,1|2,0,0]=4 228 B10R1.10 c1cc(cc(c1)F)CCN H64762 [0,1,0,0,0,1|1,0,0]=3 229 B10R1.15 CC(CBr)c1ccccc1 L16267 [0,1,0,0,0,1|2,0,0]=4 230 B10R1.15 CC(CN)c1ccccc1 H36338 [0,1,0,0,0,1|1,0,0]=3 231 B10R1.15 CC(CO)c1ccccc1 B23473 [0,1,0,0,0,1|2,0,0]=4 232 B10R1.15 CCC(C)c1ccccc1 B22962 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.15 CCC(c1ccccc1)O A10830 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.15 CC[C@H](c1ccccc1)N L16319 [0,1,0,0,0,1|2,0,0]=4 237 B10R1.15 CC[C@H](c1ccccc1)O L05681 [0,1,0,0,0,1|2,0,0]=4 238 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [0,1,0,0,0,1|2,0,0]=4 239 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [0,1,0,0,0,1|1,0,1]=4 241 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [0,1,0,0,0,1|2,0,0]=4 242 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.15 c1ccc(cc1)C(CN)O H63932 [0,1,0,0,0,1|1,0,0]=3 244 B10R1.15 c1ccc(cc1)C(CO)O L04551 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [0,1,0,0,0,1|1,0,0]=3 246 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [0,1,0,0,0,1|1,0,0]=3 249 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.17 C#CCCc1ccccc1 L12946 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.17 C1C=CCC(=C1)CCCO H31465 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.17 CCCCc1ccccc1 A10910 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.17 CCNCc1ccccc1 L05651 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.17 CCNCc1cccnc1 H51120 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.17 CCNCc1ccncc1 L13714 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.17 CNCCc1ccccn1 H50190 [0,1,0,0,0,1|1,0,0]=3 258 B10R1.17 c1ccc(cc1)CCC#N L06483 [0,1,0,0,0,1|1,0,1]=4 259 B10R1.17 c1ccc(cc1)CCC=O A10367 [0,1,0,0,0,1|2,0,0]=4 260 B10R1.17 c1ccc(cc1)CCCBr A14050 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.17 c1ccc(cc1)CCCCl B20445 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.17 c1ccc(cc1)CCCI H53420 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.17 c1ccc(cc1)CCCN L03023 [0,1,0,0,0,1|1,0,0]=3 264 B10R1.17 c1ccc(cc1)CCCO A13022 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.17 c1ccc(cc1)COCCl H60207 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.17 c1ccc(cc1)NCCN L03786 [0,1,0,0,0,1|1,0,0]=3 268 B10R1.17 c1ccc(cc1)NCCO B22131 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.17 c1ccc(cc1)OCCBr B21087 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.17 c1ccc(cc1)OCCCl L11345 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.17 c1ccc(cc1)OCCN A12225 [0,1,0,0,0,1|1,0,0]=3 272 B10R1.17 c1ccc(cc1)OCCO A10786 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.17 c1ccc(cc1)SCCBr L11005 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.17 c1ccc(cc1)SCCCl B23265 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.17 c1ccc(cc1)SCCO A10861 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.18 CC(C)Cc1ccccn1 B22349 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.18 CC(C)Cc1cccnc1 B22080 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.18 CC(C)Cc1cnccn1 A10245 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [0,1,0,0,0,1|1,0,1]=4 280 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [0,1,0,0,0,1|1,0,1]=4 281 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [0,1,0,0,0,1|1,0,1]=4 282 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [0,1,0,0,0,1|1,0,1]=4 283 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [0,1,0,0,0,1|1,0,1]=4 284 B10R1.18 c1ccnc(c1)CC(=S)N H58993 [0,1,0,0,0,1|1,0,1]=4 285 B10R1.18 c1cnccc1CC(=O)N B24734 [0,1,0,0,0,1|1,0,1]=4 286 B10R1.14 c1cc(sc1C(=O)NN)Br H61959 [0,2,0,0,0,0|1,0,1]=4 287 B10R1.16 CCCCc1ccc(s1)C B24943 [0,2,0,0,0,0|1,0,0]=3 288 B10R1.130 Cc1c(sc(n1)S)CCO H61668 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.130 Cc1cc(n(n1)CCN)C H50333 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.11 CCCC(=O)C1=CC=CC1 39404 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.11 CCCC(=O)c1ccco1 H26287 [0,2,0,0,0,0|1,1,0]=4 292 B10R1.11 CCCC(=O)c1cccs1 A15048 [0,2,0,0,0,0|1,0,0]=3 293 B10R1.11 CCOC(=O)c1cccs1 A12302 [0,2,0,0,0,0|1,0,1]=4 294 B10R1.11 c1cc(sc1)C(=O)CC#N A10911 [0,2,0,0,0,0|0,0,2]=4 295 B10R1.21 CCCCCc1ccco1 A11607 [0,2,0,0,0,0|1,1,0]=4 296 B10R1.21 CCCCCc1cccs1 B21885 [0,2,0,0,0,0|1,0,0]=3 297 B10R1.27 COC(=O)Cc1cccs1 A12110 [0,2,0,0,0,0|1,0,1]=4 298 B10R1.27 c1cc(sc1)C\C(=N\O)\N H58358 [0,2,0,0,0,0|0,0,1]=3 299 B10R1.66 CC(C)SCc1ccco1 B21994 [0,2,0,0,0,0|1,1,0]=4 300 B10R1.66 c1cc(oc1)CCC(=O)O H27273 [0,2,0,0,0,0|1,1,0]=4 301 B8R1.2 c1cc(cnc1)CN B23634 [0,0,1,1,0,0|1,0,1]=4 302 B8R1.2 c1ccc(cc1)CN A10997 [0,0,1,1,0,0|1,0,1]=4 303 B8R1.2 c1ccc(cc1)CN L04102 [0,0,1,1,0,0|1,0,1]=4 304 B8R1.2 c1ccc(cc1)CN L19471 [0,0,1,1,0,0|1,0,1]=4 305 B8R1.2 c1ccnc(c1)CN B23208 [0,0,1,1,0,0|1,0,1]=4 306 B8R1.5 c1ccc(c(c1)N)S A18952 [0,0,1,1,0,0|0,0,2]=4 307 B8R1.49 C1C\C=C/C=C\CC1 L10516 [0,0,1,1,0,0|2,0,0]=4 308 B8R1.4 c1cc(cc(c1)S)N B25473 [0,0,1,1,0,0|0,0,2]=4 309 B10R2.6 c1ccc(cc1)C2CO2 L07821 [0,0,0,1,0,1|2,0,0]=4 310 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [0,0,0,1,0,1|2,0,0]=4 311 B10R2.7 c1cc2c(nc1)CCC2 H25896 [0,0,0,1,0,1|2,0,0]=4 312 B10R2.7 c1cc2c(nc1)NCC2 H64551 [0,0,0,1,0,1|1,0,0]=3 313 B10R2.7 c1ccc2c(c1)CCC2 B21442 [0,0,0,1,0,1|2,0,0]=4 314 B10R2.7 c1ccc2c(c1)CCN2 A11000 [0,0,0,1,0,1|1,0,0]=3 315 B10R2.7 c1ccc2c(c1)CCO2 A11368 [0,0,0,1,0,1|2,0,0]=4