0 B8R1.7 B(c1ccco1)(O)O B23842 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.7 B(c1cccs1)(O)O B23071 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 C1C=CCC1C(=O)O B25456 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.7 C1CC=C(C1)C(=O)O A13271 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 CC(=C1C=CC=C1)C B21826 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.7 CC(=O)c1ccco1 A14938 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.7 CC(=O)c1cccs1 A13062 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.7 CC(=O)c1ccoc1 H34071 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.7 CC(=O)c1ccsc1 A11078 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.7 CC(=O)c1nccs1 A11266 [0,0,0,0,0,0|1,0,1]=2 12 B8R1.7 CC(=O)n1ccnc1 L00137 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.7 CC(C)c1[nH]ccn1 A13307 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.7 CC(C1=CCC=C1)O L19681 [0,0,0,0,0,0|1,0,3]=4 15 B8R1.7 CC(c1cccs1)N H26052 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.7 C[C@@H](C1=CCC=C1)O L19683 [0,0,0,0,0,0|1,0,3]=4 17 B8R1.7 C[C@H](C1=CCC=C1)O L19682 [0,0,0,0,0,0|1,0,3]=4 18 B8R1.7 C[C@H](c1cccs1)O H26936 [0,0,0,0,0,0|1,0,2]=3 19 B8R1.7 c1c(cn[nH]1)C(=O)O H25783 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.7 c1c(nc[nH]1)C(=O)O H56862 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.7 c1c(nc[nH]1)[N+](=O)[O-] A12458 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.7 c1c(nns1)C(=O)O B20842 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.7 c1c(ocn1)C(=O)O H30179 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.7 c1c[nH]cc1C(=O)O H55383 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.7 c1c[nH]nc1C(=O)O B25732 [0,0,0,0,0,0|2,0,1]=3 26 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [0,0,0,0,0,0|1,0,0]=1 27 B8R1.7 c1cc([nH]c1)C(=S)N H58042 [0,0,0,0,0,0|1,1,0]=2 28 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.7 c1cc(oc1)C(=O)N B25075 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.7 c1cc(oc1)C(=O)O A11454 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.7 c1cc(oc1)C(=S)N H51831 [0,0,0,0,0,0|2,1,0]=3 32 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.7 c1cc(sc1)C(=O)N A15219 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.7 c1cc(sc1)C(=O)O A12514 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.7 c1cc(sc1)C(=S)N B25225 [0,0,0,0,0,0|2,1,0]=3 37 B8R1.7 c1cc(sc1)[N+](=O)[O-] A17464 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.7 c1cnc([nH]1)[N+](=O)[O-] L13546 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.7 c1cnn(c1)C(=N)N H60631 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.7 c1cnoc1C(=O)Cl A14625 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.7 c1cnoc1C(=O)O A13739 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.7 c1cocc1C(=O)O L11629 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.7 c1conc1C(=O)O H58438 [0,0,0,0,0,0|2,0,1]=3 44 B8R1.7 c1csc(n1)C(=O)O H63620 [0,0,0,0,0,0|2,0,1]=3 45 B8R1.7 c1cscc1C(=O)Cl H61428 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.7 c1cscc1C(=O)O A15712 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.7 c1cscc1C(=S)N H51830 [0,0,0,0,0,0|3,1,0]=4 48 B7R1.1 C1C=CC=C1C=O 39254 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.1 C1C=CC=C1C=O 44292 [1,0,0,0,0,0|1,0,0]=2 50 B7R1.1 C1C=CC=C1CO 39257 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.1 C=CC1=CC=CC1 17450 [1,0,0,0,0,0|1,0,1]=3 52 B7R1.1 CCC1=CC=CC1 39253 [1,0,0,0,0,0|1,0,1]=3 53 B7R1.1 CCC1=CC=CC1 H27592 [1,0,0,0,0,0|1,0,1]=3 54 B7R1.1 CCC1=CC=CC1 H27618 [1,0,0,0,0,0|1,0,1]=3 55 B7R1.1 CCC1=CC=CC1 H27769 [1,0,0,0,0,0|1,0,1]=3 56 B7R1.1 CCc1[nH]ccn1 B24090 [1,0,0,0,0,0|1,0,1]=3 57 B7R1.1 CCc1ccco1 A15520 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.1 CCc1cccs1 A13372 [1,0,0,0,0,0|1,0,1]=3 59 B7R1.1 COc1ccco1 A15593 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 COc1cccs1 A10455 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.1 COc1ccsc1 B21940 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 COc1nccs1 B25655 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.1 CSc1c[nH]cn1 H63990 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.1 CSc1cccs1 A11763 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.1 CSc1nccs1 B25137 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 C[Mn]C1=CC=CC1 47125 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.1 c1c(nc[nH]1)C=O B25050 [1,0,0,0,0,0|1,0,1]=3 68 B7R1.1 c1c(ncs1)C=O H64028 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.1 c1c(nns1)C=O L20211 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 c1c(scn1)C=O H60138 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.1 c1c[nH]cc1C=O H35559 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.1 c1cc([nH]c1)C#N L15330 [1,0,0,0,0,0|1,0,1]=3 73 B7R1.1 c1cc([nH]c1)C=O A12838 [1,0,0,0,0,0|0,0,0]=1 74 B7R1.1 c1cc(oc1)C#N A12214 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.1 c1cc(oc1)C=O 31305 [1,0,0,0,0,0|1,0,0]=2 76 B7R1.1 c1cc(oc1)C=O A16167 [1,0,0,0,0,0|1,0,0]=2 77 B7R1.1 c1cc(oc1)CN B23975 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.1 c1cc(oc1)CO A10968 [1,0,0,0,0,0|1,0,2]=4 79 B7R1.1 c1cc(oc1)CS B22380 [1,0,0,0,0,0|1,1,1]=4 80 B7R1.1 c1cc(sc1)C#N A11930 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.1 c1cc(sc1)C=O A14344 [1,0,0,0,0,0|1,0,0]=2 82 B7R1.1 c1cc(sc1)CN A11700 [1,0,0,0,0,0|2,0,1]=4 83 B7R1.1 c1cc(sc1)CO A15768 [1,0,0,0,0,0|1,0,2]=4 84 B7R1.1 c1cnc([nH]1)C=O L13883 [1,0,0,0,0,0|1,0,0]=2 85 B7R1.1 c1cocc1C=O A11334 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.1 c1csc(n1)C=O H63329 [1,0,0,0,0,0|1,0,1]=3 87 B7R1.1 c1cscc1C=O A14628 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.11 CC(c1cccs1)NC H51109 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [0,1,0,0,0,0|0,0,0]=1 90 B9R1.11 CCC(=O)c1ccco1 H26754 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.11 CCC(=O)c1cccs1 L02318 [0,1,0,0,0,0|1,0,0]=2 92 B9R1.11 CCC(=O)c1nccs1 B21711 [0,1,0,0,0,0|1,0,1]=3 93 B9R1.11 COC(=O)C1CCC=C1 H66743 [0,1,0,0,0,0|1,0,2]=4 94 B9R1.11 COC(=O)c1c[nH]cn1 H55932 [0,1,0,0,0,0|1,0,1]=3 95 B9R1.11 COC(=O)c1cc[nH]c1 H54340 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.11 COC(=O)c1cc[nH]n1 H34148 [0,1,0,0,0,0|1,0,1]=3 97 B9R1.11 COC(=O)c1ccc[nH]1 H59437 [0,1,0,0,0,0|0,0,0]=1 98 B9R1.11 COC(=O)c1ccco1 A14009 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.11 COC(=O)c1cccs1 A12677 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.11 COC(=O)c1ccno1 B25169 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.11 COC(=O)c1ccsc1 H61488 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.11 COC(=O)c1nc[nH]n1 B24750 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.11 COC(=O)c1nccs1 H63496 [0,1,0,0,0,0|1,0,1]=3 104 B9R1.11 C\N=C(/N)\n1cccn1 H30607 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.11 c1cc([nH]c1)\C(=N\O)\N H58959 [0,1,0,0,0,0|1,0,1]=3 106 B9R1.11 c1cc(oc1)C(=O)NN A13630 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.11 c1cc(oc1)\C(=N\O)\N H58071 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.11 c1cc(sc1)C(=O)CBr H51060 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.11 c1cc(sc1)C(=O)NN A11270 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.11 c1cc(sc1)\C(=N\O)\N H54658 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.19 CC(C)(C)C1=CC=CC1 39405 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.19 CC(C)(C)C1=CC=CC1 H26892 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.19 CC(C)(C)C1=CC=CC1 H27638 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.19 CC(C)(C)C1=CC=CC1 H27714 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.19 CC(C)(C)c1ccco1 H55639 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.19 CC(C1=CC=CC1)(C)C H27791 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.19 CS(=O)(=O)c1cccs1 B20940 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.19 C[Si](C)(C)C1=CC=CC1 H27192 [0,1,0,0,0,0|2,1,0]=4 119 B9R1.19 C[Si](C)(C)c1cccs1 H61170 [0,1,0,0,0,0|2,1,0]=4 120 B9R1.19 C[Si](C)(c1ccco1)[O-] H30686 [0,1,0,0,0,0|1,1,1]=4 121 B9R1.19 c1cc(sc1)S(=O)(=O)Cl A15553 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.35 CC(=O)c1cc(cs1)Cl H30384 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.35 CC(=O)c1ccc(s1)Br A14826 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.35 CC(=O)c1ccc(s1)Cl A11850 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.35 CC(=O)c1ccc(s1)I L17852 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.35 CC(C)c1cc(n[nH]1)N H51110 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.35 Cc1[nH]c(cn1)[N+](=O)[O-] A12569 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.35 Cc1[nH]c(cn1)[N+](=O)[O-] H60614 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.35 Cc1cc([nH]n1)C(=O)O H59899 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.35 Cc1cc(no1)C(=O)Cl H50693 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.35 Cc1cc(no1)C(=O)N H63986 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.35 Cc1cc(no1)C(=O)O L17577 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.35 Cc1cc(on1)C(=O)O H63740 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.35 Cc1cc(sc1)C(=O)C L17617 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.35 Cc1ccc(o1)C(=O)C A16172 [0,1,0,0,0,0|1,0,0]=2 136 B9R1.35 Cc1ccc(o1)C(=O)Cl H27697 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.35 Cc1ccc(s1)C(=O)C A11282 [0,1,0,0,0,0|1,0,0]=2 138 B9R1.35 Cc1ccc(s1)C(=O)O A17737 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.35 Cc1ccn(n1)C(=O)N A14584 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.35 Cc1cnc(s1)C(=O)O H63076 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.35 Cc1csc(n1)C(=O)O H63065 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.35 Cn1cc(nc1)C(=O)O H51866 [0,1,0,0,0,0|2,0,1]=4 143 B9R1.35 Cn1ccc(n1)C(=O)O H50317 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.35 c1([nH]nc(n1)N)C(=O)O A14690 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.35 c1c([nH]c(n1)Br)[N+](=O)[O-] H61155 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.35 c1c([nH]c(n1)Cl)[N+](=O)[O-] H61141 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.35 c1c(coc1C(=O)N)Br H52355 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.35 c1c(nc(s1)N)C(=O)N H66557 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.35 c1c(nc(s1)N)C(=O)O H66459 [0,1,0,0,0,0|2,0,1]=4 150 B9R1.35 c1c(sc(n1)Br)C(=O)O H27203 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.35 c1cc(oc1C(=O)O)Br A14840 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.35 c1cc(sc1C(=O)Cl)Cl H61474 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.35 c1cc(sc1C(=O)O)Br A19242 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.35 c1cc(sc1C(=O)O)Cl A15209 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.35 c1cc(sc1[N+](=O)[O-])Br A15866 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.41 CC(=O)c1c(ccs1)Br L20113 [0,1,0,0,0,0|1,0,0]=2 157 B9R1.41 CC(=O)c1c(ccs1)Cl L20114 [0,1,0,0,0,0|1,0,0]=2 158 B9R1.41 CC(=O)c1c(ccs1)N L10563 [0,1,0,0,0,0|1,0,0]=2 159 B9R1.41 CC(=O)c1cccn1C A15353 [0,1,0,0,0,0|0,0,0]=1 160 B9R1.41 Cc1c(cco1)C(=O)Cl H27206 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.41 Cc1c(cco1)C(=O)O B24928 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.41 Cc1c(scn1)C(=O)O H32662 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.41 Cc1ccoc1C(=O)O L01763 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.41 Cc1ccsc1C(=O)C L04086 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.41 Cc1ccsc1C(=O)Cl L17989 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.41 Cc1ccsc1C(=O)N L18092 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.41 Cc1ccsc1C(=O)O A19194 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.41 Cn1c(ccn1)C(=O)O H32874 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.41 Cn1cccc1C(=O)Cl L18431 [0,1,0,0,0,0|1,0,0]=2 170 B9R1.41 Cn1cccc1C(=O)O L05906 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.41 Cn1ccnc1C(=O)O H51859 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.41 Cn1cncc1C(=O)O H51106 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.41 c1[nH]c(c(n1)N)C(=O)N B24012 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.41 c1[nH]c(c(n1)N)C(=O)N H66184 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.41 c1csc(c1Br)C(=O)N L16138 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.41 c1csc(c1Br)C(=O)O A11935 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.41 c1csc(c1Cl)C(=O)O L13560 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.41 c1csc(c1N)C(=O)N L12371 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.4 CC(=O)O\C=C\C=C A12519 [0,0,1,0,0,0|2,0,0]=3 180 B7R0.4 CCC\C=C\C(=O)C A19086 [0,0,1,0,0,0|1,0,2]=4 181 B7R0.4 C\C=C\C=C\C(=O)O A16196 [0,0,1,0,0,0|2,0,0]=3 182 B7R0.4 C\C=C\C=C\C(=O)[O-] A12844 [0,0,1,0,0,0|2,0,0]=3 183 B7R0.4 C\C=C\COC(=O)C L09734 [0,0,1,0,0,0|2,0,1]=4 184 B7R0.5 C=CC[C@@H](C(=O)O)N H52097 [0,0,1,0,0,0|1,0,2]=4 185 B7R0.5 C=CC[C@H](C(=O)O)N H52112 [0,0,1,0,0,0|1,0,2]=4 186 B7R0.5 CC(=C)C(=O)OC=C L09584 [0,0,1,0,0,0|3,0,0]=4 187 B7R0.5 CC(=O)C(CC=C)F H33048 [0,0,1,0,0,0|1,0,2]=4 188 B9R2.7 C1C=CC2C1C(=O)C2 B22472 [0,0,0,1,0,0|1,0,2]=4 189 B9R1.6 CC(=C)c1ccccc1 L03609 [0,0,0,0,0,1|2,0,0]=3 190 B9R1.6 CC(=O)c1ccccc1 A12727 [0,0,0,0,0,1|1,0,0]=2 191 B9R1.6 CC(=O)c1ccccn1 A12688 [0,0,0,0,0,1|0,0,1]=2 192 B9R1.6 CC(=O)c1cccnc1 A14246 [0,0,0,0,0,1|0,0,1]=2 193 B9R1.6 CC(=O)c1ccncc1 A12015 [0,0,0,0,0,1|1,0,0]=2 194 B9R1.6 CC(=O)c1ccnnc1 H66461 [0,0,0,0,0,1|1,0,1]=3 195 B9R1.6 CC(=O)c1cnccn1 A15917 [0,0,0,0,0,1|0,0,1]=2 196 B9R1.6 CC(C)c1ccccc1 A11864 [0,0,0,0,0,1|2,0,1]=4 197 B9R1.6 CC(C)c1cnccn1 A13891 [0,0,0,0,0,1|1,0,2]=4 198 B9R1.6 CC(c1ccccc1)Br A16839 [0,0,0,0,0,1|2,0,1]=4 199 B9R1.6 CC(c1ccccc1)N A15711 [0,0,0,0,0,1|2,0,1]=4 200 B9R1.6 CC(c1ccccc1)O A13837 [0,0,0,0,0,1|1,0,2]=4 201 B9R1.6 CC(c1ccccc1)S H26345 [0,0,0,0,0,1|1,1,1]=4 202 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [0,0,0,0,0,1|2,0,1]=4 203 B9R1.6 CC(c1ccccn1)N H26046 [0,0,0,0,0,1|1,0,2]=4 204 B9R1.6 CC(c1cccnc1)N H26047 [0,0,0,0,0,1|1,0,2]=4 205 B9R1.6 CC(c1ccncc1)N H50303 [0,0,0,0,0,1|2,0,1]=4 206 B9R1.6 CC(c1ccncc1)O H58711 [0,0,0,0,0,1|1,0,2]=4 207 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.6 CN(C)c1ccccc1 A11916 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.6 CN(C)c1ccccn1 L02513 [0,0,0,0,0,1|2,0,1]=4 210 B9R1.6 CN(C)c1ccncc1 A13016 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.6 CN(C)c1ccncc1 H51715 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.6 CN(c1ccccc1)N B22440 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.6 CP(C)c1ccccc1 A17975 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.6 CS(=O)c1ccccc1 A15009 [0,0,0,0,0,1|2,0,0]=3 215 B9R1.6 C[C@@H](c1ccccc1)N A12632 [0,0,0,0,0,1|2,0,1]=4 216 B9R1.6 C[C@@H](c1ccccc1)N L19118 [0,0,0,0,0,1|2,0,1]=4 217 B9R1.6 C[C@@H](c1ccccc1)O B21188 [0,0,0,0,0,1|1,0,2]=4 218 B9R1.6 C[C@H](c1ccccc1)N A10967 [0,0,0,0,0,1|2,0,1]=4 219 B9R1.6 C[C@H](c1ccccc1)N L19117 [0,0,0,0,0,1|2,0,1]=4 220 B9R1.6 C[C@H](c1ccccc1)O L19296 [0,0,0,0,0,1|1,0,2]=4 221 B9R1.6 C[C@H](c1ccncc1)O H51033 [0,0,0,0,0,1|1,0,2]=4 222 B9R1.6 C[SiH](C)c1ccccc1 L04558 [0,0,0,0,0,1|2,1,0]=4 223 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [0,0,0,0,0,1|2,0,0]=3 224 B9R1.6 c1c(cncn1)C(=O)O H61406 [0,0,0,0,0,1|2,0,1]=4 225 B9R1.6 c1cc(cnc1)C(=N)N B20406 [0,0,0,0,0,1|2,0,1]=4 226 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [0,0,0,0,0,1|1,0,1]=3 227 B9R1.6 c1cc(cnc1)C(=O)N A15970 [0,0,0,0,0,1|1,0,1]=3 228 B9R1.6 c1cc(cnc1)C(=O)O A12683 [0,0,0,0,0,1|1,0,1]=3 229 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [0,0,0,0,0,1|1,0,1]=3 230 B9R1.6 c1cc(cnc1)C(=S)N A11144 [0,0,0,0,0,1|1,1,1]=4 231 B9R1.6 c1cc(cnc1)[N+](=O)[O-] L19627 [0,0,0,0,0,1|2,0,1]=4 232 B9R1.6 c1cc(nnc1)C(=O)O H34341 [0,0,0,0,0,1|1,0,1]=3 233 B9R1.6 c1ccc(cc1)C(=N)N A16002 [0,0,0,0,0,1|3,0,0]=4 234 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [0,0,0,0,0,1|2,0,0]=3 235 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [0,0,0,0,0,1|2,0,0]=3 236 B9R1.6 c1ccc(cc1)C(=O)F L11464 [0,0,0,0,0,1|2,0,0]=3 237 B9R1.6 c1ccc(cc1)C(=O)N A10501 [0,0,0,0,0,1|2,0,0]=3 238 B9R1.6 c1ccc(cc1)C(=O)O 36230 [0,0,0,0,0,1|2,0,0]=3 239 B9R1.6 c1ccc(cc1)C(=O)O A14062 [0,0,0,0,0,1|2,0,0]=3 240 B9R1.6 c1ccc(cc1)C(=O)O H25864 [0,0,0,0,0,1|2,0,0]=3 241 B9R1.6 c1ccc(cc1)C(=O)O L19473 [0,0,0,0,0,1|2,0,0]=3 242 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [0,0,0,0,0,1|2,0,0]=3 243 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [0,0,0,0,0,1|2,0,0]=3 244 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [0,0,0,0,0,1|2,0,0]=3 245 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [0,0,0,0,0,1|2,0,0]=3 246 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [0,0,0,0,0,1|2,0,0]=3 247 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [0,0,0,0,0,1|2,0,0]=3 248 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [0,0,0,0,0,1|2,0,0]=3 249 B9R1.6 c1ccc(cc1)C(=S)N A12973 [0,0,0,0,0,1|2,1,0]=4 250 B9R1.6 c1ccc(cc1)C(=S)O B24458 [0,0,0,0,0,1|2,0,1]=4 251 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [0,0,0,0,0,1|2,0,1]=4 252 B9R1.6 c1ccc(cc1)P(=O)O A17453 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.6 c1ccnc(c1)C(=N)N A10942 [0,0,0,0,0,1|2,0,1]=4 258 B9R1.6 c1ccnc(c1)C(=O)N A15410 [0,0,0,0,0,1|1,0,1]=3 259 B9R1.6 c1ccnc(c1)C(=O)O A14749 [0,0,0,0,0,1|1,0,1]=3 260 B9R1.6 c1ccnc(c1)C(=S)N H51710 [0,0,0,0,0,1|1,1,1]=4 261 B9R1.6 c1ccnc(c1)[N+](=O)[O-] H33657 [0,0,0,0,0,1|2,0,1]=4 262 B9R1.6 c1cnc(cn1)C(=O)Cl H50418 [0,0,0,0,0,1|1,0,1]=3 263 B9R1.6 c1cnc(cn1)C(=O)O A13363 [0,0,0,0,0,1|1,0,1]=3 264 B9R1.6 c1cnc(cn1)C(=S)N H26750 [0,0,0,0,0,1|1,1,1]=4 265 B9R1.6 c1cnc(nc1)C(=O)O H54745 [0,0,0,0,0,1|1,0,1]=3 266 B9R1.6 c1cnc(nc1)C(=S)N H54783 [0,0,0,0,0,1|1,1,1]=4 267 B9R1.6 c1cnccc1C(=N)N A11050 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.6 c1cnccc1C(=O)Cl A10863 [0,0,0,0,0,1|2,0,0]=3 269 B9R1.6 c1cnccc1C(=O)N A18190 [0,0,0,0,0,1|2,0,0]=3 270 B9R1.6 c1cnccc1C(=O)O A18109 [0,0,0,0,0,1|2,0,0]=3 271 B9R1.6 c1cnccc1C(=S)N B25265 [0,0,0,0,0,1|2,1,0]=4 272 B9R1.6 c1cncnc1C(=O)O H60022 [0,0,0,0,0,1|1,0,1]=3 273 B9R1.6 c1cnncc1C(=O)O H27246 [0,0,0,0,0,1|2,0,1]=4 274 B9R1.13 CC(=O)Cc1ccco1 B22171 [0,0,0,0,0,1|1,0,0]=2 275 B9R1.13 CC(=O)Nc1nccs1 B23873 [0,0,0,0,0,1|1,0,1]=3 276 B9R1.13 CN(C)CC1=CC=CC1 L07915 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.13 c1c(nc[nH]1)CC(=O)O B22473 [0,0,0,0,0,1|2,0,1]=4 278 B9R1.13 c1cc(sc1)CC(=O)Cl L09323 [0,0,0,0,0,1|2,0,0]=3 279 B9R1.13 c1cc(sc1)CC(=O)N L19221 [0,0,0,0,0,1|2,0,0]=3 280 B9R1.13 c1cc(sc1)CC(=O)O A10394 [0,0,0,0,0,1|2,0,0]=3 281 B9R1.13 c1cc(sc1)CC(=S)N H58178 [0,0,0,0,0,1|2,1,0]=4 282 B9R1.13 c1cscc1CC(=O)O A10700 [0,0,0,0,0,1|3,0,0]=4 283 B6R0.4 CC(=O)CCC=C B22505 [1,0,1,0,0,0|0,0,2]=4 284 B6R0.4 CC(=O)OCC=C 41353 [1,0,1,0,0,0|1,0,1]=4 285 B6R0.4 CC(=O)\C=C\OC A11235 [1,0,1,0,0,0|1,0,1]=4 286 B6R0.6 C\C=C\C=C\C=O A13200 [1,0,1,0,0,0|1,0,0]=3 287 B6R0.6 C\C=C\C=C\CO A12660 [1,0,1,0,0,0|1,0,1]=4 288 B6R0.3 C\C=C(/C)\C(=O)C L13548 [1,0,1,0,0,0|0,0,2]=4 289 B6R1.2 C1C=CC(=O)O1 L13142 [2,0,0,0,0,0|1,0,1]=4 290 B6R1.2 C1C=CC=C1Br L17045 [2,0,0,0,0,0|2,0,0]=4 291 B6R1.2 C1C=CC=C1[Co] 23136 [2,0,0,0,0,0|2,0,0]=4 292 B6R1.2 C1C=CC=C1[Mn] 38606 [2,0,0,0,0,0|2,0,0]=4 293 B6R1.2 C1C=CC=C1[Mo+4] 40522 [2,0,0,0,0,0|2,0,0]=4 294 B6R1.2 C1C=CC=C1[Nb+4] 39246 [2,0,0,0,0,0|2,0,0]=4 295 B6R1.2 C1C=CC=C1[Re] 33655 [2,0,0,0,0,0|2,0,0]=4 296 B6R1.2 C1C=CC=C1[Ti+3] 77134 [2,0,0,0,0,0|2,0,0]=4 297 B6R1.2 C1C=CC=C1[Tl] 13958 [2,0,0,0,0,0|2,0,0]=4 298 B6R1.2 C1C=CC=C1[V] 81123 [2,0,0,0,0,0|2,0,0]=4 299 B6R1.2 C1C=CC=C1[Zr+3] 20617 [2,0,0,0,0,0|2,0,0]=4 300 B6R1.2 C1CC(=O)C=C1 B23408 [2,0,0,0,0,0|1,0,1]=4 301 B6R1.2 CC1=CC=CC1 H27241 [2,0,0,0,0,0|1,0,0]=3 302 B6R1.2 CC1=CCC=C1 H27464 [2,0,0,0,0,0|1,0,1]=4 303 B6R1.2 Cc1[nH]ccn1 A17063 [2,0,0,0,0,0|1,0,0]=3 304 B6R1.2 Cc1c[nH]cn1 B24139 [2,0,0,0,0,0|1,0,1]=4 305 B6R1.2 Cc1c[nH]cn1 L20184 [2,0,0,0,0,0|1,0,1]=4 306 B6R1.2 Cc1cc[nH]n1 L01618 [2,0,0,0,0,0|1,0,1]=4 307 B6R1.2 Cc1ccco1 B23692 [2,0,0,0,0,0|1,0,0]=3 308 B6R1.2 Cc1cccs1 A12736 [2,0,0,0,0,0|1,0,0]=3 309 B6R1.2 Cc1ccsc1 A13394 [2,0,0,0,0,0|2,0,0]=4 310 B6R1.2 Cc1cncs1 L15879 [2,0,0,0,0,0|2,0,0]=4 311 B6R1.2 Cc1cscn1 A15428 [2,0,0,0,0,0|1,0,1]=4 312 B6R1.2 Cn1cccc1 B21451 [2,0,0,0,0,0|2,0,0]=4 313 B6R1.2 Cn1cccn1 L14831 [2,0,0,0,0,0|1,0,1]=4 314 B6R1.2 c1cc(oc1)Br H63218 [2,0,0,0,0,0|2,0,0]=4 315 B6R1.2 c1cc(sc1)Br A11959 [2,0,0,0,0,0|2,0,0]=4 316 B6R1.2 c1cc(sc1)Cl A10390 [2,0,0,0,0,0|2,0,0]=4 317 B6R1.2 c1cc(sc1)I A12898 [2,0,0,0,0,0|2,0,0]=4 318 B6R1.2 c1cc(sc1)S B22642 [2,0,0,0,0,0|1,1,0]=4 319 B6R1.2 c1cc(sc1)[Zn+] H58397 [2,0,0,0,0,0|2,0,0]=4 320 B6R1.2 c1cnc([nH]1)Br H52553 [2,0,0,0,0,0|2,0,0]=4 321 B6R1.2 c1cnc([nH]1)Cl H51863 [2,0,0,0,0,0|2,0,0]=4 322 B6R1.2 c1cnc([nH]1)I H51868 [2,0,0,0,0,0|2,0,0]=4 323 B6R1.2 c1cnc([nH]1)N H25999 [2,0,0,0,0,0|2,0,0]=4 324 B6R1.2 c1cnc([nH]1)S L01346 [2,0,0,0,0,0|1,1,0]=4 325 B6R1.2 c1coc(=O)o1 41400 [2,0,0,0,0,0|2,0,0]=4 326 B8R0.28 CC(=C\C=C\C(=O)C)C L09169 [0,1,1,0,0,0|1,0,0]=3 327 B8R0.23 CC(=O)NC(=C)C(=O)O L01649 [0,1,1,0,0,0|1,0,1]=4 328 B8R1.1 CCc1[nH]cc(n1)C A15798 [1,1,0,0,0,0|1,0,1]=4 329 B8R1.1 CCc1cc(n[nH]1)N H50782 [1,1,0,0,0,0|1,0,1]=4 330 B8R1.1 CCc1cc(n[nH]1)N H51026 [1,1,0,0,0,0|1,0,1]=4 331 B8R1.1 CCc1ccc(s1)C B22640 [1,1,0,0,0,0|1,0,1]=4 332 B8R1.1 Cc1ccc(o1)C=O A13264 [1,1,0,0,0,0|1,0,0]=3 333 B8R1.1 Cc1ccc(o1)SC B21998 [1,1,0,0,0,0|2,0,0]=4 334 B8R1.1 Cc1ccc(s1)C=O A11119 [1,1,0,0,0,0|1,0,0]=3 335 B8R1.1 c1c(coc1C=O)Br H26994 [1,1,0,0,0,0|1,0,0]=3 336 B8R1.1 c1c(csc1C=O)Br A13304 [1,1,0,0,0,0|1,0,0]=3 337 B8R1.1 c1c(sc(n1)Br)C=O H31096 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.1 c1c(sc(n1)Cl)C=O H33256 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.1 c1c(sc(n1)N)C=O H27112 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.1 c1cc(oc1C=O)Br B22536 [1,1,0,0,0,0|1,0,0]=3 341 B8R1.1 c1cc(oc1C=O)Cl L19971 [1,1,0,0,0,0|1,0,0]=3 342 B8R1.1 c1cc(oc1C=O)I L19670 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.1 c1cc(sc1C=O)Br A13381 [1,1,0,0,0,0|1,0,0]=3 344 B8R1.1 c1cc(sc1C=O)Cl B22833 [1,1,0,0,0,0|1,0,0]=3 345 B8R1.8 CCCc1ccco1 B21703 [1,1,0,0,0,0|1,0,1]=4 346 B8R1.8 CCCc1cccs1 L03052 [1,1,0,0,0,0|1,0,1]=4 347 B8R1.8 CSCc1ccco1 B21691 [1,1,0,0,0,0|1,0,1]=4 348 B8R1.8 c1cc([nH]c1)\C=N\O L18959 [1,1,0,0,0,0|0,0,1]=3 349 B8R1.8 c1cc(sc1)CCN A10920 [1,1,0,0,0,0|1,0,1]=4 350 B8R1.8 c1cc(sc1)CCO B21562 [1,1,0,0,0,0|1,0,1]=4 351 B8R1.8 c1cc(sc1)\C=N\O L10961 [1,1,0,0,0,0|1,0,1]=4 352 B8R1.11 Cc1c(nc[nH]1)C=O B20608 [1,1,0,0,0,0|1,0,1]=4 353 B8R1.11 Cc1c(scn1)C=O H61613 [1,1,0,0,0,0|2,0,0]=4 354 B8R1.11 Cc1ccsc1C=O A13961 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.11 Cc1ccsc1C=O L14741 [1,1,0,0,0,0|1,0,0]=3 356 B8R1.11 Cn1cccc1C=O A11163 [1,1,0,0,0,0|0,0,0]=2 357 B8R1.11 Cn1ccnc1C=O H55201 [1,1,0,0,0,0|1,0,0]=3 358 B8R1.11 Cn1cncc1C=O H27338 [1,1,0,0,0,0|1,0,0]=3 359 B8R1.11 c1csc(c1Br)C=O L19386 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [0,1,0,0,0,1|1,0,0]=3 363 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [0,1,0,0,0,1|1,0,0]=3 364 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [0,1,0,0,0,1|1,0,0]=3 365 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [0,1,0,0,0,1|1,0,0]=3 366 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [0,1,0,0,0,1|1,0,0]=3 367 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [0,1,0,0,0,1|1,0,0]=3 368 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [0,1,0,0,0,1|0,0,1]=3 369 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [0,1,0,0,0,1|1,0,0]=3 371 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [0,1,0,0,0,1|0,0,1]=3 375 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [0,1,0,0,0,1|1,0,1]=4 376 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [0,1,0,0,0,1|1,0,1]=4 377 B10R1.13 Cc1cnc(cn1)C(=O)O A14011 [0,1,0,0,0,1|1,0,1]=4 378 B10R1.13 c1c(cnc(n1)C(=O)O)Br H64041 [0,1,0,0,0,1|1,0,1]=4 379 B10R1.13 c1c(ncc(n1)Br)C(=O)O H66382 [0,1,0,0,0,1|1,0,1]=4 380 B10R1.13 c1c(ncc(n1)Cl)C(=O)O H32596 [0,1,0,0,0,1|1,0,1]=4 381 B10R1.13 c1c(ncc(n1)N)C(=O)O H66207 [0,1,0,0,0,1|1,0,1]=4 382 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.13 c1cc(ncc1Br)C(=O)Cl H61760 [0,1,0,0,0,1|1,0,1]=4 401 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [0,1,0,0,0,1|1,0,1]=4 402 B10R1.13 c1cc(ncc1C(=O)Cl)Cl A12354 [0,1,0,0,0,1|1,0,1]=4 403 B10R1.13 c1cc(ncc1C(=O)N)Cl B21922 [0,1,0,0,0,1|1,0,1]=4 404 B10R1.13 c1cc(ncc1C(=O)N)N L06692 [0,1,0,0,0,1|1,0,1]=4 405 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [0,1,0,0,0,1|1,0,1]=4 406 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [0,1,0,0,0,1|1,0,1]=4 407 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [0,1,0,0,0,1|1,0,1]=4 408 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [0,1,0,0,0,1|1,0,1]=4 409 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [0,1,0,0,0,1|1,0,1]=4 410 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [0,1,0,0,0,1|1,0,1]=4 411 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [0,1,0,0,0,1|1,0,1]=4 412 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [0,1,0,0,0,1|1,0,1]=4 413 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [0,1,0,0,0,1|1,0,1]=4 414 B10R1.15 CC(C=O)c1ccccc1 B22436 [0,1,0,0,0,1|1,0,1]=4 415 B10R1.15 CCC(=O)c1ccccc1 A15140 [0,1,0,0,0,1|1,0,0]=3 416 B10R1.15 CCC(=O)c1cccnc1 L09711 [0,1,0,0,0,1|0,0,1]=3 417 B10R1.15 CCC(=O)c1ccncc1 L11552 [0,1,0,0,0,1|1,0,0]=3 418 B10R1.15 CN(C=O)c1ccccc1 A11829 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.15 CNC(=O)c1ccccc1 A18057 [0,1,0,0,0,1|1,0,0]=3 420 B10R1.15 COC(=O)c1ccccc1 44368 [0,1,0,0,0,1|1,0,0]=3 421 B10R1.15 COC(=O)c1ccccc1 A12404 [0,1,0,0,0,1|1,0,0]=3 422 B10R1.15 COC(=O)c1ccccn1 H54530 [0,1,0,0,0,1|0,0,1]=3 423 B10R1.15 COC(=O)c1cccnc1 B23908 [0,1,0,0,0,1|0,0,1]=3 424 B10R1.15 COC(=O)c1ccncc1 B23263 [0,1,0,0,0,1|1,0,0]=3 425 B10R1.15 COC(=O)c1ccnnc1 H27449 [0,1,0,0,0,1|1,0,1]=4 426 B10R1.15 COC(=O)c1cnccn1 A12028 [0,1,0,0,0,1|0,0,1]=3 427 B10R1.15 CSC(=N)c1ccccn1 H51786 [0,1,0,0,0,1|1,0,1]=4 428 B10R1.15 CSC(=N)c1cccnc1 H51776 [0,1,0,0,0,1|1,0,1]=4 429 B10R1.15 CSC(=N)c1ccncc1 H51774 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [0,1,0,0,0,1|1,0,1]=4 431 B10R1.15 C\C(=N/O)\c1ccccn1 H52232 [0,1,0,0,0,1|0,0,2]=4 432 B10R1.15 C\C(=N/O)\c1cccnc1 H52154 [0,1,0,0,0,1|0,0,2]=4 433 B10R1.15 C\C(=N/O)\c1ccncc1 H52207 [0,1,0,0,0,1|1,0,1]=4 434 B10R1.15 c1cc(cnc1)C(=O)NN L02059 [0,1,0,0,0,1|1,0,1]=4 435 B10R1.15 c1cc(cnc1)C(=O)[NH2+][O-] H61292 [0,1,0,0,0,1|1,0,1]=4 436 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [0,1,0,0,0,1|1,0,1]=4 437 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [0,1,0,0,0,1|1,0,0]=3 438 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [0,1,0,0,0,1|1,0,0]=3 439 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [0,1,0,0,0,1|1,0,0]=3 440 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [0,1,0,0,0,1|1,0,0]=3 441 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.15 c1cnccc1C(=O)CBr H32285 [0,1,0,0,0,1|1,0,0]=3 444 B10R1.15 c1cnccc1C(=O)NN A10583 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.28 CP(=O)(c1ccccc1)Cl A18349 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.28 CP(=O)(c1ccccc1)O A19774 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.28 CS(=O)(=O)c1ccccc1 A11727 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.28 C[S@@](=N)(=O)c1ccccc1 L08562 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.28 C[S@](=N)(=O)c1ccccc1 L08618 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.61 CC(=O)c1ccccc1Br A11982 [0,1,0,0,0,1|1,0,0]=3 451 B10R1.61 CC(=O)c1ccccc1Cl A15232 [0,1,0,0,0,1|1,0,0]=3 452 B10R1.61 CC(=O)c1ccccc1F A15128 [0,1,0,0,0,1|1,0,0]=3 453 B10R1.61 CC(=O)c1ccccc1I B25345 [0,1,0,0,0,1|1,0,0]=3 454 B10R1.61 CC(=O)c1ccccc1N A10895 [0,1,0,0,0,1|1,0,0]=3 455 B10R1.61 CC(=O)c1ccccc1O A12550 [0,1,0,0,0,1|1,0,0]=3 456 B10R1.61 Cc1c(nccn1)C(=O)C A15054 [0,1,0,0,0,1|0,0,1]=3 457 B10R1.61 Cc1ccccc1C(=C)C H26073 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.61 Cc1ccccc1C(=O)C A11695 [0,1,0,0,0,1|1,0,0]=3 459 B10R1.61 Cc1ccccc1C(=O)Cl A10775 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.61 Cc1ccccc1C(=O)O A13856 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.61 Cc1ccncc1C(=O)C H33380 [0,1,0,0,0,1|0,0,1]=3 462 B10R1.61 Cc1ccncc1C(=O)O B22367 [0,1,0,0,0,1|1,0,1]=4 463 B10R1.61 c1cc(c(nc1)Br)C(=O)O H30239 [0,1,0,0,0,1|1,0,1]=4 464 B10R1.61 c1cc(c(nc1)C(=O)O)Br H64258 [0,1,0,0,0,1|1,0,1]=4 465 B10R1.61 c1cc(c(nc1)C(=O)O)Cl H26024 [0,1,0,0,0,1|1,0,1]=4 466 B10R1.61 c1cc(c(nc1)C(=O)O)F H61458 [0,1,0,0,0,1|1,0,1]=4 467 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [0,1,0,0,0,1|1,0,1]=4 468 B10R1.61 c1cc(c(nc1)C(=O)O)O L07489 [0,1,0,0,0,1|1,0,1]=4 469 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl A11048 [0,1,0,0,0,1|1,0,1]=4 470 B10R1.61 c1cc(c(nc1)Cl)C(=O)N A12090 [0,1,0,0,0,1|1,0,1]=4 471 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A17082 [0,1,0,0,0,1|1,0,1]=4 472 B10R1.61 c1cc(c(nc1)F)C(=O)O L19442 [0,1,0,0,0,1|1,0,1]=4 473 B10R1.61 c1cc(c(nc1)N)C(=O)N H66202 [0,1,0,0,0,1|1,0,1]=4 474 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [0,1,0,0,0,1|1,0,1]=4 475 B10R1.61 c1cc(c(nc1)O)C(=O)O A15986 [0,1,0,0,0,1|1,0,1]=4 476 B10R1.61 c1cc(c(nc1)S)C(=O)O A14683 [0,1,0,0,0,1|1,0,1]=4 477 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br A14520 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl A14785 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.61 c1ccc(c(c1)C(=O)Cl)F A16096 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.61 c1ccc(c(c1)C(=O)Cl)I A13558 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [0,1,0,0,0,1|2,0,0]=4 486 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 18585 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39356 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39379 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.61 c1ccc(c(c1)C(=O)[O-])O A17056 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.61 c1cnc(c(n1)C(=O)N)N H63553 [0,1,0,0,0,1|1,0,1]=4 499 B10R1.61 c1cnc(c(n1)C(=O)N)O H28250 [0,1,0,0,0,1|1,0,1]=4 500 B10R1.61 c1cnc(c(n1)C(=O)O)N B23707 [0,1,0,0,0,1|1,0,1]=4 501 B10R1.61 c1cncc(c1Br)C(=O)O H66322 [0,1,0,0,0,1|1,0,1]=4 502 B10R1.61 c1cncc(c1C(=O)O)Br H31047 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.61 c1cncc(c1C(=O)O)Cl H63669 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.61 c1cncc(c1C(=O)O)F L20042 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.61 c1cncc(c1C(=O)O)N H28714 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.61 c1cncc(c1C(=O)O)O H63465 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.61 c1cncc(c1Cl)C(=O)O L20029 [0,1,0,0,0,1|1,0,1]=4 508 B10R1.61 c1cncc(c1N)C(=O)O H50032 [0,1,0,0,0,1|1,0,1]=4 509 B10R1.61 c1cncc(c1O)C(=O)O H32282 [0,1,0,0,0,1|1,0,1]=4 510 B10R1.113 CC(=O)c1cc(ccn1)Br H66562 [0,1,0,0,0,1|0,0,1]=3 511 B10R1.113 CC(=O)c1cc(cnc1)Br L19362 [0,1,0,0,0,1|0,0,1]=3 512 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [0,1,0,0,0,1|1,0,0]=3 513 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [0,1,0,0,0,1|1,0,0]=3 514 B10R1.113 CC(=O)c1cccc(c1)F A11733 [0,1,0,0,0,1|1,0,0]=3 515 B10R1.113 CC(=O)c1cccc(c1)N A12503 [0,1,0,0,0,1|1,0,0]=3 516 B10R1.113 CC(=O)c1cccc(c1)O A12547 [0,1,0,0,0,1|1,0,0]=3 517 B10R1.113 CC(=O)c1cccc(n1)Br H55981 [0,1,0,0,0,1|0,0,1]=3 518 B10R1.113 CC(=O)c1ccnc(c1)Cl H33619 [0,1,0,0,0,1|1,0,0]=3 519 B10R1.113 Cc1cc(ccn1)C(=O)O H57969 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.113 Cc1cc(cnc1)C(=O)N L18970 [0,1,0,0,0,1|1,0,1]=4 521 B10R1.113 Cc1cc(cnc1)C(=O)O L16370 [0,1,0,0,0,1|1,0,1]=4 522 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [0,1,0,0,0,1|1,0,0]=3 524 B10R1.113 Cc1cccc(c1)C(=O)Cl B23914 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.113 Cc1cccc(c1)C(=O)O A13785 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.113 Cc1cccc(n1)C(=O)C H65997 [0,1,0,0,0,1|0,0,1]=3 528 B10R1.113 Cc1cccc(n1)C(=O)O H26302 [0,1,0,0,0,1|1,0,1]=4 529 B10R1.113 c1c(cncc1Br)C(=O)Cl L15510 [0,1,0,0,0,1|1,0,1]=4 530 B10R1.113 c1c(cncc1Br)C(=O)N A17840 [0,1,0,0,0,1|1,0,1]=4 531 B10R1.113 c1c(cncc1Br)C(=O)O A13589 [0,1,0,0,0,1|1,0,1]=4 532 B10R1.113 c1c(cncc1Cl)C(=O)O H26804 [0,1,0,0,0,1|1,0,1]=4 533 B10R1.113 c1c(cncc1F)C(=O)O H61162 [0,1,0,0,0,1|1,0,1]=4 534 B10R1.113 c1c(cncc1N)C(=O)O H60192 [0,1,0,0,0,1|1,0,1]=4 535 B10R1.113 c1c(cncc1O)C(=O)O H30725 [0,1,0,0,0,1|1,0,1]=4 536 B10R1.113 c1c(nc(cn1)Cl)C(=O)O H66404 [0,1,0,0,0,1|1,0,1]=4 537 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl A15256 [0,1,0,0,0,1|2,0,0]=4 538 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.113 c1cc(cc(c1)Br)C(=O)O A12606 [0,1,0,0,0,1|2,0,0]=4 540 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A13509 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.113 c1cc(cc(c1)Cl)C(=O)O A10876 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.113 c1cc(cc(c1)F)C(=O)Cl L09152 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.113 c1cc(cc(c1)F)C(=O)O A16511 [0,1,0,0,0,1|2,0,0]=4 546 B10R1.113 c1cc(cc(c1)I)C(=O)Cl L17451 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.113 c1cc(cc(c1)I)C(=O)O A11515 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.113 c1cc(cc(c1)N)C(=O)O A19540 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.113 c1cc(cc(c1)N)C(=O)O L08407 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.113 c1cc(nc(c1)Br)C(=O)N H31811 [0,1,0,0,0,1|1,0,1]=4 553 B10R1.113 c1cc(nc(c1)Br)C(=O)O H30553 [0,1,0,0,0,1|1,0,1]=4 554 B10R1.113 c1cc(nc(c1)Cl)C(=O)N H33547 [0,1,0,0,0,1|1,0,1]=4 555 B10R1.113 c1cc(nc(c1)Cl)C(=O)O L19448 [0,1,0,0,0,1|1,0,1]=4 556 B10R1.113 c1cc(nc(c1)F)C(=O)N H32911 [0,1,0,0,0,1|1,0,1]=4 557 B10R1.113 c1cc(nc(c1)F)C(=O)O H26106 [0,1,0,0,0,1|1,0,1]=4 558 B10R1.113 c1cc(nc(c1)N)C(=O)O H31861 [0,1,0,0,0,1|1,0,1]=4 559 B10R1.113 c1cnc(cc1Br)C(=O)O H64244 [0,1,0,0,0,1|1,0,1]=4 560 B10R1.113 c1cnc(cc1C(=O)N)Br L19854 [0,1,0,0,0,1|2,0,0]=4 561 B10R1.113 c1cnc(cc1C(=O)N)Cl H25769 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.113 c1cnc(cc1C(=O)N)I H31468 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.113 c1cnc(cc1C(=O)N)N L19843 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.113 c1cnc(cc1C(=O)O)Br L19855 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.113 c1cnc(cc1C(=O)O)Cl L19449 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.113 c1cnc(cc1C(=O)O)F 44755 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.113 c1cnc(cc1C(=O)O)I H31002 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.113 c1cnc(cc1C(=O)O)N L19845 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.113 c1cnc(cc1C(=O)O)O H64241 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.113 c1cnc(cc1Cl)C(=O)N H65265 [0,1,0,0,0,1|1,0,1]=4 571 B10R1.113 c1cnc(cc1Cl)C(=O)O H32301 [0,1,0,0,0,1|1,0,1]=4 572 B10R1.113 c1cnc(cc1O)C(=O)O H34262 [0,1,0,0,0,1|1,0,1]=4 573 B10R1.23 c1cc(sc1)C(=O)C(=O)O L05153 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.27 COC(=O)Cc1cccs1 A12110 [0,1,0,0,0,1|1,0,0]=3 575 B10R1.27 COC(=O)Cc1ccsc1 A12496 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.27 C\C(=C/c1ccco1)\C=O A10125 [0,1,0,0,0,1|1,0,0]=3 577 B10R1.54 CC(=O)Nc1ncc(s1)Cl L17151 [0,1,0,0,0,1|1,0,1]=4 578 B10R1.11 CCCC(=O)C1=CC=CC1 39404 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.11 CCCC(=O)c1ccco1 H26287 [0,2,0,0,0,0|1,0,0]=3 580 B10R1.11 CCCC(=O)c1cccs1 A15048 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.11 CCOC(=O)c1[nH]ccn1 L19405 [0,2,0,0,0,0|1,0,0]=3 582 B10R1.11 CCOC(=O)c1c[nH]cn1 H64095 [0,2,0,0,0,0|1,0,1]=4 583 B10R1.11 CCOC(=O)c1ccc[nH]1 L16382 [0,2,0,0,0,0|0,0,0]=2 584 B10R1.11 CCOC(=O)c1ccco1 A13909 [0,2,0,0,0,0|1,0,0]=3 585 B10R1.11 CCOC(=O)c1cccs1 A12302 [0,2,0,0,0,0|1,0,0]=3 586 B10R1.11 CCOC(=O)c1ccsc1 B22468 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.11 CCOC(=O)c1cnco1 H32924 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.11 C\C(=N/OC)\c1cccs1 L13550 [0,2,0,0,0,0|1,0,1]=4 589 B10R1.11 c1cc(oc1)C(=O)CC#N A14497 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.11 c1cc(sc1)C(=O)CC#N A10911 [0,2,0,0,0,0|1,0,0]=3 591 B10R1.14 COC(=O)c1cc(c[nH]1)Br H33918 [0,2,0,0,0,0|0,0,0]=2 592 B10R1.14 COC(=O)c1cc(c[nH]1)I H33193 [0,2,0,0,0,0|0,0,0]=2 593 B10R1.14 COC(=O)c1ccc(o1)Br B20524 [0,2,0,0,0,0|1,0,0]=3 594 B10R1.14 COC(=O)c1ccc(o1)N L05958 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.14 COC(=O)c1cnc(s1)Br H27410 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.14 COC(=O)c1csc(n1)Br H63541 [0,2,0,0,0,0|1,0,1]=4 597 B10R1.14 Cc1cc(n[nH]1)C(=O)OC H36130 [0,2,0,0,0,0|1,0,1]=4 598 B10R1.14 Cc1cc(no1)C(=O)OC A19814 [0,2,0,0,0,0|1,0,1]=4 599 B10R1.14 Cc1ccc(o1)C(=O)OC H27570 [0,2,0,0,0,0|1,0,0]=3 600 B10R1.14 Cc1cnc(s1)C(=O)OC H63644 [0,2,0,0,0,0|1,0,1]=4 601 B10R1.14 c1cc(sc1C(=O)NN)Br H61959 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.149 COC(=O)c1c(ccs1)Br H63813 [0,2,0,0,0,0|1,0,0]=3 603 B10R1.149 COC(=O)c1c(ccs1)Cl B20224 [0,2,0,0,0,0|1,0,0]=3 604 B10R1.149 COC(=O)c1c(ccs1)N A12802 [0,2,0,0,0,0|1,0,0]=3 605 B10R1.149 COC(=O)c1c(ccs1)O B22129 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.149 COC(=O)c1ccsc1N H55482 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.149 COC(=O)c1cscc1N 43384 [0,2,0,0,0,0|2,0,0]=4 608 B10R1.149 Cc1c(cco1)C(=O)OC A11979 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.149 Cc1ccoc1C(=O)OC A10541 [0,2,0,0,0,0|1,0,0]=3 610 B10R1.149 Cc1ccsc1C(=O)OC L18093 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.149 Cn1cccc1C(=O)OC A13095 [0,2,0,0,0,0|0,0,0]=2 612 B10R1.149 Cn1cncc1C(=O)OC 44688 [0,2,0,0,0,0|1,0,0]=3 613 B10R1.31 CC(=O)c1ccc(s1)C#N A12765 [0,2,0,0,0,0|1,0,0]=3 614 B10R1.31 CSc1ccc(s1)C(=O)O H61106 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.58 Cc1cc(sc1C)C(=O)O H27210 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.58 c1c(c(oc1C(=O)O)Br)Br L15517 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.58 c1c(c(sc1C(=O)O)Br)Br B20928 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.59 CC(=O)c1cc(sc1Cl)Cl A13867 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.59 Cc1c(sc(n1)C)C(=O)C A13741 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.59 Cc1c(sc(n1)N)C(=O)C L09108 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.59 Cc1cc(c(o1)C)C(=O)C A15545 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.59 Cc1cc(c(s1)C)C(=O)C A17329 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.39 c1[nH]c(c(n1)C#N)C(=O)N B22535 [0,2,0,0,0,0|2,0,0]=4 624 B8R1.4 Cc1cc(ccn1)N H55036 [0,0,1,1,0,0|2,0,0]=4 625 B8R1.4 Cc1cccc(c1)Br A13990 [0,0,1,1,0,0|2,0,0]=4 626 B8R1.4 Cc1cccc(c1)C L03788 [0,0,1,1,0,0|2,0,0]=4 627 B8R1.4 Cc1cccc(c1)Cl A16991 [0,0,1,1,0,0|2,0,0]=4 628 B8R1.4 Cc1cccc(c1)F A16107 [0,0,1,1,0,0|2,0,0]=4 629 B8R1.4 Cc1cccc(c1)I A10999 [0,0,1,1,0,0|2,0,0]=4 630 B8R1.4 Cc1cccc(c1)N A14058 [0,0,1,1,0,0|1,0,0]=3 631 B8R1.4 Cc1cccc(c1)O A10733 [0,0,1,1,0,0|2,0,0]=4 632 B8R1.4 Cc1cccc(c1)S B23818 [0,0,1,1,0,0|2,0,0]=4 633 B8R1.4 Cc1cccc(c1)[Zn+] H58431 [0,0,1,1,0,0|2,0,0]=4 634 B8R1.4 Cc1cccc(n1)Br L20018 [0,0,1,1,0,0|2,0,0]=4 635 B8R1.4 Cc1cccc(n1)C A10478 [0,0,1,1,0,0|2,0,0]=4 636 B8R1.4 Cc1cccc(n1)Cl B20174 [0,0,1,1,0,0|2,0,0]=4 637 B8R1.4 Cc1cccc(n1)F L01561 [0,0,1,1,0,0|2,0,0]=4 638 B8R1.4 Cc1cccc(n1)N A10444 [0,0,1,1,0,0|1,0,0]=3 639 B8R1.4 Cc1cccc(n1)O A14764 [0,0,1,1,0,0|2,0,0]=4 640 B8R1.4 Cc1cccc(n1)[Zn+] H58354 [0,0,1,1,0,0|2,0,0]=4 641 B8R1.4 Cc1ccnc(c1)N A14177 [0,0,1,1,0,0|2,0,0]=4 642 B8R1.4 Cc1ccnc(n1)N A16081 [0,0,1,1,0,0|2,0,0]=4 643 B8R1.4 Cc1cncc(n1)N H63436 [0,0,1,1,0,0|2,0,0]=4 644 B8R1.4 c1c[nH]c(=O)nc1N A14731 [0,0,1,1,0,0|2,0,0]=4 645 B8R1.4 c1cc(cc(c1)Br)N A13665 [0,0,1,1,0,0|1,0,1]=4 646 B8R1.4 c1cc(cc(c1)Cl)N A12019 [0,0,1,1,0,0|1,0,1]=4 647 B8R1.4 c1cc(cc(c1)Cl)N L13484 [0,0,1,1,0,0|1,0,1]=4 648 B8R1.4 c1cc(cc(c1)F)N A14228 [0,0,1,1,0,0|1,0,1]=4 649 B8R1.4 c1cc(cc(c1)I)N L01159 [0,0,1,1,0,0|1,0,1]=4 650 B8R1.4 c1cc(cc(c1)N)N A15339 [0,0,1,1,0,0|1,0,1]=4 651 B8R1.4 c1cc(cc(c1)O)N A11943 [0,0,1,1,0,0|0,0,2]=4 652 B8R1.4 c1cc(cc(c1)S)N B25473 [0,0,1,1,0,0|0,1,1]=4 653 B8R1.4 c1cc(nc(c1)Br)N H26555 [0,0,1,1,0,0|2,0,0]=4 654 B8R1.4 c1cc(nc(c1)Cl)N L19836 [0,0,1,1,0,0|2,0,0]=4 655 B8R1.4 c1cc(nc(c1)F)N H30629 [0,0,1,1,0,0|2,0,0]=4 656 B8R1.4 c1cc(nc(c1)N)N A12295 [0,0,1,1,0,0|2,0,0]=4 657 B8R1.4 c1cnc([nH]c1=O)N H54228 [0,0,1,1,0,0|2,0,0]=4 658 B8R1.22 c1cccc(=O)cc1 L00473 [0,0,1,1,0,0|1,0,1]=4 659 B8R1.5 Cc1c(cccn1)Br H27271 [0,0,1,1,0,0|2,0,0]=4 660 B8R1.5 Cc1c(cccn1)F H64705 [0,0,1,1,0,0|2,0,0]=4 661 B8R1.5 Cc1c(cccn1)N H27540 [0,0,1,1,0,0|1,0,0]=3 662 B8R1.5 Cc1c(cccn1)O B24944 [0,0,1,1,0,0|2,0,0]=4 663 B8R1.5 Cc1c(nccn1)N H61255 [0,0,1,1,0,0|2,0,0]=4 664 B8R1.5 Cc1ccc[nH]c1=O A12700 [0,0,1,1,0,0|2,0,0]=4 665 B8R1.5 Cc1ccccc1Br A12315 [0,0,1,1,0,0|2,0,0]=4 666 B8R1.5 Cc1ccccc1C 22902 [0,0,1,1,0,0|2,0,0]=4 667 B8R1.5 Cc1ccccc1C 32471 [0,0,1,1,0,0|2,0,0]=4 668 B8R1.5 Cc1ccccc1C A11358 [0,0,1,1,0,0|2,0,0]=4 669 B8R1.5 Cc1ccccc1Cl B23596 [0,0,1,1,0,0|2,0,0]=4 670 B8R1.5 Cc1ccccc1F A16912 [0,0,1,1,0,0|2,0,0]=4 671 B8R1.5 Cc1ccccc1I B22697 [0,0,1,1,0,0|2,0,0]=4 672 B8R1.5 Cc1ccccc1N A13602 [0,0,1,1,0,0|1,0,0]=3 673 B8R1.5 Cc1ccccc1O A12307 [0,0,1,1,0,0|2,0,0]=4 674 B8R1.5 Cc1ccccc1S B22460 [0,0,1,1,0,0|2,0,0]=4 675 B8R1.5 Cc1ccccc1[O-] 89454 [0,0,1,1,0,0|2,0,0]=4 676 B8R1.5 Cc1ccccc1[Zn+] H58749 [0,0,1,1,0,0|2,0,0]=4 677 B8R1.5 Cc1cccnc1C L03697 [0,0,1,1,0,0|2,0,0]=4 678 B8R1.5 Cc1cccnc1N A10224 [0,0,1,1,0,0|2,0,0]=4 679 B8R1.5 Cc1ccncc1N L19730 [0,0,1,1,0,0|2,0,0]=4 680 B8R1.5 c1cc(c(nc1)Br)N L19839 [0,0,1,1,0,0|2,0,0]=4 681 B8R1.5 c1cc(c(nc1)Cl)N A15830 [0,0,1,1,0,0|2,0,0]=4 682 B8R1.5 c1cc(c(nc1)N)N A14618 [0,0,1,1,0,0|2,0,0]=4 683 B8R1.5 c1cc(c(nc1)O)N H64480 [0,0,1,1,0,0|1,0,1]=4 684 B8R1.5 c1ccc(c(c1)N)Br A11788 [0,0,1,1,0,0|1,0,1]=4 685 B8R1.5 c1ccc(c(c1)N)Cl A15758 [0,0,1,1,0,0|1,0,1]=4 686 B8R1.5 c1ccc(c(c1)N)Cl L13483 [0,0,1,1,0,0|1,0,1]=4 687 B8R1.5 c1ccc(c(c1)N)F A12612 [0,0,1,1,0,0|1,0,1]=4 688 B8R1.5 c1ccc(c(c1)N)I A13059 [0,0,1,1,0,0|1,0,1]=4 689 B8R1.5 c1ccc(c(c1)N)N A11946 [0,0,1,1,0,0|1,0,1]=4 690 B8R1.5 c1ccc(c(c1)N)N J60354 [0,0,1,1,0,0|1,0,1]=4 691 B8R1.5 c1ccc(c(c1)N)O A13735 [0,0,1,1,0,0|0,0,2]=4 692 B8R1.5 c1ccc(c(c1)N)S A18952 [0,0,1,1,0,0|0,1,1]=4 693 B8R1.2 C=Cc1ccccc1 16199 [1,0,0,0,0,1|1,0,1]=4 694 B8R1.2 C=Cc1ccccc1 A18481 [1,0,0,0,0,1|1,0,1]=4 695 B8R1.2 C=Cc1ccccn1 A14056 [1,0,0,0,0,1|0,0,2]=4 696 B8R1.2 C=Cc1ccncc1 H36621 [1,0,0,0,0,1|1,0,1]=4 697 B8R1.2 C=Cc1ccncc1 L13316 [1,0,0,0,0,1|1,0,1]=4 698 B8R1.2 C=Cc1cnccn1 A14007 [1,0,0,0,0,1|0,0,2]=4 699 B8R1.2 CCc1ccccc1 L05908 [1,0,0,0,0,1|1,0,1]=4 700 B8R1.2 CCc1ccccn1 A17352 [1,0,0,0,0,1|0,0,2]=4 701 B8R1.2 CCc1cccnc1 B20318 [1,0,0,0,0,1|0,0,2]=4 702 B8R1.2 CCc1ccncc1 A12883 [1,0,0,0,0,1|1,0,1]=4 703 B8R1.2 CCc1cnccn1 A12759 [1,0,0,0,0,1|0,0,2]=4 704 B8R1.2 CNc1ccccc1 L13873 [1,0,0,0,0,1|2,0,0]=4 705 B8R1.2 CNc1ccccn1 B23589 [1,0,0,0,0,1|1,0,1]=4 706 B8R1.2 CNc1cccnc1 H63602 [1,0,0,0,0,1|1,0,1]=4 707 B8R1.2 CNc1ccncc1 L19626 [1,0,0,0,0,1|2,0,0]=4 708 B8R1.2 CNc1ncccn1 H65564 [1,0,0,0,0,1|1,0,1]=4 709 B8R1.2 COc1ccccc1 A12997 [1,0,0,0,0,1|2,0,0]=4 710 B8R1.2 COc1ccccn1 A13675 [1,0,0,0,0,1|1,0,1]=4 711 B8R1.2 COc1ccncc1 L19625 [1,0,0,0,0,1|2,0,0]=4 712 B8R1.2 COc1cnccn1 A10297 [1,0,0,0,0,1|1,0,1]=4 713 B8R1.2 CSc1ccccc1 A14846 [1,0,0,0,0,1|2,0,0]=4 714 B8R1.2 CSc1cnccn1 B25279 [1,0,0,0,0,1|1,0,1]=4 715 B8R1.2 C[NH2+]c1ccccc1 A17781 [1,0,0,0,0,1|2,0,0]=4 716 B8R1.2 c1c(cncn1)C=O H54448 [1,0,0,0,0,1|1,0,1]=4 717 B8R1.2 c1cc(cnc1)C=O A14607 [1,0,0,0,0,1|0,0,1]=3 718 B8R1.2 c1ccc(cc1)C=O 30749 [1,0,0,0,0,1|1,0,0]=3 719 B8R1.2 c1ccc(cc1)C=O A10348 [1,0,0,0,0,1|1,0,0]=3 720 B8R1.2 c1ccc(cc1)C=O L19475 [1,0,0,0,0,1|1,0,0]=3 721 B8R1.2 c1ccc(cc1)I=O B24531 [1,0,0,0,0,1|2,0,0]=4 722 B8R1.2 c1ccc(cc1)[As]=O A14674 [1,0,0,0,0,1|2,0,0]=4 723 B8R1.2 c1ccnc(c1)C=O A11391 [1,0,0,0,0,1|0,0,1]=3 724 B8R1.2 c1cnccc1C=O A10656 [1,0,0,0,0,1|1,0,0]=3 725 B10R1.18 CC(=C)Cc1ccccc1 B20370 [0,0,0,0,0,2|2,0,0]=4 726 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [0,0,0,0,0,2|2,0,0]=4 727 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [0,0,0,0,0,2|2,0,0]=4 728 B10R1.18 CC(=O)Cc1ccncc1 L18667 [0,0,0,0,0,2|1,0,0]=3 729 B10R1.18 CC(=O)Nc1ccccc1 A14361 [0,0,0,0,0,2|1,0,0]=3 730 B10R1.18 CC(=O)Oc1ccccc1 B22561 [0,0,0,0,0,2|1,0,0]=3 731 B10R1.18 CC(=O)Oc1ccccc1 L19598 [0,0,0,0,0,2|1,0,0]=3 732 B10R1.18 CC(=O)Sc1ccccc1 H55175 [0,0,0,0,0,2|1,0,0]=3 733 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [0,0,0,0,0,2|1,0,1]=4 734 B10R1.18 c1cc(cnc1)CC(=O)O A15599 [0,0,0,0,0,2|1,0,1]=4 735 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [0,0,0,0,0,2|2,0,0]=4 736 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [0,0,0,0,0,2|2,0,0]=4 737 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [0,0,0,0,0,2|2,0,0]=4 738 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [0,0,0,0,0,2|2,0,0]=4 739 B10R1.18 c1ccc(cc1)OC(=O)Cl A12618 [0,0,0,0,0,2|2,0,0]=4 740 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [0,0,0,0,0,2|2,0,0]=4 741 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [0,0,0,0,0,2|1,0,1]=4 742 B10R1.18 c1ccnc(c1)CC(=O)O L04870 [0,0,0,0,0,2|1,0,1]=4 743 B10R1.18 c1cnccc1CC(=O)N B24734 [0,0,0,0,0,2|2,0,0]=4 744 B10R1.18 c1cnccc1CC(=O)O A14348 [0,0,0,0,0,2|2,0,0]=4 745 B10R1.66 CC(=O)OCc1ccco1 A15285 [0,0,0,0,0,2|1,0,0]=3 746 B10R1.66 CC(=O)SCc1ccco1 B21821 [0,0,0,0,0,2|1,0,0]=3 747 B10R1.66 CC(=O)\C=C\c1ccco1 A19456 [0,0,0,0,0,2|1,0,0]=3 748 B10R1.66 CC(=O)\C=C\c1cccs1 B25191 [0,0,0,0,0,2|1,0,0]=3 749 B10R1.66 c1cc(oc1)CCC(=O)O H27273 [0,0,0,0,0,2|2,0,0]=4 750 B10R1.66 c1cc(oc1)\C=C\C(=O)O B21653 [0,0,0,0,0,2|2,0,0]=4 751 B10R1.66 c1cc(sc1)\C=C\C(=O)O A10342 [0,0,0,0,0,2|2,0,0]=4