0 B10R1.119 Cc1c(c(ccc1F)Br)C H31930 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.119 Cc1c(c(ccc1F)F)C H32548 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.119 Cc1c(c(ccc1N)F)C H31560 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.119 Cc1c(ccc(c1Cl)Br)F H63276 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.119 Cc1c(ccc(c1F)Br)F H26159 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.119 Cc1c(ccc(c1F)F)Br H32941 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.119 Cc1c(ccc(c1F)F)F H63897 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.119 Cc1ccc(c(c1C)C)C L19756 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.119 Cc1ccc(c(c1C)N)N L07455 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.119 Cc1ccc(c(c1C)O)C H60489 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.119 Cc1ccc(c(c1Cl)N)F H26312 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.119 Cc1ccc(c(c1Cl)O)F H26721 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.119 Cc1ccc(c(c1F)F)F H61421 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.119 Cc1ccc(c(c1F)F)N H26731 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.119 Cc1ccc(c(c1F)F)O H26821 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.119 Cc1ccc(c(c1F)N)Cl H26757 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.119 Cc1ccc(c(c1F)N)F H26656 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.119 Cc1ccc(c(c1F)O)Cl B23113 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.119 Cc1ccc(c(c1F)O)F B24082 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.119 Cc1ccc(c(c1N)C)Cl B21851 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.119 Cc1ccc(c(c1N)C)Cl B22232 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.119 Cc1cnc(c(c1C)O)C H52357 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.119 Cn1ccc(=O)n(c1=O)C L19664 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.119 c1cc(c(c(c1Cl)O)F)Cl H32964 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.119 c1cc(c(c(c1F)F)O)Cl H33871 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.119 c1cc(c(c(c1F)O)Cl)Cl H26776 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.119 c1cc(c(c(c1F)O)Cl)F B22795 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.119 c1cc(c(c(c1F)O)F)Cl B22790 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.119 c1cc(c(c(c1F)O)F)F B20379 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.119 c1cc(c(c(c1N)O)F)F H63249 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.3 Cc1c(c(=O)cco1)O A10735 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.3 Cc1c(cccc1Br)Br A11832 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.3 Cc1c(cccc1Br)Cl B25697 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.3 Cc1c(cccc1Br)F L07511 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.3 Cc1c(cccc1Br)N A11884 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.3 Cc1c(cccc1Cl)Cl B24463 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.3 Cc1c(cccc1Cl)F A15650 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.3 Cc1c(cccc1Cl)N A18221 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.3 Cc1c(cccc1Cl)[Mg+] H54246 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.3 Cc1c(cccc1F)F B25076 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.3 Cc1c(cccc1F)N B22764 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.3 Cc1c(cccc1I)Cl A11582 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.3 Cc1c(cccc1I)F H55149 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.3 Cc1c(cccc1N)N L04278 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.3 Cc1c(cccc1O)N H66554 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.3 Cc1c(cccc1O)O A11821 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.3 Cc1c(cccc1[Mg+])F H54113 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.3 Cc1cccc(c1Br)C A13130 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.3 Cc1cccc(c1Br)F H61785 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.3 Cc1cccc(c1Br)N H64014 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.3 Cc1cccc(c1C)Br A15889 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.3 Cc1cccc(c1C)Cl B21505 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.3 Cc1cccc(c1C)F A10637 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.3 Cc1cccc(c1C)I A11774 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.3 Cc1cccc(c1C)N A10918 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.3 Cc1cccc(c1C)O B22860 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.3 Cc1cccc(c1C)[Mg+] H54871 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.3 Cc1cccc(c1Cl)C A17867 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.3 Cc1cccc(c1Cl)Cl A11206 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.3 Cc1cccc(c1F)Br H61492 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.3 Cc1cccc(c1F)C A10424 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.3 Cc1cccc(c1F)F B23958 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.3 Cc1cccc(c1F)N H61143 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.3 Cc1cccc(c1I)C A13439 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.3 Cc1cccc(c1I)Cl L06824 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.3 Cc1cccc(c1I)F H63151 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.3 Cc1cccc(c1N)C A14512 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.3 Cc1cccc(c1N)Cl L02629 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.3 Cc1cccc(c1N)F H55853 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.3 Cc1cccc(c1N)N A15647 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.3 Cc1cccc(c1O)C A11947 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.3 Cc1cccc(c1O)Cl L03617 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.3 Cc1cccc(c1O)O A12324 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.3 Cc1cccc(c1S)C A13286 [1,0,0,0,0,0|2,1,0]=4 74 B9R1.3 Cc1cccc(c1S)Cl L10499 [1,0,0,0,0,0|2,1,0]=4 75 B9R1.3 Cc1cccc(c1[Mg+])C H54138 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.3 Cc1ccnc(c1N)C H66732 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.3 c1cc(c(c(c1)Br)O)Br A10573 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.3 c1cc(c(c(c1)Br)O)O H26925 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.3 c1cc(c(c(c1)Cl)Cl)O B22943 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.3 c1cc(c(c(c1)Cl)F)O H26725 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.3 c1cc(c(c(c1)Cl)O)Cl A14411 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.3 c1cc(c(c(c1)Cl)O)F B23303 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.3 c1cc(c(c(c1)F)F)O A16971 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.3 c1cc(c(c(c1)F)O)F A16034 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.3 c1cc(c(c(c1)F)O)N H66626 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.3 c1cc(c(c(c1)F)O)O B22145 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.3 c1cc(c(c(c1)O)I)O H35941 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.3 c1cc(c(c(c1)O)O)O 44152 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.3 c1cc(c(c(c1)O)O)O A13405 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.69 C1=CC(=O)C(=CC1=O)Cl B21395 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.69 CC1=CC(=O)C=CC1=O 36670 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.69 Cc1cc(c(nc1)C)C B23537 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.69 Cc1cc(ccc1Br)Br A19418 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.69 Cc1cc(ccc1Br)Cl A14132 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.69 Cc1cc(ccc1Br)F A11112 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.69 Cc1cc(ccc1Br)I B22462 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.69 Cc1cc(ccc1Br)N A15417 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.69 Cc1cc(ccc1Br)O L17510 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.69 Cc1cc(ccc1Cl)Br A10602 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.69 Cc1cc(ccc1Cl)Cl A13039 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.69 Cc1cc(ccc1Cl)F A19686 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.69 Cc1cc(ccc1Cl)N B22234 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.69 Cc1cc(ccc1Cl)O A17823 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.69 Cc1cc(ccc1Cl)[Mg+] H54052 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.69 Cc1cc(ccc1F)Br A10721 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.69 Cc1cc(ccc1F)Cl L07615 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.69 Cc1cc(ccc1F)F B22544 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.69 Cc1cc(ccc1F)I L08396 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.69 Cc1cc(ccc1F)N A15482 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.69 Cc1cc(ccc1F)O L19897 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.69 Cc1cc(ccc1F)[Mg+] H54585 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.69 Cc1cc(ccc1I)Br B21878 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.69 Cc1cc(ccc1I)Cl B21681 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.69 Cc1cc(ccc1N)Br A15543 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.69 Cc1cc(ccc1N)Br B25511 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.69 Cc1cc(ccc1N)F A11609 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.69 Cc1cc(ccc1N)I L02306 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.69 Cc1cc(ccc1N)N L07388 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.69 Cc1cc(ccc1N)O B23152 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.69 Cc1cc(ccc1O)Br H32307 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.69 Cc1cc(ccc1O)Cl L04164 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.69 Cc1cc(ccc1O)F A16032 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.69 Cc1cc(ccc1O)O B21241 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.69 Cc1cc(ccc1[Mg+])Cl H54697 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.69 Cc1cc(ccc1[Mg+])F H54865 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.69 Cc1cc(ccc1[Zn+])Br H58562 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.69 Cc1ccc(c(c1)Br)Br A13351 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.69 Cc1ccc(c(c1)Br)C A14358 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.69 Cc1ccc(c(c1)Br)F B21523 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.69 Cc1ccc(c(c1)Br)N A13818 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.69 Cc1ccc(c(c1)Br)O B21701 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.69 Cc1ccc(c(c1)C)Br A10212 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.69 Cc1ccc(c(c1)C)C 12411 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.69 Cc1ccc(c(c1)C)Cl B21275 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.69 Cc1ccc(c(c1)C)I A16878 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.69 Cc1ccc(c(c1)C)N L02744 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.69 Cc1ccc(c(c1)C)O A11966 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.69 Cc1ccc(c(c1)C)S B23161 [1,0,0,0,0,0|2,1,0]=4 139 B9R1.69 Cc1ccc(c(c1)C)[Mg+] H54134 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.69 Cc1ccc(c(c1)C)[Zn+] H58149 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.69 Cc1ccc(c(c1)Cl)Cl A10763 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.69 Cc1ccc(c(c1)Cl)F H63822 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.69 Cc1ccc(c(c1)Cl)N B22935 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.69 Cc1ccc(c(c1)F)Br A19142 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.69 Cc1ccc(c(c1)F)Cl H32272 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.69 Cc1ccc(c(c1)F)F 41789 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.69 Cc1ccc(c(c1)F)I H53491 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.69 Cc1ccc(c(c1)F)N A16591 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.69 Cc1ccc(c(c1)F)O H26138 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.69 Cc1ccc(c(c1)I)C L01055 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.69 Cc1ccc(c(c1)N)Br H61639 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.69 Cc1ccc(c(c1)N)C A12682 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.69 Cc1ccc(c(c1)N)Cl H26209 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.69 Cc1ccc(c(c1)N)F L13411 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.69 Cc1ccc(c(c1)N)N B24378 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.69 Cc1ccc(c(c1)N)O A19546 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.69 Cc1ccc(c(c1)O)C A17755 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.69 Cc1ccc(c(c1)O)Cl L00816 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.69 Cc1ccc(c(c1)O)F B20275 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.69 Cc1ccc(c(c1)O)N B23560 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.69 Cc1ccc(c(c1)O)O L04495 [1,0,0,0,0,0|1,0,1]=3 162 B9R1.69 Cc1ccc(c(c1)S)C B24164 [1,0,0,0,0,0|2,1,0]=4 163 B9R1.69 Cc1ccc(c(c1)S)S L15003 [1,0,0,0,0,0|1,2,0]=4 164 B9R1.69 Cc1ccc(c(c1)[Mg+])C H54073 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.69 Cc1ccc(c(c1)[Zn+])C H58646 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.69 Cc1ccc(cc1Br)Br H63869 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.69 Cc1ccc(cc1Br)Cl B25329 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.69 Cc1ccc(cc1Br)F A12792 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.69 Cc1ccc(cc1Br)N B24670 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.69 Cc1ccc(cc1Br)O H28689 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.69 Cc1ccc(cc1C)Br A14736 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.69 Cc1ccc(cc1C)Cl A19032 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.69 Cc1ccc(cc1C)F A18253 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.69 Cc1ccc(cc1C)I A13232 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.69 Cc1ccc(cc1C)N A16928 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.69 Cc1ccc(cc1C)O A10599 [1,0,0,0,0,0|1,0,1]=3 177 B9R1.69 Cc1ccc(cc1C)S B23168 [1,0,0,0,0,0|1,1,0]=3 178 B9R1.69 Cc1ccc(cc1C)[Mg+] H54346 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.69 Cc1ccc(cc1C)[Zn+] H58165 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.69 Cc1ccc(cc1Cl)Br B22293 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.69 Cc1ccc(cc1Cl)Cl B24406 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.69 Cc1ccc(cc1Cl)F B20278 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.69 Cc1ccc(cc1Cl)I B20974 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.69 Cc1ccc(cc1Cl)N A15439 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.69 Cc1ccc(cc1Cl)N H31342 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.69 Cc1ccc(cc1Cl)O H27385 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.69 Cc1ccc(cc1Cl)[Mg+] H54075 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.69 Cc1ccc(cc1F)Br A15891 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.69 Cc1ccc(cc1F)Cl A14753 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.69 Cc1ccc(cc1F)F A11667 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.69 Cc1ccc(cc1F)I A12679 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.69 Cc1ccc(cc1F)N A14484 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.69 Cc1ccc(cc1F)O H31864 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.69 Cc1ccc(cc1F)[Mg+] H54830 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.69 Cc1ccc(cc1F)[Zn+] H58775 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.69 Cc1ccc(cc1I)F L06833 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.69 Cc1ccc(cc1I)N A11485 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.69 Cc1ccc(cc1N)Cl B21392 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.69 Cc1ccc(cc1N)F B25381 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.69 Cc1ccc(cc1N)I L07404 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.69 Cc1ccc(cc1N)N B23495 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.69 Cc1ccc(cc1O)Br H26956 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.69 Cc1ccc(cc1O)Cl B25527 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.69 Cc1ccc(cc1O)F B25606 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.69 Cc1ccc(cc1O)N H66252 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.69 Cc1ccc(cc1[Mg+])Cl H54415 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.69 Cc1ccc(cc1[Mg+])F H54234 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.69 Cc1ccc(cc1[Zn+])F H58892 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.69 c1cc(c(cc1Br)O)Cl B25452 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.69 c1cc(c(cc1Br)O)F H61518 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.69 c1cc(c(cc1Cl)O)Cl B24787 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.69 c1cc(c(cc1Cl)O)N H64978 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.69 c1cc(c(cc1F)O)Br A15064 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.69 c1cc(c(cc1F)O)Cl H28567 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.69 c1cc(c(cc1F)O)F A18744 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.69 c1cc(c(cc1F)O)N H32928 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.69 c1cc(c(cc1N)O)Cl H66371 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.69 c1cc(c(cc1N)O)F H33821 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.69 c1cc(c(cc1O)O)Br H66087 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.69 c1cc(c(cc1O)O)Cl B24076 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.69 c1cc(c(cc1O)O)F H60426 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.69 c1cc(c(cc1O)O)O A13069 [1,0,0,0,0,0|2,0,1]=4 223 B11R1.32 Cc1c(cc(c(c1Br)O)Br)Br L09183 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.32 Cc1c(cc(c(c1Cl)O)N)Cl A18547 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.32 Cc1cc(c(c(c1C)Br)C)C L01465 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.32 Cc1cc(c(c(c1C)C)C)C L04163 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.32 Cc1cc(c(c(c1C)I)C)C A15716 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.32 Cc1cc(c(c(c1O)C)C)O B22819 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.32 Cn1c(=O)cc(n(c1=O)C)Cl A12755 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.32 Cn1cc(c(=O)n(c1=O)C)I B25173 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.72 Cc1ccc(c(c1Cl)CO)F L19148 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.72 Cc1ccc(c(c1Cl)OC)F H26596 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.72 Cc1ccc(c(c1F)CO)Cl L19113 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.72 Cc1ccc(c(c1F)OC)Cl H26579 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.72 Cc1ccc(c(c1F)OC)F H26722 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.278 COc1ccc(c(c1Cl)O)F H32204 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.278 COc1ccc(c(c1F)O)Cl H32654 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.278 COc1ccc(c(c1F)O)F H26812 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.278 Cc1ccc(c(c1F)F)C=O B22946 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.278 c1cc(c(c(c1C=O)O)O)O A13745 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.37 CC1C=C(C(=C1C)C)C H27840 [0,0,0,0,1,0|3,0,0]=4 242 B9R1.37 Cc1c(c(n(n1)C)C)Br L11876 [0,0,0,0,1,0|3,0,0]=4 243 B9R1.37 Cc1c(c(n(n1)C)C)N L10625 [0,0,0,0,1,0|3,0,0]=4 244 B8R0.19 C\C(=C\C(=O)OC)\NC B20199 [1,0,1,0,0,0|1,0,1]=4 245 B8R1.4 Cc1cc(ccn1)Br H27884 [2,0,0,0,0,0|1,0,1]=4 246 B8R1.4 Cc1cc(ccn1)Cl B24719 [2,0,0,0,0,0|1,0,1]=4 247 B8R1.4 Cc1cc(ccn1)Cl H64093 [2,0,0,0,0,0|1,0,1]=4 248 B8R1.4 Cc1cc(ccn1)F H64284 [2,0,0,0,0,0|1,0,1]=4 249 B8R1.4 Cc1cc(ccn1)N H55036 [2,0,0,0,0,0|1,0,1]=4 250 B8R1.4 Cc1cc(cnc1)O H32658 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.4 Cc1cccc(c1)Br A13990 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.4 Cc1cccc(c1)C L03788 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.4 Cc1cccc(c1)Cl A16991 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.4 Cc1cccc(c1)F A16107 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.4 Cc1cccc(c1)I A10999 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.4 Cc1cccc(c1)N A14058 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.4 Cc1cccc(c1)O A10733 [2,0,0,0,0,0|1,0,0]=3 258 B8R1.4 Cc1cccc(c1)S B23818 [2,0,0,0,0,0|1,1,0]=4 259 B8R1.4 Cc1cccc(c1)[Zn+] H58431 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.4 Cc1cccc(n1)O A14764 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.4 Cc1ccnc(c1)C B22913 [2,0,0,0,0,0|1,0,1]=4 262 B8R1.4 Cc1ccnc(c1)O L16188 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.4 c1c[nH]c(=O)[nH]c1=O A15570 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.4 c1c[nH]c(=S)[nH]c1=O A18119 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.4 c1cc(cc(c1)Br)O A14849 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.4 c1cc(cc(c1)Cl)O A13671 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.4 c1cc(cc(c1)F)O A13598 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.4 c1cc(cc(c1)I)O A11155 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.4 c1cc(cc(c1)O)N A11943 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.4 c1cc(cc(c1)O)O 36248 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.4 c1cc(cc(c1)O)O A13080 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.5 BN1=C(C=CC=C1)C H66642 [2,0,0,0,0,0|1,0,1]=4 273 B8R1.5 C[n+]1ccccc1Cl A12820 [2,0,0,0,0,0|1,0,1]=4 274 B8R1.5 Cc1c(cccn1)Br H27271 [2,0,0,0,0,0|1,0,1]=4 275 B8R1.5 Cc1c(cccn1)F H64705 [2,0,0,0,0,0|1,0,1]=4 276 B8R1.5 Cc1c(cccn1)N H27540 [2,0,0,0,0,0|1,0,1]=4 277 B8R1.5 Cc1c(cccn1)O B24944 [2,0,0,0,0,0|0,0,1]=3 278 B8R1.5 Cc1c(nccn1)O H51880 [2,0,0,0,0,0|1,0,1]=4 279 B8R1.5 Cc1ccc[nH]c1=O A12700 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.5 Cc1cccc[n+]1[O-] L04488 [2,0,0,0,0,0|1,0,1]=4 281 B8R1.5 Cc1ccccc1Br A12315 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.5 Cc1ccccc1C 22902 [2,0,0,0,0,0|1,0,0]=3 283 B8R1.5 Cc1ccccc1C 32471 [2,0,0,0,0,0|1,0,0]=3 284 B8R1.5 Cc1ccccc1C A11358 [2,0,0,0,0,0|1,0,0]=3 285 B8R1.5 Cc1ccccc1Cl B23596 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.5 Cc1ccccc1F A16912 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.5 Cc1ccccc1I B22697 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.5 Cc1ccccc1N A13602 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.5 Cc1ccccc1O A12307 [2,0,0,0,0,0|1,0,0]=3 290 B8R1.5 Cc1ccccc1S B22460 [2,0,0,0,0,0|1,1,0]=4 291 B8R1.5 Cc1ccccc1[O-] 89454 [2,0,0,0,0,0|1,0,1]=4 292 B8R1.5 Cc1ccccc1[Zn+] H58749 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.5 Cc1cccnc1C L03697 [2,0,0,0,0,0|1,0,1]=4 294 B8R1.5 Cc1ccncc1C L03489 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.5 Cc1cnccc1O H32265 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.5 Cn1ccccc1=O B24244 [2,0,0,0,0,0|1,0,0]=3 297 B8R1.5 c1c(c(=O)nc[nH]1)Br H35395 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.5 c1cc(c(nc1)Br)O A12687 [2,0,0,0,0,0|1,0,1]=4 299 B8R1.5 c1cc(c(nc1)Cl)O A11376 [2,0,0,0,0,0|1,0,1]=4 300 B8R1.5 c1cc(c(nc1)F)O H32862 [2,0,0,0,0,0|1,0,1]=4 301 B8R1.5 c1cc(c(nc1)I)O L08667 [2,0,0,0,0,0|1,0,1]=4 302 B8R1.5 c1cc(c(nc1)N)O A10665 [2,0,0,0,0,0|1,0,1]=4 303 B8R1.5 c1cc(c(nc1)O)O L07104 [2,0,0,0,0,0|1,0,1]=4 304 B8R1.5 c1ccc(c(c1)N)O A13735 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.5 c1ccc(c(c1)O)Br A14112 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.5 c1ccc(c(c1)O)Cl A10311 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.5 c1ccc(c(c1)O)F A14979 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.5 c1ccc(c(c1)O)I A13599 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.5 c1ccc(c(c1)O)O A10164 [2,0,0,0,0,0|1,0,1]=4 310 B8R1.5 c1ccc(c(c1)O)S L12519 [2,0,0,0,0,0|1,1,0]=4 311 B8R1.5 c1cncc(c1N)O H35280 [2,0,0,0,0,0|1,0,1]=4 312 B8R1.3 C1=CC(=O)C=CC1=O A13162 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.3 Cc1ccc(cc1)Br A15843 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.3 Cc1ccc(cc1)C A10534 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.3 Cc1ccc(cc1)Cl L04672 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.3 Cc1ccc(cc1)F A10365 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.3 Cc1ccc(cc1)I A15631 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.3 Cc1ccc(cc1)N A13698 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.3 Cc1ccc(cc1)O A13531 [2,0,0,0,0,0|1,0,1]=4 320 B8R1.3 Cc1ccc(cc1)S B24970 [2,0,0,0,0,0|1,1,0]=4 321 B8R1.3 Cc1ccc(cc1)[S-] H55095 [2,0,0,0,0,0|1,1,0]=4 322 B8R1.3 Cc1ccc(cc1)[Zn+] H58338 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.2 CCc1cccc(c1O)C B25213 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.2 COc1cccc(c1O)Br B25535 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.2 COc1cccc(c1O)F H26471 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.2 COc1cccc(c1O)O B20006 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.2 Cc1c(cccc1Cl)OC B22203 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.2 Cc1c(cccc1F)CBr H26784 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.2 Cc1c(cccc1F)CN H26237 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.2 Cc1cccc(c1C)C#N A11589 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.2 Cc1cccc(c1C)C=O H64425 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.2 Cc1cccc(c1C)NN A16526 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.2 Cc1cccc(c1C)OC A19992 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.2 c1cc(c(c(c1)F)O)C=O L19324 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.2 c1cc(c(c(c1)O)O)C=O A13490 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.2 c1cnc(c(c1C=O)O)Br H55187 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.22 Cc1cc(c(c(c1)C)O)C A15041 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.22 Cc1cc(c(c(c1)O)C)C A10745 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.22 Cc1cc(cc(c1C)C)O L02911 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.22 Cc1cc(cc(c1O)C)Br B21669 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.22 Cc1cc(cc(c1O)C)Cl A13649 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.22 Cc1cc(cc(c1O)C)I A19840 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.22 Cc1cc(cc(c1O)Cl)Cl H64312 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.22 Cc1cc(cn(c1=O)C)Br H52279 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.245 Cc1cccc(c1CN)Cl L11249 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.245 Cc1cccc(c1CO)C H61409 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.245 Cc1cccc(c1OC)C B20365 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.25 Cc1cc(ccc1CBr)F H26849 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.25 Cc1cc(ccc1CN)F H26624 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.25 Cc1cc(ccc1CO)Cl H27554 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.25 Cc1cc(ccc1CO)F H32364 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.25 Cc1cc(ccc1OC)Br B21621 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.25 Cc1cc(ccc1OC)Cl B24261 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.25 Cc1cc(ccc1OC)F A16031 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.25 Cc1cc(ccc1SC)O L07353 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.25 Cc1ccc(c(c1)Br)C=O H27558 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.25 Cc1ccc(c(c1)C)C=O A14655 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.25 Cc1ccc(c(c1)C)CCl L02810 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.25 Cc1ccc(c(c1)C)CO L02899 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.25 Cc1ccc(c(c1)F)C=O H26626 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.25 Cc1ccc(c(c1)O)C=O H33909 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.25 Cc1ccc(c(c1)O)OC L09044 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.25 c1cc(c(cc1Br)O)C=O H54850 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.25 c1cc(c(cc1F)O)C=O H26149 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.25 c1cc(c(cc1O)O)C=O A12868 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.30 Cc1ccc(c(c1)CCl)C L01303 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.30 Cc1ccc(c(c1)CO)C L01624 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.30 Cc1ccc(c(c1)OC)C B20456 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.30 Cc1ccc(c(c1)OC)F L18182 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.30 Cc1ccc(c(c1)OC)O A13603 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.30 Cc1ccc(cc1CBr)F H26853 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.30 Cc1ccc(cc1CCl)F H32355 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.30 Cc1ccc(cc1CN)F H26613 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.30 Cc1ccc(cc1CO)F H32648 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.30 Cc1ccc(cc1OC)Br H30391 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.30 Cc1ccc(cc1OC)F B25629 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.30 Cc1ccc(cc1OC)N H50362 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.118 C1=C(C(=O)C=C(C1=O)O)O A11442 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.118 Cc1cc(c(cc1C)Br)Br B22727 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.118 Cc1cc(c(cc1C)Br)C B23271 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.118 Cc1cc(c(cc1C)C)C L04493 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.118 Cc1cc(c(cc1C)Cl)O L01627 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.118 Cc1cc(c(cc1C)N)N H32695 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.118 Cc1cc(c(cc1C)O)C H50427 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.118 Cc1cc(c(cc1I)C)O H50565 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.176 CCc1ccc(c(c1)O)O A12048 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.176 Cc1cc(ccc1F)C=O B23526 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.176 Cc1ccc(cc1C)C#N A14379 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.176 Cc1ccc(cc1C)C=O A15388 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.176 Cc1ccc(cc1C)CN H50280 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.176 Cc1ccc(cc1C)CO B24926 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.176 Cc1ccc(cc1C)NN A13027 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.176 Cc1ccc(cc1C)OC B22735 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.176 Cc1ccc(cc1F)C=O B23736 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.176 c1cc(c(cc1CN)O)O B21833 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.176 c1cc(c(cc1CO)O)Br H66253 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.705 Cc1cc(c(c(c1C)CO)C)C L02384 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O B20272 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O B25313 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.893 Cc1ccc(c(c1C)N)[N+](=O)[O-] A10412 [0,2,0,0,0,0|2,0,0]=4 401 B8R1.50 Cc1n(cc[n+]1C)C H59724 [1,0,0,0,1,0|2,0,0]=4 402 B8R1.18 Cc1cc(n(n1)C)C A12504 [1,0,0,0,1,0|2,0,0]=4