0 B14R2.203 CC[n+]1c(ccc2c1cccc2)C TS58881 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.203 Cc1ccc2ccccc2c1CCl TS51212 [0,0,0,0,0,0|2,0,0]=2 2 B14R2.203 c1cc2c(ccc(c2C#N)N)nc1 TS12676 [0,0,0,0,0,0|2,0,2]=4 3 B14R2.203 c1ccc2c(c1)CNC(=O)C2CN TS46122 [0,0,0,0,0,0|1,0,3]=4 4 B14R2.203 c1ccc2c(c1)ccc(c2N=O)O TS13314 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.32 Cc1c(ccc2c1nccc2)Cl TS14110 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.32 Cc1c2ccccc2ccc1O TS10990 [1,0,0,0,0,0|0,0,0]=1 7 B13R2.32 Cc1c2ccccc2ncc1N TS65074 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.32 Cc1ccc2c(c1N)cccn2 TS41927 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.32 Cc1ccc2ccccc2c1Br TS49911 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.32 Cc1ccc2ccccc2c1C TS10742 [1,0,0,0,0,0|1,0,0]=2 11 B13R2.32 Cc1ccc2ccccc2c1N TS17754 [1,0,0,0,0,0|1,0,0]=2 12 B13R2.32 Cc1ccc2ccccc2c1N TS41806 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.32 Cc1ccc2ccccc2c1O TS55445 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.32 Cc1ccc2cccnc2c1N TS41917 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.32 Cc1ccc2cnccc2c1Br TS85283 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.32 Cc1cnc2ccccc2c1N TS11004 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.32 Cc1coc2ccccc2c1=O TS42143 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.32 Cn1c2ccccc2ccc1=O TS46987 [1,0,0,0,0,0|1,0,1]=3 19 B13R2.32 c1cc(c(c2c1ccnc2)Cl)Cl TS18559 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.32 c1cc2ccc(c(c2nc1)O)F TS11666 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.32 c1ccc2c(c1)C=CC(=O)C2=O TS41864 [1,0,0,0,0,0|1,0,1]=3 22 B13R2.32 c1ccc2c(c1)C=CC(C2O)O TS11543 [1,0,0,0,0,0|1,0,2]=4 23 B13R2.32 c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O TS42439 [1,0,0,0,0,0|1,0,2]=4 24 B13R2.32 c1ccc2c(c1)c(=O)c(co2)Br TS52112 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)Br TS35018 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)Cl TS65081 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)N TS70876 [1,0,0,0,0,0|2,0,0]=3 28 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)O TS50421 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.32 c1ccc2c(c1)c(c(cn2)Cl)O TS66012 [1,0,0,0,0,0|3,0,0]=4 30 B13R2.32 c1ccc2c(c1)c(c(cn2)N)Br TS23602 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.32 c1ccc2c(c1)c(c(cn2)N)N TS42063 [1,0,0,0,0,0|2,0,0]=3 32 B13R2.32 c1ccc2c(c1)ccc(c2Br)O TS39656 [1,0,0,0,0,0|1,0,0]=2 33 B13R2.32 c1ccc2c(c1)ccc(c2I)O TS30742 [1,0,0,0,0,0|1,0,0]=2 34 B13R2.32 c1ccc2c(c1)ccc(c2N)N TS41934 [1,0,0,0,0,0|1,0,0]=2 35 B13R2.32 c1ccc2c(c1)ccc(c2O)Br TS23598 [1,0,0,0,0,0|2,0,0]=3 36 B13R2.32 c1ccc2c(c1)ccc(c2O)F TS42429 [1,0,0,0,0,0|2,0,0]=3 37 B13R2.32 c1ccc2c(c1)ccc(c2O)N TS53566 [1,0,0,0,0,0|2,0,0]=3 38 B13R2.32 c1ccc2c(c1)ccc(c2O)O TS42142 [1,0,0,0,0,0|1,0,0]=2 39 B13R2.1613 C#Cc1cccc2c1cccn2 TS00299 [1,0,0,0,0,0|2,0,1]=4 40 B13R2.1613 C=Cc1cccc2c1cccc2 TS10456 [1,0,0,0,0,0|1,0,1]=3 41 B13R2.1613 CC[n+]1cccc2c1cccc2 TS34811 [1,0,0,0,0,0|2,0,0]=3 42 B13R2.1613 CCc1cccc2c1cccc2 TS41665 [1,0,0,0,0,0|1,0,0]=2 43 B13R2.1613 CCc1cccc2c1nccc2 TS10879 [1,0,0,0,0,0|2,0,0]=3 44 B13R2.1613 CNc1cccc2c1cccc2 TS17753 [1,0,0,0,0,0|2,0,0]=3 45 B13R2.1613 CNc1cccc2c1cccc2 TS56412 [1,0,0,0,0,0|2,0,0]=3 46 B13R2.1613 COc1cccc2c1cccc2 TS10988 [1,0,0,0,0,0|2,0,0]=3 47 B13R2.1613 COc1cccc2c1cncc2 TS33015 [1,0,0,0,0,0|3,0,0]=4 48 B13R2.1613 COc1cccc2c1nccc2 TS11145 [1,0,0,0,0,0|3,0,0]=4 49 B13R2.1613 COc1ccnc2c1cccc2 TS42047 [1,0,0,0,0,0|3,0,0]=4 50 B13R2.1613 c1cc(c2cccnc2c1)C#N TS10433 [1,0,0,0,0,0|1,0,2]=4 51 B13R2.1613 c1cc(c2cccnc2c1)C=O TS59381 [1,0,0,0,0,0|2,0,1]=4 52 B13R2.1613 c1cc(c2cccnc2c1)CN TS08209 [1,0,0,0,0,0|1,0,0]=2 53 B13R2.1613 c1cc(c2cccnc2c1)CO TS11146 [1,0,0,0,0,0|2,0,0]=3 54 B13R2.1613 c1cc2cccnc2c(c1)C=O TS01871 [1,0,0,0,0,0|2,0,1]=4 55 B13R2.1613 c1cc2cccnc2c(c1)CBr TS23396 [1,0,0,0,0,0|2,0,0]=3 56 B13R2.1613 c1cc2cccnc2c(c1)CI TS30626 [1,0,0,0,0,0|2,0,0]=3 57 B13R2.1613 c1cc2cccnc2c(c1)CO TS11144 [1,0,0,0,0,0|2,0,0]=3 58 B13R2.1613 c1cc2cccnc2c(c1)NN TS53270 [1,0,0,0,0,0|2,0,0]=3 59 B13R2.1613 c1cc2cccnc2c(c1)N[NH3+] TS53573 [1,0,0,0,0,0|2,0,1]=4 60 B13R2.1613 c1cc2ccncc2c(c1)C=O TS55707 [1,0,0,0,0,0|2,0,1]=4 61 B13R2.1613 c1cc2ccncc2c(c1)CN TS41921 [1,0,0,0,0,0|1,0,0]=2 62 B13R2.1613 c1cc2ccncc2c(c1)CN TS53133 [1,0,0,0,0,0|1,0,0]=2 63 B13R2.1613 c1cc2cnccc2c(c1)C#N TS03284 [1,0,0,0,0,0|1,0,2]=4 64 B13R2.1613 c1cc2cnccc2c(c1)C=O TS56195 [1,0,0,0,0,0|2,0,1]=4 65 B13R2.1613 c1cc2cnccc2c(c1)CN TS41924 [1,0,0,0,0,0|1,0,0]=2 66 B13R2.1613 c1cc2cnccc2c(c1)CO TS11131 [1,0,0,0,0,0|2,0,0]=3 67 B13R2.1613 c1ccc2c(c1)CCC=C2CCl TS47648 [1,0,0,0,0,0|1,0,2]=4 68 B13R2.1613 c1ccc2c(c1)c(ccn2)C#N TS10436 [1,0,0,0,0,0|1,0,2]=4 69 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O TS03189 [1,0,0,0,0,0|2,0,1]=4 70 B13R2.1613 c1ccc2c(c1)c(ccn2)CN TS03002 [1,0,0,0,0,0|1,0,0]=2 71 B13R2.1613 c1ccc2c(c1)c(ccn2)CN TS17972 [1,0,0,0,0,0|1,0,0]=2 72 B13R2.1613 c1ccc2c(c1)c(ccn2)NN TS53576 [1,0,0,0,0,0|2,0,0]=3 73 B13R2.1613 c1ccc2c(c1)cccc2C#N TS46938 [1,0,0,0,0,0|0,0,2]=3 74 B13R2.1613 c1ccc2c(c1)cccc2C=O TS39908 [1,0,0,0,0,0|1,0,1]=3 75 B13R2.1613 c1ccc2c(c1)cccc2CBr TS00420 [1,0,0,0,0,0|1,0,0]=2 76 B13R2.1613 c1ccc2c(c1)cccc2CCl TS46198 [1,0,0,0,0,0|1,0,0]=2 77 B13R2.1613 c1ccc2c(c1)cccc2CN TS41804 [1,0,0,0,0,0|0,0,0]=1 78 B13R2.1613 c1ccc2c(c1)cccc2CO TS10993 [1,0,0,0,0,0|1,0,0]=2 79 B13R2.1613 c1ccc2c(c1)cccc2NN TS17974 [1,0,0,0,0,0|1,0,0]=2 80 B13R2.1613 c1ccc2c(c1)cccc2[Mg]Br TS25106 [1,0,0,0,0,0|2,0,0]=3 81 B13R2.1613 c1ccc2c(c1)ccnc2C#N TS10437 [1,0,0,0,0,0|1,0,2]=4 82 B13R2.1613 c1ccc2c(c1)ccnc2C=O TS46977 [1,0,0,0,0,0|2,0,1]=4 83 B13R2.1613 c1ccc2c(c1)ccnc2CBr TS74829 [1,0,0,0,0,0|2,0,0]=3 84 B13R2.1613 c1ccc2c(c1)ccnc2CN TS53134 [1,0,0,0,0,0|1,0,0]=2 85 B13R2.1613 c1ccc2c(c1)ccnc2CO TS42044 [1,0,0,0,0,0|2,0,0]=3 86 B13R2.1613 c1ccc2c(c1)cncc2C#N TS56193 [1,0,0,0,0,0|1,0,2]=4 87 B13R2.1613 c1ccc2c(c1)cncc2C=O TS41766 [1,0,0,0,0,0|2,0,1]=4 88 B13R2.1613 c1ccc2c(c1)cncc2CN TS41922 [1,0,0,0,0,0|1,0,0]=2 89 B15R2.1162 B(c1c2ccccc2ccc1O)(O)O TS15889 [0,1,0,0,0,0|2,0,0]=3 90 B15R2.1162 CC(=O)c1c2ccccc2ccc1O TS48872 [0,1,0,0,0,0|1,0,1]=3 91 B15R2.1162 Cc1ccc2ccccc2c1C(=O)O TS48881 [0,1,0,0,0,0|2,0,1]=4 92 B15R2.1162 Cc1ccc2ccccc2c1[N+](=O)[O-] TS49057 [0,1,0,0,0,0|3,0,0]=4 93 B15R2.1162 c1ccc2c(c1)c(c(cn2)O)C(=O)O TS50885 [0,1,0,0,0,0|2,0,1]=4 94 B15R2.1162 c1ccc2c(c1)ccc(c2C(=O)O)O TS50681 [0,1,0,0,0,0|1,0,1]=3 95 B15R2.1162 c1ccc2c(c1)ccc(c2[N+](=O)[O-])O TS50873 [0,1,0,0,0,0|2,0,0]=3 96 B15R2.2115 COc1ccc2ccccc2c1C#N TS48437 [0,1,0,0,0,0|0,0,2]=3 97 B15R2.2115 COc1ccc2ccccc2c1C=O TS48879 [0,1,0,0,0,0|1,0,1]=3 98 B15R2.2115 c1ccc2c(c1)ccc(c2C#N)C#N TS47535 [0,1,0,0,0,0|1,0,2]=4 99 B13R1.42 CCOC(=O)C=Cc1ccccc1 TS13866 [0,0,1,0,0,0|2,0,1]=4 100 B13R1.575 COc1cc(ccc1O)C=CC=O TS14171 [0,0,1,0,0,0|3,0,0]=4 101 B15R3.1739 c1ccc2c(c1)ccc3c2[nH]cn3 TS12549 [0,0,0,1,0,0|3,0,0]=4 102 B13R2.135 CCn1c(cc2c1cccc2)C TS42085 [0,0,0,0,1,0|3,0,0]=4 103 B13R2.135 Cc1c(c2ccccc2s1)CCl TS53780 [0,0,0,0,1,0|3,0,0]=4 104 B13R2.135 c1ccc2c(c1)C(C(=O)N2)CN TS11557 [0,0,0,0,1,0|1,0,2]=4 105 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [1,0,1,0,0,0|1,0,1]=4 106 B12R1.121 COc1ccccc1C=CC=O TS42444 [1,0,1,0,0,0|1,0,1]=4 107 B12R1.121 COc1ccccc1C=CCO TS42754 [1,0,1,0,0,0|1,0,1]=4 108 B12R2.24 Cc1cc2ccccc2cn1 TS02850 [2,0,0,0,0,0|2,0,0]=4 109 B12R2.24 Cc1cc2ccccc2nc1 TS06876 [2,0,0,0,0,0|2,0,0]=4 110 B12R2.24 Cc1ccc2c(c1)cccn2 TS01274 [2,0,0,0,0,0|2,0,0]=4 111 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [2,0,0,0,0,0|1,0,0]=3 112 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [2,0,0,0,0,0|2,0,0]=4 113 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [2,0,0,0,0,0|2,0,0]=4 114 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [2,0,0,0,0,0|2,0,0]=4 115 B12R2.24 Cc1ccc2cccnc2c1 TS55694 [2,0,0,0,0,0|2,0,0]=4 116 B12R2.24 Cc1ccc2cnccc2c1 TS39791 [2,0,0,0,0,0|2,0,0]=4 117 B12R2.24 c1cc(cc2c1ccnc2)Br TS55661 [2,0,0,0,0,0|2,0,0]=4 118 B12R2.24 c1cc(cc2c1ccnc2)N TS01297 [2,0,0,0,0,0|2,0,0]=4 119 B12R2.24 c1cc(cc2c1ccnc2)O TS55679 [2,0,0,0,0,0|1,0,0]=3 120 B12R2.24 c1cc2cc(ccc2nc1)Br TS16482 [2,0,0,0,0,0|2,0,0]=4 121 B12R2.24 c1cc2cc(ccc2nc1)Cl TS55590 [2,0,0,0,0,0|2,0,0]=4 122 B12R2.24 c1cc2cc(ccc2nc1)I TS01245 [2,0,0,0,0,0|2,0,0]=4 123 B12R2.24 c1cc2cc(ccc2nc1)N TS01214 [2,0,0,0,0,0|2,0,0]=4 124 B12R2.24 c1cc2cc(ccc2nc1)N TS48009 [2,0,0,0,0,0|2,0,0]=4 125 B12R2.24 c1cc2ccc(cc2nc1)Br TS55665 [2,0,0,0,0,0|2,0,0]=4 126 B12R2.24 c1cc2ccc(cc2nc1)Cl TS39796 [2,0,0,0,0,0|2,0,0]=4 127 B12R2.24 c1cc2ccc(cc2nc1)N TS01298 [2,0,0,0,0,0|2,0,0]=4 128 B12R2.24 c1cc2ccc(cc2nc1)O TS55681 [2,0,0,0,0,0|1,0,0]=3 129 B12R2.24 c1cc2cnccc2cc1Br TS16471 [2,0,0,0,0,0|2,0,0]=4 130 B12R2.24 c1cc2cnccc2cc1N TS01206 [2,0,0,0,0,0|2,0,0]=4 131 B12R2.24 c1cc2cnccc2cc1O TS55609 [2,0,0,0,0,0|1,0,0]=3 132 B12R2.24 c1ccc2c(c1)cc(cn2)Br TS09500 [2,0,0,0,0,0|2,0,0]=4 133 B12R2.24 c1ccc2c(c1)cc(cn2)N TS02673 [2,0,0,0,0,0|2,0,0]=4 134 B12R2.24 c1ccc2c(c1)cc(cn2)O TS02804 [2,0,0,0,0,0|1,0,0]=3 135 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [2,0,0,0,0,0|1,0,1]=4 136 B12R2.24 c1ccc2c(c1)ccc(n2)Br TS00867 [2,0,0,0,0,0|2,0,0]=4 137 B12R2.24 c1ccc2c(c1)ccc(n2)Cl TS00965 [2,0,0,0,0,0|2,0,0]=4 138 B12R2.24 c1ccc2c(c1)ccc(n2)I TS28720 [2,0,0,0,0,0|2,0,0]=4 139 B12R2.24 c1ccc2c(c1)ccc(n2)N TS55047 [2,0,0,0,0,0|2,0,0]=4 140 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [2,0,0,0,0,0|1,0,0]=3 141 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [2,0,0,0,0,0|1,0,0]=3 142 B12R2.24 c1ccc2c(c1)ccc(n2)S TS11438 [2,0,0,0,0,0|1,1,0]=4 143 B12R2.24 c1ccc2c(c1)ncc(n2)O TS07193 [2,0,0,0,0,0|2,0,0]=4 144 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [2,0,0,0,0,0|1,0,0]=3 145 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [2,0,0,0,0,0|1,0,0]=3 146 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [2,0,0,0,0,0|1,0,0]=3 147 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [2,0,0,0,0,0|1,0,0]=3 148 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [2,0,0,0,0,0|1,0,0]=3 149 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [2,0,0,0,0,0|0,0,0]=2 150 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [2,0,0,0,0,0|0,1,0]=3 151 B12R2.24 c1ccc2cn(=O)ccc2c1 TS56198 [2,0,0,0,0,0|1,0,1]=4 152 B12R2.24 c1ccc2cnc(cc2c1)Br TS65951 [2,0,0,0,0,0|2,0,0]=4 153 B12R2.24 c1ccc2cnc(cc2c1)Cl TS02718 [2,0,0,0,0,0|2,0,0]=4 154 B12R2.24 c1ccc2cnc(cc2c1)Cl TS40291 [2,0,0,0,0,0|2,0,0]=4 155 B12R2.24 c1ccc2cnc(cc2c1)N TS40187 [2,0,0,0,0,0|2,0,0]=4 156 B12R2.24 c1ccc2cnc(cc2c1)O TS70624 [2,0,0,0,0,0|1,0,0]=3 157 B12R2.1081 C[n+]1cccc2c1cccc2 TS28781 [2,0,0,0,0,0|1,0,0]=3 158 B12R2.1081 Cc1c2ccccc2ccn1 TS00053 [2,0,0,0,0,0|1,0,0]=3 159 B12R2.1081 Cc1cccc2c1cccc2 TS00494 [2,0,0,0,0,0|0,0,0]=2 160 B12R2.1081 Cc1cccc2c1cncc2 TS06873 [2,0,0,0,0,0|1,0,0]=3 161 B12R2.1081 Cc1cccc2c1nccc2 TS55712 [2,0,0,0,0,0|1,0,0]=3 162 B12R2.1081 Cc1cccc2c1nccn2 TS40181 [2,0,0,0,0,0|2,0,0]=4 163 B12R2.1081 Cc1cccc2c1nncc2 TS40182 [2,0,0,0,0,0|2,0,0]=4 164 B12R2.1081 Cc1ccnc2c1cccc2 TS01522 [2,0,0,0,0,0|1,0,0]=3 165 B12R2.1081 Cc1ccnc2c1cccc2 TS64278 [2,0,0,0,0,0|1,0,0]=3 166 B12R2.1081 Cc1ccnc2c1cccn2 TS40193 [2,0,0,0,0,0|2,0,0]=4 167 B12R2.1081 Cc1cncc2c1cccc2 TS06874 [2,0,0,0,0,0|1,0,0]=3 168 B12R2.1081 c1cc(c2cccnc2c1)N TS71389 [2,0,0,0,0,0|1,0,0]=3 169 B12R2.1081 c1cc2c(cccn2)c(c1)Br TS09819 [2,0,0,0,0,0|2,0,0]=4 170 B12R2.1081 c1cc2c(cccn2)c(c1)Cl TS39771 [2,0,0,0,0,0|2,0,0]=4 171 B12R2.1081 c1cc2c(cccn2)c(c1)F TS07312 [2,0,0,0,0,0|2,0,0]=4 172 B12R2.1081 c1cc2c(cccn2)c(c1)O TS07092 [2,0,0,0,0,0|2,0,0]=4 173 B12R2.1081 c1cc2cccnc2c(c1)Br TS01320 [2,0,0,0,0,0|2,0,0]=4 174 B12R2.1081 c1cc2cccnc2c(c1)Cl TS55700 [2,0,0,0,0,0|2,0,0]=4 175 B12R2.1081 c1cc2cccnc2c(c1)F TS33204 [2,0,0,0,0,0|2,0,0]=4 176 B12R2.1081 c1cc2cccnc2c(c1)I TS28721 [2,0,0,0,0,0|2,0,0]=4 177 B12R2.1081 c1cc2cccnc2c(c1)N TS01310 [2,0,0,0,0,0|1,0,0]=3 178 B12R2.1081 c1cc2cccnc2c(c1)O TS27898 [2,0,0,0,0,0|2,0,0]=4 179 B12R2.1081 c1cc2cccnc2c(c1)O TS59629 [2,0,0,0,0,0|2,0,0]=4 180 B12R2.1081 c1cc2cccnc2c(c1)O TS81282 [2,0,0,0,0,0|2,0,0]=4 181 B12R2.1081 c1cc2cccnc2c(c1)O TS82566 [2,0,0,0,0,0|2,0,0]=4 182 B12R2.1081 c1cc2cccnc2c(c1)S TS53924 [2,0,0,0,0,0|2,0,0]=4 183 B12R2.1081 c1cc2cccnc2c(c1)[O-] TS43188 [2,0,0,0,0,0|2,0,0]=4 184 B12R2.1081 c1cc2ccnc(c2nc1)N TS32758 [2,0,0,0,0,0|2,0,0]=4 185 B12R2.1081 c1cc2ccncc2c(c1)Br TS01318 [2,0,0,0,0,0|2,0,0]=4 186 B12R2.1081 c1cc2ccncc2c(c1)Cl TS39366 [2,0,0,0,0,0|2,0,0]=4 187 B12R2.1081 c1cc2ccncc2c(c1)F TS07311 [2,0,0,0,0,0|2,0,0]=4 188 B12R2.1081 c1cc2ccncc2c(c1)N TS01308 [2,0,0,0,0,0|1,0,0]=3 189 B12R2.1081 c1cc2ccncc2c(c1)O TS07090 [2,0,0,0,0,0|2,0,0]=4 190 B12R2.1081 c1cc2cnccc2c(c1)Br TS09807 [2,0,0,0,0,0|2,0,0]=4 191 B12R2.1081 c1cc2cnccc2c(c1)Cl TS71517 [2,0,0,0,0,0|2,0,0]=4 192 B12R2.1081 c1cc2cnccc2c(c1)N TS71376 [2,0,0,0,0,0|1,0,0]=3 193 B12R2.1081 c1cc2cnccc2c(c1)O TS07091 [2,0,0,0,0,0|2,0,0]=4 194 B12R2.1081 c1ccc2c(c1)c(=O)cco2 TS07175 [2,0,0,0,0,0|2,0,0]=4 195 B12R2.1081 c1ccc2c(c1)c(ccn2)Br TS09615 [2,0,0,0,0,0|2,0,0]=4 196 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl TS71079 [2,0,0,0,0,0|2,0,0]=4 197 B12R2.1081 c1ccc2c(c1)c(ccn2)I TS39753 [2,0,0,0,0,0|2,0,0]=4 198 B12R2.1081 c1ccc2c(c1)c(ccn2)N TS70924 [2,0,0,0,0,0|1,0,0]=3 199 B12R2.1081 c1ccc2c(c1)c(ccn2)O TS93944 [2,0,0,0,0,0|2,0,0]=4 200 B12R2.1081 c1ccc2c(c1)c(ccn2)S TS71197 [2,0,0,0,0,0|2,0,0]=4 201 B12R2.1081 c1ccc2c(c1)c(ncn2)N TS40307 [2,0,0,0,0,0|2,0,0]=4 202 B12R2.1081 c1ccc2c(c1)cccc2Br TS20310 [2,0,0,0,0,0|1,0,0]=3 203 B12R2.1081 c1ccc2c(c1)cccc2Cl TS11631 [2,0,0,0,0,0|1,0,0]=3 204 B12R2.1081 c1ccc2c(c1)cccc2F TS60210 [2,0,0,0,0,0|1,0,0]=3 205 B12R2.1081 c1ccc2c(c1)cccc2I TS63322 [2,0,0,0,0,0|1,0,0]=3 206 B12R2.1081 c1ccc2c(c1)cccc2N TS39905 [2,0,0,0,0,0|0,0,0]=2 207 B12R2.1081 c1ccc2c(c1)cccc2N TS47802 [2,0,0,0,0,0|0,0,0]=2 208 B12R2.1081 c1ccc2c(c1)cccc2O TS47010 [2,0,0,0,0,0|1,0,0]=3 209 B12R2.1081 c1ccc2c(c1)cccc2S TS11301 [2,0,0,0,0,0|1,0,0]=3 210 B12R2.1081 c1ccc2c(c1)ccnc2Br TS00419 [2,0,0,0,0,0|2,0,0]=4 211 B12R2.1081 c1ccc2c(c1)ccnc2Cl TS46936 [2,0,0,0,0,0|2,0,0]=4 212 B12R2.1081 c1ccc2c(c1)cncc2Br TS09609 [2,0,0,0,0,0|2,0,0]=4 213 B12R2.1081 c1ccc2c(c1)cncc2F TS07309 [2,0,0,0,0,0|2,0,0]=4 214 B12R2.1081 c1ccc2c(c1)cncc2N TS02995 [2,0,0,0,0,0|1,0,0]=3 215 B12R2.1081 c1ccc2c(c1)cncc2O TS03125 [2,0,0,0,0,0|2,0,0]=4 216 B12R2.1081 c1cnc2ccncc2c1N TS40304 [2,0,0,0,0,0|2,0,0]=4 217 B14R1.482 CCOc1ccccc1C=CC(=O)O TS51465 [0,1,1,0,0,0|2,0,0]=4 218 B14R2.92 COc1ccc2ccccc2c1Br TS56903 [1,1,0,0,0,0|1,0,0]=3 219 B14R2.92 COc1ccc2ccccc2c1I TS34700 [1,1,0,0,0,0|1,0,0]=3 220 B14R2.92 c1ccc2c(c1)ccc(c2Br)C=O TS56610 [1,1,0,0,0,0|1,0,1]=4 221 B14R2.92 c1ccc2c(c1)ccc(c2Br)CBr TS74570 [1,1,0,0,0,0|2,0,0]=4 222 B14R2.92 c1ccc2c(c1)ccc(c2Cl)C=O TS17196 [1,1,0,0,0,0|1,0,1]=4 223 B14R2.92 c1ccc2c(c1)ccc(c2O)C=O TS13140 [1,1,0,0,0,0|1,0,1]=4 224 B14R2.92 c1ccc2c(c1)ccc(c2O)N=O TS13311 [1,1,0,0,0,0|1,0,1]=4 225 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O TS14149 [1,1,0,0,0,0|2,0,0]=4 226 B14R2.4513 c1cc(cc2c1ccc(c2F)F)O TS01290 [1,1,0,0,0,0|2,0,0]=4 227 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O TS45447 [1,1,0,0,0,0|2,0,0]=4 228 B14R2.7724 Cc1cc(c2ccccc2c1C)C TS12869 [1,1,0,0,0,0|1,0,0]=3 229 B14R2.7724 Cc1cc(c2ccccc2c1O)N TS20821 [1,1,0,0,0,0|2,0,0]=4 230 B14R2.7724 Cc1cc(c2ccccc2c1O)O TS13489 [1,1,0,0,0,0|2,0,0]=4 231 B14R2.7724 Cn1c2ccccc2c(cc1=O)Cl TS51718 [1,1,0,0,0,0|1,0,1]=4 232 B14R2.7724 Cn1c2ccccc2c(cc1=O)O TS13667 [1,1,0,0,0,0|1,0,1]=4 233 B14R2.7724 c1ccc2c(c1)C(=CC(=O)C2=O)Cl TS17578 [1,1,0,0,0,0|1,0,1]=4 234 B14R2.7724 c1ccc2c(c1)C(=CC(=O)C2=O)N TS13315 [1,1,0,0,0,0|1,0,1]=4 235 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)Cl TS17579 [1,1,0,0,0,0|2,0,0]=4 236 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)O TS45731 [1,1,0,0,0,0|1,0,0]=3 237 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Br)Br TS74738 [1,1,0,0,0,0|2,0,0]=4 238 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Cl)Cl TS21436 [1,1,0,0,0,0|2,0,0]=4 239 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Cl)O TS17965 [1,1,0,0,0,0|2,0,0]=4 240 B14R2.8038 Cc1c(ccc2c1nccc2O)Cl TS51705 [1,1,0,0,0,0|2,0,0]=4 241 B14R2.8038 Cc1ccc2c(ccnc2c1C)Cl TS51380 [1,1,0,0,0,0|2,0,0]=4 242 B14R2.8038 Cc1ccc2c(ccnc2c1C)O TS13349 [1,1,0,0,0,0|2,0,0]=4 243 B14R2.8038 Cc1cccc2c1ccc(c2C)C TS45180 [1,1,0,0,0,0|1,0,0]=3 244 B14R2.8188 Cc1c(c(c2ccccc2n1)N)Br TS56911 [1,1,0,0,0,0|2,0,0]=4 245 B14R2.8188 Cc1cc2ccccc2c(c1C)C TS12868 [1,1,0,0,0,0|1,0,0]=3 246 B14R2.28523 c1cc2ccc(c(c2c(c1)N)N)Cl TS51570 [1,1,0,0,0,0|1,0,0]=3 247 B14R2.29369 Cc1ccc2c(c(ccc2c1)C)C TS12878 [1,1,0,0,0,0|1,0,0]=3 248 B14R2.29369 c1cc(c(c2c1cc(cc2)Br)Br)O TS74739 [1,1,0,0,0,0|1,0,0]=3 249 B14R2.29369 c1cc(c(c2c1cc(cc2)Br)Cl)O TS29106 [1,1,0,0,0,0|1,0,0]=3 250 B14R2.29369 c1cc(c(c2c1cc(cc2)O)F)F TS47839 [1,1,0,0,0,0|2,0,0]=4 251 B14R2.1073 Cc1ccc2c(ccnc2c1)NN TS13365 [1,1,0,0,0,0|2,0,0]=4 252 B14R2.1073 c1cc2c(ccnc2cc1Cl)NN TS17739 [1,1,0,0,0,0|2,0,0]=4 253 B14R2.1078 Cc1cccc2c1nccc2NN TS13364 [1,1,0,0,0,0|2,0,0]=4 254 B14R2.1078 c1cc2c(ccnc2c(c1)Br)CN TS64762 [1,1,0,0,0,0|1,0,0]=3 255 B14R2.1078 c1cc2c(ccnc2c(c1)Br)CO TS26139 [1,1,0,0,0,0|2,0,0]=4 256 B14R2.1078 c1cc2c(ccnc2c(c1)F)NN TS14011 [1,1,0,0,0,0|2,0,0]=4 257 B14R2.1078 c1cc2c(ccnc2c(c1)F)NN TS44403 [1,1,0,0,0,0|2,0,0]=4 258 B14R2.1131 COc1ccc(c2c1cccc2)Br TS00414 [1,1,0,0,0,0|2,0,0]=4 259 B14R2.1131 COc1ccc(c2c1cccc2)I TS34699 [1,1,0,0,0,0|2,0,0]=4 260 B14R2.1131 COc1ccc(c2c1cccc2)O TS13490 [1,1,0,0,0,0|2,0,0]=4 261 B14R2.1131 CSc1ccc(c2c1cccc2)F TS17528 [1,1,0,0,0,0|2,0,0]=4 262 B14R2.1131 Cc1ccc(c2c1cccc2)C=O TS12811 [1,1,0,0,0,0|1,0,1]=4 263 B14R2.1131 Cc1ccc(c2c1cccc2)CO TS45495 [1,1,0,0,0,0|1,0,0]=3 264 B14R2.1131 c1cc2c(ccc(c2nc1)O)CCl TS52943 [1,1,0,0,0,0|2,0,0]=4 265 B14R2.1131 c1ccc2c(c1)c(ccc2Br)CO TS56905 [1,1,0,0,0,0|1,0,0]=3 266 B14R2.1131 c1ccc2c(c1)c(ccc2Cl)NN TS24680 [1,1,0,0,0,0|1,0,0]=3 267 B14R2.1131 c1ccc2c(c1)c(ccc2F)C#N TS45291 [1,1,0,0,0,0|0,0,2]=4 268 B14R2.1131 c1ccc2c(c1)c(ccc2N)C#N TS12547 [1,1,0,0,0,0|0,0,2]=4 269 B14R2.1131 c1ccc2c(c1)c(n[nH]c2=O)CN TS45953 [1,1,0,0,0,0|2,0,0]=4 270 B14R2.1146 COc1cc(cc2c1cccc2)N TS64490 [1,1,0,0,0,0|2,0,0]=4 271 B14R2.1146 COc1cc(cc2c1cccc2)N TS71204 [1,1,0,0,0,0|2,0,0]=4 272 B14R2.1146 COc1cc(cc2c1cccc2)N TS84369 [1,1,0,0,0,0|2,0,0]=4 273 B14R2.1146 Cc1cc(c2ccccc2n1)CO TS13356 [1,1,0,0,0,0|2,0,0]=4 274 B14R2.1146 Cc1cc(c2ccccc2n1)NN TS94078 [1,1,0,0,0,0|2,0,0]=4 275 B14R2.1146 c1ccc2c(c1)c(cc(=O)[nH]2)CBr TS09611 [1,1,0,0,0,0|2,0,0]=4 276 B14R2.7150 C=CCc1cccc2c1cccc2 TS12570 [1,1,0,0,0,0|1,0,0]=3 277 B14R2.7150 CCCc1cccc2c1cccc2 TS12875 [1,1,0,0,0,0|1,0,0]=3 278 B14R2.7150 CCNc1cccc2c1cccc2 TS13039 [1,1,0,0,0,0|1,0,0]=3 279 B14R2.7150 CCNc1cccc2c1cccc2 TS20458 [1,1,0,0,0,0|1,0,0]=3 280 B14R2.7150 CCNc1cccc2c1cccc2 TS28296 [1,1,0,0,0,0|1,0,0]=3 281 B14R2.7150 CCOc1cccc2c1cccc2 TS45486 [1,1,0,0,0,0|1,0,0]=3 282 B14R2.7150 CCOc1cccc2c1nccc2 TS45647 [1,1,0,0,0,0|2,0,0]=4 283 B14R2.7150 CCOc1ccnc2c1cccc2 TS45641 [1,1,0,0,0,0|2,0,0]=4 284 B14R2.7150 CNCc1cccc2c1cccc2 TS45347 [1,1,0,0,0,0|0,0,0]=2 285 B14R2.7150 CNCc1cccc2c1cccc2 TS56411 [1,1,0,0,0,0|0,0,0]=2 286 B14R2.7150 CNCc1cccc2c1nccc2 TS13194 [1,1,0,0,0,0|1,0,0]=3 287 B14R2.7150 c1cc(c2cccnc2c1)CCN TS13198 [1,1,0,0,0,0|1,0,0]=3 288 B14R2.7150 c1cc2cccnc2c(c1)CC#N TS12551 [1,1,0,0,0,0|1,0,1]=4 289 B14R2.7150 c1cc2cnccc2c(c1)CCN TS13191 [1,1,0,0,0,0|1,0,0]=3 290 B14R2.7150 c1ccc2c(c1)cccc2CC#N TS43256 [1,1,0,0,0,0|0,0,1]=3 291 B14R2.7150 c1ccc2c(c1)cccc2CCBr TS25702 [1,1,0,0,0,0|1,0,0]=3 292 B14R2.7150 c1ccc2c(c1)cccc2CCCl TS51213 [1,1,0,0,0,0|1,0,0]=3 293 B14R2.7150 c1ccc2c(c1)cccc2CCN TS45344 [1,1,0,0,0,0|0,0,0]=2 294 B14R2.7150 c1ccc2c(c1)cccc2CCO TS08152 [1,1,0,0,0,0|1,0,0]=3 295 B14R2.7150 c1ccc2c(c1)cccc2N=C=S TS48754 [1,1,0,0,0,0|1,0,1]=4 296 B14R2.7150 c1ccc2c(c1)cccc2NC=O TS45303 [1,1,0,0,0,0|1,0,1]=4 297 B14R2.7150 c1ccc2c(c1)cncc2CCO TS45633 [1,1,0,0,0,0|2,0,0]=4 298 B14R2.11635 c1cc2cccc(c2c(c1)CO)Br TS56902 [1,1,0,0,0,0|1,0,0]=3 299 B14R2.11635 c1cc2cccc(c2c(c1)CO)I TS34701 [1,1,0,0,0,0|1,0,0]=3 300 B14R2.11684 c1cc2c(cc1F)c(ccn2)NN TS14010 [1,1,0,0,0,0|2,0,0]=4 301 B14R2.11684 c1cc2ccc(cc2c(c1)C#N)O TS55680 [1,1,0,0,0,0|0,0,2]=4 302 B14R2.31359 B(c1cccc2c1cccc2)(O)O TS47008 [1,1,0,0,0,0|2,0,0]=4 303 B14R2.31359 CC(=O)c1cccc2c1cccc2 TS46832 [1,1,0,0,0,0|1,0,1]=4 304 B14R2.31359 CC(C)c1cccc2c1cccc2 TS12866 [1,1,0,0,0,0|1,0,0]=3 305 B14R2.31359 CC(c1cccc2c1cccc2)N TS45348 [1,1,0,0,0,0|0,0,0]=2 306 B14R2.31359 CC(c1cccc2c1cccc2)O TS45475 [1,1,0,0,0,0|1,0,0]=3 307 B14R2.31359 CN(C)c1cccc2c1cccc2 TS13041 [1,1,0,0,0,0|2,0,0]=4 308 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N TS08093 [1,1,0,0,0,0|0,0,0]=2 309 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N TS20457 [1,1,0,0,0,0|0,0,0]=2 310 B14R2.31359 C[C@@H](c1cccc2c1cccc2)O TS08094 [1,1,0,0,0,0|1,0,0]=3 311 B14R2.31359 C[C@H](c1cccc2c1cccc2)N TS13040 [1,1,0,0,0,0|0,0,0]=2 312 B14R2.31359 C[C@H](c1cccc2c1cccc2)N TS20459 [1,1,0,0,0,0|0,0,0]=2 313 B14R2.31359 C[C@H](c1cccc2c1cccc2)O TS45491 [1,1,0,0,0,0|1,0,0]=3 314 B14R2.31359 c1cc(c2cccnc2c1)C(=S)N TS16032 [1,1,0,0,0,0|1,0,1]=4 315 B14R2.31359 c1cc2cccnc2c(c1)C(=S)N TS16033 [1,1,0,0,0,0|1,0,1]=4 316 B14R2.31359 c1cc2cccnc2c(c1)C(Br)Br TS74660 [1,1,0,0,0,0|2,0,0]=4 317 B14R2.31359 c1cc2ccncc2c(c1)C(=S)N TS16034 [1,1,0,0,0,0|1,0,1]=4 318 B14R2.31359 c1cc2cnccc2c(c1)C(=S)N TS16037 [1,1,0,0,0,0|1,0,1]=4 319 B14R2.31359 c1ccc2c(c1)c(ccn2)C(=S)N TS50768 [1,1,0,0,0,0|1,0,1]=4 320 B14R2.31359 c1ccc2c(c1)cccc2C(=N)N TS20293 [1,1,0,0,0,0|0,0,1]=3 321 B14R2.31359 c1ccc2c(c1)cccc2C(=N)N TS45142 [1,1,0,0,0,0|0,0,1]=3 322 B14R2.31359 c1ccc2c(c1)cccc2C(=O)Cl TS77185 [1,1,0,0,0,0|1,0,1]=4 323 B14R2.31359 c1ccc2c(c1)cccc2C(=O)N TS13005 [1,1,0,0,0,0|0,0,1]=3 324 B14R2.31359 c1ccc2c(c1)cccc2C(=O)O TS47009 [1,1,0,0,0,0|1,0,1]=4 325 B14R2.31359 c1ccc2c(c1)cccc2[N+](=O)[O-] TS00058 [1,1,0,0,0,0|2,0,0]=4 326 B14R2.31359 c1ccc2c(c1)ccnc2C(=S)N TS16038 [1,1,0,0,0,0|1,0,1]=4 327 B14R2.517 Cc1c(c2ccccc2[nH]1)CCN TS13553 [0,1,0,0,1,0|2,0,0]=4 328 B16R2.2073 COc1ccc2ccccc2c1C(=N)N TS37929 [0,2,0,0,0,0|0,0,1]=3 329 B16R2.2073 COc1ccc2ccccc2c1C(=O)O TS19367 [0,2,0,0,0,0|1,0,1]=4 330 B16R2.34040 COC(=O)c1c2ccccc2ccc1O TS19360 [0,2,0,0,0,0|1,0,1]=4 331 B16R2.6148 COc1c2ccccc2ccc1C(=O)O TS38241 [0,2,0,0,0,0|2,0,0]=4 332 B16R2.7485 COc1ccc2cc(ccc2c1CCl)Br TS34878 [0,2,0,0,0,0|1,0,0]=3 333 B16R2.28256 CCOc1ccc2ccccc2c1C=O TS19016 [0,2,0,0,0,0|1,0,1]=4 334 B16R2.333 CN(C)Cc1c2ccccc2ccc1O TS38126 [0,2,0,0,0,0|0,0,0]=2 335 B16R2.333 c1ccc2c(c1)ccc(c2CC(=O)O)O TS19358 [0,2,0,0,0,0|1,0,0]=3 336 B14R2.21 c1ccc(cc1)c2cc(ccn2)O TS13001 [0,0,1,1,0,0|0,0,2]=4 337 B14R2.21 c1ccc(cc1)c2cc(cnc2)O TS45305 [0,0,1,1,0,0|2,0,0]=4 338 B14R2.21 c1ccc(cc1)c2cccc(c2)O TS12817 [0,0,1,1,0,0|1,0,1]=4 339 B14R2.112 c1ccc2cc(ccc2c1)CCN TS13037 [0,0,1,1,0,0|1,0,1]=4 340 B14R2.24 c1ccc(cc1)c2c(cccn2)O TS45310 [0,0,1,1,0,0|2,0,0]=4 341 B14R3.164 c1cc2cccc3c2c(c1)C=C3 TS85292 [1,0,0,1,0,0|1,0,1]=4 342 B14R3.164 c1cc2cccc3c2c(c1)CC3 TS10455 [1,0,0,1,0,0|1,0,0]=3 343 B14R3.164 c1cc2cccc3c2c(c1)SS3 TS51178 [1,0,0,1,0,0|2,0,0]=4 344 B16R3.335 Cc1nc2c3ccccc3ccc2o1 TS48443 [0,1,0,1,0,0|1,0,1]=4 345 B16R3.335 c1ccc2c(c1)ccc3c2CC(=O)O3 TS48544 [0,1,0,1,0,0|1,0,0]=3 346 B16R3.335 c1ccc2c(c1)ccc3c2nc(o3)S TS19225 [0,1,0,1,0,0|1,0,1]=4 347 B16R3.335 c1ccc2c(c1)ccc3c2nc(s3)N TS37944 [0,1,0,1,0,0|0,1,1]=4 348 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [1,0,0,0,1,0|2,0,0]=4 349 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [1,0,0,0,1,0|2,0,0]=4 350 B12R2.18 Cc1c(sc2c1cccc2)C TS11616 [1,0,0,0,1,0|2,0,0]=4 351 B12R2.18 Cc1cc2ccccc2n1C TS00349 [1,0,0,0,1,0|2,0,0]=4 352 B12R2.18 Cn1c2ccccc2cc1O TS07340 [1,0,0,0,1,0|1,0,0]=3 353 B12R2.82 Cc1c2cc[nH]c2ccc1N TS40434 [1,0,0,0,1,0|2,0,0]=4 354 B12R2.82 c1cc(c(c2c1[nH]cc2)F)O TS40984 [1,0,0,0,1,0|2,0,0]=4 355 B12R2.82 c1cc(c(c2c1cco2)O)O TS07647 [1,0,0,0,1,0|2,0,0]=4 356 B12R2.1 CCc1c[nH]c2c1cccc2 TS40329 [1,0,0,0,1,0|2,0,0]=4 357 B12R2.1 CCn1ccc2c1cccc2 TS00434 [1,0,0,0,1,0|2,0,0]=4 358 B12R2.1 c1cc2c(c[nH]c2nc1)CN TS40541 [1,0,0,0,1,0|2,0,0]=4 359 B12R2.1 c1cc2c(c[nH]c2nc1)CN TS92294 [1,0,0,0,1,0|2,0,0]=4 360 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN TS46493 [1,0,0,0,1,0|1,0,0]=3 361 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS09190 [1,0,0,0,1,0|2,0,0]=4 362 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS42902 [1,0,0,0,1,0|2,0,0]=4 363 B12R2.1 c1ccc2c(c1)c(cs2)CN TS11736 [1,0,0,0,1,0|1,0,0]=3 364 B12R2.1 c1ccc2c(c1)c(cs2)CN TS37824 [1,0,0,0,1,0|1,0,0]=3 365 B12R2.1 c1ccc2c(c1)c(cs2)CO TS11910 [1,0,0,0,1,0|2,0,0]=4 366 B12R2.1 c1ccc2c(c1)c(n[nH]2)CN TS15193 [1,0,0,0,1,0|2,0,0]=4 367 B12R2.1 c1ccc2c(c1)c(n[nH]2)CN TS88235 [1,0,0,0,1,0|2,0,0]=4 368 B12R2.1 c1ccn2c(c1)c(cn2)CN TS07354 [1,0,0,0,1,0|2,0,0]=4 369 B12R2.1 c1ccn2c(c1)ncc2CN TS00297 [1,0,0,0,1,0|2,0,0]=4 370 B12R2.1 c1ccn2c(c1)ncc2CN TS40542 [1,0,0,0,1,0|2,0,0]=4 371 B12R2.1 c1ccn2cnc(c2c1)CN TS07353 [1,0,0,0,1,0|2,0,0]=4 372 B12R2.1 c1cncc2c1[nH]cc2CN TS40546 [1,0,0,0,1,0|2,0,0]=4 373 B12R2.1 c1cncc2c1c(c[nH]2)CN TS40555 [1,0,0,0,1,0|2,0,0]=4 374 B12R2.315 CCc1cccc2c1[nH]cc2 TS07121 [1,0,0,0,1,0|2,0,0]=4 375 B12R2.315 c1c[nH]c2c1c(ccn2)CN TS88075 [1,0,0,0,1,0|2,0,0]=4 376 B12R2.315 c1cc(c2c(c1)nc[nH]2)CN TS07351 [1,0,0,0,1,0|2,0,0]=4 377 B12R2.315 c1cc(c2cc[nH]c2c1)CN TS40447 [1,0,0,0,1,0|1,0,0]=3 378 B12R2.315 c1cc(c2cc[nH]c2c1)CO TS40521 [1,0,0,0,1,0|2,0,0]=4 379 B12R2.315 c1cc(c2cn[nH]c2c1)CN TS90429 [1,0,0,0,1,0|2,0,0]=4 380 B12R2.315 c1cc2cc[nH]c2c(c1)CO TS07328 [1,0,0,0,1,0|2,0,0]=4