0 B6R1.2 BrC1=CCCC1 1P000ISQ [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 BrC1=COCC1 1P01BCHP [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 Br[C-]1C=CC=C1 1P000XDE [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 Br[C-]1C=CC=C1 1P000ZJA [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 Brc1c[nH]nc1 1P002JKA [0,0,0,0,0,0|1,0,0]=1 5 B6R1.2 Brc1c[nH]nn1 1P00AMIC [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 Brc1cc[nH]n1 1P001L55 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 Brc1cccs1 1P0001YI [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 Brc1ccn[nH]1 1P008UPN [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 Brc1ccno1 1P0008UV [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 Brc1ccns1 1P003847 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 Brc1ccon1 1P008TPD [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 Brc1ccsn1 1P0037J9 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 Brc1cn[nH]n1 1P01K0JE [0,0,0,0,0,0|2,0,0]=2 14 B6R1.2 Brc1cnc[nH]1 1P002MDC [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 Brc1cnco1 1P0094A7 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 Brc1cnco1 1P01B653 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 Brc1cncs1 1P00309V [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 Brc1cnn[nH]1 1P003ATS [0,0,0,0,0,0|2,0,1]=3 19 B6R1.2 Brc1cnns1 1P028OEX [0,0,0,0,0,0|2,0,1]=3 20 B6R1.2 Brc1cocc1 1P00343I [0,0,0,0,0,0|3,0,0]=3 21 B6R1.2 Brc1cocn1 1P009WUS [0,0,0,0,0,0|4,0,0]=4 22 B6R1.2 Brc1cocn1 1P01B6N4 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 Brc1conc1 1P00375F [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 Brc1cscc1 1P00343T [0,0,0,0,0,0|3,0,0]=3 25 B6R1.2 Brc1cscn1 1P0034FH [0,0,0,0,0,0|4,0,0]=4 26 B6R1.2 Brc1csnc1 1P0038M0 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 Brc1n[nH]cn1 1P00370I [0,0,0,0,0,0|4,0,0]=4 28 B6R1.2 Brc1ncn[nH]1 1P00AXLQ [0,0,0,0,0,0|4,0,0]=4 29 B6R1.2 Brc1ncns1 1P00DIBD [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 Brc1nnc[nH]1 1P01EARC [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 Brc1nnco1 1P019EDG [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 Brc1nncs1 1P0033LG [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 Brc1nnn[nH]1 1P0037X5 [0,0,0,0,0,0|3,0,1]=4 34 B6R1.2 C1C=NNC1=O 1P00134X [0,0,0,0,0,0|3,0,1]=4 35 B6R1.2 C1C=NOC1=O 1P0082VF [0,0,0,0,0,0|3,0,1]=4 36 B6R1.2 C1CNNC1=O 1P0020VF [0,0,0,0,0,0|3,0,1]=4 37 B6R1.2 C1N=CSC1=S 1P009QOQ [0,0,0,0,0,0|3,0,1]=4 38 B6R1.2 C1NC(=O)C=C1 1P0037XN [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 C1NCNC1=O 1P0013LS [0,0,0,0,0,0|3,0,1]=4 40 B6R1.2 C1OC(=O)C=C1 1P0037VR [0,0,0,0,0,0|4,0,0]=4 41 B6R1.2 C1OC=CC1=O 1P01HH13 [0,0,0,0,0,0|3,0,1]=4 42 B6R1.2 C1SC(=O)C=C1 1P00CB5Q [0,0,0,0,0,0|4,0,0]=4 43 B6R1.2 C=C1CNCC1 1P00HYRP [0,0,0,0,0,0|1,0,3]=4 44 B6R1.2 C=C1CONC1 1P01FIH5 [0,0,0,0,0,0|1,0,3]=4 45 B6R1.2 CC1=CCCO1 1P001LLN [0,0,0,0,0,0|3,0,0]=3 46 B6R1.2 CC1=CCNC1 1P028YTC [0,0,0,0,0,0|1,0,1]=2 47 B6R1.2 CC1=NCCC1 1P0036ML [0,0,0,0,0,0|3,0,1]=4 48 B6R1.2 CC1=NCCN1 1P003I2K [0,0,0,0,0,0|4,0,0]=4 49 B6R1.2 CC1=NCCO1 1P003BPP [0,0,0,0,0,0|4,0,0]=4 50 B6R1.2 CC1=NCCS1 1P002NSB [0,0,0,0,0,0|4,0,0]=4 51 B6R1.2 CC1CC=NN1 1P001PGZ [0,0,0,0,0,0|2,0,2]=4 52 B6R1.2 CC1CNC=N1 1P007FYO [0,0,0,0,0,0|2,0,2]=4 53 B6R1.2 CC1CNCC1 1P008SOQ [0,0,0,0,0,0|1,0,3]=4 54 B6R1.2 CC1CNCS1 1P01DWT5 [0,0,0,0,0,0|2,0,2]=4 55 B6R1.2 CC1CNNC1 1P0285ON [0,0,0,0,0,0|0,0,4]=4 56 B6R1.2 CC1CONC1 1P00J2V7 [0,0,0,0,0,0|1,0,3]=4 57 B6R1.2 CN1CNCC1 1P01NMBZ [0,0,0,0,0,0|2,0,2]=4 58 B6R1.2 C[C-]1C=CC=C1 1P000ZBQ [0,0,0,0,0,0|2,0,1]=3 59 B6R1.2 C[C@@H]1CNCC1 1P0039DE [0,0,0,0,0,0|1,0,3]=4 60 B6R1.2 C[C@@H]1CNCO1 1P028LUQ [0,0,0,0,0,0|2,0,2]=4 61 B6R1.2 C[C@@H]1CNCS1 1P02839S [0,0,0,0,0,0|2,0,2]=4 62 B6R1.2 C[C@H]1CNCC1 1P002NXA [0,0,0,0,0,0|1,0,3]=4 63 B6R1.2 C[C@H]1CNCO1 1P028LZ2 [0,0,0,0,0,0|2,0,2]=4 64 B6R1.2 C[C@H]1CNCS1 1P0283O1 [0,0,0,0,0,0|2,0,2]=4 65 B6R1.2 Cc1[n-]ccn1 1P00EFKI [0,0,0,0,0,0|4,0,0]=4 66 B6R1.2 Cc1c[nH+][nH]c1 1P00DF5M [0,0,0,0,0,0|0,0,1]=1 67 B6R1.2 Cc1c[nH]cc1 1P00347O [0,0,0,0,0,0|1,0,0]=1 68 B6R1.2 Cc1c[nH]cn1 1P0034KA [0,0,0,0,0,0|2,0,0]=2 69 B6R1.2 Cc1c[nH]nc1 1P0034KB [0,0,0,0,0,0|0,0,0]=0 70 B6R1.2 Cc1cc[nH]n1 1P001L8I [0,0,0,0,0,0|2,0,0]=2 71 B6R1.2 Cc1ccc[nH]1 1P0036CQ [0,0,0,0,0,0|3,0,0]=3 72 B6R1.2 Cc1ccco1 1P003I5W [0,0,0,0,0,0|3,0,0]=3 73 B6R1.2 Cc1ccn[nH]1 1P00GV5F [0,0,0,0,0,0|2,0,0]=2 74 B6R1.2 Cc1ccn[nH]1 1P00HFKT [0,0,0,0,0,0|2,0,0]=2 75 B6R1.2 Cc1ccno1 1P0034RJ [0,0,0,0,0,0|2,0,0]=2 76 B6R1.2 Cc1ccns1 1P00FD3O [0,0,0,0,0,0|2,0,0]=2 77 B6R1.2 Cc1ccon1 1P0031XW [0,0,0,0,0,0|3,0,0]=3 78 B6R1.2 Cc1cn[nH]n1 1P002GA1 [0,0,0,0,0,0|1,0,0]=1 79 B6R1.2 Cc1cnc[nH]1 1P002MX4 [0,0,0,0,0,0|2,0,0]=2 80 B6R1.2 Cc1cnco1 1P0037GR [0,0,0,0,0,0|2,0,0]=2 81 B6R1.2 Cc1cncs1 1P003ND8 [0,0,0,0,0,0|2,0,0]=2 82 B6R1.2 Cc1cnn[nH]1 1P002VA9 [0,0,0,0,0,0|1,0,1]=2 83 B6R1.2 Cc1cnon1 1P002SJZ [0,0,0,0,0,0|2,0,0]=2 84 B6R1.2 Cc1cocc1 1P003K7Y [0,0,0,0,0,0|2,0,0]=2 85 B6R1.2 Cc1cocn1 1P00376B [0,0,0,0,0,0|3,0,0]=3 86 B6R1.2 Cc1conc1 1P00EDTH [0,0,0,0,0,0|1,0,0]=1 87 B6R1.2 Cc1cscc1 1P0037J4 [0,0,0,0,0,0|2,0,0]=2 88 B6R1.2 Cc1cscn1 1P0034KU [0,0,0,0,0,0|3,0,0]=3 89 B6R1.2 Cc1csnc1 1P00FFVP [0,0,0,0,0,0|1,0,0]=1 90 B6R1.2 Cc1csnn1 1P0023VD [0,0,0,0,0,0|2,0,0]=2 91 B6R1.2 Cc1n[nH]cn1 1P00347N [0,0,0,0,0,0|3,0,0]=3 92 B6R1.2 Cc1ncc[nH]1 1P0033UW [0,0,0,0,0,0|4,0,0]=4 93 B6R1.2 Cc1ncc[nH]1 1P01FPHT [0,0,0,0,0,0|4,0,0]=4 94 B6R1.2 Cc1ncco1 1P002MBP [0,0,0,0,0,0|4,0,0]=4 95 B6R1.2 Cc1nccs1 1P003I7G [0,0,0,0,0,0|4,0,0]=4 96 B6R1.2 Cc1nnco1 1P0033UG [0,0,0,0,0,0|3,0,0]=3 97 B6R1.2 Cc1nnn[nH]1 1P00IKYB [0,0,0,0,0,0|2,0,1]=3 98 B6R1.2 ClC1=CCCC1 1P003ENR [0,0,0,0,0,0|3,0,1]=4 99 B6R1.2 Clc1c[nH]nc1 1P001RBV [0,0,0,0,0,0|1,0,0]=1 100 B6R1.2 Clc1cc[nH]n1 1P0039E9 [0,0,0,0,0,0|3,0,0]=3 101 B6R1.2 Clc1cccs1 1P0033WN [0,0,0,0,0,0|4,0,0]=4 102 B6R1.2 Clc1ccn[nH]1 1P00H1ES [0,0,0,0,0,0|3,0,0]=3 103 B6R1.2 Clc1ccon1 1P005DEE [0,0,0,0,0,0|4,0,0]=4 104 B6R1.2 Clc1ccsn1 1P001ID4 [0,0,0,0,0,0|4,0,0]=4 105 B6R1.2 Clc1cnc[nH]1 1P001RQY [0,0,0,0,0,0|3,0,0]=3 106 B6R1.2 Clc1cncs1 1P01B60F [0,0,0,0,0,0|3,0,0]=3 107 B6R1.2 Clc1cnns1 1P00BYEY [0,0,0,0,0,0|2,0,1]=3 108 B6R1.2 Clc1cnsn1 1P00J3EE [0,0,0,0,0,0|3,0,0]=3 109 B6R1.2 Clc1cscc1 1P0038PL [0,0,0,0,0,0|3,0,0]=3 110 B6R1.2 Clc1cscn1 1P003LP9 [0,0,0,0,0,0|4,0,0]=4 111 B6R1.2 Clc1csnc1 1P002QQB [0,0,0,0,0,0|2,0,0]=2 112 B6R1.2 Clc1n[nH]cn1 1P005MDU [0,0,0,0,0,0|4,0,0]=4 113 B6R1.2 Clc1ncns1 1P007AF2 [0,0,0,0,0,0|4,0,0]=4 114 B6R1.2 Clc1nncs1 1P00DIEM [0,0,0,0,0,0|4,0,0]=4 115 B6R1.2 Cn1cccc1 1P003TMI [0,0,0,0,0,0|3,0,0]=3 116 B6R1.2 Cn1cccn1 1P003EXX [0,0,0,0,0,0|4,0,0]=4 117 B6R1.2 Cn1ccnn1 1P0036FO [0,0,0,0,0,0|3,0,0]=3 118 B6R1.2 Cn1cncc1 1P001NMJ [0,0,0,0,0,0|2,0,0]=2 119 B6R1.2 Cn1cncc1 1P007BCU [0,0,0,0,0,0|2,0,0]=2 120 B6R1.2 Cn1cncn1 1P003EXL [0,0,0,0,0,0|3,0,0]=3 121 B6R1.2 Cn1cnnc1 1P0092FW [0,0,0,0,0,0|1,0,1]=2 122 B6R1.2 Cn1cnnn1 1P007E21 [0,0,0,0,0,0|2,0,1]=3 123 B6R1.2 Cn1nncn1 1P007WZ6 [0,0,0,0,0,0|4,0,0]=4 124 B6R1.2 FC1=CCNC1 1P0204LU [0,0,0,0,0,0|2,0,1]=3 125 B6R1.2 Fc1c[nH]nc1 1P0036N9 [0,0,0,0,0,0|1,0,0]=1 126 B6R1.2 Fc1c[nH]nc1 1P00I3ON [0,0,0,0,0,0|1,0,0]=1 127 B6R1.2 Fc1cc[nH]n1 1P001L54 [0,0,0,0,0,0|3,0,0]=3 128 B6R1.2 Fc1cccs1 1P00BYBL [0,0,0,0,0,0|4,0,0]=4 129 B6R1.2 Fc1cnc[nH]1 1P007K08 [0,0,0,0,0,0|3,0,0]=3 130 B6R1.2 Fc1cocc1 1P0292CG [0,0,0,0,0,0|3,0,0]=3 131 B6R1.2 Fc1cscc1 1P003268 [0,0,0,0,0,0|3,0,0]=3 132 B6R1.2 Fc1ncn[nH]1 1P00CLJL [0,0,0,0,0,0|4,0,0]=4 133 B6R1.2 IC1=CCCC1 1P00AYUI [0,0,0,0,0,0|3,0,1]=4 134 B6R1.2 IC1=COCC1 1P01JVAB [0,0,0,0,0,0|3,0,1]=4 135 B6R1.2 Ic1c[nH]cn1 1P0034JK [0,0,0,0,0,0|3,0,0]=3 136 B6R1.2 Ic1c[nH]nc1 1P003M1M [0,0,0,0,0,0|1,0,0]=1 137 B6R1.2 Ic1cc[nH]n1 1P00037Y [0,0,0,0,0,0|3,0,0]=3 138 B6R1.2 Ic1cccs1 1P0033TX [0,0,0,0,0,0|4,0,0]=4 139 B6R1.2 Ic1ccn[nH]1 1P0038Q7 [0,0,0,0,0,0|3,0,0]=3 140 B6R1.2 Ic1ccns1 1P00J3CN [0,0,0,0,0,0|3,0,0]=3 141 B6R1.2 Ic1cnco1 1P027WF8 [0,0,0,0,0,0|3,0,0]=3 142 B6R1.2 Ic1cncs1 1P009R22 [0,0,0,0,0,0|3,0,0]=3 143 B6R1.2 Ic1cnn[nH]1 1P01BK7I [0,0,0,0,0,0|2,0,1]=3 144 B6R1.2 Ic1cocn1 1P01BJ4G [0,0,0,0,0,0|4,0,0]=4 145 B6R1.2 Ic1conc1 1P004YU2 [0,0,0,0,0,0|2,0,0]=2 146 B6R1.2 Ic1cscc1 1P00860K [0,0,0,0,0,0|3,0,0]=3 147 B6R1.2 Ic1cscn1 1P01BUQT [0,0,0,0,0,0|4,0,0]=4 148 B6R1.2 Ic1csnc1 1P00DCN7 [0,0,0,0,0,0|2,0,0]=2 149 B6R1.2 Ic1csnn1 1P028QT4 [0,0,0,0,0,0|3,0,0]=3 150 B6R1.2 Ic1n[nH]cn1 1P008PIP [0,0,0,0,0,0|4,0,0]=4 151 B6R1.2 Ic1nncs1 1P00CB6F [0,0,0,0,0,0|4,0,0]=4 152 B6R1.2 N=c1[nH]nc[nH]1 1P01JAEN [0,0,0,0,0,0|4,0,0]=4 153 B6R1.2 N=c1nn[nH][nH]1 1P003MVE [0,0,0,0,0,0|3,0,0]=3 154 B6R1.2 NC1=CCNN1 1P01C548 [0,0,0,0,0,0|3,0,0]=3 155 B6R1.2 NC1C=CN=N1 1P009BAP [0,0,0,0,0,0|3,0,1]=4 156 B6R1.2 N[C-]1C=CC=C1 1P000XDB [0,0,0,0,0,0|3,0,1]=4 157 B6R1.2 Nc1c[nH]cc1 1P003AMF [0,0,0,0,0,0|2,0,0]=2 158 B6R1.2 Nc1c[nH]nc1 1P002VTR [0,0,0,0,0,0|1,0,0]=1 159 B6R1.2 Nc1c[nH]nc1 1P0074MC [0,0,0,0,0,0|1,0,0]=1 160 B6R1.2 Nc1c[nH]nc1 1P0092UA [0,0,0,0,0,0|1,0,0]=1 161 B6R1.2 Nc1c[nH]nn1 1P00C2F7 [0,0,0,0,0,0|2,0,0]=2 162 B6R1.2 Nc1ccn[nH]1 1P00I0ST [0,0,0,0,0,0|3,0,0]=3 163 B6R1.2 Nc1ccno1 1P001ES2 [0,0,0,0,0,0|3,0,0]=3 164 B6R1.2 Nc1ccns1 1P003AW8 [0,0,0,0,0,0|3,0,0]=3 165 B6R1.2 Nc1ccon1 1P0020K7 [0,0,0,0,0,0|4,0,0]=4 166 B6R1.2 Nc1cn[nH]n1 1P00J1V3 [0,0,0,0,0,0|2,0,0]=2 167 B6R1.2 Nc1cnc[nH]1 1P000S6U [0,0,0,0,0,0|3,0,0]=3 168 B6R1.2 Nc1cncs1 1P0025NE [0,0,0,0,0,0|3,0,0]=3 169 B6R1.2 Nc1cncs1 1P0034NP [0,0,0,0,0,0|3,0,0]=3 170 B6R1.2 Nc1cnns1 1P0034N4 [0,0,0,0,0,0|2,0,1]=3 171 B6R1.2 Nc1cnon1 1P00646W [0,0,0,0,0,0|3,0,0]=3 172 B6R1.2 Nc1cnsn1 1P01A0F4 [0,0,0,0,0,0|3,0,0]=3 173 B6R1.2 Nc1conc1 1P008RI0 [0,0,0,0,0,0|2,0,0]=2 174 B6R1.2 Nc1conc1 1P008U89 [0,0,0,0,0,0|2,0,0]=2 175 B6R1.2 Nc1cscc1 1P00BFOP [0,0,0,0,0,0|3,0,0]=3 176 B6R1.2 Nc1cscn1 1P0025NF [0,0,0,0,0,0|4,0,0]=4 177 B6R1.2 Nc1csnc1 1P0037IR [0,0,0,0,0,0|2,0,0]=2 178 B6R1.2 Nc1csnc1 1P00EIUC [0,0,0,0,0,0|2,0,0]=2 179 B6R1.2 Nc1csnc1 1P01B2JY [0,0,0,0,0,0|2,0,0]=2 180 B6R1.2 Nc1csnn1 1P01BEQH [0,0,0,0,0,0|3,0,0]=3 181 B6R1.2 Nc1nc[nH]c1 1P0039YW [0,0,0,0,0,0|3,0,0]=3 182 B6R1.2 Nc1ncns1 1P001RDR [0,0,0,0,0,0|4,0,0]=4 183 B6R1.2 Nc1ncns1 1P003DRQ [0,0,0,0,0,0|4,0,0]=4 184 B6R1.2 Nc1ncns1 1P008QCV [0,0,0,0,0,0|4,0,0]=4 185 B6R1.2 Nc1nnc[nH]1 1P00EIW3 [0,0,0,0,0,0|4,0,0]=4 186 B6R1.2 Nc1nnco1 1P00CJA5 [0,0,0,0,0,0|4,0,0]=4 187 B6R1.2 Nc1nncs1 1P0033JF [0,0,0,0,0,0|4,0,0]=4 188 B6R1.2 Nc1nnn[nH]1 1P0034N7 [0,0,0,0,0,0|3,0,1]=4 189 B6R1.2 Nc1nnns1 1P00FEDF [0,0,0,0,0,0|3,0,1]=4 190 B6R1.2 Nc1scnc1 1P01C520 [0,0,0,0,0,0|3,0,0]=3 191 B6R1.2 Nn1cccc1 1P00G2U0 [0,0,0,0,0,0|4,0,0]=4 192 B6R1.2 Nn1ccnn1 1P0036O7 [0,0,0,0,0,0|4,0,0]=4 193 B6R1.2 Nn1ccnn1 1P01AVE6 [0,0,0,0,0,0|4,0,0]=4 194 B6R1.2 Nn1cncc1 1P003959 [0,0,0,0,0,0|3,0,0]=3 195 B6R1.2 Nn1cncc1 1P0039HI [0,0,0,0,0,0|3,0,0]=3 196 B6R1.2 Nn1cncn1 1P002QLD [0,0,0,0,0,0|4,0,0]=4 197 B6R1.2 Nn1cnnc1 1P003L42 [0,0,0,0,0,0|2,0,1]=3 198 B6R1.2 O=C1CNCC1 1P003KD3 [0,0,0,0,0,0|2,0,2]=4 199 B6R1.2 O=C1N=NC=N1 1P00BXUB [0,0,0,0,0,0|4,0,0]=4 200 B6R1.2 O=c1cc[nH][nH]1 1P00134W [0,0,0,0,0,0|3,0,0]=3 201 B6R1.2 O=c1cco[nH]1 1P00ED6J [0,0,0,0,0,0|4,0,0]=4 202 B6R1.2 O=c1ccs[nH]1 1P0001YJ [0,0,0,0,0,0|4,0,0]=4 203 B6R1.2 O=c1nc[nH][nH]1 1P00GRQM [0,0,0,0,0,0|4,0,0]=4 204 B6R1.2 O=c1nn[nH][nH]1 1P001V69 [0,0,0,0,0,0|3,0,0]=3 205 B6R1.2 O=c1ocn[nH]1 1P00J30X [0,0,0,0,0,0|4,0,0]=4 206 B6R1.2 O=c1scn[nH]1 1P004Y70 [0,0,0,0,0,0|4,0,0]=4 207 B6R1.2 Oc1c[nH]cn1 1P0063WX [0,0,0,0,0,0|3,0,0]=3 208 B6R1.2 Oc1c[nH]nc1 1P0034J7 [0,0,0,0,0,0|1,0,0]=1 209 B6R1.2 Oc1c[nH]nc1 1P00J2QO [0,0,0,0,0,0|1,0,0]=1 210 B6R1.2 Oc1c[nH]nn1 1P00848B [0,0,0,0,0,0|2,0,0]=2 211 B6R1.2 Oc1cc[nH]n1 1P00EIV8 [0,0,0,0,0,0|3,0,0]=3 212 B6R1.2 Oc1cccs1 1P007WJZ [0,0,0,0,0,0|4,0,0]=4 213 B6R1.2 Oc1ccn[nH]1 1P00EF5X [0,0,0,0,0,0|3,0,0]=3 214 B6R1.2 Oc1cnsn1 1P00F041 [0,0,0,0,0,0|3,0,0]=3 215 B6R1.2 Oc1conc1 1P00G9VS [0,0,0,0,0,0|2,0,0]=2 216 B6R1.2 Oc1cscc1 1P007DIM [0,0,0,0,0,0|3,0,0]=3 217 B6R1.2 Oc1ncn[nH]1 1P0017LF [0,0,0,0,0,0|4,0,0]=4 218 B6R1.2 S=c1ccss1 1P01E558 [0,0,0,0,0,0|4,0,0]=4 219 B6R1.2 Sc1c[nH]nc1 1P0221KR [0,0,0,0,0,0|1,0,0]=1 220 B6R1.2 Sc1c[nH]nn1 1P003UQZ [0,0,0,0,0,0|2,0,0]=2 221 B6R1.2 Sc1cc[nH]n1 1P028LHX [0,0,0,0,0,0|3,0,0]=3 222 B6R1.2 Sc1cccs1 1P003IEZ [0,0,0,0,0,0|4,0,0]=4 223 B6R1.2 Sc1cscc1 1P00589C [0,0,0,0,0,0|3,0,0]=3 224 B6R1.2 Sc1n[nH]cn1 1P00338A [0,0,0,0,0,0|4,0,0]=4 225 B6R1.2 Sc1nncs1 1P003HYN [0,0,0,0,0,0|4,0,0]=4 226 B6R1.2 [Fe]C1=CC=CC1 1P003PMR [0,0,0,0,0,0|3,0,1]=4 227 B6R1.2 [Li]C1C=CC=C1 1P001XS4 [0,0,0,0,0,0|3,0,1]=4 228 B6R1.2 [Mn]C1=CC=CC1 1P003PMS [0,0,0,0,0,0|3,0,1]=4 229 B6R1.2 [S-]c1cnns1 1P00G2O4 [0,0,0,0,0,0|2,0,1]=3 230 B6R1.2 [Tl]C1=CC=CC1 1P00C19M [0,0,0,0,0,0|3,0,1]=4 231 B5R1.1 C1C=CC=C1 1P003OR4 [1,0,0,0,0,0|2,0,0]=3 232 B5R1.1 C1CC=CC1 1P003PN5 [1,0,0,0,0,0|2,0,1]=4 233 B5R1.1 C1CNC=N1 1P00DUO1 [1,0,0,0,0,0|2,0,1]=4 234 B5R1.1 N1CC=CC1 1P00348W [1,0,0,0,0,0|1,0,1]=3 235 B5R1.1 N1CC=CC1 1P003GF8 [1,0,0,0,0,0|1,0,1]=3 236 B5R1.1 S1CC=CC1 1P00B09R [1,0,0,0,0,0|2,0,1]=4 237 B5R1.1 [C-]1=CC=CC1 1P003D61 [1,0,0,0,0,0|2,0,0]=3 238 B5R1.1 [C-]1=CC=CC1 1P003OR0 [1,0,0,0,0,0|2,0,0]=3 239 B5R1.1 [C-]1=CC=CC1 1P003PMV [1,0,0,0,0,0|2,0,0]=3 240 B5R1.1 [CH-]1C=CC=C1 1P0006P5 [1,0,0,0,0,0|2,0,0]=3 241 B5R1.1 [CH-]1C=CC=C1 1P000X50 [1,0,0,0,0,0|2,0,0]=3 242 B5R1.1 [CH-]1C=CC=C1 1P000X52 [1,0,0,0,0,0|2,0,0]=3 243 B5R1.1 [CH-]1C=CC=C1 1P000XDC [1,0,0,0,0,0|2,0,0]=3 244 B5R1.1 [CH-]1C=CC=C1 1P000XSL [1,0,0,0,0,0|2,0,0]=3 245 B5R1.1 [CH-]1C=CC=C1 1P000XSM [1,0,0,0,0,0|2,0,0]=3 246 B5R1.1 [CH-]1C=CC=C1 1P000YBD [1,0,0,0,0,0|2,0,0]=3 247 B5R1.1 [CH-]1C=CC=C1 1P000YSN [1,0,0,0,0,0|2,0,0]=3 248 B5R1.1 [CH]1C=CC=C1 1P000X4R [1,0,0,0,0,0|2,0,0]=3 249 B5R1.1 [CH]1C=CC=C1 1P003OQZ [1,0,0,0,0,0|2,0,0]=3 250 B5R1.1 [CH]1C=CC=C1 1P003PMU [1,0,0,0,0,0|2,0,0]=3 251 B5R1.1 [CH]1C=CC=C1 1P003PMW [1,0,0,0,0,0|2,0,0]=3 252 B5R1.1 [nH]1ccnc1 1P00BFOE [1,0,0,0,0,0|2,0,0]=3 253 B5R1.1 c1ccc[nH]1 1P00360L [1,0,0,0,0,0|1,0,0]=2 254 B5R1.1 c1cccs1 1P0038GZ [1,0,0,0,0,0|2,0,0]=3 255 B5R1.1 c1ccn[nH]1 1P002X05 [1,0,0,0,0,0|0,0,0]=1 256 B5R1.1 c1ccno1 1P002X04 [1,0,0,0,0,0|1,0,0]=2 257 B5R1.1 c1ccns1 1P002X03 [1,0,0,0,0,0|1,0,0]=2 258 B5R1.1 c1cn[nH]n1 1P002X0X [1,0,0,0,0,0|1,0,0]=2 259 B5R1.1 c1cnn[nH]1 1P002X0W [1,0,0,0,0,0|1,0,0]=2 260 B5R1.1 c1nc[n-]n1 1P00330T [1,0,0,0,0,0|1,0,1]=3 261 B5R1.1 c1ncc[nH]1 1P001EPB [1,0,0,0,0,0|2,0,0]=3 262 B5R1.1 c1ncc[nH]1 1P002X0Y [1,0,0,0,0,0|2,0,0]=3 263 B5R1.1 c1ncc[nH]1 1P008YHM [1,0,0,0,0,0|2,0,0]=3 264 B5R1.1 c1ncc[nH]1 1P00FF02 [1,0,0,0,0,0|2,0,0]=3 265 B5R1.1 c1ncco1 1P002X0R [1,0,0,0,0,0|2,0,0]=3 266 B5R1.1 c1nccs1 1P002X0Q [1,0,0,0,0,0|2,0,0]=3 267 B5R1.1 c1ncn[nH]1 1P002X0F [1,0,0,0,0,0|1,0,0]=2 268 B5R1.1 o1cnnc1 1P002X1N [1,0,0,0,0,0|1,0,1]=3 269 B5R1.1 s1cnnc1 1P002XGM [1,0,0,0,0,0|1,0,1]=3 270 B7R1.1 BrCC1=CCCC1 1P00FM0P [0,1,0,0,0,0|2,0,1]=4 271 B7R1.1 BrCc1c[nH]cn1 1P00DKVA [0,1,0,0,0,0|2,0,0]=3 272 B7R1.1 BrCc1c[nH]nc1 1P01BAG9 [0,1,0,0,0,0|0,0,0]=1 273 B7R1.1 BrCc1cc[nH]n1 1P01BBQF [0,1,0,0,0,0|2,0,0]=3 274 B7R1.1 BrCc1cccs1 1P003A54 [0,1,0,0,0,0|3,0,0]=4 275 B7R1.1 BrCc1ccno1 1P005IU1 [0,1,0,0,0,0|2,0,0]=3 276 B7R1.1 BrCc1ccns1 1P00BNV7 [0,1,0,0,0,0|2,0,0]=3 277 B7R1.1 BrCc1ccon1 1P005JQO [0,1,0,0,0,0|3,0,0]=4 278 B7R1.1 BrCc1cnco1 1P000X8S [0,1,0,0,0,0|2,0,0]=3 279 B7R1.1 BrCc1cncs1 1P00IJOS [0,1,0,0,0,0|2,0,0]=3 280 B7R1.1 BrCc1cnns1 1P01BBDX [0,1,0,0,0,0|1,0,1]=3 281 B7R1.1 BrCc1cnon1 1P01DTB8 [0,1,0,0,0,0|2,0,0]=3 282 B7R1.1 BrCc1cnsn1 1P019SY8 [0,1,0,0,0,0|2,0,0]=3 283 B7R1.1 BrCc1cocc1 1P00ED8I [0,1,0,0,0,0|2,0,0]=3 284 B7R1.1 BrCc1cocn1 1P008U5Y [0,1,0,0,0,0|3,0,0]=4 285 B7R1.1 BrCc1conc1 1P00E9OI [0,1,0,0,0,0|1,0,0]=2 286 B7R1.1 BrCc1cscn1 1P0036OC [0,1,0,0,0,0|3,0,0]=4 287 B7R1.1 BrCc1ncno1 1P01C6TW [0,1,0,0,0,0|3,0,0]=4 288 B7R1.1 C#Cc1c[nH]nc1 1P003AFJ [0,1,0,0,0,0|0,0,1]=2 289 B7R1.1 C#Cc1ccn[nH]1 1P00BJWR [0,1,0,0,0,0|2,0,1]=4 290 B7R1.1 C#Cc1ccns1 1P01C36A [0,1,0,0,0,0|2,0,1]=4 291 B7R1.1 C#Cc1cnc[nH]1 1P00EM44 [0,1,0,0,0,0|2,0,1]=4 292 B7R1.1 C#Cc1cnco1 1P01DRZ2 [0,1,0,0,0,0|2,0,1]=4 293 B7R1.1 C#Cc1cncs1 1P004NIS [0,1,0,0,0,0|2,0,1]=4 294 B7R1.1 C#Cc1cnn[nH]1 1P027NC6 [0,1,0,0,0,0|1,0,2]=4 295 B7R1.1 C#Cc1cocc1 1P00DGD0 [0,1,0,0,0,0|2,0,1]=4 296 B7R1.1 C#Cc1cscc1 1P003JVK [0,1,0,0,0,0|2,0,1]=4 297 B7R1.1 C#Cc1csnc1 1P01EN98 [0,1,0,0,0,0|1,0,1]=3 298 B7R1.1 C#Cc1csnn1 1P01DRYK [0,1,0,0,0,0|2,0,1]=4 299 B7R1.1 C=Cc1c[nH]cn1 1P01BJ1I [0,1,0,0,0,0|2,0,1]=4 300 B7R1.1 C=Cc1c[nH]nc1 1P027OES [0,1,0,0,0,0|0,0,1]=2 301 B7R1.1 C=Cc1cc[nH]n1 1P003AWK [0,1,0,0,0,0|2,0,1]=4 302 B7R1.1 C=Cc1cncs1 1P01BRJP [0,1,0,0,0,0|2,0,1]=4 303 B7R1.1 C=Cc1cscc1 1P0012UB [0,1,0,0,0,0|2,0,1]=4 304 B7R1.1 CCC1=CCCC1 1P003ER5 [0,1,0,0,0,0|2,0,1]=4 305 B7R1.1 CC[C-]1C=CC=C1 1P000XD7 [0,1,0,0,0,0|2,0,1]=4 306 B7R1.1 CC[C-]1C=CC=C1 1P000XD9 [0,1,0,0,0,0|2,0,1]=4 307 B7R1.1 CCc1c[nH]cc1 1P00APDI [0,1,0,0,0,0|1,0,0]=2 308 B7R1.1 CCc1c[nH]nc1 1P00B6AX [0,1,0,0,0,0|0,0,0]=1 309 B7R1.1 CCc1cc[nH]n1 1P0018FG [0,1,0,0,0,0|2,0,0]=3 310 B7R1.1 CCc1ccc[nH]1 1P0033RK [0,1,0,0,0,0|3,0,0]=4 311 B7R1.1 CCc1ccco1 1P003HOB [0,1,0,0,0,0|3,0,0]=4 312 B7R1.1 CCc1cccs1 1P003HOV [0,1,0,0,0,0|3,0,0]=4 313 B7R1.1 CCc1ccon1 1P028EIU [0,1,0,0,0,0|3,0,0]=4 314 B7R1.1 CCc1cn[nH]n1 1P024SQ7 [0,1,0,0,0,0|1,0,0]=2 315 B7R1.1 CCc1cnc[nH]1 1P001J1R [0,1,0,0,0,0|2,0,0]=3 316 B7R1.1 CCc1cnco1 1P007IH6 [0,1,0,0,0,0|2,0,0]=3 317 B7R1.1 CCc1cocn1 1P01B79E [0,1,0,0,0,0|3,0,0]=4 318 B7R1.1 CCc1cscc1 1P0027I2 [0,1,0,0,0,0|2,0,0]=3 319 B7R1.1 CCc1cscn1 1P00250B [0,1,0,0,0,0|3,0,0]=4 320 B7R1.1 CCc1csnc1 1P01BYG2 [0,1,0,0,0,0|1,0,0]=2 321 B7R1.1 CCc1n[nH]cn1 1P0039JI [0,1,0,0,0,0|3,0,0]=4 322 B7R1.1 CCc1n[nH]nn1 1P001XG5 [0,1,0,0,0,0|2,0,0]=3 323 B7R1.1 CCc1nnco1 1P000WQS [0,1,0,0,0,0|3,0,0]=4 324 B7R1.1 CCc1nnn[nH]1 1P00DLXP [0,1,0,0,0,0|2,0,1]=4 325 B7R1.1 CCn1cccc1 1P00EBJW [0,1,0,0,0,0|3,0,0]=4 326 B7R1.1 CCn1ccnn1 1P00K7KQ [0,1,0,0,0,0|3,0,0]=4 327 B7R1.1 CCn1ccnn1 1P028VSK [0,1,0,0,0,0|3,0,0]=4 328 B7R1.1 CCn1cncc1 1P003ES2 [0,1,0,0,0,0|2,0,0]=3 329 B7R1.1 CCn1cncn1 1P001Y2E [0,1,0,0,0,0|3,0,0]=4 330 B7R1.1 CCn1cnnc1 1P00DUIQ [0,1,0,0,0,0|1,0,1]=3 331 B7R1.1 CCn1cnnn1 1P002QYP [0,1,0,0,0,0|2,0,1]=4 332 B7R1.1 CNc1c[nH]nc1 1P019TPX [0,1,0,0,0,0|0,0,0]=1 333 B7R1.1 CNc1cc[nH]n1 1P00E6KF [0,1,0,0,0,0|2,0,0]=3 334 B7R1.1 CNc1ccon1 1P00HS5D [0,1,0,0,0,0|3,0,0]=4 335 B7R1.1 CNc1ccon1 1P00IAF9 [0,1,0,0,0,0|3,0,0]=4 336 B7R1.1 CNc1ccsn1 1P028UZC [0,1,0,0,0,0|3,0,0]=4 337 B7R1.1 CNc1cnn[nH]1 1P0282XF [0,1,0,0,0,0|1,0,1]=3 338 B7R1.1 CNc1cscc1 1P01B2HP [0,1,0,0,0,0|2,0,0]=3 339 B7R1.1 CNc1n[nH]cn1 1P00B5HT [0,1,0,0,0,0|3,0,0]=4 340 B7R1.1 CNc1nnco1 1P01BTTZ [0,1,0,0,0,0|3,0,0]=4 341 B7R1.1 CNc1nncs1 1P00I84C [0,1,0,0,0,0|3,0,0]=4 342 B7R1.1 CNc1nnn[nH]1 1P01B73J [0,1,0,0,0,0|2,0,1]=4 343 B7R1.1 CNc1nnn[nH]1 1P01B73U [0,1,0,0,0,0|2,0,1]=4 344 B7R1.1 CNc1nnns1 1P01C5MX [0,1,0,0,0,0|2,0,1]=4 345 B7R1.1 CNn1cccc1 1P02902L [0,1,0,0,0,0|3,0,0]=4 346 B7R1.1 COC1=CCCC1 1P0094KJ [0,1,0,0,0,0|2,0,1]=4 347 B7R1.1 COc1c[nH]cn1 1P0048ET [0,1,0,0,0,0|2,0,0]=3 348 B7R1.1 COc1c[nH]nc1 1P001LPP [0,1,0,0,0,0|0,0,0]=1 349 B7R1.1 COc1c[nH]nc1 1P01B6QU [0,1,0,0,0,0|0,0,0]=1 350 B7R1.1 COc1cc[nH]n1 1P00I4N8 [0,1,0,0,0,0|2,0,0]=3 351 B7R1.1 COc1cccs1 1P001YI0 [0,1,0,0,0,0|3,0,0]=4 352 B7R1.1 COc1ccsn1 1P01BDQO [0,1,0,0,0,0|3,0,0]=4 353 B7R1.1 COc1cscc1 1P0021M3 [0,1,0,0,0,0|2,0,0]=3 354 B7R1.1 COc1nncs1 1P004Y6Z [0,1,0,0,0,0|3,0,0]=4 355 B7R1.1 CSc1c[nH]cn1 1P0036YT [0,1,0,0,0,0|2,0,0]=3 356 B7R1.1 CSc1c[nH]nc1 1P009JTI [0,1,0,0,0,0|0,0,0]=1 357 B7R1.1 CSc1cc[nH]n1 1P0283LV [0,1,0,0,0,0|2,0,0]=3 358 B7R1.1 CSc1ccc[nH]1 1P01ID3L [0,1,0,0,0,0|3,0,0]=4 359 B7R1.1 CSc1ccco1 1P000WBV [0,1,0,0,0,0|3,0,0]=4 360 B7R1.1 CSc1cccs1 1P0033CD [0,1,0,0,0,0|3,0,0]=4 361 B7R1.1 CSc1cncs1 1P01BU59 [0,1,0,0,0,0|2,0,0]=3 362 B7R1.1 CSc1cscc1 1P002JFX [0,1,0,0,0,0|2,0,0]=3 363 B7R1.1 CSc1n[nH]nn1 1P002Z34 [0,1,0,0,0,0|2,0,0]=3 364 B7R1.1 CSc1nnc[nH]1 1P005U9S [0,1,0,0,0,0|3,0,0]=4 365 B7R1.1 CSc1nnc[nH]1 1P028EL9 [0,1,0,0,0,0|3,0,0]=4 366 B7R1.1 CSc1nncs1 1P028THD [0,1,0,0,0,0|3,0,0]=4 367 B7R1.1 ClCc1c[nH]cn1 1P00I84M [0,1,0,0,0,0|2,0,0]=3 368 B7R1.1 ClCc1c[nH]nc1 1P001U3B [0,1,0,0,0,0|0,0,0]=1 369 B7R1.1 ClCc1c[nH]nn1 1P01B9YX [0,1,0,0,0,0|1,0,0]=2 370 B7R1.1 ClCc1cc[nH]n1 1P003IO3 [0,1,0,0,0,0|2,0,0]=3 371 B7R1.1 ClCc1cccs1 1P005XFR [0,1,0,0,0,0|3,0,0]=4 372 B7R1.1 ClCc1ccno1 1P00ECFK [0,1,0,0,0,0|2,0,0]=3 373 B7R1.1 ClCc1ccns1 1P0078AS [0,1,0,0,0,0|2,0,0]=3 374 B7R1.1 ClCc1ccon1 1P00IAQH [0,1,0,0,0,0|3,0,0]=4 375 B7R1.1 ClCc1ccsn1 1P020M65 [0,1,0,0,0,0|3,0,0]=4 376 B7R1.1 ClCc1cnco1 1P007W6B [0,1,0,0,0,0|2,0,0]=3 377 B7R1.1 ClCc1cncs1 1P009I1Z [0,1,0,0,0,0|2,0,0]=3 378 B7R1.1 ClCc1cncs1 1P00DCWM [0,1,0,0,0,0|2,0,0]=3 379 B7R1.1 ClCc1cnon1 1P01A0MR [0,1,0,0,0,0|2,0,0]=3 380 B7R1.1 ClCc1cnsn1 1P01C4VS [0,1,0,0,0,0|2,0,0]=3 381 B7R1.1 ClCc1cocn1 1P005ISW [0,1,0,0,0,0|3,0,0]=4 382 B7R1.1 ClCc1cocn1 1P00FH8Z [0,1,0,0,0,0|3,0,0]=4 383 B7R1.1 ClCc1cscc1 1P00C23C [0,1,0,0,0,0|2,0,0]=3 384 B7R1.1 ClCc1cscn1 1P003KNK [0,1,0,0,0,0|3,0,0]=4 385 B7R1.1 ClCc1csnc1 1P01DX9B [0,1,0,0,0,0|1,0,0]=2 386 B7R1.1 ClCc1csnn1 1P01BBI0 [0,1,0,0,0,0|2,0,0]=3 387 B7R1.1 ClCc1n[nH]cn1 1P01B76A [0,1,0,0,0,0|3,0,0]=4 388 B7R1.1 ClCc1ncno1 1P019M1U [0,1,0,0,0,0|3,0,0]=4 389 B7R1.1 ClCc1nnco1 1P00370N [0,1,0,0,0,0|3,0,0]=4 390 B7R1.1 ClCc1nncs1 1P019ZE1 [0,1,0,0,0,0|3,0,0]=4 391 B7R1.1 ClCc1nnn[nH]1 1P00384P [0,1,0,0,0,0|2,0,1]=4 392 B7R1.1 N#Cc1c[nH]cc1 1P006ADD [0,1,0,0,0,0|1,0,1]=3 393 B7R1.1 N#Cc1c[nH]nc1 1P00338L [0,1,0,0,0,0|0,0,1]=2 394 B7R1.1 N#Cc1cocc1 1P003JYX [0,1,0,0,0,0|2,0,1]=4 395 B7R1.1 N#Cc1conc1 1P00FALK [0,1,0,0,0,0|1,0,1]=3 396 B7R1.1 N#Cc1cscc1 1P001V4K [0,1,0,0,0,0|2,0,1]=4 397 B7R1.1 N#Cc1csnc1 1P00CLGC [0,1,0,0,0,0|1,0,1]=3 398 B7R1.1 N#Cn1cncc1 1P00BZ96 [0,1,0,0,0,0|2,0,1]=4 399 B7R1.1 NCC1=CCCC1 1P01ACZ1 [0,1,0,0,0,0|2,0,1]=4 400 B7R1.1 NCc1c[nH]cc1 1P008B5V [0,1,0,0,0,0|1,0,0]=2 401 B7R1.1 NCc1c[nH]cn1 1P00FFS6 [0,1,0,0,0,0|2,0,0]=3 402 B7R1.1 NCc1c[nH]nc1 1P000EI2 [0,1,0,0,0,0|0,0,0]=1 403 B7R1.1 NCc1cc[nH]n1 1P00398P [0,1,0,0,0,0|2,0,0]=3 404 B7R1.1 NCc1ccc[nH]1 1P0033BP [0,1,0,0,0,0|3,0,0]=4 405 B7R1.1 NCc1ccc[nH]1 1P006SOC [0,1,0,0,0,0|3,0,0]=4 406 B7R1.1 NCc1ccco1 1P00IBDE [0,1,0,0,0,0|3,0,0]=4 407 B7R1.1 NCc1cccs1 1P002V4I [0,1,0,0,0,0|3,0,0]=4 408 B7R1.1 NCc1ccn[nH]1 1P008UV1 [0,1,0,0,0,0|2,0,0]=3 409 B7R1.1 NCc1ccno1 1P0037YF [0,1,0,0,0,0|2,0,0]=3 410 B7R1.1 NCc1ccno1 1P007323 [0,1,0,0,0,0|2,0,0]=3 411 B7R1.1 NCc1ccns1 1P01B6TZ [0,1,0,0,0,0|2,0,0]=3 412 B7R1.1 NCc1ccns1 1P01B6V6 [0,1,0,0,0,0|2,0,0]=3 413 B7R1.1 NCc1ccon1 1P00811U [0,1,0,0,0,0|3,0,0]=4 414 B7R1.1 NCc1ccon1 1P009337 [0,1,0,0,0,0|3,0,0]=4 415 B7R1.1 NCc1ccsn1 1P0076B9 [0,1,0,0,0,0|3,0,0]=4 416 B7R1.1 NCc1cnco1 1P000PTG [0,1,0,0,0,0|2,0,0]=3 417 B7R1.1 NCc1cncs1 1P001WDD [0,1,0,0,0,0|2,0,0]=3 418 B7R1.1 NCc1cncs1 1P00811W [0,1,0,0,0,0|2,0,0]=3 419 B7R1.1 NCc1cnn[nH]1 1P0003MG [0,1,0,0,0,0|1,0,1]=3 420 B7R1.1 NCc1cnn[nH]1 1P007Q84 [0,1,0,0,0,0|1,0,1]=3 421 B7R1.1 NCc1cnns1 1P028N1M [0,1,0,0,0,0|1,0,1]=3 422 B7R1.1 NCc1cnns1 1P028QZG [0,1,0,0,0,0|1,0,1]=3 423 B7R1.1 NCc1cnon1 1P01EIHR [0,1,0,0,0,0|2,0,0]=3 424 B7R1.1 NCc1cnsn1 1P01BB8F [0,1,0,0,0,0|2,0,0]=3 425 B7R1.1 NCc1cocc1 1P0038AA [0,1,0,0,0,0|2,0,0]=3 426 B7R1.1 NCc1cocc1 1P009BQA [0,1,0,0,0,0|2,0,0]=3 427 B7R1.1 NCc1cocn1 1P0039FL [0,1,0,0,0,0|3,0,0]=4 428 B7R1.1 NCc1cocn1 1P00DG0B [0,1,0,0,0,0|3,0,0]=4 429 B7R1.1 NCc1conc1 1P001ZPV [0,1,0,0,0,0|1,0,0]=2 430 B7R1.1 NCc1cscc1 1P000GRT [0,1,0,0,0,0|2,0,0]=3 431 B7R1.1 NCc1cscc1 1P002V4H [0,1,0,0,0,0|2,0,0]=3 432 B7R1.1 NCc1cscn1 1P000E2I [0,1,0,0,0,0|3,0,0]=4 433 B7R1.1 NCc1cscn1 1P001WF7 [0,1,0,0,0,0|3,0,0]=4 434 B7R1.1 NCc1csnc1 1P01FJYB [0,1,0,0,0,0|1,0,0]=2 435 B7R1.1 NCc1csnc1 1P01FJYC [0,1,0,0,0,0|1,0,0]=2 436 B7R1.1 NCc1csnn1 1P00VVY0 [0,1,0,0,0,0|2,0,0]=3 437 B7R1.1 NCc1nc[nH]c1 1P0038XO [0,1,0,0,0,0|2,0,0]=3 438 B7R1.1 NCc1ncn[nH]1 1P000PYO [0,1,0,0,0,0|3,0,0]=4 439 B7R1.1 NCc1ncn[nH]1 1P00EAG9 [0,1,0,0,0,0|3,0,0]=4 440 B7R1.1 NCc1ncn[nH]1 1P00H3I1 [0,1,0,0,0,0|3,0,0]=4 441 B7R1.1 NCc1ncno1 1P01FJYD [0,1,0,0,0,0|3,0,0]=4 442 B7R1.1 NCc1ncsc1 1P00J1AF [0,1,0,0,0,0|3,0,0]=4 443 B7R1.1 NCc1nn[nH]c1 1P027PDD [0,1,0,0,0,0|1,0,0]=2 444 B7R1.1 NCc1nnco1 1P001950 [0,1,0,0,0,0|3,0,0]=4 445 B7R1.1 NCc1nnn[nH]1 1P003MNC [0,1,0,0,0,0|2,0,1]=4 446 B7R1.1 NCc1nnn[nH]1 1P003NFG [0,1,0,0,0,0|2,0,1]=4 447 B7R1.1 NCc1ocnc1 1P009I2F [0,1,0,0,0,0|2,0,0]=3 448 B7R1.1 NCc1scnc1 1P0015PG [0,1,0,0,0,0|2,0,0]=3 449 B7R1.1 NCc1scnn1 1P01BSDS [0,1,0,0,0,0|3,0,0]=4 450 B7R1.1 O=Cc1c[nH]cc1 1P00360O [0,1,0,0,0,0|1,0,1]=3 451 B7R1.1 O=Cc1c[nH]nc1 1P000Q03 [0,1,0,0,0,0|0,0,1]=2 452 B7R1.1 O=Cc1c[nH]nc1 1P0036BF [0,1,0,0,0,0|0,0,1]=2 453 B7R1.1 O=Cc1c[nH]nn1 1P007WZ9 [0,1,0,0,0,0|1,0,1]=3 454 B7R1.1 O=Cc1cc[nH]n1 1P0037YS [0,1,0,0,0,0|2,0,1]=4 455 B7R1.1 O=Cc1ccn[nH]1 1P003EVE [0,1,0,0,0,0|2,0,1]=4 456 B7R1.1 O=Cc1ccno1 1P00ABVW [0,1,0,0,0,0|2,0,1]=4 457 B7R1.1 O=Cc1ccns1 1P00395A [0,1,0,0,0,0|2,0,1]=4 458 B7R1.1 O=Cc1cnc[nH]1 1P00309Z [0,1,0,0,0,0|2,0,1]=4 459 B7R1.1 O=Cc1cnco1 1P007RNX [0,1,0,0,0,0|2,0,1]=4 460 B7R1.1 O=Cc1cncs1 1P0001Y5 [0,1,0,0,0,0|2,0,1]=4 461 B7R1.1 O=Cc1cnns1 1P01SU11 [0,1,0,0,0,0|1,0,2]=4 462 B7R1.1 O=Cc1cnon1 1P01C3RF [0,1,0,0,0,0|2,0,1]=4 463 B7R1.1 O=Cc1cnsn1 1P005N99 [0,1,0,0,0,0|2,0,1]=4 464 B7R1.1 O=Cc1cocc1 1P003JYV [0,1,0,0,0,0|2,0,1]=4 465 B7R1.1 O=Cc1conc1 1P00EAG3 [0,1,0,0,0,0|1,0,1]=3 466 B7R1.1 O=Cc1cscc1 1P00348X [0,1,0,0,0,0|2,0,1]=4 467 B7R1.1 O=Cc1csnc1 1P005H6H [0,1,0,0,0,0|1,0,1]=3 468 B7R1.1 O=Cc1csnn1 1P002URS [0,1,0,0,0,0|2,0,1]=4 469 B7R1.1 O=Cc1n[nH]nn1 1P019E2O [0,1,0,0,0,0|2,0,1]=4 470 B7R1.1 OCC1=CCCC1 1P00842I [0,1,0,0,0,0|2,0,1]=4 471 B7R1.1 OC[C-]1C=CC=C1 1P000XDA [0,1,0,0,0,0|2,0,1]=4 472 B7R1.1 OC[C-]1C=CC=C1 1P000ZBP [0,1,0,0,0,0|2,0,1]=4 473 B7R1.1 OCc1c[nH]cc1 1P00FVQG [0,1,0,0,0,0|1,0,0]=2 474 B7R1.1 OCc1c[nH]cn1 1P0038JP [0,1,0,0,0,0|2,0,0]=3 475 B7R1.1 OCc1c[nH]cn1 1P0056GC [0,1,0,0,0,0|2,0,0]=3 476 B7R1.1 OCc1c[nH]nc1 1P002RF9 [0,1,0,0,0,0|0,0,0]=1 477 B7R1.1 OCc1c[nH]nn1 1P00564K [0,1,0,0,0,0|1,0,0]=2 478 B7R1.1 OCc1c[nH]nn1 1P01BACC [0,1,0,0,0,0|1,0,0]=2 479 B7R1.1 OCc1cc[nH]n1 1P002O87 [0,1,0,0,0,0|2,0,0]=3 480 B7R1.1 OCc1ccco1 1P003R60 [0,1,0,0,0,0|3,0,0]=4 481 B7R1.1 OCc1cccs1 1P003BQJ [0,1,0,0,0,0|3,0,0]=4 482 B7R1.1 OCc1ccno1 1P006AUF [0,1,0,0,0,0|2,0,0]=3 483 B7R1.1 OCc1ccns1 1P00ACUC [0,1,0,0,0,0|2,0,0]=3 484 B7R1.1 OCc1ccon1 1P0036QI [0,1,0,0,0,0|3,0,0]=4 485 B7R1.1 OCc1ccsn1 1P01V5TO [0,1,0,0,0,0|3,0,0]=4 486 B7R1.1 OCc1cnco1 1P000X8T [0,1,0,0,0,0|2,0,0]=3 487 B7R1.1 OCc1cncs1 1P0034R1 [0,1,0,0,0,0|2,0,0]=3 488 B7R1.1 OCc1cnns1 1P008RO7 [0,1,0,0,0,0|1,0,1]=3 489 B7R1.1 OCc1cnon1 1P019T2P [0,1,0,0,0,0|2,0,0]=3 490 B7R1.1 OCc1cnsn1 1P01BCP3 [0,1,0,0,0,0|2,0,0]=3 491 B7R1.1 OCc1cocc1 1P0072QO [0,1,0,0,0,0|2,0,0]=3 492 B7R1.1 OCc1cocn1 1P001ON1 [0,1,0,0,0,0|3,0,0]=4 493 B7R1.1 OCc1conc1 1P0038JR [0,1,0,0,0,0|1,0,0]=2 494 B7R1.1 OCc1cscc1 1P003KDJ [0,1,0,0,0,0|2,0,0]=3 495 B7R1.1 OCc1cscn1 1P003AEU [0,1,0,0,0,0|3,0,0]=4 496 B7R1.1 OCc1csnc1 1P00BAEG [0,1,0,0,0,0|1,0,0]=2 497 B7R1.1 OCc1csnn1 1P00DDO2 [0,1,0,0,0,0|2,0,0]=3 498 B7R1.1 OCc1n[nH]nn1 1P00G948 [0,1,0,0,0,0|2,0,0]=3 499 B7R1.1 OCc1ncn[nH]1 1P000KXU [0,1,0,0,0,0|3,0,0]=4 500 B7R1.1 OCc1ncn[nH]1 1P000POT [0,1,0,0,0,0|3,0,0]=4 501 B7R1.1 OCc1ncno1 1P01DTPJ [0,1,0,0,0,0|3,0,0]=4 502 B7R1.1 OCc1nncs1 1P00E8XG [0,1,0,0,0,0|3,0,0]=4 503 B7R1.1 OCn1cncn1 1P008R9D [0,1,0,0,0,0|3,0,0]=4 504 B7R1.1 SCC1=CCCC1 1P0283Z5 [0,1,0,0,0,0|2,0,1]=4 505 B7R1.1 SCc1ccc[nH]1 1P01DX9D [0,1,0,0,0,0|3,0,0]=4 506 B7R1.1 SCc1ccco1 1P003R61 [0,1,0,0,0,0|3,0,0]=4 507 B7R1.1 SCc1cccs1 1P003IEO [0,1,0,0,0,0|3,0,0]=4 508 B7R1.1 SCc1ccno1 1P020M66 [0,1,0,0,0,0|2,0,0]=3 509 B7R1.1 SCc1ccon1 1P020M64 [0,1,0,0,0,0|3,0,0]=4 510 B7R1.1 SCc1cncs1 1P028027 [0,1,0,0,0,0|2,0,0]=3 511 B7R1.1 SCc1cocc1 1P01Q6AT [0,1,0,0,0,0|2,0,0]=3 512 B7R1.1 SCc1cocn1 1P028V8N [0,1,0,0,0,0|3,0,0]=4 513 B7R1.1 SCc1conc1 1P028BD5 [0,1,0,0,0,0|1,0,0]=2 514 B7R1.1 SCc1cscc1 1P001V2D [0,1,0,0,0,0|2,0,0]=3 515 B7R1.1 SCc1cscn1 1P007YQ1 [0,1,0,0,0,0|3,0,0]=4 516 B7R1.1 c1c(nc[nH]1)C#N 1P003823 [0,1,0,0,0,0|2,0,1]=4 517 B7R1.1 c1c(nn[nH]1)C#N 1P00AO5C [0,1,0,0,0,0|1,0,1]=3 518 B7R1.1 c1c[nH]nc1C#N 1P0037RS [0,1,0,0,0,0|2,0,1]=4 519 B7R1.1 c1cnoc1C#N 1P00FFST [0,1,0,0,0,0|2,0,1]=4 520 B7R1.1 c1ncoc1C#N 1P00FEG2 [0,1,0,0,0,0|2,0,1]=4 521 B7R1.1 c1ncsc1C#N 1P007MOG [0,1,0,0,0,0|2,0,1]=4 522 B7R1.2 Brc1[nH][nH]c(=N)c1 1P00IJ6L [0,1,0,0,0,0|3,0,0]=4 523 B7R1.2 Brc1[nH]nc(c1)Br 1P00ILLJ [0,1,0,0,0,0|3,0,0]=4 524 B7R1.2 Brc1cnc([nH]1)C 1P001TQX [0,1,0,0,0,0|3,0,0]=4 525 B7R1.2 Brc1cnc([nH]1)I 1P0240J1 [0,1,0,0,0,0|3,0,0]=4 526 B7R1.2 Brc1cnc(o1)C 1P01AD3O [0,1,0,0,0,0|3,0,0]=4 527 B7R1.2 Brc1cnc(s1)C 1P003MYG [0,1,0,0,0,0|3,0,0]=4 528 B7R1.2 Brc1cnc(s1)Cl 1P00309U [0,1,0,0,0,0|3,0,0]=4 529 B7R1.2 Brc1cnc(s1)I 1P0094WD [0,1,0,0,0,0|3,0,0]=4 530 B7R1.2 Brc1cnc(s1)N 1P000PRN [0,1,0,0,0,0|3,0,0]=4 531 B7R1.2 Brc1cnc(s1)N 1P007NH8 [0,1,0,0,0,0|3,0,0]=4 532 B7R1.2 Brc1cnc(s1)N 1P00IBAQ [0,1,0,0,0,0|3,0,0]=4 533 B7R1.2 Brc1csc(c1)C 1P002YT6 [0,1,0,0,0,0|3,0,0]=4 534 B7R1.2 Brc1csc(c1)Cl 1P0037TQ [0,1,0,0,0,0|3,0,0]=4 535 B7R1.2 Brc1csc(c1)I 1P00ICX3 [0,1,0,0,0,0|3,0,0]=4 536 B7R1.2 Brc1n[nH]c(c1)C 1P00EISV [0,1,0,0,0,0|2,0,0]=3 537 B7R1.2 Brc1n[nH]c(c1)Cl 1P01CAM0 [0,1,0,0,0,0|3,0,0]=4 538 B7R1.2 Brc1n[nH]c(c1)N 1P003A9H [0,1,0,0,0,0|3,0,0]=4 539 B7R1.2 Brc1ncc([nH]1)Br 1P00390Z [0,1,0,0,0,0|3,0,0]=4 540 B7R1.2 Brc1ncc(s1)Br 1P00BYXF [0,1,0,0,0,0|3,0,0]=4 541 B7R1.2 Brc1noc(c1)C 1P003871 [0,1,0,0,0,0|2,0,0]=3 542 B7R1.2 Brc1noc(n1)C 1P009ED9 [0,1,0,0,0,0|3,0,0]=4 543 B7R1.2 Brc1nsc(n1)C 1P01BYEV [0,1,0,0,0,0|3,0,0]=4 544 B7R1.2 Brc1scc(c1)Br 1P0033FJ [0,1,0,0,0,0|3,0,0]=4 545 B7R1.2 CC1=CC(=O)CC1 1P002ULZ [0,1,0,0,0,0|2,0,1]=4 546 B7R1.2 CC1=CC(=O)N=N1 1P01HFI0 [0,1,0,0,0,0|2,0,0]=3 547 B7R1.2 CC1=CC(=O)OC1 1P003M8M [0,1,0,0,0,0|2,0,1]=4 548 B7R1.2 CC1=CCC(=O)O1 1P001512 [0,1,0,0,0,0|3,0,0]=4 549 B7R1.2 CC1=NN=C(C1)C 1P019FB2 [0,1,0,0,0,0|2,0,1]=4 550 B7R1.2 CC1=NN=C(C1)N 1P0008X3 [0,1,0,0,0,0|2,0,1]=4 551 B7R1.2 CN1N=CC(=C1)S 1P01FWVE [0,1,0,0,0,0|1,0,0]=2 552 B7R1.2 C[n+]1cn(cn1)N 1P0078O2 [0,1,0,0,0,0|2,0,1]=4 553 B7R1.2 Cc1[nH][nH]c(=O)c1 1P0011IO [0,1,0,0,0,0|2,0,0]=3 554 B7R1.2 Cc1[nH][nH]c(=S)n1 1P005FZ2 [0,1,0,0,0,0|3,0,0]=4 555 B7R1.2 Cc1[nH]cc(c1)C 1P0036EO [0,1,0,0,0,0|1,0,0]=2 556 B7R1.2 Cc1[nH]cc(n1)C 1P0033GF [0,1,0,0,0,0|2,0,0]=3 557 B7R1.2 Cc1[nH]nc(c1)C 1P00340B [0,1,0,0,0,0|2,0,0]=3 558 B7R1.2 Cc1c[nH]c(=O)[nH]1 1P000ITB [0,1,0,0,0,0|2,0,0]=3 559 B7R1.2 Cc1c[nH]c(=O)s1 1P005LJG [0,1,0,0,0,0|2,0,0]=3 560 B7R1.2 Cc1c[nH]c(n1)Br 1P028WVE [0,1,0,0,0,0|2,0,0]=3 561 B7R1.2 Cc1c[nH]c(n1)I 1P00FDDF [0,1,0,0,0,0|2,0,0]=3 562 B7R1.2 Cc1c[nH]c(n1)N 1P00FB1G [0,1,0,0,0,0|2,0,0]=3 563 B7R1.2 Cc1c[nH]c(n1)S 1P007G57 [0,1,0,0,0,0|2,0,0]=3 564 B7R1.2 Cc1cc(=O)[nH]o1 1P00013U [0,1,0,0,0,0|2,0,0]=3 565 B7R1.2 Cc1ccc([nH]1)C 1P0033H9 [0,1,0,0,0,0|3,0,0]=4 566 B7R1.2 Cc1ccc(o1)Br 1P000LMO [0,1,0,0,0,0|3,0,0]=4 567 B7R1.2 Cc1ccc(o1)C 1P00IBHV [0,1,0,0,0,0|3,0,0]=4 568 B7R1.2 Cc1ccc(s1)Br 1P003H6V [0,1,0,0,0,0|3,0,0]=4 569 B7R1.2 Cc1ccc(s1)C 1P0037FV [0,1,0,0,0,0|3,0,0]=4 570 B7R1.2 Cc1ccc(s1)Cl 1P003BNY [0,1,0,0,0,0|3,0,0]=4 571 B7R1.2 Cc1ccc(s1)I 1P001VNL [0,1,0,0,0,0|3,0,0]=4 572 B7R1.2 Cc1ccc(s1)O 1P01DWX2 [0,1,0,0,0,0|3,0,0]=4 573 B7R1.2 Cc1ccc(s1)S 1P00D0KV [0,1,0,0,0,0|3,0,0]=4 574 B7R1.2 Cc1ccn(c1)C 1P01BKQP [0,1,0,0,0,0|1,0,0]=2 575 B7R1.2 Cc1ccn(c1)N 1P024RJW [0,1,0,0,0,0|1,0,0]=2 576 B7R1.2 Cc1ccn(n1)C 1P00332M [0,1,0,0,0,0|2,0,0]=3 577 B7R1.2 Cc1cnc([nH]1)Br 1P002NCF [0,1,0,0,0,0|2,0,0]=3 578 B7R1.2 Cc1cnc([nH]1)Cl 1P01ZYD1 [0,1,0,0,0,0|2,0,0]=3 579 B7R1.2 Cc1cnc([nH]1)N 1P008U4V [0,1,0,0,0,0|2,0,0]=3 580 B7R1.2 Cc1cnc(o1)Br 1P009D83 [0,1,0,0,0,0|2,0,0]=3 581 B7R1.2 Cc1cnc(o1)Cl 1P01EIR2 [0,1,0,0,0,0|2,0,0]=3 582 B7R1.2 Cc1cnc(o1)I 1P027TXE [0,1,0,0,0,0|2,0,0]=3 583 B7R1.2 Cc1cnc(o1)N 1P003846 [0,1,0,0,0,0|2,0,0]=3 584 B7R1.2 Cc1cnc(s1)Br 1P0033ML [0,1,0,0,0,0|2,0,0]=3 585 B7R1.2 Cc1cnc(s1)Cl 1P00I6ZQ [0,1,0,0,0,0|2,0,0]=3 586 B7R1.2 Cc1cnc(s1)F 1P003AHM [0,1,0,0,0,0|2,0,0]=3 587 B7R1.2 Cc1cnc(s1)I 1P00G9TC [0,1,0,0,0,0|2,0,0]=3 588 B7R1.2 Cc1cnc(s1)N 1P003GY4 [0,1,0,0,0,0|2,0,0]=3 589 B7R1.2 Cc1cnc(s1)N 1P01D9HV [0,1,0,0,0,0|2,0,0]=3 590 B7R1.2 Cc1cnn(c1)C 1P003E5J [0,1,0,0,0,0|0,0,0]=1 591 B7R1.2 Cc1coc(=S)[nH]1 1P000UJM [0,1,0,0,0,0|3,0,0]=4 592 B7R1.2 Cc1coc(n1)Br 1P0090WY [0,1,0,0,0,0|3,0,0]=4 593 B7R1.2 Cc1coc(n1)Br 1P01B9KK [0,1,0,0,0,0|3,0,0]=4 594 B7R1.2 Cc1coc(n1)Cl 1P027ZTX [0,1,0,0,0,0|3,0,0]=4 595 B7R1.2 Cc1coc(n1)I 1P01DW1G [0,1,0,0,0,0|3,0,0]=4 596 B7R1.2 Cc1coc(n1)N 1P00I7J9 [0,1,0,0,0,0|3,0,0]=4 597 B7R1.2 Cc1csc(=O)[nH]1 1P00CLWY [0,1,0,0,0,0|3,0,0]=4 598 B7R1.2 Cc1csc(=S)[nH]1 1P003M9I [0,1,0,0,0,0|3,0,0]=4 599 B7R1.2 Cc1csc(c1)Br 1P00DIEK [0,1,0,0,0,0|2,0,0]=3 600 B7R1.2 Cc1csc(c1)N 1P001FKH [0,1,0,0,0,0|2,0,0]=3 601 B7R1.2 Cc1csc(c1)N 1P00H1HI [0,1,0,0,0,0|2,0,0]=3 602 B7R1.2 Cc1csc(c1)S 1P01BJTY [0,1,0,0,0,0|2,0,0]=3 603 B7R1.2 Cc1csc(n1)Br 1P005IFO [0,1,0,0,0,0|3,0,0]=4 604 B7R1.2 Cc1csc(n1)Cl 1P00387L [0,1,0,0,0,0|3,0,0]=4 605 B7R1.2 Cc1csc(n1)I 1P00CLZN [0,1,0,0,0,0|3,0,0]=4 606 B7R1.2 Cc1csc(n1)N 1P001SAV [0,1,0,0,0,0|3,0,0]=4 607 B7R1.2 Cc1csc(n1)N 1P003GWA [0,1,0,0,0,0|3,0,0]=4 608 B7R1.2 Cc1csc(n1)S 1P00EKE6 [0,1,0,0,0,0|3,0,0]=4 609 B7R1.2 Cc1n[nH]c(=O)o1 1P00385H [0,1,0,0,0,0|3,0,0]=4 610 B7R1.2 Cc1n[nH]c(=O)s1 1P008IX1 [0,1,0,0,0,0|3,0,0]=4 611 B7R1.2 Cc1n[nH]c(c1)Br 1P00EISX [0,1,0,0,0,0|2,0,0]=3 612 B7R1.2 Cc1n[nH]c(c1)N 1P00I5JL [0,1,0,0,0,0|2,0,0]=3 613 B7R1.2 Cc1n[nH]c(c1)O 1P0011IB [0,1,0,0,0,0|2,0,0]=3 614 B7R1.2 Cc1n[nH]c(n1)Br 1P002U5W [0,1,0,0,0,0|3,0,0]=4 615 B7R1.2 Cc1n[nH]c(n1)N 1P002NE8 [0,1,0,0,0,0|3,0,0]=4 616 B7R1.2 Cc1n[nH]c(n1)N 1P00J7SY [0,1,0,0,0,0|3,0,0]=4 617 B7R1.2 Cc1ncc(o1)C 1P002MBO [0,1,0,0,0,0|2,0,0]=3 618 B7R1.2 Cc1ncc(s1)C 1P0038D4 [0,1,0,0,0,0|2,0,0]=3 619 B7R1.2 Cc1nnc([nH]1)C 1P003J51 [0,1,0,0,0,0|3,0,0]=4 620 B7R1.2 Cc1nnc([nH]1)N 1P0039N2 [0,1,0,0,0,0|3,0,0]=4 621 B7R1.2 Cc1nnc([nH]1)O 1P00IHWV [0,1,0,0,0,0|3,0,0]=4 622 B7R1.2 Cc1nnc(o1)Br 1P004R6D [0,1,0,0,0,0|3,0,0]=4 623 B7R1.2 Cc1nnc(o1)C 1P000WQP [0,1,0,0,0,0|3,0,0]=4 624 B7R1.2 Cc1nnc(o1)Cl 1P01B86E [0,1,0,0,0,0|3,0,0]=4 625 B7R1.2 Cc1nnc(o1)I 1P01BI7M [0,1,0,0,0,0|3,0,0]=4 626 B7R1.2 Cc1nnc(o1)N 1P00D9EM [0,1,0,0,0,0|3,0,0]=4 627 B7R1.2 Cc1nnc(o1)S 1P00BXBM [0,1,0,0,0,0|3,0,0]=4 628 B7R1.2 Cc1nnc(s1)Br 1P00D9DA [0,1,0,0,0,0|3,0,0]=4 629 B7R1.2 Cc1nnc(s1)C 1P003GFU [0,1,0,0,0,0|3,0,0]=4 630 B7R1.2 Cc1nnc(s1)Cl 1P00E45W [0,1,0,0,0,0|3,0,0]=4 631 B7R1.2 Cc1nnc(s1)N 1P00845C [0,1,0,0,0,0|3,0,0]=4 632 B7R1.2 Cc1nnc(s1)S 1P00I5X9 [0,1,0,0,0,0|3,0,0]=4 633 B7R1.2 Cc1nnn(c1)C 1P00ELFO [0,1,0,0,0,0|1,0,0]=2 634 B7R1.2 Cc1nnn(n1)C 1P00CVEZ [0,1,0,0,0,0|2,0,0]=3 635 B7R1.2 Cc1noc(c1)Br 1P000T5G [0,1,0,0,0,0|3,0,0]=4 636 B7R1.2 Cc1noc(c1)Cl 1P01A225 [0,1,0,0,0,0|3,0,0]=4 637 B7R1.2 Cc1noc(c1)I 1P000RWK [0,1,0,0,0,0|3,0,0]=4 638 B7R1.2 Cc1noc(c1)N 1P001ES3 [0,1,0,0,0,0|3,0,0]=4 639 B7R1.2 Cc1noc(c1)O 1P019SLV [0,1,0,0,0,0|3,0,0]=4 640 B7R1.2 Cc1nsc(c1)Br 1P002A8D [0,1,0,0,0,0|3,0,0]=4 641 B7R1.2 Cc1nsc(c1)Cl 1P00C1RP [0,1,0,0,0,0|3,0,0]=4 642 B7R1.2 Cc1nsc(c1)I 1P00BGK5 [0,1,0,0,0,0|3,0,0]=4 643 B7R1.2 Cc1nsc(c1)N 1P003A0Z [0,1,0,0,0,0|3,0,0]=4 644 B7R1.2 Cc1nsc(c1)N 1P006WQP [0,1,0,0,0,0|3,0,0]=4 645 B7R1.2 Cc1occ(c1)C 1P00CVZ8 [0,1,0,0,0,0|2,0,0]=3 646 B7R1.2 Cc1occ(n1)C 1P003GB6 [0,1,0,0,0,0|3,0,0]=4 647 B7R1.2 Cc1onc(c1)C 1P003J5N [0,1,0,0,0,0|2,0,0]=3 648 B7R1.2 Cc1scc(c1)C 1P00E9VH [0,1,0,0,0,0|2,0,0]=3 649 B7R1.2 Cc1scc(n1)C 1P0037JU [0,1,0,0,0,0|3,0,0]=4 650 B7R1.2 Clc1c[nH]c(=N)s1 1P00C111 [0,1,0,0,0,0|3,0,0]=4 651 B7R1.2 Clc1c[nH]c(=O)s1 1P024GK3 [0,1,0,0,0,0|3,0,0]=4 652 B7R1.2 Clc1cc(=O)[nH]s1 1P00387B [0,1,0,0,0,0|3,0,0]=4 653 B7R1.2 Clc1cnc(s1)Br 1P00AMFV [0,1,0,0,0,0|3,0,0]=4 654 B7R1.2 Clc1cnc(s1)C 1P01BBPJ [0,1,0,0,0,0|3,0,0]=4 655 B7R1.2 Clc1cnc(s1)F 1P0291R4 [0,1,0,0,0,0|3,0,0]=4 656 B7R1.2 Clc1cnc(s1)N 1P003GXI [0,1,0,0,0,0|3,0,0]=4 657 B7R1.2 Clc1csc(c1)Br 1P00I6LU [0,1,0,0,0,0|3,0,0]=4 658 B7R1.2 Clc1csc(c1)I 1P028AXN [0,1,0,0,0,0|3,0,0]=4 659 B7R1.2 Clc1n[nH]c(c1)C 1P001RM2 [0,1,0,0,0,0|2,0,0]=3 660 B7R1.2 Clc1n[nH]c(n1)C 1P00ACNK [0,1,0,0,0,0|3,0,0]=4 661 B7R1.2 Clc1n[nH]c(n1)C 1P01A7EB [0,1,0,0,0,0|3,0,0]=4 662 B7R1.2 Clc1ncc([nH]1)Cl 1P0293E4 [0,1,0,0,0,0|3,0,0]=4 663 B7R1.2 Clc1ncc(s1)Cl 1P00ANA1 [0,1,0,0,0,0|3,0,0]=4 664 B7R1.2 Clc1noc(n1)C 1P00HUVW [0,1,0,0,0,0|3,0,0]=4 665 B7R1.2 Clc1scc(c1)Cl 1P027EOK [0,1,0,0,0,0|3,0,0]=4 666 B7R1.2 Cn1cc(cn1)Br 1P001QEF [0,1,0,0,0,0|1,0,0]=2 667 B7R1.2 Cn1cc(cn1)Cl 1P003LIS [0,1,0,0,0,0|1,0,0]=2 668 B7R1.2 Cn1cc(cn1)F 1P01JWK7 [0,1,0,0,0,0|1,0,0]=2 669 B7R1.2 Cn1cc(cn1)I 1P003M0U [0,1,0,0,0,0|1,0,0]=2 670 B7R1.2 Cn1cc(cn1)N 1P000X5K [0,1,0,0,0,0|1,0,0]=2 671 B7R1.2 Cn1cc(cn1)N 1P003L4D [0,1,0,0,0,0|1,0,0]=2 672 B7R1.2 Cn1cc(cn1)O 1P003AKQ [0,1,0,0,0,0|1,0,0]=2 673 B7R1.2 Cn1cc(cn1)O 1P01AFQM [0,1,0,0,0,0|1,0,0]=2 674 B7R1.2 Cn1cc(nc1)Br 1P003LBQ [0,1,0,0,0,0|2,0,0]=3 675 B7R1.2 Cn1cc(nc1)I 1P0034JD [0,1,0,0,0,0|2,0,0]=3 676 B7R1.2 Cn1cc(nc1)N 1P0036FQ [0,1,0,0,0,0|2,0,0]=3 677 B7R1.2 Cn1cc[n+](c1)C 1P00332K [0,1,0,0,0,0|2,0,0]=3 678 B7R1.2 Cn1cc[n+](c1)C 1P00332L [0,1,0,0,0,0|2,0,0]=3 679 B7R1.2 Cn1cc[n+](c1)C 1P00DC0X [0,1,0,0,0,0|2,0,0]=3 680 B7R1.2 Cn1cc[n+](c1)C 1P00IKEA [0,1,0,0,0,0|2,0,0]=3 681 B7R1.2 Cn1ccc(=O)[nH]1 1P00DIE4 [0,1,0,0,0,0|3,0,0]=4 682 B7R1.2 Cn1ccc(c1)N 1P000JBD [0,1,0,0,0,0|2,0,0]=3 683 B7R1.2 Cn1ccc(n1)Br 1P001NIN [0,1,0,0,0,0|3,0,0]=4 684 B7R1.2 Cn1ccc(n1)Cl 1P00EE7Y [0,1,0,0,0,0|3,0,0]=4 685 B7R1.2 Cn1ccc(n1)F 1P0276L4 [0,1,0,0,0,0|3,0,0]=4 686 B7R1.2 Cn1ccc(n1)I 1P00377H [0,1,0,0,0,0|3,0,0]=4 687 B7R1.2 Cn1ccc(n1)N 1P002F0L [0,1,0,0,0,0|3,0,0]=4 688 B7R1.2 Cn1cn[n+](c1)C 1P003E5E [0,1,0,0,0,0|1,0,1]=3 689 B7R1.2 Cn1cnc(=O)[nH]1 1P01B1NL [0,1,0,0,0,0|3,0,0]=4 690 B7R1.2 Cn1cnc(c1)C 1P00EDBF [0,1,0,0,0,0|2,0,0]=3 691 B7R1.2 Cn1cnc(n1)Br 1P003JGA [0,1,0,0,0,0|3,0,0]=4 692 B7R1.2 Cn1cnc(n1)C 1P028078 [0,1,0,0,0,0|3,0,0]=4 693 B7R1.2 Cn1cnc(n1)Cl 1P00F0NC [0,1,0,0,0,0|3,0,0]=4 694 B7R1.2 Cn1cnc(n1)I 1P01B86Y [0,1,0,0,0,0|3,0,0]=4 695 B7R1.2 Cn1cnc(n1)N 1P00DD98 [0,1,0,0,0,0|3,0,0]=4 696 B7R1.2 Cn1cnc(n1)N 1P00J1G0 [0,1,0,0,0,0|3,0,0]=4 697 B7R1.2 Cn1nc(cn1)Br 1P00AMGX [0,1,0,0,0,0|2,0,0]=3 698 B7R1.2 Cn1nc(cn1)I 1P028JMJ [0,1,0,0,0,0|2,0,0]=3 699 B7R1.2 Cn1nc(cn1)N 1P00GWBG [0,1,0,0,0,0|2,0,0]=3 700 B7R1.2 Cn1nc(cn1)N 1P00J1MZ [0,1,0,0,0,0|2,0,0]=3 701 B7R1.2 Cn1nnc(c1)Br 1P0011J6 [0,1,0,0,0,0|2,0,0]=3 702 B7R1.2 Cn1nnc(c1)I 1P027RXD [0,1,0,0,0,0|2,0,0]=3 703 B7R1.2 Cn1nnc(c1)N 1P0060JQ [0,1,0,0,0,0|2,0,0]=3 704 B7R1.2 Cn1nnc(c1)N 1P00GYH3 [0,1,0,0,0,0|2,0,0]=3 705 B7R1.2 Cn1nnc(n1)Br 1P00ACL6 [0,1,0,0,0,0|3,0,0]=4 706 B7R1.2 Cn1nnc(n1)N 1P0039OV [0,1,0,0,0,0|3,0,0]=4 707 B7R1.2 Cn1nnc(n1)O 1P028TBA [0,1,0,0,0,0|3,0,0]=4 708 B7R1.2 Cn1nnc(n1)S 1P003I2E [0,1,0,0,0,0|3,0,0]=4 709 B7R1.2 Fc1cnc(s1)Br 1P0095WU [0,1,0,0,0,0|3,0,0]=4 710 B7R1.2 Fc1cnc(s1)N 1P005K4Z [0,1,0,0,0,0|3,0,0]=4 711 B7R1.2 Fc1cnc(s1)N 1P006TUC [0,1,0,0,0,0|3,0,0]=4 712 B7R1.2 Fc1csc(c1)Br 1P00CA59 [0,1,0,0,0,0|3,0,0]=4 713 B7R1.2 Ic1cnc([nH]1)C 1P0036ZU [0,1,0,0,0,0|3,0,0]=4 714 B7R1.2 Ic1cnc(o1)C 1P027ZEI [0,1,0,0,0,0|3,0,0]=4 715 B7R1.2 Ic1cnc(s1)Br 1P007VCH [0,1,0,0,0,0|3,0,0]=4 716 B7R1.2 Ic1cnc(s1)C 1P01BK7H [0,1,0,0,0,0|3,0,0]=4 717 B7R1.2 Ic1cnc(s1)Cl 1P020LTQ [0,1,0,0,0,0|3,0,0]=4 718 B7R1.2 Ic1csc(c1)C 1P001VNM [0,1,0,0,0,0|3,0,0]=4 719 B7R1.2 Ic1csc(c1)Cl 1P00NK34 [0,1,0,0,0,0|3,0,0]=4 720 B7R1.2 Ic1n[nH]c(c1)C 1P006I46 [0,1,0,0,0,0|2,0,0]=3 721 B7R1.2 Ic1ncc([nH]1)I 1P002G12 [0,1,0,0,0,0|3,0,0]=4 722 B7R1.2 Nc1[nH][nH]c(=O)c1 1P002VZO [0,1,0,0,0,0|3,0,0]=4 723 B7R1.2 Nc1[nH]nc(c1)N 1P001VV5 [0,1,0,0,0,0|3,0,0]=4 724 B7R1.2 Nc1cc(=O)[nH]o1 1P005GYW [0,1,0,0,0,0|3,0,0]=4 725 B7R1.2 Nc1cnc(s1)C 1P00417S [0,1,0,0,0,0|3,0,0]=4 726 B7R1.2 Nc1cnn(c1)C 1P003EXV [0,1,0,0,0,0|1,0,0]=2 727 B7R1.2 Nc1csc(c1)Br 1P01LOUQ [0,1,0,0,0,0|3,0,0]=4 728 B7R1.2 Nc1csc(c1)C 1P00BGJR [0,1,0,0,0,0|3,0,0]=4 729 B7R1.2 Nc1csc(c1)Cl 1P001DBG [0,1,0,0,0,0|3,0,0]=4 730 B7R1.2 Nc1n[nH]c(c1)C 1P00BCWR [0,1,0,0,0,0|2,0,0]=3 731 B7R1.2 Nc1n[nH]c(c1)Cl 1P00IH99 [0,1,0,0,0,0|3,0,0]=4 732 B7R1.2 Nc1n[nH]c(c1)F 1P000HKP [0,1,0,0,0,0|3,0,0]=4 733 B7R1.2 Nc1n[nH]c(c1)O 1P003418 [0,1,0,0,0,0|3,0,0]=4 734 B7R1.2 Nc1ncn(c1)C 1P0013KD [0,1,0,0,0,0|2,0,0]=3 735 B7R1.2 Nc1noc(c1)C 1P003JDC [0,1,0,0,0,0|2,0,0]=3 736 B7R1.2 Nc1noc(n1)C 1P00C63V [0,1,0,0,0,0|3,0,0]=4 737 B7R1.2 Nc1nsc(c1)C 1P01AMKD [0,1,0,0,0,0|2,0,0]=3 738 B7R1.2 Nc1nsc(n1)C 1P00C4CF [0,1,0,0,0,0|3,0,0]=4 739 B7R1.2 Nc1onc(c1)N 1P01A8LY [0,1,0,0,0,0|3,0,0]=4 740 B7R1.2 Nn1cc(cn1)Br 1P0017RI [0,1,0,0,0,0|1,0,0]=2 741 B7R1.2 O=C1CC=C(O1)C 1P0035K2 [0,1,0,0,0,0|3,0,0]=4 742 B7R1.2 O=C1COC(=C1)C 1P00CL5L [0,1,0,0,0,0|3,0,0]=4 743 B7R1.2 O=C1NN=C(C1)C 1P003K70 [0,1,0,0,0,0|2,0,1]=4 744 B7R1.2 OC1=CC(=O)NC1 1P00DCWO [0,1,0,0,0,0|2,0,1]=4 745 B7R1.2 Oc1c[nH]c(n1)C 1P0292BX [0,1,0,0,0,0|3,0,0]=4 746 B7R1.2 Oc1n[nH]c(c1)C 1P001L0T [0,1,0,0,0,0|2,0,0]=3 747 B7R1.2 Oc1n[nH]c(c1)N 1P01KKIY [0,1,0,0,0,0|3,0,0]=4 748 B7R1.2 On1cc(cn1)I 1P004HFY [0,1,0,0,0,0|1,0,0]=2 749 B7R1.2 Sc1csc(c1)C 1P01Q2WP [0,1,0,0,0,0|3,0,0]=4 750 B7R1.4 Brc1[nH]cnc1Br 1P002MDA [0,1,0,0,0,0|3,0,0]=4 751 B7R1.4 Brc1[nH]nnc1Br 1P0038JW [0,1,0,0,0,0|2,0,0]=3 752 B7R1.4 Brc1c[nH]nc1C 1P0018FJ [0,1,0,0,0,0|1,0,0]=2 753 B7R1.4 Brc1c[nH]nc1Cl 1P01DZQB [0,1,0,0,0,0|1,0,0]=2 754 B7R1.4 Brc1c[nH]nc1F 1P00HTVS [0,1,0,0,0,0|1,0,0]=2 755 B7R1.4 Brc1c[nH]nc1I 1P01FUBW [0,1,0,0,0,0|1,0,0]=2 756 B7R1.4 Brc1c[nH]nc1N 1P001VFL [0,1,0,0,0,0|1,0,0]=2 757 B7R1.4 Brc1ccoc1C 1P004W05 [0,1,0,0,0,0|3,0,0]=4 758 B7R1.4 Brc1ccoc1I 1P01BK7D [0,1,0,0,0,0|3,0,0]=4 759 B7R1.4 Brc1ccsc1C 1P00307X [0,1,0,0,0,0|3,0,0]=4 760 B7R1.4 Brc1ccsc1Cl 1P003JGW [0,1,0,0,0,0|3,0,0]=4 761 B7R1.4 Brc1ccsc1I 1P00EIUZ [0,1,0,0,0,0|3,0,0]=4 762 B7R1.4 Brc1cnoc1C 1P00FBVU [0,1,0,0,0,0|2,0,0]=3 763 B7R1.4 Brc1cnoc1N 1P028S8E [0,1,0,0,0,0|2,0,0]=3 764 B7R1.4 Brc1cnsc1C 1P01A0EI [0,1,0,0,0,0|2,0,0]=3 765 B7R1.4 Brc1cnsc1N 1P028LCE [0,1,0,0,0,0|2,0,0]=3 766 B7R1.4 Brc1cnsc1N 1P028TE8 [0,1,0,0,0,0|2,0,0]=3 767 B7R1.4 Brc1co[nH]c1=N 1P00AMGY [0,1,0,0,0,0|2,0,0]=3 768 B7R1.4 Brc1cocc1Br 1P003IWC [0,1,0,0,0,0|3,0,0]=4 769 B7R1.4 Brc1conc1C 1P008Z60 [0,1,0,0,0,0|2,0,0]=3 770 B7R1.4 Brc1conc1O 1P00CZMB [0,1,0,0,0,0|2,0,0]=3 771 B7R1.4 Brc1cscc1Br 1P0033YX [0,1,0,0,0,0|3,0,0]=4 772 B7R1.4 Brc1cscc1C 1P00307Z [0,1,0,0,0,0|2,0,0]=3 773 B7R1.4 Brc1cscc1Cl 1P00I7MM [0,1,0,0,0,0|3,0,0]=4 774 B7R1.4 Brc1cscc1N 1P00I28H [0,1,0,0,0,0|3,0,0]=4 775 B7R1.4 Brc1csnc1C 1P006JMD [0,1,0,0,0,0|2,0,0]=3 776 B7R1.4 Brc1csnc1N 1P0290IR [0,1,0,0,0,0|2,0,0]=3 777 B7R1.4 Brc1csnc1O 1P028ND6 [0,1,0,0,0,0|2,0,0]=3 778 B7R1.4 Brc1n[nH]cc1Br 1P00ELYM [0,1,0,0,0,0|1,0,0]=2 779 B7R1.4 Brc1n[nH]nc1Br 1P00BCY1 [0,1,0,0,0,0|2,0,0]=3 780 B7R1.4 Brc1ncoc1C 1P023P88 [0,1,0,0,0,0|2,0,0]=3 781 B7R1.4 Brc1ncsc1C 1P0010UV [0,1,0,0,0,0|2,0,0]=3 782 B7R1.4 Brc1nnsc1N 1P028EOP [0,1,0,0,0,0|2,0,1]=4 783 B7R1.4 Brc1nscc1Br 1P0287Y6 [0,1,0,0,0,0|2,0,0]=3 784 B7R1.4 Brc1sccc1Br 1P0033E9 [0,1,0,0,0,0|3,0,0]=4 785 B7R1.4 Brc1scnc1Br 1P005MHD [0,1,0,0,0,0|3,0,0]=4 786 B7R1.4 CC1=C(C)CCO1 1P001LLM [0,1,0,0,0,0|2,0,1]=4 787 B7R1.4 CC1=C(C)CNC1 1P025GHU [0,1,0,0,0,0|1,0,1]=3 788 B7R1.4 CC1C=NNC1=O 1P0014T0 [0,1,0,0,0,0|0,0,1]=2 789 B7R1.4 Cc1[nH]ccc1C 1P0037Y2 [0,1,0,0,0,0|1,0,0]=2 790 B7R1.4 Cc1[nH]cnc1C 1P002MD8 [0,1,0,0,0,0|2,0,0]=3 791 B7R1.4 Cc1[nH]cnc1C 1P00I9ZF [0,1,0,0,0,0|2,0,0]=3 792 B7R1.4 Cc1[nH]cnc1C 1P00IEBV [0,1,0,0,0,0|2,0,0]=3 793 B7R1.4 Cc1c[nH]cc1C 1P0036WU [0,1,0,0,0,0|1,0,0]=2 794 B7R1.4 Cc1c[nH]nc1Br 1P003ATK [0,1,0,0,0,0|0,0,0]=1 795 B7R1.4 Cc1c[nH]nc1Cl 1P01AN5U [0,1,0,0,0,0|0,0,0]=1 796 B7R1.4 Cc1c[nH]nc1N 1P00JGGO [0,1,0,0,0,0|0,0,0]=1 797 B7R1.4 Cc1c[nH]nc1O 1P00J2YC [0,1,0,0,0,0|0,0,0]=1 798 B7R1.4 Cc1ccsc1Br 1P003H3U [0,1,0,0,0,0|2,0,0]=3 799 B7R1.4 Cc1ccsc1Cl 1P003HCL [0,1,0,0,0,0|2,0,0]=3 800 B7R1.4 Cc1ccsc1I 1P001VNK [0,1,0,0,0,0|2,0,0]=3 801 B7R1.4 Cc1ccsc1S 1P01BKP7 [0,1,0,0,0,0|2,0,0]=3 802 B7R1.4 Cc1cn[nH]c1I 1P00I53R [0,1,0,0,0,0|0,0,0]=1 803 B7R1.4 Cc1cn[nH]c1N 1P00ECEX [0,1,0,0,0,0|0,0,0]=1 804 B7R1.4 Cc1cnoc1N 1P00C7EK [0,1,0,0,0,0|1,0,0]=2 805 B7R1.4 Cc1cnsc1Br 1P00DK9L [0,1,0,0,0,0|1,0,0]=2 806 B7R1.4 Cc1cnsc1N 1P028G8J [0,1,0,0,0,0|1,0,0]=2 807 B7R1.4 Cc1cocc1C 1P002K4Z [0,1,0,0,0,0|2,0,0]=3 808 B7R1.4 Cc1conc1Br 1P027WND [0,1,0,0,0,0|1,0,0]=2 809 B7R1.4 Cc1conc1N 1P0020K6 [0,1,0,0,0,0|1,0,0]=2 810 B7R1.4 Cc1cscc1C 1P00E9CW [0,1,0,0,0,0|2,0,0]=3 811 B7R1.4 Cc1n[nH]cc1C 1P0028XH [0,1,0,0,0,0|0,0,0]=1 812 B7R1.4 Cc1n[nH]cc1C 1P007LJF [0,1,0,0,0,0|0,0,0]=1 813 B7R1.4 Cc1nc[nH]c1Br 1P001QH3 [0,1,0,0,0,0|2,0,0]=3 814 B7R1.4 Cc1nc[nH]c1I 1P001QH4 [0,1,0,0,0,0|2,0,0]=3 815 B7R1.4 Cc1nc[nH]c1N 1P003L6T [0,1,0,0,0,0|2,0,0]=3 816 B7R1.4 Cc1ncoc1Br 1P01B34H [0,1,0,0,0,0|3,0,0]=4 817 B7R1.4 Cc1ncsc1Br 1P0034OT [0,1,0,0,0,0|3,0,0]=4 818 B7R1.4 Cc1ncsc1N 1P00FWA1 [0,1,0,0,0,0|3,0,0]=4 819 B7R1.4 Cc1ncsc1N 1P01B26U [0,1,0,0,0,0|3,0,0]=4 820 B7R1.4 Cc1nn[nH]c1Br 1P0034OS [0,1,0,0,0,0|1,0,0]=2 821 B7R1.4 Cc1nn[nH]c1N 1P01B5US [0,1,0,0,0,0|1,0,0]=2 822 B7R1.4 Cc1nnsc1Cl 1P00DDJZ [0,1,0,0,0,0|2,0,0]=3 823 B7R1.4 Cc1nnsc1N 1P01DX13 [0,1,0,0,0,0|2,0,0]=3 824 B7R1.4 Cc1nonc1C 1P00DD7H [0,1,0,0,0,0|2,0,0]=3 825 B7R1.4 Cc1occc1C 1P001LXH [0,1,0,0,0,0|2,0,0]=3 826 B7R1.4 Cc1ocnc1C 1P002J27 [0,1,0,0,0,0|2,0,0]=3 827 B7R1.4 Cc1s[c-]nc1C 1P00GSB6 [0,1,0,0,0,0|2,0,0]=3 828 B7R1.4 Cc1scnc1C 1P0034BY [0,1,0,0,0,0|2,0,0]=3 829 B7R1.4 Clc1[nH]cnc1Cl 1P001RQZ [0,1,0,0,0,0|3,0,0]=4 830 B7R1.4 Clc1[s+]snc1Cl 1P003ACB [0,1,0,0,0,0|3,0,0]=4 831 B7R1.4 Clc1c[nH]nc1C 1P001RBU [0,1,0,0,0,0|1,0,0]=2 832 B7R1.4 Clc1c[nH]nc1N 1P000T09 [0,1,0,0,0,0|1,0,0]=2 833 B7R1.4 Clc1c[nH]nc1N 1P00DGO0 [0,1,0,0,0,0|1,0,0]=2 834 B7R1.4 Clc1ccsc1Br 1P005RPO [0,1,0,0,0,0|3,0,0]=4 835 B7R1.4 Clc1ccsc1C 1P007WBT [0,1,0,0,0,0|3,0,0]=4 836 B7R1.4 Clc1ccsc1I 1P01BK8D [0,1,0,0,0,0|3,0,0]=4 837 B7R1.4 Clc1cn[nH]c1Br 1P01JVAR [0,1,0,0,0,0|1,0,0]=2 838 B7R1.4 Clc1cnoc1N 1P028P5S [0,1,0,0,0,0|2,0,0]=3 839 B7R1.4 Clc1cscc1N 1P00E9G7 [0,1,0,0,0,0|3,0,0]=4 840 B7R1.4 Clc1cscc1N 1P01KLJO [0,1,0,0,0,0|3,0,0]=4 841 B7R1.4 Clc1nc[nH]c1Br 1P0020H3 [0,1,0,0,0,0|3,0,0]=4 842 B7R1.4 Clc1nc[nH]c1C 1P004LHE [0,1,0,0,0,0|2,0,0]=3 843 B7R1.4 Clc1nsnc1Cl 1P0033YY [0,1,0,0,0,0|3,0,0]=4 844 B7R1.4 Clc1nsnc1F 1P028101 [0,1,0,0,0,0|3,0,0]=4 845 B7R1.4 Clc1sccc1Cl 1P003FYK [0,1,0,0,0,0|3,0,0]=4 846 B7R1.4 Cn1[nH]ccc1=O 1P00CJF7 [0,1,0,0,0,0|3,0,0]=4 847 B7R1.4 Cn1cc[nH]c1=O 1P0037ZK [0,1,0,0,0,0|2,0,0]=3 848 B7R1.4 Cn1ccnc1Br 1P003H2T [0,1,0,0,0,0|2,0,0]=3 849 B7R1.4 Cn1ccnc1C 1P001ZQM [0,1,0,0,0,0|2,0,0]=3 850 B7R1.4 Cn1ccnc1Cl 1P00BD1D [0,1,0,0,0,0|2,0,0]=3 851 B7R1.4 Cn1ccnc1I 1P007CDV [0,1,0,0,0,0|2,0,0]=3 852 B7R1.4 Cn1ccnc1N 1P001KWR [0,1,0,0,0,0|2,0,0]=3 853 B7R1.4 Cn1ccnc1N 1P0039WI [0,1,0,0,0,0|2,0,0]=3 854 B7R1.4 Cn1ccnc1S 1P00IB3Q [0,1,0,0,0,0|2,0,0]=3 855 B7R1.4 Cn1ccoc1=O 1P0283EE [0,1,0,0,0,0|3,0,0]=4 856 B7R1.4 Cn1ccsc1=N 1P00DCG7 [0,1,0,0,0,0|3,0,0]=4 857 B7R1.4 Cn1cncc1Br 1P0001YC [0,1,0,0,0,0|2,0,0]=3 858 B7R1.4 Cn1cncc1C 1P01A0LS [0,1,0,0,0,0|2,0,0]=3 859 B7R1.4 Cn1cncc1Cl 1P003N2H [0,1,0,0,0,0|2,0,0]=3 860 B7R1.4 Cn1cncc1I 1P00FAWG [0,1,0,0,0,0|2,0,0]=3 861 B7R1.4 Cn1cncc1N 1P001REF [0,1,0,0,0,0|2,0,0]=3 862 B7R1.4 Cn1cncc1N 1P00FFRY [0,1,0,0,0,0|2,0,0]=3 863 B7R1.4 Cn1cnnc1Br 1P00APS9 [0,1,0,0,0,0|1,0,1]=3 864 B7R1.4 Cn1cnnc1C 1P00ACCC [0,1,0,0,0,0|1,0,1]=3 865 B7R1.4 Cn1cnnc1Cl 1P01A3HT [0,1,0,0,0,0|1,0,1]=3 866 B7R1.4 Cn1cnnc1I 1P01BK7J [0,1,0,0,0,0|1,0,1]=3 867 B7R1.4 Cn1cnnc1N 1P001E7R [0,1,0,0,0,0|1,0,1]=3 868 B7R1.4 Cn1cnnc1N 1P007WZ7 [0,1,0,0,0,0|1,0,1]=3 869 B7R1.4 Cn1cnnc1N 1P01ACJY [0,1,0,0,0,0|1,0,1]=3 870 B7R1.4 Cn1cnnc1S 1P003M5Y [0,1,0,0,0,0|1,0,1]=3 871 B7R1.4 Cn1nc[nH]c1=S 1P01A79Q [0,1,0,0,0,0|3,0,0]=4 872 B7R1.4 Cn1nccc1Br 1P0038FI [0,1,0,0,0,0|3,0,0]=4 873 B7R1.4 Cn1nccc1C 1P005MKD [0,1,0,0,0,0|2,0,0]=3 874 B7R1.4 Cn1nccc1Cl 1P00CL8T [0,1,0,0,0,0|3,0,0]=4 875 B7R1.4 Cn1nccc1I 1P00C8NB [0,1,0,0,0,0|3,0,0]=4 876 B7R1.4 Cn1nccc1N 1P000ISJ [0,1,0,0,0,0|3,0,0]=4 877 B7R1.4 Cn1nccc1O 1P003AIK [0,1,0,0,0,0|3,0,0]=4 878 B7R1.4 Cn1nccc1O 1P003EXW [0,1,0,0,0,0|3,0,0]=4 879 B7R1.4 Cn1ncnc1Br 1P00AKQQ [0,1,0,0,0,0|3,0,0]=4 880 B7R1.4 Cn1ncnc1C 1P027VPU [0,1,0,0,0,0|3,0,0]=4 881 B7R1.4 Cn1ncnc1Cl 1P00F0NH [0,1,0,0,0,0|3,0,0]=4 882 B7R1.4 Cn1ncnc1N 1P001QBF [0,1,0,0,0,0|3,0,0]=4 883 B7R1.4 Cn1nncc1Br 1P00ATK8 [0,1,0,0,0,0|2,0,1]=4 884 B7R1.4 Cn1nncc1C 1P028ADR [0,1,0,0,0,0|1,0,1]=3 885 B7R1.4 Cn1nncc1Cl 1P028GBN [0,1,0,0,0,0|2,0,1]=4 886 B7R1.4 Cn1nncc1I 1P000PS3 [0,1,0,0,0,0|2,0,1]=4 887 B7R1.4 Cn1nncc1N 1P002PFT [0,1,0,0,0,0|2,0,1]=4 888 B7R1.4 Cn1nncc1N 1P0290FX [0,1,0,0,0,0|2,0,1]=4 889 B7R1.4 Cn1nncc1O 1P028Y1M [0,1,0,0,0,0|2,0,1]=4 890 B7R1.4 Cn1nncc1S 1P028MJE [0,1,0,0,0,0|2,0,1]=4 891 B7R1.4 Cn1nnnc1Br 1P007E20 [0,1,0,0,0,0|2,0,1]=4 892 B7R1.4 Cn1nnnc1C 1P00DHP9 [0,1,0,0,0,0|2,0,1]=4 893 B7R1.4 Cn1nnnc1Cl 1P005RHG [0,1,0,0,0,0|2,0,1]=4 894 B7R1.4 Cn1nnnc1I 1P00C9G0 [0,1,0,0,0,0|2,0,1]=4 895 B7R1.4 Cn1nnnc1N 1P00384T [0,1,0,0,0,0|2,0,1]=4 896 B7R1.4 Cn1nnnc1O 1P00J2XN [0,1,0,0,0,0|2,0,1]=4 897 B7R1.4 Cn1nnnc1S 1P003EYY [0,1,0,0,0,0|2,0,1]=4 898 B7R1.4 Fc1c[nH]cc1F 1P000QNK [0,1,0,0,0,0|2,0,0]=3 899 B7R1.4 Fc1c[nH]nc1Br 1P01JUPK [0,1,0,0,0,0|1,0,0]=2 900 B7R1.4 Fc1ccsc1Cl 1P028ZDK [0,1,0,0,0,0|3,0,0]=4 901 B7R1.4 Fc1ccsc1I 1P027VPP [0,1,0,0,0,0|3,0,0]=4 902 B7R1.4 Fc1cn[nH]c1N 1P01BESP [0,1,0,0,0,0|1,0,0]=2 903 B7R1.4 Fc1nc[nH]c1Br 1P00I1OI [0,1,0,0,0,0|3,0,0]=4 904 B7R1.4 Fc1nsnc1F 1P02912E [0,1,0,0,0,0|3,0,0]=4 905 B7R1.4 Ic1[nH]cnc1I 1P001QH2 [0,1,0,0,0,0|3,0,0]=4 906 B7R1.4 Ic1[nH]nnc1I 1P00I5RC [0,1,0,0,0,0|2,0,0]=3 907 B7R1.4 Ic1c[nH]nc1Br 1P00CEPL [0,1,0,0,0,0|1,0,0]=2 908 B7R1.4 Ic1c[nH]nc1C 1P001QDK [0,1,0,0,0,0|1,0,0]=2 909 B7R1.4 Ic1c[nH]nc1Cl 1P01PW3U [0,1,0,0,0,0|1,0,0]=2 910 B7R1.4 Ic1c[nH]nc1F 1P020JQK [0,1,0,0,0,0|1,0,0]=2 911 B7R1.4 Ic1ccsc1Br 1P00BGJV [0,1,0,0,0,0|3,0,0]=4 912 B7R1.4 Ic1cn[nH]c1N 1P00GAHS [0,1,0,0,0,0|1,0,0]=2 913 B7R1.4 Ic1cnoc1C 1P005HNQ [0,1,0,0,0,0|2,0,0]=3 914 B7R1.4 Ic1cnoc1N 1P01B5SN [0,1,0,0,0,0|2,0,0]=3 915 B7R1.4 Ic1cocc1C 1P01ANWT [0,1,0,0,0,0|2,0,0]=3 916 B7R1.4 Ic1cscc1Br 1P005B28 [0,1,0,0,0,0|3,0,0]=4 917 B7R1.4 Ic1csnc1Br 1P01ELTX [0,1,0,0,0,0|2,0,0]=3 918 B7R1.4 Ic1csnc1N 1P01FJ2X [0,1,0,0,0,0|2,0,0]=3 919 B7R1.4 Ic1csnc1N 1P01FJ2Y [0,1,0,0,0,0|2,0,0]=3 920 B7R1.4 Ic1ncoc1C 1P028TLC [0,1,0,0,0,0|2,0,0]=3 921 B7R1.4 Ic1nonc1N 1P001QVY [0,1,0,0,0,0|3,0,0]=4 922 B7R1.4 Ic1sccc1I 1P002GL1 [0,1,0,0,0,0|3,0,0]=4 923 B7R1.4 NC1=NCCN1C 1P01A6IA [0,1,0,0,0,0|2,0,1]=4 924 B7R1.4 Nc1c[nH]nc1Br 1P009X00 [0,1,0,0,0,0|1,0,0]=2 925 B7R1.4 Nc1c[nH]nc1C 1P000JZM [0,1,0,0,0,0|1,0,0]=2 926 B7R1.4 Nc1c[nH]nc1C 1P007B6V [0,1,0,0,0,0|1,0,0]=2 927 B7R1.4 Nc1c[nH]nc1Cl 1P008UTO [0,1,0,0,0,0|1,0,0]=2 928 B7R1.4 Nc1c[nH]nc1Cl 1P00EL0C [0,1,0,0,0,0|1,0,0]=2 929 B7R1.4 Nc1ccsc1Br 1P00IKUH [0,1,0,0,0,0|3,0,0]=4 930 B7R1.4 Nc1ccsc1C 1P01BRMN [0,1,0,0,0,0|3,0,0]=4 931 B7R1.4 Nc1ccsc1Cl 1P01AGQV [0,1,0,0,0,0|3,0,0]=4 932 B7R1.4 Nc1cn[nH]c1C 1P00G5R0 [0,1,0,0,0,0|1,0,0]=2 933 B7R1.4 Nc1cnoc1C 1P0002LG [0,1,0,0,0,0|2,0,0]=3 934 B7R1.4 Nc1cnoc1C 1P004I86 [0,1,0,0,0,0|2,0,0]=3 935 B7R1.4 Nc1cnsc1Br 1P01B2VU [0,1,0,0,0,0|2,0,0]=3 936 B7R1.4 Nc1cnsc1Br 1P028ANF [0,1,0,0,0,0|2,0,0]=3 937 B7R1.4 Nc1cnsc1C 1P0284VU [0,1,0,0,0,0|2,0,0]=3 938 B7R1.4 Nc1conc1C 1P00CJB5 [0,1,0,0,0,0|2,0,0]=3 939 B7R1.4 Nc1conc1C 1P01C5S8 [0,1,0,0,0,0|2,0,0]=3 940 B7R1.4 Nc1cscc1C 1P00CCYZ [0,1,0,0,0,0|2,0,0]=3 941 B7R1.4 Nc1cscc1N 1P003V9A [0,1,0,0,0,0|3,0,0]=4 942 B7R1.4 Nc1cscc1N 1P008MOQ [0,1,0,0,0,0|3,0,0]=4 943 B7R1.4 Nc1csnc1Br 1P028SVW [0,1,0,0,0,0|2,0,0]=3 944 B7R1.4 Nc1csnc1C 1P01EIGO [0,1,0,0,0,0|2,0,0]=3 945 B7R1.4 Nc1n[nH]cc1N 1P001VFK [0,1,0,0,0,0|1,0,0]=2 946 B7R1.4 Nc1n[nH]cc1N 1P00HZ8F [0,1,0,0,0,0|1,0,0]=2 947 B7R1.4 Nc1ncsc1C 1P01BVRP [0,1,0,0,0,0|2,0,0]=3 948 B7R1.4 Nc1ncsc1C 1P01BVRQ [0,1,0,0,0,0|2,0,0]=3 949 B7R1.4 Nc1no[nH]c1=O 1P00B9RB [0,1,0,0,0,0|3,0,0]=4 950 B7R1.4 Nc1nonc1C 1P00255Q [0,1,0,0,0,0|2,0,0]=3 951 B7R1.4 Nc1nonc1N 1P00330W [0,1,0,0,0,0|3,0,0]=4 952 B7R1.4 Nc1nsnc1N 1P00DT4H [0,1,0,0,0,0|3,0,0]=4 953 B7R1.4 Nn1cccc1C 1P028FJN [0,1,0,0,0,0|3,0,0]=4 954 B7R1.4 Nn1cn[nH]c1=O 1P0001YA [0,1,0,0,0,0|2,0,0]=3 955 B7R1.4 Nn1cn[nH]c1=S 1P003A7X [0,1,0,0,0,0|2,0,0]=3 956 B7R1.4 Nn1cnnc1C 1P00J2TQ [0,1,0,0,0,0|2,0,1]=4 957 B7R1.4 Nn1cnnc1N 1P019OH2 [0,1,0,0,0,0|2,0,1]=4 958 B7R1.4 Nn1cnnc1S 1P028LQV [0,1,0,0,0,0|2,0,1]=4 959 B7R1.4 O=C1CCC=C1Br 1P008UEE [0,1,0,0,0,0|3,0,0]=4 960 B7R1.4 O=C1CCC=C1C 1P0033UM [0,1,0,0,0,0|2,0,0]=3 961 B7R1.4 O=C1CCC=C1I 1P00CN3A [0,1,0,0,0,0|3,0,0]=4 962 B7R1.4 O=C1CCC=C1O 1P0036LG [0,1,0,0,0,0|3,0,0]=4 963 B7R1.4 O=C1CNCN1C 1P01A57S [0,1,0,0,0,0|2,0,1]=4 964 B7R1.4 O=C1CNCN1C 1P01AF87 [0,1,0,0,0,0|2,0,1]=4 965 B7R1.4 O=C1NCCC1C 1P00BDOY [0,1,0,0,0,0|1,0,2]=4 966 B7R1.4 O=C1NCCN1C 1P0038Y4 [0,1,0,0,0,0|2,0,1]=4 967 B7R1.4 O=C1NCC[C@H]1C 1P01DXX5 [0,1,0,0,0,0|1,0,2]=4 968 B7R1.4 O=C1OCC=C1C 1P003K5L [0,1,0,0,0,0|2,0,0]=3 969 B7R1.4 O=C1OCC=C1Cl 1P0032D1 [0,1,0,0,0,0|3,0,0]=4 970 B7R1.4 O=C1OCC=C1N 1P00I73J [0,1,0,0,0,0|3,0,0]=4 971 B7R1.4 O=c1[nH][nH]cc1N 1P01AMNR [0,1,0,0,0,0|1,0,1]=3 972 B7R1.4 Oc1cnoc1C 1P027UVL [0,1,0,0,0,0|2,0,0]=3 973 B7R1.4 On1nncc1Cl 1P0286OJ [0,1,0,0,0,0|2,0,1]=4 974 B7R1.4 S=C1NCCN1C 1P00HTR3 [0,1,0,0,0,0|2,0,1]=4 975 B7R1.4 Sc1ccoc1C 1P002W7D [0,1,0,0,0,0|3,0,0]=4 976 B5R0.1 BrCC=C(C)C 1P0033YB [0,0,1,0,0,0|2,0,1]=4 977 B5R0.1 CC(=C)CCBr 1P002D6V [0,0,1,0,0,0|2,0,1]=4 978 B5R0.1 CC(=C)CCI 1P01BBJI [0,0,1,0,0,0|2,0,1]=4 979 B5R0.1 CC(=C)CCN 1P01AVCN [0,0,1,0,0,0|1,0,1]=3 980 B5R0.1 CC(=C)CCO 1P003K67 [0,0,1,0,0,0|2,0,1]=4 981 B5R0.1 CC(=C)CNN 1P001E50 [0,0,1,0,0,0|0,0,2]=3 982 B5R0.1 CC(=C)CON 1P00DCMU [0,0,1,0,0,0|1,0,1]=3 983 B5R0.1 CC(=C)N=C=O 1P01GDE9 [0,0,1,0,0,0|3,0,0]=4 984 B5R0.1 CC(=CC#N)N 1P003JE4 [0,0,1,0,0,0|2,0,1]=4 985 B5R0.1 CC(=O)C=NO 1P00314I [0,0,1,0,0,0|2,0,0]=3 986 B5R0.1 CC(=O)CCN 1P00I4LI [0,0,1,0,0,0|2,0,1]=4 987 B5R0.1 CC(=O)\C=C\Cl 1P0072VO [0,0,1,0,0,0|3,0,0]=4 988 B5R0.1 CC(C=NO)C 1P00AOPK [0,0,1,0,0,0|1,0,2]=4 989 B5R0.1 CC(\C=N\O)C 1P01GJ99 [0,0,1,0,0,0|1,0,2]=4 990 B5R0.1 CC=CC(=O)C 1P0039SF [0,0,1,0,0,0|3,0,0]=4 991 B5R0.1 CCCC(=C)C 1P003I23 [0,0,1,0,0,0|2,0,1]=4 992 B5R0.1 CNCC(=C)Br 1P02823C [0,0,1,0,0,0|2,0,1]=4 993 B5R0.1 CNCC(=C)C 1P01BV54 [0,0,1,0,0,0|1,0,1]=3 994 B5R0.1 CNCC(=C)F 1P028F1V [0,0,1,0,0,0|2,0,1]=4 995 B5R0.1 CNN=C(N)C 1P01BE58 [0,0,1,0,0,0|3,0,0]=4 996 B5R0.1 CNNC(=O)C 1P0284CW [0,0,1,0,0,0|3,0,0]=4 997 B5R0.1 CNOC(=O)C 1P003TW6 [0,0,1,0,0,0|3,0,0]=4 998 B5R0.1 COCC(=C)C 1P00CC6P [0,0,1,0,0,0|2,0,1]=4 999 B5R0.1 C\C=C\C(=O)C 1P0032ET [0,0,1,0,0,0|3,0,0]=4 1000 B5R0.1 ClCC=C(C)C 1P00387Y [0,0,1,0,0,0|2,0,1]=4 1001 B5R0.1 IC\C=C(/I)\C 1P009JLH [0,0,1,0,0,0|3,0,0]=4 1002 B5R0.1 IC\C=C(\I)/C 1P01WK7O [0,0,1,0,0,0|3,0,0]=4 1003 B5R0.1 N#CC=C(C)C 1P00DK3B [0,0,1,0,0,0|1,0,2]=4 1004 B5R0.1 NCC=C(C)C 1P0018SM [0,0,1,0,0,0|1,0,1]=3 1005 B5R0.1 NCC=C(C)C 1P00BCD3 [0,0,1,0,0,0|1,0,1]=3 1006 B5R0.1 NCC=C(Cl)Cl 1P01B2AE [0,0,1,0,0,0|3,0,0]=4 1007 B5R0.1 NCC=C(F)F 1P0286I6 [0,0,1,0,0,0|3,0,0]=4 1008 B5R0.1 NOCC(=C)Cl 1P028BSS [0,0,1,0,0,0|2,0,1]=4 1009 B5R0.1 O=CC=C(C)C 1P00347P [0,0,1,0,0,0|2,0,1]=4 1010 B5R0.1 OCC=C(C)C 1P003K5R [0,0,1,0,0,0|2,0,1]=4 1011 B5R0.1 OCCC(=C)C 1P008NDS [0,0,1,0,0,0|2,0,1]=4 1012 B5R0.1 ONCC(=C)Br 1P0289B9 [0,0,1,0,0,0|2,0,1]=4 1013 B5R0.1 SCC=C(C)C 1P00DAZ6 [0,0,1,0,0,0|2,0,1]=4 1014 B5R0.1 [C-]#[N+]CC(=C)C 1P028U20 [0,0,1,0,0,0|1,0,2]=4 1015 B5R0.1 [O-]C(=CC#N)C 1P019MJL [0,0,1,0,0,0|2,0,1]=4 1016 B5R0.1 [O-]C=CC(=O)C 1P028582 [0,0,1,0,0,0|3,0,0]=4 1017 B5R0.2 CC=CCCBr 1P00DR1G [0,0,1,0,0,0|3,0,0]=4 1018 B5R0.2 CC=CCCN 1P01AIX4 [0,0,1,0,0,0|3,0,0]=4 1019 B5R0.2 CC=CCON 1P0284EA [0,0,1,0,0,0|3,0,0]=4 1020 B5R0.2 CCOC=CC 1P003ER0 [0,0,1,0,0,0|2,0,1]=4 1021 B5R0.2 C\C=C\CC#N 1P001WIR [0,0,1,0,0,0|3,0,0]=4 1022 B5R0.2 C\C=C\CCBr 1P005EJH [0,0,1,0,0,0|3,0,0]=4 1023 B5R0.2 C\C=C\CCO 1P008QP2 [0,0,1,0,0,0|3,0,0]=4 1024 B5R0.2 C\C=C\N=C=O 1P0289I4 [0,0,1,0,0,0|2,0,0]=3 1025 B5R0.3 BrC\C(=C\Br)\C 1P028THF [0,0,1,0,0,0|2,0,1]=4 1026 B5R0.3 CC(=CBr)C#N 1P001MUK [0,0,1,0,0,0|1,0,2]=4 1027 B5R0.3 CC(=CCl)CS 1P01BI85 [0,0,1,0,0,0|2,0,1]=4 1028 B5R0.3 CC(C=C)CN 1P028SHC [0,0,1,0,0,0|1,0,2]=4 1029 B5R0.3 CC(C=C)ON 1P00FD3J [0,0,1,0,0,0|2,0,1]=4 1030 B5R0.3 C\C(=C/C)\C#N 1P003I2D [0,0,1,0,0,0|1,0,2]=4 1031 B5R0.3 C\C(=C/C)\CCl 1P01EMGD [0,0,1,0,0,0|2,0,1]=4 1032 B5R0.3 C\C=C(\C=O)/Br 1P01G991 [0,0,1,0,0,0|3,0,0]=4 1033 B5R0.3 C\C=C(\C=O)/C 1P00366D [0,0,1,0,0,0|2,0,0]=3 1034 B5R0.3 C\C=C(\C=O)/Cl 1P002R15 [0,0,1,0,0,0|3,0,0]=4 1035 B5R0.3 NC=C(C=O)C 1P0032BD [0,0,1,0,0,0|1,0,0]=2 1036 B5R0.3 NCC(=CCl)Cl 1P0284WP [0,0,1,0,0,0|2,0,1]=4 1037 B5R0.3 NNC(=O)C=C 1P01EMC9 [0,0,1,0,0,0|3,0,0]=4 1038 B5R0.3 NNC(C=C)C 1P02829N [0,0,1,0,0,0|2,0,1]=4 1039 B5R0.3 O=CN(C=O)C 1P0023PU [0,0,1,0,0,0|3,0,0]=4 1040 B5R1.2 BrC1=CCC1 1P028I74 [0,0,0,0,1,0|2,0,1]=4 1041 B5R1.2 C1CNC1=O 1P0033LA [0,0,0,0,1,0|2,0,1]=4 1042 B5R1.2 C=C1CNC1 1P01B63I [0,0,0,0,1,0|0,0,3]=4 1043 B5R1.2 CC1CCN1 1P000GWL [0,0,0,0,1,0|1,0,2]=4 1044 B5R1.2 CC1CNC1 1P003K76 [0,0,0,0,1,0|0,0,3]=4 1045 B5R1.2 C[C@@H]1CCN1 1P01KAC0 [0,0,0,0,1,0|1,0,2]=4 1046 B5R1.2 C[C@H]1CCN1 1P01K3QZ [0,0,0,0,1,0|1,0,2]=4 1047 B5R1.2 O=C1CNC1 1P0021IQ [0,0,0,0,1,0|1,0,2]=4 1048 B7R1.3 BrC1=CCCNC1 1P01B8PC [0,0,0,0,0,1|2,0,1]=4 1049 B7R1.3 BrC1=CCNCC1 1P01FIK1 [0,0,0,0,0,1|2,0,1]=4 1050 B7R1.3 Br[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P008T6V [0,0,0,0,0,1|3,0,0]=4 1051 B7R1.3 Brc1cc[c]nc1 1P003MWR [0,0,0,0,0,1|2,0,0]=3 1052 B7R1.3 Brc1ccccn1 1P0033NM [0,0,0,0,0,1|3,0,0]=4 1053 B7R1.3 Brc1cccnc1 1P00343S [0,0,0,0,0,1|2,0,0]=3 1054 B7R1.3 Brc1cccnn1 1P00343R [0,0,0,0,0,1|3,0,0]=4 1055 B7R1.3 Brc1ccncc1 1P0034FC [0,0,0,0,0,1|2,0,0]=3 1056 B7R1.3 Brc1ccncc1 1P0038SJ [0,0,0,0,0,1|2,0,0]=3 1057 B7R1.3 Brc1ccncc1 1P00FDJY [0,0,0,0,0,1|2,0,0]=3 1058 B7R1.3 Brc1ccncn1 1P0039MI [0,0,0,0,0,1|2,0,0]=3 1059 B7R1.3 Brc1ccnnc1 1P000WQH [0,0,0,0,0,1|1,0,1]=3 1060 B7R1.3 Brc1ccnnc1 1P00171L [0,0,0,0,0,1|1,0,1]=3 1061 B7R1.3 Brc1cnccn1 1P0033NL [0,0,0,0,0,1|2,0,0]=3 1062 B7R1.3 Brc1cnccn1 1P01ANMT [0,0,0,0,0,1|2,0,0]=3 1063 B7R1.3 Brc1cncnc1 1P0034P7 [0,0,0,0,0,1|1,0,1]=3 1064 B7R1.3 Brc1cnnnc1 1P000AZ3 [0,0,0,0,0,1|1,0,1]=3 1065 B7R1.3 CC1=C=C[N]C=C1 1P008USL [0,0,0,0,0,1|1,0,1]=3 1066 B7R1.3 CC1=CCCNC1 1P00HYHF [0,0,0,0,0,1|1,0,1]=3 1067 B7R1.3 CC1=CCNCC1 1P00377S [0,0,0,0,0,1|1,0,1]=3 1068 B7R1.3 CC1=CCNCC1 1P003UIS [0,0,0,0,0,1|1,0,1]=3 1069 B7R1.3 C[n+]1ccccc1 1P003EZK [0,0,0,0,0,1|3,0,0]=4 1070 B7R1.3 C[n+]1ccccc1 1P00GUZE [0,0,0,0,0,1|3,0,0]=4 1071 B7R1.3 Cc1ccccn1 1P0023GU [0,0,0,0,0,1|2,0,0]=3 1072 B7R1.3 Cc1ccccn1 1P0037Z6 [0,0,0,0,0,1|2,0,0]=3 1073 B7R1.3 Cc1cccnc1 1P003486 [0,0,0,0,0,1|1,0,0]=2 1074 B7R1.3 Cc1cccnn1 1P001UBK [0,0,0,0,0,1|2,0,0]=3 1075 B7R1.3 Cc1ccncn1 1P003M9B [0,0,0,0,0,1|1,0,0]=2 1076 B7R1.3 Cc1ccnnc1 1P00HCT0 [0,0,0,0,0,1|0,0,1]=2 1077 B7R1.3 Cc1cnccn1 1P003I6Y [0,0,0,0,0,1|1,0,0]=2 1078 B7R1.3 Cc1cncnc1 1P0029HT [0,0,0,0,0,1|0,0,1]=2 1079 B7R1.3 Cc1ncccn1 1P003I70 [0,0,0,0,0,1|3,0,0]=4 1080 B7R1.3 Cc1nccnn1 1P00C4US [0,0,0,0,0,1|2,0,0]=3 1081 B7R1.3 ClC1=CCCNC1 1P01C5F1 [0,0,0,0,0,1|2,0,1]=4 1082 B7R1.3 ClC1=C[N]C=C=C1 1P00BI1M [0,0,0,0,0,1|2,0,1]=4 1083 B7R1.3 Clc1c[c-]ccn1 1P008UMS [0,0,0,0,0,1|3,0,0]=4 1084 B7R1.3 Clc1c[c-]ncc1 1P008S4G [0,0,0,0,0,1|2,0,0]=3 1085 B7R1.3 Clc1ccccc1 1P003522 [0,0,0,0,0,1|3,0,0]=4 1086 B7R1.3 Clc1cccnc1 1P003JSA [0,0,0,0,0,1|2,0,0]=3 1087 B7R1.3 Clc1cccnn1 1P00345B [0,0,0,0,0,1|3,0,0]=4 1088 B7R1.3 Clc1cccnn1 1P003ARR [0,0,0,0,0,1|3,0,0]=4 1089 B7R1.3 Clc1ccncc1 1P0034H0 [0,0,0,0,0,1|2,0,0]=3 1090 B7R1.3 Clc1ccncc1 1P003ACI [0,0,0,0,0,1|2,0,0]=3 1091 B7R1.3 Clc1ccncn1 1P00276O [0,0,0,0,0,1|2,0,0]=3 1092 B7R1.3 Clc1ccncn1 1P0029FC [0,0,0,0,0,1|2,0,0]=3 1093 B7R1.3 Clc1ccncn1 1P0038PQ [0,0,0,0,0,1|2,0,0]=3 1094 B7R1.3 Clc1ccnnc1 1P000J2M [0,0,0,0,0,1|1,0,1]=3 1095 B7R1.3 Clc1ccnnc1 1P007DV7 [0,0,0,0,0,1|1,0,1]=3 1096 B7R1.3 Clc1cnccn1 1P001L0E [0,0,0,0,0,1|2,0,0]=3 1097 B7R1.3 Clc1cncnc1 1P007DV6 [0,0,0,0,0,1|1,0,1]=3 1098 B7R1.3 FC1=CCCNC1 1P01A4R5 [0,0,0,0,0,1|2,0,1]=4 1099 B7R1.3 Fc1ccccc1 1P0035E9 [0,0,0,0,0,1|3,0,0]=4 1100 B7R1.3 Fc1ccccn1 1P0033SI [0,0,0,0,0,1|3,0,0]=4 1101 B7R1.3 Fc1cccnc1 1P003JYE [0,0,0,0,0,1|2,0,0]=3 1102 B7R1.3 Fc1ccncc1 1P0034IB [0,0,0,0,0,1|2,0,0]=3 1103 B7R1.3 Fc1cnccn1 1P00D9L3 [0,0,0,0,0,1|2,0,0]=3 1104 B7R1.3 Fc1cncnc1 1P0060KF [0,0,0,0,0,1|1,0,1]=3 1105 B7R1.3 Ic1ccccc1 1P0035HS [0,0,0,0,0,1|3,0,0]=4 1106 B7R1.3 Ic1ccccn1 1P0036MH [0,0,0,0,0,1|3,0,0]=4 1107 B7R1.3 Ic1cccnc1 1P003476 [0,0,0,0,0,1|2,0,0]=3 1108 B7R1.3 Ic1cccnn1 1P01BGGD [0,0,0,0,0,1|3,0,0]=4 1109 B7R1.3 Ic1ccncc1 1P001QR9 [0,0,0,0,0,1|2,0,0]=3 1110 B7R1.3 Ic1ccncn1 1P00CLGQ [0,0,0,0,0,1|2,0,0]=3 1111 B7R1.3 Ic1ccnnc1 1P019GH6 [0,0,0,0,0,1|1,0,1]=3 1112 B7R1.3 Ic1cnccn1 1P0035HV [0,0,0,0,0,1|2,0,0]=3 1113 B7R1.3 Ic1cncnc1 1P0037VD [0,0,0,0,0,1|1,0,1]=3 1114 B7R1.3 N[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P0003HD [0,0,0,0,0,1|3,0,0]=4 1115 B7R1.3 Nc1ccccc1 1P003OD2 [0,0,0,0,0,1|3,0,0]=4 1116 B7R1.3 Nc1ccccc1 1P003OD4 [0,0,0,0,0,1|3,0,0]=4 1117 B7R1.3 Nc1ccccc1 1P003OD5 [0,0,0,0,0,1|3,0,0]=4 1118 B7R1.3 Nc1ccccc1 1P00DANN [0,0,0,0,0,1|3,0,0]=4 1119 B7R1.3 Nc1ccccn1 1P00CMJB [0,0,0,0,0,1|3,0,0]=4 1120 B7R1.3 Nc1cccnc1 1P003JEQ [0,0,0,0,0,1|2,0,0]=3 1121 B7R1.3 Nc1cccnn1 1P003426 [0,0,0,0,0,1|3,0,0]=4 1122 B7R1.3 Nc1cccnn1 1P0089JT [0,0,0,0,0,1|3,0,0]=4 1123 B7R1.3 Nc1ccncc1 1P0039PA [0,0,0,0,0,1|2,0,0]=3 1124 B7R1.3 Nc1ccncn1 1P00IAZ2 [0,0,0,0,0,1|2,0,0]=3 1125 B7R1.3 Nc1ccnnc1 1P001CGL [0,0,0,0,0,1|1,0,1]=3 1126 B7R1.3 Nc1ccnnc1 1P002JIJ [0,0,0,0,0,1|1,0,1]=3 1127 B7R1.3 Nc1cnccn1 1P003H0L [0,0,0,0,0,1|2,0,0]=3 1128 B7R1.3 Nc1cncnc1 1P0034NO [0,0,0,0,0,1|1,0,1]=3 1129 B7R1.3 Nc1cnncn1 1P0050GR [0,0,0,0,0,1|1,0,1]=3 1130 B7R1.3 Nc1nccnn1 1P003JAB [0,0,0,0,0,1|3,0,0]=4 1131 B7R1.3 Nc1ncncn1 1P00BYVN [0,0,0,0,0,1|3,0,0]=4 1132 B7R1.3 O=C1CCNC=C1 1P002PGW [0,0,0,0,0,1|2,0,1]=4 1133 B7R1.3 O=C1CNCC=C1 1P028FY8 [0,0,0,0,0,1|2,0,1]=4 1134 B7R1.3 O=c1cc[nH]cc1 1P007C4C [0,0,0,0,0,1|2,0,0]=3 1135 B7R1.3 O=c1cc[nH]nc1 1P001ZYO [0,0,0,0,0,1|1,0,0]=2 1136 B7R1.3 O=c1cccc[nH]1 1P00HWQR [0,0,0,0,0,1|3,0,0]=4 1137 B7R1.3 O=c1cccco1 1P003O98 [0,0,0,0,0,1|3,0,0]=4 1138 B7R1.3 O=c1ccnc[nH]1 1P003967 [0,0,0,0,0,1|2,0,0]=3 1139 B7R1.3 O=c1ccocc1 1P003LXT [0,0,0,0,0,1|3,0,0]=4 1140 B7R1.3 O=c1cncc[nH]1 1P003HWP [0,0,0,0,0,1|2,0,0]=3 1141 B7R1.3 OC1=CN=NCC1 1P001UCT [0,0,0,0,0,1|1,0,2]=4 1142 B7R1.3 O[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P00GVQD [0,0,0,0,0,1|3,0,0]=4 1143 B7R1.3 Oc1ccccc1 1P0000NN [0,0,0,0,0,1|3,0,0]=4 1144 B7R1.3 Oc1ccccn1 1P003UF8 [0,0,0,0,0,1|3,0,0]=4 1145 B7R1.3 Oc1ccccn1 1P003UIP [0,0,0,0,0,1|3,0,0]=4 1146 B7R1.3 Oc1cccnc1 1P003K1M [0,0,0,0,0,1|2,0,0]=3 1147 B7R1.3 Oc1cccnn1 1P00DEIH [0,0,0,0,0,1|3,0,0]=4 1148 B7R1.3 Oc1ccncc1 1P0034J8 [0,0,0,0,0,1|2,0,0]=3 1149 B7R1.3 Oc1ccncn1 1P003M0J [0,0,0,0,0,1|2,0,0]=3 1150 B7R1.3 Oc1ccnnc1 1P002JFR [0,0,0,0,0,1|1,0,1]=3 1151 B7R1.3 Oc1cnccn1 1P000N6P [0,0,0,0,0,1|2,0,0]=3 1152 B7R1.3 Oc1cncnc1 1P002TRI [0,0,0,0,0,1|1,0,1]=3 1153 B7R1.3 Pc1ccccc1 1P003U5W [0,0,0,0,0,1|3,0,0]=4 1154 B7R1.3 S=c1cccc[nH]1 1P002TDH [0,0,0,0,0,1|3,0,0]=4 1155 B7R1.3 S=c1cccn[nH]1 1P002W4Y [0,0,0,0,0,1|3,0,0]=4 1156 B7R1.3 S=c1ccnc[nH]1 1P001KWU [0,0,0,0,0,1|2,0,0]=3 1157 B7R1.3 Sc1cccnc1 1P001SU2 [0,0,0,0,0,1|2,0,0]=3 1158 B7R1.3 Sc1ccncc1 1P003MH8 [0,0,0,0,0,1|2,0,0]=3 1159 B7R1.3 Sc1cnccn1 1P003HZ3 [0,0,0,0,0,1|2,0,0]=3 1160 B7R1.3 [15NH2]c1ccccc1 1P00FDEF [0,0,0,0,0,1|3,0,0]=4 1161 B7R1.3 [NH3+]c1ccccc1 1P00DL00 [0,0,0,0,0,1|3,0,0]=4 1162 B7R1.3 [O-][n+]1ccncc1 1P006XB5 [0,0,0,0,0,1|3,0,0]=4 1163 B7R1.3 [O]c1cncnc1 1P002VWK [0,0,0,0,0,1|1,0,1]=3 1164 B7R1.3 [S-]c1ccccc1 1P00BLKE [0,0,0,0,0,1|3,0,0]=4 1165 B7R1.3 [SeH]c1ccccc1 1P003U6T [0,0,0,0,0,1|3,0,0]=4 1166 B7R1.3 [SiH3]c1ccccc1 1P0039OY [0,0,0,0,0,1|2,1,0]=4 1167 B4R0.1 BrC(=C)C=O 1P001LZP [1,0,1,0,0,0|2,0,0]=4 1168 B4R0.1 BrC=C(C)C 1P003367 [1,0,1,0,0,0|1,0,1]=4 1169 B4R0.1 C=CC(=C)C 1P003RL1 [1,0,1,0,0,0|1,0,0]=3 1170 B4R0.1 C=CC(=O)N 1P00E9WL [1,0,1,0,0,0|2,0,0]=4 1171 B4R0.1 CC(=C)C#C 1P003I1U [1,0,1,0,0,0|1,0,1]=4 1172 B4R0.1 CC(=C)C=O 1P0035LF [1,0,1,0,0,0|1,0,0]=3 1173 B4R0.1 CC(=C)CBr 1P001DW1 [1,0,1,0,0,0|1,0,1]=4 1174 B4R0.1 CC(=C)CCl 1P0037OP [1,0,1,0,0,0|1,0,1]=4 1175 B4R0.1 CC(=C)CI 1P00CNG6 [1,0,1,0,0,0|1,0,1]=4 1176 B4R0.1 CC(=C)CN 1P002WWW [1,0,1,0,0,0|0,0,1]=3 1177 B4R0.1 CC(=C)CN 1P003I52 [1,0,1,0,0,0|0,0,1]=3 1178 B4R0.1 CC(=N)NN 1P00BYO7 [1,0,1,0,0,0|1,0,0]=3 1179 B4R0.1 CC(=NO)N 1P00DDO0 [1,0,1,0,0,0|2,0,0]=4 1180 B4R0.1 CC(=NO)N 1P01EIQU [1,0,1,0,0,0|2,0,0]=4 1181 B4R0.1 CC(=O)CN 1P0034X5 [1,0,1,0,0,0|1,0,1]=4 1182 B4R0.1 CC(=O)NBr 1P005BDP [1,0,1,0,0,0|2,0,0]=4 1183 B4R0.1 CC(=O)NN 1P003O4C [1,0,1,0,0,0|1,0,1]=4 1184 B4R0.1 CC(=O)NO 1P00394C [1,0,1,0,0,0|2,0,0]=4 1185 B4R0.1 CC(=S)NN 1P01GSMY [1,0,1,0,0,0|1,0,1]=4 1186 B4R0.1 CC(C=C)N 1P01A1MZ [1,0,1,0,0,0|1,0,1]=4 1187 B4R0.1 CC(C=C)N 1P01AL0X [1,0,1,0,0,0|1,0,1]=4 1188 B4R0.1 CC=C(Br)C 1P0011W9 [1,0,1,0,0,0|2,0,0]=4 1189 B4R0.1 CC=C(C)C 1P003I2C [1,0,1,0,0,0|1,0,1]=4 1190 B4R0.1 CN(C=O)N 1P00G5EA [1,0,1,0,0,0|2,0,0]=4 1191 B4R0.1 CN=C(N)C 1P01BBXW [1,0,1,0,0,0|2,0,0]=4 1192 B4R0.1 CNC(=O)C 1P0035SQ [1,0,1,0,0,0|2,0,0]=4 1193 B4R0.1 COC(=C)C 1P000HW9 [1,0,1,0,0,0|2,0,0]=4 1194 B4R0.1 COC(=N)C 1P001FNK [1,0,1,0,0,0|2,0,0]=4 1195 B4R0.1 C[C@@H](C=C)N 1P00AO6Z [1,0,1,0,0,0|1,0,1]=4 1196 B4R0.1 C[C@@H](C=C)N 1P024UN5 [1,0,1,0,0,0|1,0,1]=4 1197 B4R0.1 C[C@H](C=C)N 1P01EMC7 [1,0,1,0,0,0|1,0,1]=4 1198 B4R0.1 C\C(=N/O)\N 1P01FT21 [1,0,1,0,0,0|2,0,0]=4 1199 B4R0.1 C\C(=N\O)\N 1P007QF8 [1,0,1,0,0,0|2,0,0]=4 1200 B4R0.1 C\C=C(/Br)\C 1P003D6B [1,0,1,0,0,0|2,0,0]=4 1201 B4R0.1 ClC=C(C)C 1P003EOC [1,0,1,0,0,0|1,0,1]=4 1202 B4R0.1 NC(=O)C=C 1P0034W9 [1,0,1,0,0,0|2,0,0]=4 1203 B4R0.1 NCC(=C)Br 1P00ICEF [1,0,1,0,0,0|1,0,1]=4 1204 B4R0.1 NCC(=C)Cl 1P0002P5 [1,0,1,0,0,0|1,0,1]=4 1205 B4R0.1 NCC(=C)F 1P01X2H7 [1,0,1,0,0,0|1,0,1]=4 1206 B4R0.1 NCC(=N)N 1P003GZP [1,0,1,0,0,0|1,0,1]=4 1207 B4R0.1 NCC(=N)N 1P027RGW [1,0,1,0,0,0|1,0,1]=4 1208 B4R0.1 NN=C(C)C 1P00DMU1 [1,0,1,0,0,0|0,0,1]=3 1209 B4R0.1 NN=C(N)N 1P00IKUL [1,0,1,0,0,0|2,0,0]=4 1210 B4R0.1 NNC(=N)N 1P001SW7 [1,0,1,0,0,0|2,0,0]=4 1211 B4R0.1 NNC(=N)N 1P0039BN [1,0,1,0,0,0|2,0,0]=4 1212 B4R0.1 NNC(=N)N 1P003OAO [1,0,1,0,0,0|2,0,0]=4 1213 B4R0.1 NNC(=S)C 1P028L1B [1,0,1,0,0,0|1,0,1]=4 1214 B4R0.1 N[13C](=O)[13CH]=[13CH2] 1P00C2PS [1,0,1,0,0,0|2,0,0]=4 1215 B4R0.1 O=CC(=O)C 1P00360Q [1,0,1,0,0,0|2,0,0]=4 1216 B4R0.1 ON=C(C)C 1P000WZ8 [1,0,1,0,0,0|1,0,1]=4 1217 B4R0.2 C=CNC=O 1P000ZZS [1,0,1,0,0,0|2,0,0]=4 1218 B4R0.2 CC=CC#C 1P00711Z [1,0,1,0,0,0|1,0,1]=4 1219 B4R0.2 CCC=C=C 1P003DW4 [1,0,1,0,0,0|1,0,1]=4 1220 B4R0.2 CCC=CC 1P007AVD [1,0,1,0,0,0|1,0,1]=4 1221 B4R0.2 CNCC=C 1P003T6C [1,0,1,0,0,0|1,0,1]=4 1222 B4R0.2 CO\C=C\C 1P00FAME [1,0,1,0,0,0|1,0,1]=4 1223 B4R0.2 CSC=CC 1P00056G [1,0,1,0,0,0|1,0,1]=4 1224 B4R0.2 C\C=C/C=C 1P001PWM [1,0,1,0,0,0|1,0,0]=3 1225 B4R0.2 C\C=C\CCl 1P003378 [1,0,1,0,0,0|2,0,0]=4 1226 B4R0.2 C\C=C\CN 1P01EMOF [1,0,1,0,0,0|1,0,0]=3 1227 B4R0.2 C\C=C\CO 1P00DA5X [1,0,1,0,0,0|2,0,0]=4 1228 B4R0.2 NCC=C=C 1P00J3EU [1,0,1,0,0,0|1,0,1]=4 1229 B4R0.2 NCCC=C 1P0026RD [1,0,1,0,0,0|1,0,1]=4 1230 B4R0.2 NCCC=C 1P0240HB [1,0,1,0,0,0|1,0,1]=4 1231 B4R0.2 NC\C=C/Br 1P027U0V [1,0,1,0,0,0|1,0,1]=4 1232 B4R0.2 NNCC=C 1P00I9SX [1,0,1,0,0,0|0,0,2]=4 1233 B4R0.2 NNCC=C 1P00ICJX [1,0,1,0,0,0|0,0,2]=4 1234 B4R0.2 NOCC=C 1P0037QN [1,0,1,0,0,0|1,0,1]=4 1235 B4R0.2 N\C=C\C=O 1P002WE0 [1,0,1,0,0,0|1,0,0]=3 1236 B4R0.2 ONCC=C 1P0281KE [1,0,1,0,0,0|1,0,1]=4 1237 B4R0.2 [Pd+]C\C=C\C 1P003C2W [1,0,1,0,0,0|2,0,0]=4 1238 B6R0.1 CC(=CCC)C=O 1P003I2O [0,1,1,0,0,0|2,0,0]=4 1239 B6R0.1 NCCC(=C)CO 1P01BKU7 [0,1,1,0,0,0|1,0,1]=4 1240 B6R0.1 NCCC(=C)CO 1P028SA0 [0,1,1,0,0,0|1,0,1]=4 1241 B6R0.1 ON=CC(=NO)C 1P0022FT [0,1,1,0,0,0|2,0,0]=4 1242 B6R0.2 CC(=CC(=O)N)C 1P01BER2 [0,1,1,0,0,0|1,0,1]=4 1243 B6R0.2 C\C(=C/C(=O)C)\N 1P008UX7 [0,1,1,0,0,0|2,0,0]=4 1244 B6R0.2 C\C(=C\C(=S)N)\N 1P01S7W5 [0,1,1,0,0,0|2,0,0]=4 1245 B6R0.3 CC(=C)C(=NO)N 1P01BVAM [0,1,1,0,0,0|1,0,0]=3 1246 B6R0.3 CC(C(=NN)N)C 1P027V3Z [0,1,1,0,0,0|0,0,2]=4 1247 B6R0.3 CCC(=O)C(=C)C 1P00CDIA [0,1,1,0,0,0|2,0,0]=4 1248 B6R0.3 CNC(=O)C(=C)C 1P003TMG [0,1,1,0,0,0|1,0,0]=3 1249 B6R0.3 COC(=O)C(=C)C 1P003SHL [0,1,1,0,0,0|2,0,0]=4 1250 B6R0.3 C\C(=N/O)\C(=O)C 1P00IAMV [0,1,1,0,0,0|2,0,0]=4 1251 B6R0.3 NCC(=C(C)C)Br 1P01EMG8 [0,1,1,0,0,0|1,0,1]=4 1252 B6R0.3 NCC(=C(C)C)F 1P028SB7 [0,1,1,0,0,0|1,0,1]=4 1253 B6R0.3 NN=C(N(C)C)N 1P01BFVU [0,1,1,0,0,0|1,0,1]=4 1254 B6R0.4 CC(=C)CN=C=O 1P028K6Z [0,1,1,0,0,0|1,0,1]=4 1255 B6R0.4 CCNCC(=C)C 1P0027XL [0,1,1,0,0,0|1,0,1]=4 1256 B6R0.4 NCCC=C(C)C 1P01BDB7 [0,1,1,0,0,0|1,0,1]=4 1257 B6R0.4 NCCCC(=C)C 1P01CAMK [0,1,1,0,0,0|1,0,1]=4 1258 B6R0.4 NCCCC(=C)C 1P01EMHE [0,1,1,0,0,0|1,0,1]=4 1259 B6R0.4 NN=CNC(=O)N 1P0025CB [0,1,1,0,0,0|2,0,0]=4 1260 B6R0.4 NN=CNC(=S)N 1P002LST [0,1,1,0,0,0|2,0,0]=4 1261 B6R0.4 NOCCC(=C)C 1P028VXJ [0,1,1,0,0,0|1,0,1]=4 1262 B6R0.4 O=C=NC=C(C)C 1P01AGQO [0,1,1,0,0,0|1,0,1]=4 1263 B6R0.9 CCC(=CC)C=O 1P002BHU [0,1,1,0,0,0|2,0,0]=4 1264 B6R1.4 CC1CNC1=O 1P01DXX0 [0,1,0,0,1,0|0,0,2]=4 1265 B6R1.4 O=C1CC=C1Br 1P028AHP [0,1,0,0,1,0|2,0,0]=4 1266 B6R1.6 CC=C1CNC1 1P028F0D [0,1,0,0,1,0|0,0,2]=4 1267 B6R1.6 OCC1=CCC1 1P0281EC [0,1,0,0,1,0|1,0,1]=4 1268 B8R1.2 BrCc1ccccc1 1P0000N4 [0,1,0,0,0,1|2,0,0]=4 1269 B8R1.2 BrCc1ccccn1 1P00BC33 [0,1,0,0,0,1|2,0,0]=4 1270 B8R1.2 BrCc1cccnc1 1P0033XF [0,1,0,0,0,1|1,0,0]=3 1271 B8R1.2 BrCc1cccnn1 1P001L60 [0,1,0,0,0,1|2,0,0]=4 1272 B8R1.2 BrCc1ccncc1 1P00349W [0,1,0,0,0,1|1,0,0]=3 1273 B8R1.2 BrCc1ccncn1 1P0013LN [0,1,0,0,0,1|1,0,0]=3 1274 B8R1.2 BrCc1ccnnc1 1P01V2SC [0,1,0,0,0,1|0,0,1]=3 1275 B8R1.2 BrCc1cnccn1 1P001ID7 [0,1,0,0,0,1|1,0,0]=3 1276 B8R1.2 BrCc1cncnc1 1P00H1HO [0,1,0,0,0,1|0,0,1]=3 1277 B8R1.2 C#Cc1cccnc1 1P002QXU [0,1,0,0,0,1|1,0,1]=4 1278 B8R1.2 C#Cc1ccncc1 1P002QXV [0,1,0,0,0,1|1,0,1]=4 1279 B8R1.2 C#Cc1ccncc1 1P0034HI [0,1,0,0,0,1|1,0,1]=4 1280 B8R1.2 C#Cc1ccncn1 1P000PRI [0,1,0,0,0,1|1,0,1]=4 1281 B8R1.2 C#Cc1cnccn1 1P00ADUU [0,1,0,0,0,1|1,0,1]=4 1282 B8R1.2 C#Cc1cncnc1 1P00387D [0,1,0,0,0,1|0,0,2]=4 1283 B8R1.2 C=Cc1cccnc1 1P003491 [0,1,0,0,0,1|1,0,1]=4 1284 B8R1.2 C=Cc1ccncc1 1P0000N0 [0,1,0,0,0,1|1,0,1]=4 1285 B8R1.2 C=Cc1cnccn1 1P003IFF [0,1,0,0,0,1|1,0,1]=4 1286 B8R1.2 C=Cc1cncnc1 1P00DHZ5 [0,1,0,0,0,1|0,0,2]=4 1287 B8R1.2 CCc1ccccc1 1P0000N2 [0,1,0,0,0,1|2,0,0]=4 1288 B8R1.2 CCc1ccccn1 1P0000NJ [0,1,0,0,0,1|2,0,0]=4 1289 B8R1.2 CCc1cccnc1 1P00DE9B [0,1,0,0,0,1|1,0,0]=3 1290 B8R1.2 CCc1cccnn1 1P00BI37 [0,1,0,0,0,1|2,0,0]=4 1291 B8R1.2 CCc1ccncc1 1P003LT3 [0,1,0,0,0,1|1,0,0]=3 1292 B8R1.2 CCc1ccncn1 1P0030XP [0,1,0,0,0,1|1,0,0]=3 1293 B8R1.2 CCc1cnccn1 1P003HNC [0,1,0,0,0,1|1,0,0]=3 1294 B8R1.2 CCc1cncnc1 1P002RAM [0,1,0,0,0,1|0,0,1]=3 1295 B8R1.2 CN=c1nncc[nH]1 1P00FGZ2 [0,1,0,0,0,1|2,0,0]=4 1296 B8R1.2 CNc1ccccc1 1P0000NT [0,1,0,0,0,1|2,0,0]=4 1297 B8R1.2 CNc1ccccc1 1P003TNS [0,1,0,0,0,1|2,0,0]=4 1298 B8R1.2 CNc1ccccn1 1P003TP7 [0,1,0,0,0,1|2,0,0]=4 1299 B8R1.2 CNc1cccnc1 1P00289C [0,1,0,0,0,1|1,0,0]=3 1300 B8R1.2 CNc1cccnn1 1P00DM46 [0,1,0,0,0,1|2,0,0]=4 1301 B8R1.2 CNc1ccncc1 1P007CLZ [0,1,0,0,0,1|1,0,0]=3 1302 B8R1.2 CNc1ccncn1 1P00CCF5 [0,1,0,0,0,1|1,0,0]=3 1303 B8R1.2 CNc1ccnnc1 1P0035V9 [0,1,0,0,0,1|0,0,1]=3 1304 B8R1.2 CNc1cnccn1 1P00CL7Z [0,1,0,0,0,1|1,0,0]=3 1305 B8R1.2 CNc1cncnc1 1P00CMNJ [0,1,0,0,0,1|0,0,1]=3 1306 B8R1.2 COc1[c-]nccc1 1P008UE4 [0,1,0,0,0,1|1,0,1]=4 1307 B8R1.2 COc1ccccc1 1P0000NO [0,1,0,0,0,1|2,0,0]=4 1308 B8R1.2 COc1ccccn1 1P001TWH [0,1,0,0,0,1|2,0,0]=4 1309 B8R1.2 COc1cccnc1 1P00347L [0,1,0,0,0,1|1,0,0]=3 1310 B8R1.2 COc1cccnn1 1P002F5K [0,1,0,0,0,1|2,0,0]=4 1311 B8R1.2 COc1ccncc1 1P003M5N [0,1,0,0,0,1|1,0,0]=3 1312 B8R1.2 COc1ccncn1 1P00EFLG [0,1,0,0,0,1|1,0,0]=3 1313 B8R1.2 COc1ccnnc1 1P002JGU [0,1,0,0,0,1|0,0,1]=3 1314 B8R1.2 COc1cnccn1 1P003I17 [0,1,0,0,0,1|1,0,0]=3 1315 B8R1.2 COc1cncnc1 1P00BXRG [0,1,0,0,0,1|0,0,1]=3 1316 B8R1.2 CSc1ccccc1 1P0000NM [0,1,0,0,0,1|2,0,0]=4 1317 B8R1.2 CSc1ccccn1 1P00AP6U [0,1,0,0,0,1|2,0,0]=4 1318 B8R1.2 CSc1cccnc1 1P002H17 [0,1,0,0,0,1|1,0,0]=3 1319 B8R1.2 CSc1ccncc1 1P00CCG6 [0,1,0,0,0,1|1,0,0]=3 1320 B8R1.2 CSc1cnccn1 1P003BJ9 [0,1,0,0,0,1|1,0,0]=3 1321 B8R1.2 CSc1cncnc1 1P009JCV [0,1,0,0,0,1|0,0,1]=3 1322 B8R1.2 CSc1nccnn1 1P002WQZ [0,1,0,0,0,1|2,0,0]=4 1323 B8R1.2 CSc1ncncn1 1P01Q3RJ [0,1,0,0,0,1|2,0,0]=4 1324 B8R1.2 C[SiH2]c1ccccc1 1P005JR8 [0,1,0,0,0,1|2,0,0]=4 1325 B8R1.2 ClCc1ccccn1 1P0033BZ [0,1,0,0,0,1|2,0,0]=4 1326 B8R1.2 ClCc1ccccn1 1P0073L5 [0,1,0,0,0,1|2,0,0]=4 1327 B8R1.2 ClCc1cccnc1 1P005WS5 [0,1,0,0,0,1|1,0,0]=3 1328 B8R1.2 ClCc1cccnn1 1P00BJDE [0,1,0,0,0,1|2,0,0]=4 1329 B8R1.2 ClCc1ccncc1 1P0023Y0 [0,1,0,0,0,1|1,0,0]=3 1330 B8R1.2 ClCc1ccncn1 1P00349Y [0,1,0,0,0,1|1,0,0]=3 1331 B8R1.2 ClCc1ccnnc1 1P028UKA [0,1,0,0,0,1|0,0,1]=3 1332 B8R1.2 ClCc1cnccn1 1P002KZH [0,1,0,0,0,1|1,0,0]=3 1333 B8R1.2 ClCc1cncnc1 1P009EMG [0,1,0,0,0,1|0,0,1]=3 1334 B8R1.2 FCc1cccnc1 1P004R6V [0,1,0,0,0,1|1,0,0]=3 1335 B8R1.2 FCc1ccncc1 1P004SSU [0,1,0,0,0,1|1,0,0]=3 1336 B8R1.2 ICc1ccccc1 1P0037QF [0,1,0,0,0,1|2,0,0]=4 1337 B8R1.2 ICc1cccnc1 1P005TG6 [0,1,0,0,0,1|1,0,0]=3 1338 B8R1.2 ICc1ccncc1 1P001AK8 [0,1,0,0,0,1|1,0,0]=3 1339 B8R1.2 N#Cc1cccnc1 1P0000O0 [0,1,0,0,0,1|1,0,1]=4 1340 B8R1.2 N#Cc1ccncc1 1P0000MV [0,1,0,0,0,1|1,0,1]=4 1341 B8R1.2 N#Cc1ccncn1 1P003LQB [0,1,0,0,0,1|1,0,1]=4 1342 B8R1.2 N#Cc1ccnnc1 1P0061S0 [0,1,0,0,0,1|0,0,2]=4 1343 B8R1.2 N#Cc1cncnc1 1P003NF6 [0,1,0,0,0,1|0,0,2]=4 1344 B8R1.2 NCC1=CCNCC1 1P028VVQ [0,1,0,0,0,1|1,0,1]=4 1345 B8R1.2 NCc1ccccc1 1P0000MX [0,1,0,0,0,1|2,0,0]=4 1346 B8R1.2 NCc1ccccc1 1P003OLG [0,1,0,0,0,1|2,0,0]=4 1347 B8R1.2 NCc1ccccc1 1P00BYUK [0,1,0,0,0,1|2,0,0]=4 1348 B8R1.2 NCc1ccccc1 1P00DH5Y [0,1,0,0,0,1|2,0,0]=4 1349 B8R1.2 NCc1ccccn1 1P003IDS [0,1,0,0,0,1|2,0,0]=4 1350 B8R1.2 NCc1cccnc1 1P003UIR [0,1,0,0,0,1|1,0,0]=3 1351 B8R1.2 NCc1cccnc1 1P01XEWA [0,1,0,0,0,1|1,0,0]=3 1352 B8R1.2 NCc1cccnn1 1P00GS3J [0,1,0,0,0,1|2,0,0]=4 1353 B8R1.2 NCc1cccnn1 1P01JUG1 [0,1,0,0,0,1|2,0,0]=4 1354 B8R1.2 NCc1ccncc1 1P0034LV [0,1,0,0,0,1|1,0,0]=3 1355 B8R1.2 NCc1ccncc1 1P00ED63 [0,1,0,0,0,1|1,0,0]=3 1356 B8R1.2 NCc1ccncn1 1P000A6H [0,1,0,0,0,1|1,0,0]=3 1357 B8R1.2 NCc1ccncn1 1P0038A7 [0,1,0,0,0,1|1,0,0]=3 1358 B8R1.2 NCc1ccncn1 1P00EMBN [0,1,0,0,0,1|1,0,0]=3 1359 B8R1.2 NCc1ccnnc1 1P003AHQ [0,1,0,0,0,1|0,0,1]=3 1360 B8R1.2 NCc1ccnnc1 1P006ZTS [0,1,0,0,0,1|0,0,1]=3 1361 B8R1.2 NCc1cnccn1 1P002CZT [0,1,0,0,0,1|1,0,0]=3 1362 B8R1.2 NCc1cnccn1 1P00397Q [0,1,0,0,0,1|1,0,0]=3 1363 B8R1.2 NCc1cncnc1 1P002RBY [0,1,0,0,0,1|0,0,1]=3 1364 B8R1.2 NCc1cncnc1 1P00ILSS [0,1,0,0,0,1|0,0,1]=3 1365 B8R1.2 NCc1nccnc1 1P00HE98 [0,1,0,0,0,1|1,0,0]=3 1366 B8R1.2 NNc1cccnc1 1P0037EA [0,1,0,0,0,1|2,0,0]=4 1367 B8R1.2 NNc1cccnc1 1P00398X [0,1,0,0,0,1|2,0,0]=4 1368 B8R1.2 NNc1cccnc1 1P003JZP [0,1,0,0,0,1|2,0,0]=4 1369 B8R1.2 NNc1ccncc1 1P002JZO [0,1,0,0,0,1|2,0,0]=4 1370 B8R1.2 NNc1ccncc1 1P01DFTQ [0,1,0,0,0,1|2,0,0]=4 1371 B8R1.2 NNc1ccncc1 1P01FD3X [0,1,0,0,0,1|2,0,0]=4 1372 B8R1.2 NNc1ccncn1 1P003B7Q [0,1,0,0,0,1|2,0,0]=4 1373 B8R1.2 NNc1ccncn1 1P01APGO [0,1,0,0,0,1|2,0,0]=4 1374 B8R1.2 NNc1ccnnc1 1P028LF6 [0,1,0,0,0,1|1,0,1]=4 1375 B8R1.2 NNc1cncnc1 1P01BA7I [0,1,0,0,0,1|1,0,1]=4 1376 B8R1.2 N\N=c/1\cncc[nH]1 1P00394I [0,1,0,0,0,1|2,0,0]=4 1377 B8R1.2 O=Cc1cccnc1 1P00348S [0,1,0,0,0,1|1,0,1]=4 1378 B8R1.2 O=Cc1ccncc1 1P0034LU [0,1,0,0,0,1|1,0,1]=4 1379 B8R1.2 O=Cc1ccncc1 1P003MH5 [0,1,0,0,0,1|1,0,1]=4 1380 B8R1.2 O=Cc1ccncn1 1P00360K [0,1,0,0,0,1|1,0,1]=4 1381 B8R1.2 O=Cc1ccnnc1 1P0037UD [0,1,0,0,0,1|0,0,2]=4 1382 B8R1.2 O=Cc1cnccn1 1P003937 [0,1,0,0,0,1|1,0,1]=4 1383 B8R1.2 O=Cc1cncnc1 1P00034V [0,1,0,0,0,1|0,0,2]=4 1384 B8R1.2 OCC1=CCNCC1 1P0276LS [0,1,0,0,0,1|1,0,1]=4 1385 B8R1.2 OCc1ccccc1 1P0000MS [0,1,0,0,0,1|2,0,0]=4 1386 B8R1.2 OCc1ccccn1 1P003UIQ [0,1,0,0,0,1|2,0,0]=4 1387 B8R1.2 OCc1cccnc1 1P0000NZ [0,1,0,0,0,1|1,0,0]=3 1388 B8R1.2 OCc1cccnn1 1P0037RV [0,1,0,0,0,1|2,0,0]=4 1389 B8R1.2 OCc1ccncc1 1P0034J2 [0,1,0,0,0,1|1,0,0]=3 1390 B8R1.2 OCc1ccncc1 1P00IBZH [0,1,0,0,0,1|1,0,0]=3 1391 B8R1.2 OCc1ccncn1 1P00BXTK [0,1,0,0,0,1|1,0,0]=3 1392 B8R1.2 OCc1ccnnc1 1P00DBTI [0,1,0,0,0,1|0,0,1]=3 1393 B8R1.2 OCc1cnccn1 1P0033WD [0,1,0,0,0,1|1,0,0]=3 1394 B8R1.2 OCc1cncnc1 1P002RAL [0,1,0,0,0,1|0,0,1]=3 1395 B8R1.2 OCc1cncnc1 1P028QCV [0,1,0,0,0,1|0,0,1]=3 1396 B8R1.2 SCc1ccccc1 1P0000O1 [0,1,0,0,0,1|2,0,0]=4 1397 B8R1.2 SCc1ccccn1 1P0029Y2 [0,1,0,0,0,1|2,0,0]=4 1398 B8R1.2 SCc1cccnc1 1P0024X6 [0,1,0,0,0,1|1,0,0]=3 1399 B8R1.2 SCc1ccncc1 1P0023XZ [0,1,0,0,0,1|1,0,0]=3 1400 B8R1.2 [Mg+]Cc1ccccc1 1P005L1K [0,1,0,0,0,1|2,0,0]=4 1401 B8R1.2 c1nccnc1C#N 1P002BZY [0,1,0,0,0,1|1,0,1]=4 1402 B8R1.3 Brc1ccc(=O)[nH]c1 1P01FT0W [0,1,0,0,0,1|2,0,0]=4 1403 B8R1.3 Brc1ccc(cn1)Br 1P0033GS [0,1,0,0,0,1|2,0,0]=4 1404 B8R1.3 Brc1ccc(cn1)C 1P0033MK [0,1,0,0,0,1|1,0,0]=3 1405 B8R1.3 Brc1ccc(cn1)Cl 1P003H65 [0,1,0,0,0,1|2,0,0]=4 1406 B8R1.3 Brc1ccc(cn1)F 1P0033MD [0,1,0,0,0,1|2,0,0]=4 1407 B8R1.3 Brc1ccc(cn1)I 1P003H6M [0,1,0,0,0,1|2,0,0]=4 1408 B8R1.3 Brc1ccc(cn1)N 1P0034ND [0,1,0,0,0,1|2,0,0]=4 1409 B8R1.3 Brc1ccc(cn1)O 1P0037PB [0,1,0,0,0,1|2,0,0]=4 1410 B8R1.3 Brc1cnc(=O)[nH]c1 1P00522O [0,1,0,0,0,1|1,0,0]=3 1411 B8R1.3 Brc1cnc(=O)[nH]c1 1P007R0E [0,1,0,0,0,1|1,0,0]=3 1412 B8R1.3 Brc1cnc(=O)[nH]c1 1P028XWC [0,1,0,0,0,1|1,0,0]=3 1413 B8R1.3 Brc1cnc(=S)[nH]c1 1P007KX5 [0,1,0,0,0,1|1,0,0]=3 1414 B8R1.3 Brc1cnc(nc1)C 1P0034OG [0,1,0,0,0,1|1,0,1]=4 1415 B8R1.3 Brc1cnc(nc1)Cl 1P0034O9 [0,1,0,0,0,1|1,0,1]=4 1416 B8R1.3 Brc1cnc(nc1)F 1P00E9LT [0,1,0,0,0,1|1,0,1]=4 1417 B8R1.3 Brc1cnc(nc1)I 1P002817 [0,1,0,0,0,1|1,0,1]=4 1418 B8R1.3 Brc1cnc(nc1)N 1P0033KA [0,1,0,0,0,1|1,0,1]=4 1419 B8R1.3 Brc1cnc(nc1)O 1P003MY0 [0,1,0,0,0,1|1,0,1]=4 1420 B8R1.3 Brc1ncc(cn1)Br 1P003GDJ [0,1,0,0,0,1|1,0,1]=4 1421 B8R1.3 Brc1ncc(nc1)Br 1P002N26 [0,1,0,0,0,1|2,0,0]=4 1422 B8R1.3 Brc1ncc(nc1)I 1P00E9D6 [0,1,0,0,0,1|2,0,0]=4 1423 B8R1.3 Cc1c[nH]c(=O)cn1 1P002JDA [0,1,0,0,0,1|1,0,0]=3 1424 B8R1.3 Cc1cc[n+](cc1)C 1P001YMS [0,1,0,0,0,1|1,0,1]=4 1425 B8R1.3 Cc1cc[n+](cc1)C 1P002MBZ [0,1,0,0,0,1|1,0,1]=4 1426 B8R1.3 Cc1ccc(=O)[nH]c1 1P0001YV [0,1,0,0,0,1|1,0,0]=3 1427 B8R1.3 Cc1ccc(=O)[nH]n1 1P0014ZS [0,1,0,0,0,1|2,0,0]=4 1428 B8R1.3 Cc1ccc(=O)[nH]n1 1P003NRL [0,1,0,0,0,1|2,0,0]=4 1429 B8R1.3 Cc1ccc(=O)[nH]n1 1P0068H5 [0,1,0,0,0,1|2,0,0]=4 1430 B8R1.3 Cc1ccc(cc1)Br 1P0038GM [0,1,0,0,0,1|2,0,0]=4 1431 B8R1.3 Cc1ccc(cc1)C 1P003608 [0,1,0,0,0,1|2,0,0]=4 1432 B8R1.3 Cc1ccc(cc1)Cl 1P003LPB [0,1,0,0,0,1|2,0,0]=4 1433 B8R1.3 Cc1ccc(cc1)F 1P003U4A [0,1,0,0,0,1|2,0,0]=4 1434 B8R1.3 Cc1ccc(cc1)I 1P0034JN [0,1,0,0,0,1|2,0,0]=4 1435 B8R1.3 Cc1ccc(cc1)I 1P007BGQ [0,1,0,0,0,1|2,0,0]=4 1436 B8R1.3 Cc1ccc(cc1)N 1P003605 [0,1,0,0,0,1|2,0,0]=4 1437 B8R1.3 Cc1ccc(cc1)N 1P003UHX [0,1,0,0,0,1|2,0,0]=4 1438 B8R1.3 Cc1ccc(cc1)O 1P003U0X [0,1,0,0,0,1|2,0,0]=4 1439 B8R1.3 Cc1ccc(cc1)S 1P003604 [0,1,0,0,0,1|2,0,0]=4 1440 B8R1.3 Cc1ccc(cc1)[Mg+] 1P003UI4 [0,1,0,0,0,1|2,0,0]=4 1441 B8R1.3 Cc1ccc(cn1)Br 1P0034OK [0,1,0,0,0,1|2,0,0]=4 1442 B8R1.3 Cc1ccc(cn1)C 1P0033HD [0,1,0,0,0,1|1,0,0]=3 1443 B8R1.3 Cc1ccc(cn1)Cl 1P003707 [0,1,0,0,0,1|2,0,0]=4 1444 B8R1.3 Cc1ccc(cn1)F 1P0038JB [0,1,0,0,0,1|2,0,0]=4 1445 B8R1.3 Cc1ccc(cn1)I 1P005Y11 [0,1,0,0,0,1|2,0,0]=4 1446 B8R1.3 Cc1ccc(cn1)N 1P003MU7 [0,1,0,0,0,1|2,0,0]=4 1447 B8R1.3 Cc1ccc(cn1)O 1P003K0R [0,1,0,0,0,1|2,0,0]=4 1448 B8R1.3 Cc1ccc(cn1)[S-] 1P01FLFN [0,1,0,0,0,1|2,0,0]=4 1449 B8R1.3 Cc1ccc(nn1)Br 1P00343A [0,1,0,0,0,1|2,0,0]=4 1450 B8R1.3 Cc1ccc(nn1)C 1P001UBL [0,1,0,0,0,1|2,0,0]=4 1451 B8R1.3 Cc1ccc(nn1)Cl 1P003JQR [0,1,0,0,0,1|2,0,0]=4 1452 B8R1.3 Cc1ccc(nn1)F 1P01BY1P [0,1,0,0,0,1|2,0,0]=4 1453 B8R1.3 Cc1ccc(nn1)I 1P001WDP [0,1,0,0,0,1|2,0,0]=4 1454 B8R1.3 Cc1ccc(nn1)N 1P003420 [0,1,0,0,0,1|2,0,0]=4 1455 B8R1.3 Cc1ccc(nn1)S 1P00EGKW [0,1,0,0,0,1|2,0,0]=4 1456 B8R1.3 Cc1cnc(=S)[nH]c1 1P019VBZ [0,1,0,0,0,1|0,0,0]=2 1457 B8R1.3 Cc1cnc(nc1)Br 1P001MP5 [0,1,0,0,0,1|0,0,1]=3 1458 B8R1.3 Cc1cnc(nc1)Cl 1P003HFX [0,1,0,0,0,1|0,0,1]=3 1459 B8R1.3 Cc1cnc(nc1)F 1P00EIC2 [0,1,0,0,0,1|0,0,1]=3 1460 B8R1.3 Cc1cnc(nc1)I 1P00AR5N [0,1,0,0,0,1|0,0,1]=3 1461 B8R1.3 Cc1cnc(nc1)N 1P00DC10 [0,1,0,0,0,1|0,0,1]=3 1462 B8R1.3 Cc1cnc(nc1)O 1P00C7DH [0,1,0,0,0,1|0,0,1]=3 1463 B8R1.3 Cc1cnc(nc1)O 1P00J31R [0,1,0,0,0,1|0,0,1]=3 1464 B8R1.3 Cc1cnc(nc1)S 1P00C7RF [0,1,0,0,0,1|0,0,1]=3 1465 B8R1.3 Cc1ncc(nc1)Br 1P0038ZG [0,1,0,0,0,1|1,0,0]=3 1466 B8R1.3 Cc1ncc(nc1)C 1P000KCZ [0,1,0,0,0,1|1,0,0]=3 1467 B8R1.3 Cc1ncc(nc1)Cl 1P0037HG [0,1,0,0,0,1|1,0,0]=3 1468 B8R1.3 Cc1ncc(nc1)I 1P00GZ59 [0,1,0,0,0,1|1,0,0]=3 1469 B8R1.3 Cc1ncc(nc1)N 1P003ND3 [0,1,0,0,0,1|1,0,0]=3 1470 B8R1.3 Clc1c[nH]c(=O)cn1 1P003773 [0,1,0,0,0,1|2,0,0]=4 1471 B8R1.3 Clc1ccc(=O)[nH]c1 1P003N3L [0,1,0,0,0,1|2,0,0]=4 1472 B8R1.3 Clc1ccc(=S)[nH]c1 1P003N5K [0,1,0,0,0,1|2,0,0]=4 1473 B8R1.3 Clc1ccc(cn1)Br 1P0034O8 [0,1,0,0,0,1|2,0,0]=4 1474 B8R1.3 Clc1ccc(cn1)C 1P0039DK [0,1,0,0,0,1|1,0,0]=3 1475 B8R1.3 Clc1ccc(cn1)Cl 1P001SM7 [0,1,0,0,0,1|2,0,0]=4 1476 B8R1.3 Clc1ccc(cn1)F 1P003HFF [0,1,0,0,0,1|2,0,0]=4 1477 B8R1.3 Clc1ccc(cn1)I 1P003HFQ [0,1,0,0,0,1|2,0,0]=4 1478 B8R1.3 Clc1ccc(cn1)N 1P0037RK [0,1,0,0,0,1|2,0,0]=4 1479 B8R1.3 Clc1ccc(cn1)O 1P0033P0 [0,1,0,0,0,1|2,0,0]=4 1480 B8R1.3 Clc1cnc(=O)[nH]c1 1P00DETG [0,1,0,0,0,1|1,0,0]=3 1481 B8R1.3 Clc1cnc(nc1)Br 1P000MF4 [0,1,0,0,0,1|1,0,1]=4 1482 B8R1.3 Clc1cnc(nc1)C 1P00DGG9 [0,1,0,0,0,1|1,0,1]=4 1483 B8R1.3 Clc1cnc(nc1)F 1P00ELBL [0,1,0,0,0,1|1,0,1]=4 1484 B8R1.3 Clc1cnc(nc1)I 1P003N3M [0,1,0,0,0,1|1,0,1]=4 1485 B8R1.3 Clc1cnc(nc1)N 1P00D8IX [0,1,0,0,0,1|1,0,1]=4 1486 B8R1.3 Clc1cnc(nc1)O 1P00I8PR [0,1,0,0,0,1|1,0,1]=4 1487 B8R1.3 Clc1ncc(cn1)Cl 1P0033GX [0,1,0,0,0,1|1,0,1]=4 1488 B8R1.3 Clc1ncc(nc1)Br 1P0037BF [0,1,0,0,0,1|2,0,0]=4 1489 B8R1.3 Clc1ncc(nc1)Cl 1P002BAR [0,1,0,0,0,1|2,0,0]=4 1490 B8R1.3 Clc1ncc(nc1)I 1P007XHW [0,1,0,0,0,1|2,0,0]=4 1491 B8R1.3 Fc1ccc(=N)[nH]c1 1P003GXR [0,1,0,0,0,1|2,0,0]=4 1492 B8R1.3 Fc1ccc(cn1)Br 1P003HQQ [0,1,0,0,0,1|2,0,0]=4 1493 B8R1.3 Fc1ccc(cn1)C 1P002OMU [0,1,0,0,0,1|1,0,0]=3 1494 B8R1.3 Fc1ccc(cn1)Cl 1P0034PI [0,1,0,0,0,1|2,0,0]=4 1495 B8R1.3 Fc1ccc(cn1)F 1P003GF6 [0,1,0,0,0,1|2,0,0]=4 1496 B8R1.3 Fc1ccc(cn1)I 1P00APXU [0,1,0,0,0,1|2,0,0]=4 1497 B8R1.3 Fc1ccc(cn1)N 1P0024K6 [0,1,0,0,0,1|2,0,0]=4 1498 B8R1.3 Fc1ccc(cn1)O 1P0033RZ [0,1,0,0,0,1|2,0,0]=4 1499 B8R1.3 Fc1cnc(=O)[nH]c1 1P0028LS [0,1,0,0,0,1|1,0,0]=3 1500 B8R1.3 Fc1cnc(nc1)Br 1P006SSP [0,1,0,0,0,1|1,0,1]=4 1501 B8R1.3 Fc1cnc(nc1)C 1P00DICK [0,1,0,0,0,1|1,0,1]=4 1502 B8R1.3 Fc1cnc(nc1)Cl 1P003HFH [0,1,0,0,0,1|1,0,1]=4 1503 B8R1.3 Fc1cnc(nc1)I 1P01KHIN [0,1,0,0,0,1|1,0,1]=4 1504 B8R1.3 Fc1cnc(nc1)N 1P001YHL [0,1,0,0,0,1|1,0,1]=4 1505 B8R1.3 Fc1ncc(cn1)F 1P00ARLR [0,1,0,0,0,1|1,0,1]=4 1506 B8R1.3 Fc1ncc(nc1)Br 1P0039TL [0,1,0,0,0,1|2,0,0]=4 1507 B8R1.3 Fc1ncc(nc1)Cl 1P01JWK5 [0,1,0,0,0,1|2,0,0]=4 1508 B8R1.3 Fc1ncc(nc1)F 1P01BA7S [0,1,0,0,0,1|2,0,0]=4 1509 B8R1.3 Ic1ccc(=O)[nH]c1 1P007MAM [0,1,0,0,0,1|2,0,0]=4 1510 B8R1.3 Ic1ccc(cn1)Br 1P003806 [0,1,0,0,0,1|2,0,0]=4 1511 B8R1.3 Ic1ccc(cn1)C 1P00BFPI [0,1,0,0,0,1|1,0,0]=3 1512 B8R1.3 Ic1ccc(cn1)Cl 1P00BD18 [0,1,0,0,0,1|2,0,0]=4 1513 B8R1.3 Ic1ccc(cn1)F 1P001RXK [0,1,0,0,0,1|2,0,0]=4 1514 B8R1.3 Ic1ccc(cn1)I 1P000CBM [0,1,0,0,0,1|2,0,0]=4 1515 B8R1.3 Ic1ccc(cn1)N 1P003MTZ [0,1,0,0,0,1|2,0,0]=4 1516 B8R1.3 Ic1ccc(cn1)O 1P000Z9C [0,1,0,0,0,1|2,0,0]=4 1517 B8R1.3 Ic1cnc(=O)[nH]c1 1P003HVH [0,1,0,0,0,1|1,0,0]=3 1518 B8R1.3 Ic1cnc(nc1)Br 1P00IGOI [0,1,0,0,0,1|1,0,1]=4 1519 B8R1.3 Ic1cnc(nc1)C 1P020M10 [0,1,0,0,0,1|1,0,1]=4 1520 B8R1.3 Ic1cnc(nc1)Cl 1P0033P2 [0,1,0,0,0,1|1,0,1]=4 1521 B8R1.3 Ic1cnc(nc1)F 1P005IU9 [0,1,0,0,0,1|1,0,1]=4 1522 B8R1.3 Ic1cnc(nc1)N 1P001K46 [0,1,0,0,0,1|1,0,1]=4 1523 B8R1.3 Nc1ccc(cn1)Br 1P0033K9 [0,1,0,0,0,1|2,0,0]=4 1524 B8R1.3 Nc1ccc(cn1)C 1P003GY3 [0,1,0,0,0,1|1,0,0]=3 1525 B8R1.3 Nc1ccc(cn1)Cl 1P0033KG [0,1,0,0,0,1|2,0,0]=4 1526 B8R1.3 Nc1ccc(cn1)I 1P002ACG [0,1,0,0,0,1|2,0,0]=4 1527 B8R1.3 Nc1ccc(cn1)N 1P003UJ0 [0,1,0,0,0,1|2,0,0]=4 1528 B8R1.3 Nc1ccc(cn1)N 1P00BC5O [0,1,0,0,0,1|2,0,0]=4 1529 B8R1.3 Nc1ccc(cn1)O 1P0034SD [0,1,0,0,0,1|2,0,0]=4 1530 B8R1.3 Nc1ccc(cn1)O 1P0036WS [0,1,0,0,0,1|2,0,0]=4 1531 B8R1.3 Nc1ccc(cn1)O 1P01KZDN [0,1,0,0,0,1|2,0,0]=4 1532 B8R1.3 Nc1cnc(nc1)Br 1P00ED1R [0,1,0,0,0,1|1,0,1]=4 1533 B8R1.3 Nc1cnc(nc1)C 1P003MU8 [0,1,0,0,0,1|1,0,1]=4 1534 B8R1.3 Nc1cnc(nc1)Cl 1P0034NG [0,1,0,0,0,1|1,0,1]=4 1535 B8R1.3 Nc1cnc(nc1)F 1P00E9OS [0,1,0,0,0,1|1,0,1]=4 1536 B8R1.3 Nc1cnc(nc1)I 1P01JPJ7 [0,1,0,0,0,1|1,0,1]=4 1537 B8R1.3 Nc1ncc(cn1)N 1P007OGK [0,1,0,0,0,1|1,0,1]=4 1538 B8R1.3 Nc1ncc(nc1)Br 1P003GXE [0,1,0,0,0,1|2,0,0]=4 1539 B8R1.3 Nc1ncc(nc1)Cl 1P0033KF [0,1,0,0,0,1|2,0,0]=4 1540 B8R1.3 Nc1ncc(nc1)F 1P0281L5 [0,1,0,0,0,1|2,0,0]=4 1541 B8R1.3 Nc1ncc(nc1)I 1P0036QW [0,1,0,0,0,1|2,0,0]=4 1542 B8R1.3 Nc1ncc(nc1)N 1P001REY [0,1,0,0,0,1|2,0,0]=4 1543 B8R1.3 Nc1ncc(nc1)N 1P005I0L [0,1,0,0,0,1|2,0,0]=4 1544 B8R1.3 Nc1ncc(nn1)C 1P002IF4 [0,1,0,0,0,1|1,0,1]=4 1545 B8R1.3 Oc1ccc(=O)[nH]c1 1P00DEMJ [0,1,0,0,0,1|2,0,0]=4 1546 B8R1.3 Oc1ccc(cn1)Br 1P0033T3 [0,1,0,0,0,1|2,0,0]=4 1547 B8R1.3 Oc1ccc(cn1)C 1P0068BS [0,1,0,0,0,1|1,0,0]=3 1548 B8R1.3 Oc1ccc(cn1)F 1P00I9MG [0,1,0,0,0,1|2,0,0]=4 1549 B8R1.3 Oc1ccc(cn1)I 1P01FVCZ [0,1,0,0,0,1|2,0,0]=4 1550 B8R1.3 Oc1ccc(cn1)N 1P0077NO [0,1,0,0,0,1|2,0,0]=4 1551 B8R1.3 Oc1ccc(cn1)N 1P00I734 [0,1,0,0,0,1|2,0,0]=4 1552 B8R1.3 Oc1cnc(nc1)Br 1P000LZC [0,1,0,0,0,1|1,0,1]=4 1553 B8R1.3 Oc1cnc(nc1)C 1P003N92 [0,1,0,0,0,1|1,0,1]=4 1554 B8R1.3 Oc1cnc(nc1)Cl 1P0033P1 [0,1,0,0,0,1|1,0,1]=4 1555 B8R1.3 Oc1cnc(nc1)N 1P007ZBH [0,1,0,0,0,1|1,0,1]=4 1556 B8R1.3 Oc1ncc(nc1)Br 1P003H6I [0,1,0,0,0,1|2,0,0]=4 1557 B8R1.3 Oc1ncc(nc1)I 1P01B93S [0,1,0,0,0,1|2,0,0]=4 1558 B8R1.3 Sc1ccc(cn1)Br 1P00EGLR [0,1,0,0,0,1|2,0,0]=4 1559 B8R1.3 Sc1ccc(cn1)C 1P007TI4 [0,1,0,0,0,1|1,0,0]=3 1560 B8R1.3 Sc1ccc(cn1)F 1P01X1P9 [0,1,0,0,0,1|2,0,0]=4 1561 B8R1.3 [O-][n+]1ccc(cc1)C 1P0001YW [0,1,0,0,0,1|1,0,1]=4 1562 B8R1.3 [S-]c1ccc(cc1)C 1P003M7Y [0,1,0,0,0,1|2,0,0]=4 1563 B8R1.4 Brc1cc[nH]c(=O)n1 1P00DL8O [0,1,0,0,0,1|2,0,0]=4 1564 B8R1.4 Brc1ccnc(c1)Br 1P00IAV6 [0,1,0,0,0,1|2,0,0]=4 1565 B8R1.4 Brc1ccnc(c1)C 1P003LDY [0,1,0,0,0,1|2,0,0]=4 1566 B8R1.4 Brc1ccnc(c1)C 1P00J1W2 [0,1,0,0,0,1|2,0,0]=4 1567 B8R1.4 Brc1ccnc(c1)Cl 1P0034DY [0,1,0,0,0,1|2,0,0]=4 1568 B8R1.4 Brc1ccnc(c1)F 1P000Y6T [0,1,0,0,0,1|2,0,0]=4 1569 B8R1.4 Brc1ccnc(c1)I 1P0002PZ [0,1,0,0,0,1|2,0,0]=4 1570 B8R1.4 Brc1ccnc(c1)N 1P0033JW [0,1,0,0,0,1|2,0,0]=4 1571 B8R1.4 Brc1ccnc(c1)O 1P0034E6 [0,1,0,0,0,1|2,0,0]=4 1572 B8R1.4 Brc1ccnc(n1)Br 1P00BYDM [0,1,0,0,0,1|2,0,0]=4 1573 B8R1.4 Brc1ccnc(n1)C 1P007TD4 [0,1,0,0,0,1|2,0,0]=4 1574 B8R1.4 Brc1ccnc(n1)Cl 1P0038U8 [0,1,0,0,0,1|2,0,0]=4 1575 B8R1.4 Brc1ccnc(n1)F 1P009MBT [0,1,0,0,0,1|2,0,0]=4 1576 B8R1.4 Brc1ccnc(n1)N 1P00C7KA [0,1,0,0,0,1|2,0,0]=4 1577 B8R1.4 Brc1cncc(c1)Br 1P0033ZU [0,1,0,0,0,1|2,0,0]=4 1578 B8R1.4 Brc1cncc(c1)I 1P002NGQ [0,1,0,0,0,1|2,0,0]=4 1579 B8R1.4 Brc1cncc(n1)Br 1P002N27 [0,1,0,0,0,1|2,0,0]=4 1580 B8R1.4 Brc1cnnc(c1)Br 1P000PSJ [0,1,0,0,0,1|1,0,1]=4 1581 B8R1.4 Brc1cnnc(c1)C 1P028F5O [0,1,0,0,0,1|1,0,1]=4 1582 B8R1.4 Brc1cnnc(c1)Cl 1P000PSK [0,1,0,0,0,1|1,0,1]=4 1583 B8R1.4 Brc1cnnc(c1)N 1P008ZIS [0,1,0,0,0,1|1,0,1]=4 1584 B8R1.4 Brc1ncnc(c1)Br 1P0034C0 [0,1,0,0,0,1|2,0,0]=4 1585 B8R1.4 CC1=CC(=N)NCC1 1P028G47 [0,1,0,0,0,1|1,0,1]=4 1586 B8R1.4 CC1=CC(=O)NCC1 1P028DZG [0,1,0,0,0,1|1,0,1]=4 1587 B8R1.4 CC1=CN=NC(=O)C1 1P0096LQ [0,1,0,0,0,1|0,0,1]=3 1588 B8R1.4 CC1CNCC(=C1)C 1P01BI0O [0,1,0,0,0,1|1,0,1]=4 1589 B8R1.4 C[n+]1ccnc(c1)Cl 1P01EW2I [0,1,0,0,0,1|2,0,0]=4 1590 B8R1.4 Cc1cc(=O)[nH]nc1 1P003NC4 [0,1,0,0,0,1|0,0,0]=2 1591 B8R1.4 Cc1cc[nH]c(=S)n1 1P003HYQ [0,1,0,0,0,1|1,0,0]=3 1592 B8R1.4 Cc1cccc(=O)[nH]1 1P00I6PQ [0,1,0,0,0,1|2,0,0]=4 1593 B8R1.4 Cc1cccc(=O)[nH]1 1P01A5YK [0,1,0,0,0,1|2,0,0]=4 1594 B8R1.4 Cc1cccc(c1)Br 1P003JM4 [0,1,0,0,0,1|2,0,0]=4 1595 B8R1.4 Cc1cccc(c1)C 1P0035QQ [0,1,0,0,0,1|2,0,0]=4 1596 B8R1.4 Cc1cccc(c1)Cl 1P00345C [0,1,0,0,0,1|2,0,0]=4 1597 B8R1.4 Cc1cccc(c1)F 1P00I7FR [0,1,0,0,0,1|2,0,0]=4 1598 B8R1.4 Cc1cccc(c1)I 1P003K2K [0,1,0,0,0,1|2,0,0]=4 1599 B8R1.4 Cc1cccc(c1)N 1P00348Z [0,1,0,0,0,1|2,0,0]=4 1600 B8R1.4 Cc1cccc(c1)N 1P003SN3 [0,1,0,0,0,1|2,0,0]=4 1601 B8R1.4 Cc1cccc(c1)O 1P003RX9 [0,1,0,0,0,1|2,0,0]=4 1602 B8R1.4 Cc1cccc(c1)S 1P003K79 [0,1,0,0,0,1|2,0,0]=4 1603 B8R1.4 Cc1cccc(n1)Br 1P003H7Q [0,1,0,0,0,1|2,0,0]=4 1604 B8R1.4 Cc1cccc(n1)C 1P0033IS [0,1,0,0,0,1|2,0,0]=4 1605 B8R1.4 Cc1cccc(n1)Cl 1P003HHO [0,1,0,0,0,1|2,0,0]=4 1606 B8R1.4 Cc1cccc(n1)F 1P003HRV [0,1,0,0,0,1|2,0,0]=4 1607 B8R1.4 Cc1cccc(n1)I 1P00EAYX [0,1,0,0,0,1|2,0,0]=4 1608 B8R1.4 Cc1cccc(n1)N 1P0024B7 [0,1,0,0,0,1|2,0,0]=4 1609 B8R1.4 Cc1cccc(n1)S 1P003HYW [0,1,0,0,0,1|2,0,0]=4 1610 B8R1.4 Cc1ccnc(=O)[nH]1 1P0033T2 [0,1,0,0,0,1|1,0,0]=3 1611 B8R1.4 Cc1ccnc(c1)Br 1P003H5D [0,1,0,0,0,1|1,0,0]=3 1612 B8R1.4 Cc1ccnc(c1)C 1P0039FY [0,1,0,0,0,1|1,0,0]=3 1613 B8R1.4 Cc1ccnc(c1)Cl 1P003HEL [0,1,0,0,0,1|1,0,0]=3 1614 B8R1.4 Cc1ccnc(c1)F 1P003HQB [0,1,0,0,0,1|1,0,0]=3 1615 B8R1.4 Cc1ccnc(c1)I 1P00BG0M [0,1,0,0,0,1|1,0,0]=3 1616 B8R1.4 Cc1ccnc(c1)N 1P003GW8 [0,1,0,0,0,1|1,0,0]=3 1617 B8R1.4 Cc1ccnc(c1)O 1P003HVA [0,1,0,0,0,1|1,0,0]=3 1618 B8R1.4 Cc1ccnc(c1)S 1P0076M3 [0,1,0,0,0,1|1,0,0]=3 1619 B8R1.4 Cc1ccnc(n1)Br 1P000V75 [0,1,0,0,0,1|1,0,0]=3 1620 B8R1.4 Cc1ccnc(n1)C 1P009I3B [0,1,0,0,0,1|1,0,0]=3 1621 B8R1.4 Cc1ccnc(n1)Cl 1P000URR [0,1,0,0,0,1|1,0,0]=3 1622 B8R1.4 Cc1ccnc(n1)I 1P000P6W [0,1,0,0,0,1|1,0,0]=3 1623 B8R1.4 Cc1ccnc(n1)N 1P003GW9 [0,1,0,0,0,1|1,0,0]=3 1624 B8R1.4 Cc1ccnc(n1)O 1P006UK2 [0,1,0,0,0,1|1,0,0]=3 1625 B8R1.4 Cc1ccnc(n1)S 1P00CI6Y [0,1,0,0,0,1|1,0,0]=3 1626 B8R1.4 Cc1cncc(=O)[nH]1 1P002JD9 [0,1,0,0,0,1|1,0,0]=3 1627 B8R1.4 Cc1cncc(c1)Br 1P00I78L [0,1,0,0,0,1|1,0,0]=3 1628 B8R1.4 Cc1cncc(c1)C 1P00IAZ1 [0,1,0,0,0,1|1,0,0]=3 1629 B8R1.4 Cc1cncc(c1)Cl 1P002GA6 [0,1,0,0,0,1|1,0,0]=3 1630 B8R1.4 Cc1cncc(c1)F 1P003JXJ [0,1,0,0,0,1|1,0,0]=3 1631 B8R1.4 Cc1cncc(c1)I 1P00AKYW [0,1,0,0,0,1|1,0,0]=3 1632 B8R1.4 Cc1cncc(c1)N 1P00BYXN [0,1,0,0,0,1|1,0,0]=3 1633 B8R1.4 Cc1cncc(c1)N 1P00H8HS [0,1,0,0,0,1|1,0,0]=3 1634 B8R1.4 Cc1cncc(c1)O 1P00346N [0,1,0,0,0,1|1,0,0]=3 1635 B8R1.4 Cc1cncc(n1)Br 1P00GSY8 [0,1,0,0,0,1|1,0,0]=3 1636 B8R1.4 Cc1cncc(n1)C 1P003GMF [0,1,0,0,0,1|1,0,0]=3 1637 B8R1.4 Cc1cncc(n1)Cl 1P003HHN [0,1,0,0,0,1|1,0,0]=3 1638 B8R1.4 Cc1cncc(n1)F 1P0286PL [0,1,0,0,0,1|1,0,0]=3 1639 B8R1.4 Cc1cncc(n1)N 1P003GZE [0,1,0,0,0,1|1,0,0]=3 1640 B8R1.4 Cc1cnnc(c1)Cl 1P00414T [0,1,0,0,0,1|0,0,1]=3 1641 B8R1.4 Cc1cnnc(c1)I 1P01DZB7 [0,1,0,0,0,1|0,0,1]=3 1642 B8R1.4 Cc1cnnc(c1)N 1P001JQC [0,1,0,0,0,1|0,0,1]=3 1643 B8R1.4 Cc1cnnc(n1)N 1P00F45K [0,1,0,0,0,1|0,0,1]=3 1644 B8R1.4 Cc1nc[nH]c(=O)c1 1P00BXVE [0,1,0,0,0,1|1,0,0]=3 1645 B8R1.4 Cc1nc[nH]c(=O)c1 1P027YSW [0,1,0,0,0,1|1,0,0]=3 1646 B8R1.4 Cc1nc[nH]c(=S)c1 1P00DYAU [0,1,0,0,0,1|1,0,0]=3 1647 B8R1.4 Cc1nccc(=N)[nH]1 1P00GATC [0,1,0,0,0,1|2,0,0]=4 1648 B8R1.4 Cc1nccc(=O)[nH]1 1P002C6Y [0,1,0,0,0,1|2,0,0]=4 1649 B8R1.4 Cc1ncnc(c1)Br 1P00375E [0,1,0,0,0,1|1,0,0]=3 1650 B8R1.4 Cc1ncnc(c1)C 1P001OOH [0,1,0,0,0,1|1,0,0]=3 1651 B8R1.4 Cc1ncnc(c1)Cl 1P0034KF [0,1,0,0,0,1|1,0,0]=3 1652 B8R1.4 Cc1ncnc(c1)I 1P01ALSV [0,1,0,0,0,1|1,0,0]=3 1653 B8R1.4 Cc1ncnc(c1)N 1P00I78P [0,1,0,0,0,1|1,0,0]=3 1654 B8R1.4 Cc1ncnc(c1)O 1P001PCL [0,1,0,0,0,1|1,0,0]=3 1655 B8R1.4 Cc1ncnc(n1)Cl 1P00DJSL [0,1,0,0,0,1|2,0,0]=4 1656 B8R1.4 Cc1ncnc(n1)N 1P00CEV9 [0,1,0,0,0,1|2,0,0]=4 1657 B8R1.4 Clc1cc(=O)[nH]nc1 1P003N5G [0,1,0,0,0,1|1,0,0]=3 1658 B8R1.4 Clc1cc[nH]c(=O)n1 1P00G8FV [0,1,0,0,0,1|2,0,0]=4 1659 B8R1.4 Clc1ccnc(c1)Br 1P002LYR [0,1,0,0,0,1|2,0,0]=4 1660 B8R1.4 Clc1ccnc(c1)C 1P003LKU [0,1,0,0,0,1|2,0,0]=4 1661 B8R1.4 Clc1ccnc(c1)Cl 1P002TQX [0,1,0,0,0,1|2,0,0]=4 1662 B8R1.4 Clc1ccnc(c1)F 1P00BZZP [0,1,0,0,0,1|2,0,0]=4 1663 B8R1.4 Clc1ccnc(c1)I 1P002LYQ [0,1,0,0,0,1|2,0,0]=4 1664 B8R1.4 Clc1ccnc(c1)N 1P002BO7 [0,1,0,0,0,1|2,0,0]=4 1665 B8R1.4 Clc1ccnc(c1)O 1P00397T [0,1,0,0,0,1|2,0,0]=4 1666 B8R1.4 Clc1ccnc(n1)Br 1P0036RF [0,1,0,0,0,1|2,0,0]=4 1667 B8R1.4 Clc1ccnc(n1)C 1P00D9MU [0,1,0,0,0,1|2,0,0]=4 1668 B8R1.4 Clc1ccnc(n1)Cl 1P0033FY [0,1,0,0,0,1|2,0,0]=4 1669 B8R1.4 Clc1ccnc(n1)F 1P00E2DY [0,1,0,0,0,1|2,0,0]=4 1670 B8R1.4 Clc1ccnc(n1)I 1P01FHUV [0,1,0,0,0,1|2,0,0]=4 1671 B8R1.4 Clc1ccnc(n1)N 1P00I8AQ [0,1,0,0,0,1|2,0,0]=4 1672 B8R1.4 Clc1cncc(=O)[nH]1 1P003HHB [0,1,0,0,0,1|2,0,0]=4 1673 B8R1.4 Clc1cncc(c1)Br 1P003433 [0,1,0,0,0,1|2,0,0]=4 1674 B8R1.4 Clc1cncc(c1)Cl 1P002P2J [0,1,0,0,0,1|2,0,0]=4 1675 B8R1.4 Clc1cncc(c1)I 1P003JQ7 [0,1,0,0,0,1|2,0,0]=4 1676 B8R1.4 Clc1cncc(n1)Br 1P006EX9 [0,1,0,0,0,1|2,0,0]=4 1677 B8R1.4 Clc1cncc(n1)Cl 1P0033I0 [0,1,0,0,0,1|2,0,0]=4 1678 B8R1.4 Clc1cncc(n1)I 1P01DU8C [0,1,0,0,0,1|2,0,0]=4 1679 B8R1.4 Clc1cnnc(c1)Br 1P01UQHM [0,1,0,0,0,1|1,0,1]=4 1680 B8R1.4 Clc1cnnc(c1)C 1P01PAXQ [0,1,0,0,0,1|1,0,1]=4 1681 B8R1.4 Clc1cnnc(c1)Cl 1P0033ZZ [0,1,0,0,0,1|1,0,1]=4 1682 B8R1.4 Clc1cnnc(c1)N 1P000WT2 [0,1,0,0,0,1|1,0,1]=4 1683 B8R1.4 Clc1nccc(=O)[nH]1 1P003A7W [0,1,0,0,0,1|2,0,0]=4 1684 B8R1.4 Clc1ncnc(c1)Cl 1P000IZZ [0,1,0,0,0,1|2,0,0]=4 1685 B8R1.4 Clc1ncnc(c1)I 1P00C1IX [0,1,0,0,0,1|2,0,0]=4 1686 B8R1.4 Fc1cc(=O)[nH]nc1 1P01B7XD [0,1,0,0,0,1|1,0,0]=3 1687 B8R1.4 Fc1cc[nH]c(=O)c1 1P005UC3 [0,1,0,0,0,1|2,0,0]=4 1688 B8R1.4 Fc1ccnc(c1)Br 1P0033M2 [0,1,0,0,0,1|2,0,0]=4 1689 B8R1.4 Fc1ccnc(c1)C 1P0038X5 [0,1,0,0,0,1|2,0,0]=4 1690 B8R1.4 Fc1ccnc(c1)Cl 1P003HDV [0,1,0,0,0,1|2,0,0]=4 1691 B8R1.4 Fc1ccnc(c1)F 1P00BXW3 [0,1,0,0,0,1|2,0,0]=4 1692 B8R1.4 Fc1ccnc(c1)I 1P01XDP3 [0,1,0,0,0,1|2,0,0]=4 1693 B8R1.4 Fc1ccnc(c1)N 1P003GVZ [0,1,0,0,0,1|2,0,0]=4 1694 B8R1.4 Fc1ccnc(c1)N 1P01B5I0 [0,1,0,0,0,1|2,0,0]=4 1695 B8R1.4 Fc1ccnc(n1)Br 1P0097AB [0,1,0,0,0,1|2,0,0]=4 1696 B8R1.4 Fc1ccnc(n1)Cl 1P00CJAP [0,1,0,0,0,1|2,0,0]=4 1697 B8R1.4 Fc1ccnc(n1)F 1P00BDNZ [0,1,0,0,0,1|2,0,0]=4 1698 B8R1.4 Fc1ccnc(n1)N 1P00IKAG [0,1,0,0,0,1|2,0,0]=4 1699 B8R1.4 Fc1cncc(c1)Br 1P0032QZ [0,1,0,0,0,1|2,0,0]=4 1700 B8R1.4 Fc1cncc(c1)Cl 1P006W8W [0,1,0,0,0,1|2,0,0]=4 1701 B8R1.4 Fc1cncc(c1)F 1P003J3V [0,1,0,0,0,1|2,0,0]=4 1702 B8R1.4 Fc1cncc(c1)I 1P00374U [0,1,0,0,0,1|2,0,0]=4 1703 B8R1.4 Fc1cncc(n1)Br 1P0093B4 [0,1,0,0,0,1|2,0,0]=4 1704 B8R1.4 Fc1cncc(n1)F 1P00CUWH [0,1,0,0,0,1|2,0,0]=4 1705 B8R1.4 Fc1cnnc(c1)Cl 1P028QZF [0,1,0,0,0,1|1,0,1]=4 1706 B8R1.4 Fc1cnnc(c1)F 1P028518 [0,1,0,0,0,1|1,0,1]=4 1707 B8R1.4 Fc1ncnc(c1)Br 1P023PKL [0,1,0,0,0,1|2,0,0]=4 1708 B8R1.4 Fc1ncnc(c1)Cl 1P00DGM1 [0,1,0,0,0,1|2,0,0]=4 1709 B8R1.4 Fc1ncnc(c1)F 1P00C1LC [0,1,0,0,0,1|2,0,0]=4 1710 B8R1.4 Ic1cc(=O)[nH]nc1 1P0038VR [0,1,0,0,0,1|1,0,0]=3 1711 B8R1.4 Ic1cc[nH]c(=O)c1 1P004XC8 [0,1,0,0,0,1|2,0,0]=4 1712 B8R1.4 Ic1ccnc(c1)Br 1P0002PW [0,1,0,0,0,1|2,0,0]=4 1713 B8R1.4 Ic1ccnc(c1)C 1P007PF1 [0,1,0,0,0,1|2,0,0]=4 1714 B8R1.4 Ic1ccnc(c1)Cl 1P0033ON [0,1,0,0,0,1|2,0,0]=4 1715 B8R1.4 Ic1ccnc(c1)F 1P0033RQ [0,1,0,0,0,1|2,0,0]=4 1716 B8R1.4 Ic1ccnc(c1)I 1P0056X9 [0,1,0,0,0,1|2,0,0]=4 1717 B8R1.4 Ic1ccnc(c1)N 1P00DGDV [0,1,0,0,0,1|2,0,0]=4 1718 B8R1.4 Ic1ccnc(n1)Br 1P00HAJK [0,1,0,0,0,1|2,0,0]=4 1719 B8R1.4 Ic1ccnc(n1)C 1P00IDV7 [0,1,0,0,0,1|2,0,0]=4 1720 B8R1.4 Ic1ccnc(n1)Cl 1P00I88J [0,1,0,0,0,1|2,0,0]=4 1721 B8R1.4 Ic1ccnc(n1)F 1P01DZGE [0,1,0,0,0,1|2,0,0]=4 1722 B8R1.4 Ic1ccnc(n1)I 1P002SUH [0,1,0,0,0,1|2,0,0]=4 1723 B8R1.4 Ic1ccnc(n1)N 1P005234 [0,1,0,0,0,1|2,0,0]=4 1724 B8R1.4 Ic1cncc(c1)I 1P00DGOK [0,1,0,0,0,1|2,0,0]=4 1725 B8R1.4 Ic1cncc(n1)I 1P00EA5L [0,1,0,0,0,1|2,0,0]=4 1726 B8R1.4 Ic1cnnc(c1)I 1P01RZ34 [0,1,0,0,0,1|1,0,1]=4 1727 B8R1.4 Ic1ncnc(c1)I 1P00AQN3 [0,1,0,0,0,1|2,0,0]=4 1728 B8R1.4 N=c1cc[nH]c(=N)[nH]1 1P00HYTN [0,1,0,0,0,1|2,0,0]=4 1729 B8R1.4 Nc1cc(=O)[nH]nc1 1P00436N [0,1,0,0,0,1|1,0,0]=3 1730 B8R1.4 Nc1cc[nH]c(=O)c1 1P00I85D [0,1,0,0,0,1|2,0,0]=4 1731 B8R1.4 Nc1ccnc(=O)[nH]1 1P003551 [0,1,0,0,0,1|2,0,0]=4 1732 B8R1.4 Nc1ccnc(c1)Br 1P008PDO [0,1,0,0,0,1|2,0,0]=4 1733 B8R1.4 Nc1ccnc(c1)C 1P003L5H [0,1,0,0,0,1|2,0,0]=4 1734 B8R1.4 Nc1ccnc(c1)Cl 1P001JSL [0,1,0,0,0,1|2,0,0]=4 1735 B8R1.4 Nc1ccnc(c1)F 1P0076RG [0,1,0,0,0,1|2,0,0]=4 1736 B8R1.4 Nc1ccnc(c1)I 1P0049B4 [0,1,0,0,0,1|2,0,0]=4 1737 B8R1.4 Nc1ccnc(c1)N 1P003UIZ [0,1,0,0,0,1|2,0,0]=4 1738 B8R1.4 Nc1ccnc(c1)O 1P00EJV9 [0,1,0,0,0,1|2,0,0]=4 1739 B8R1.4 Nc1ccnc(n1)Br 1P000C3K [0,1,0,0,0,1|2,0,0]=4 1740 B8R1.4 Nc1ccnc(n1)C 1P005AMT [0,1,0,0,0,1|2,0,0]=4 1741 B8R1.4 Nc1ccnc(n1)Cl 1P0034CS [0,1,0,0,0,1|2,0,0]=4 1742 B8R1.4 Nc1ccnc(n1)F 1P006R5D [0,1,0,0,0,1|2,0,0]=4 1743 B8R1.4 Nc1ccnc(n1)S 1P00BYPV [0,1,0,0,0,1|2,0,0]=4 1744 B8R1.4 Nc1cn[nH]c(=O)n1 1P00H052 [0,1,0,0,0,1|1,0,0]=3 1745 B8R1.4 Nc1cncc(c1)Br 1P003MYS [0,1,0,0,0,1|2,0,0]=4 1746 B8R1.4 Nc1cncc(c1)Cl 1P00BDAV [0,1,0,0,0,1|2,0,0]=4 1747 B8R1.4 Nc1cncc(c1)F 1P002L2C [0,1,0,0,0,1|2,0,0]=4 1748 B8R1.4 Nc1cncc(c1)I 1P003NA0 [0,1,0,0,0,1|2,0,0]=4 1749 B8R1.4 Nc1cncc(c1)N 1P00396A [0,1,0,0,0,1|2,0,0]=4 1750 B8R1.4 Nc1cncc(c1)N 1P01EKHM [0,1,0,0,0,1|2,0,0]=4 1751 B8R1.4 Nc1cncc(c1)N 1P02836T [0,1,0,0,0,1|2,0,0]=4 1752 B8R1.4 Nc1cncc(c1)O 1P00I7HX [0,1,0,0,0,1|2,0,0]=4 1753 B8R1.4 Nc1cncc(n1)Br 1P0037JP [0,1,0,0,0,1|2,0,0]=4 1754 B8R1.4 Nc1cncc(n1)Cl 1P0033PC [0,1,0,0,0,1|2,0,0]=4 1755 B8R1.4 Nc1cncc(n1)F 1P019DIS [0,1,0,0,0,1|2,0,0]=4 1756 B8R1.4 Nc1cncc(n1)N 1P00137A [0,1,0,0,0,1|2,0,0]=4 1757 B8R1.4 Nc1cncc(n1)N 1P0033HL [0,1,0,0,0,1|2,0,0]=4 1758 B8R1.4 Nc1cncc(n1)O 1P009QDG [0,1,0,0,0,1|2,0,0]=4 1759 B8R1.4 Nc1cnnc(c1)Br 1P019GEG [0,1,0,0,0,1|1,0,1]=4 1760 B8R1.4 Nc1cnnc(c1)C 1P01C6ZT [0,1,0,0,0,1|1,0,1]=4 1761 B8R1.4 Nc1cnnc(c1)Cl 1P002VSC [0,1,0,0,0,1|1,0,1]=4 1762 B8R1.4 Nc1cnnc(c1)F 1P028YQV [0,1,0,0,0,1|1,0,1]=4 1763 B8R1.4 Nc1cnnc(c1)I 1P028VLK [0,1,0,0,0,1|1,0,1]=4 1764 B8R1.4 Nc1cnnc(c1)N 1P028087 [0,1,0,0,0,1|1,0,1]=4 1765 B8R1.4 Nc1cnnc(n1)C 1P009T5V [0,1,0,0,0,1|1,0,1]=4 1766 B8R1.4 Nc1nc(=O)cc[nH]1 1P003RKF [0,1,0,0,0,1|2,0,0]=4 1767 B8R1.4 Nc1nc[nH]c(=N)c1 1P00G2XU [0,1,0,0,0,1|2,0,0]=4 1768 B8R1.4 Nc1nc[nH]c(=O)c1 1P000IZY [0,1,0,0,0,1|2,0,0]=4 1769 B8R1.4 Nc1ncnc(c1)Br 1P000HR2 [0,1,0,0,0,1|2,0,0]=4 1770 B8R1.4 Nc1ncnc(c1)Cl 1P0034D5 [0,1,0,0,0,1|2,0,0]=4 1771 B8R1.4 Nc1ncnc(c1)F 1P00E2DW [0,1,0,0,0,1|2,0,0]=4 1772 B8R1.4 Nc1ncnc(c1)I 1P00DJJO [0,1,0,0,0,1|2,0,0]=4 1773 B8R1.4 Nc1ncnc(c1)N 1P003KZL [0,1,0,0,0,1|2,0,0]=4 1774 B8R1.4 O=C1CC=NC(=C1)Cl 1P00AOZG [0,1,0,0,0,1|2,0,0]=4 1775 B8R1.4 O=C1CCC=C(O1)C 1P00C0V1 [0,1,0,0,0,1|2,0,0]=4 1776 B8R1.4 O=C1NC=CC(=O)C1 1P01KKXV [0,1,0,0,0,1|2,0,0]=4 1777 B8R1.4 O=c1cc[15nH][13c](=O)[15nH]1 1P0023EO [0,1,0,0,0,1|2,0,0]=4 1778 B8R1.4 O=c1cc[nH]c(=O)[nH]1 1P00368Z [0,1,0,0,0,1|2,0,0]=4 1779 B8R1.4 O=c1cc[nH]c(=S)[nH]1 1P001G6U [0,1,0,0,0,1|2,0,0]=4 1780 B8R1.4 O=c1cc[nH]c(=[Se])[nH]1 1P00B386 [0,1,0,0,0,1|2,0,0]=4 1781 B8R1.4 O=c1cc[nH]c(c1)Br 1P00DRAQ [0,1,0,0,0,1|2,0,0]=4 1782 B8R1.4 O=c1ccoc(c1)C 1P00F0CB [0,1,0,0,0,1|2,0,0]=4 1783 B8R1.4 O=c1cn[nH]c(=S)[nH]1 1P00EBQT [0,1,0,0,0,1|1,0,0]=3 1784 B8R1.4 O=c1cn[nH]c(n1)N 1P01A4A6 [0,1,0,0,0,1|1,0,0]=3 1785 B8R1.4 O=c1nc[nH]c(c1)Br 1P0038G2 [0,1,0,0,0,1|2,0,0]=4 1786 B8R1.4 O=c1nc[nH]c(c1)Cl 1P0038AD [0,1,0,0,0,1|2,0,0]=4 1787 B8R1.4 O=c1nc[nH]c(c1)S 1P00IBM4 [0,1,0,0,0,1|2,0,0]=4 1788 B8R1.4 Oc1cc[nH]c(=O)c1 1P00IM7P [0,1,0,0,0,1|2,0,0]=4 1789 B8R1.4 Oc1ccnc(c1)Br 1P0037ZM [0,1,0,0,0,1|2,0,0]=4 1790 B8R1.4 Oc1ccnc(c1)C 1P0034IL [0,1,0,0,0,1|2,0,0]=4 1791 B8R1.4 Oc1ccnc(c1)Cl 1P001ZK8 [0,1,0,0,0,1|2,0,0]=4 1792 B8R1.4 Oc1ccnc(c1)F 1P007PF0 [0,1,0,0,0,1|2,0,0]=4 1793 B8R1.4 Oc1ccnc(c1)N 1P003GW0 [0,1,0,0,0,1|2,0,0]=4 1794 B8R1.4 Oc1ccnc(c1)N 1P003GW1 [0,1,0,0,0,1|2,0,0]=4 1795 B8R1.4 Oc1ccnc(c1)O 1P003GA0 [0,1,0,0,0,1|2,0,0]=4 1796 B8R1.4 Oc1ccnc(n1)C 1P0062KT [0,1,0,0,0,1|2,0,0]=4 1797 B8R1.4 Oc1ccnc(n1)C 1P01KJLN [0,1,0,0,0,1|2,0,0]=4 1798 B8R1.4 Oc1ccnc(n1)N 1P000310 [0,1,0,0,0,1|2,0,0]=4 1799 B8R1.4 Oc1cncc(c1)Br 1P003436 [0,1,0,0,0,1|2,0,0]=4 1800 B8R1.4 Oc1cncc(c1)Cl 1P003N4S [0,1,0,0,0,1|2,0,0]=4 1801 B8R1.4 Oc1cncc(c1)F 1P002KMO [0,1,0,0,0,1|2,0,0]=4 1802 B8R1.4 Oc1cncc(c1)I 1P00BGNK [0,1,0,0,0,1|2,0,0]=4 1803 B8R1.4 Oc1cncc(c1)O 1P00C79T [0,1,0,0,0,1|2,0,0]=4 1804 B8R1.4 Oc1cncc(n1)Br 1P01DX73 [0,1,0,0,0,1|2,0,0]=4 1805 B8R1.4 Oc1cnnc(c1)Cl 1P001H43 [0,1,0,0,0,1|1,0,1]=4 1806 B8R1.4 Oc1cnnc(c1)O 1P00AMX3 [0,1,0,0,0,1|1,0,1]=4 1807 B8R1.4 Oc1cnnc(n1)O 1P003DRS [0,1,0,0,0,1|1,0,1]=4 1808 B8R1.4 Oc1nc[nH]c(=O)c1 1P000IZX [0,1,0,0,0,1|2,0,0]=4 1809 B8R1.4 S=c1cc[nH]c(=O)[nH]1 1P0034M8 [0,1,0,0,0,1|2,0,0]=4 1810 B8R1.4 S=c1cc[nH]c(=S)[nH]1 1P002D01 [0,1,0,0,0,1|2,0,0]=4 1811 B8R1.4 Sc1cc[nH]c(=O)c1 1P0282DR [0,1,0,0,0,1|2,0,0]=4 1812 B8R1.4 Sc1cncc(c1)Br 1P00DKMY [0,1,0,0,0,1|2,0,0]=4 1813 B8R1.4 Sc1cncc(c1)Br 1P01XDEC [0,1,0,0,0,1|2,0,0]=4 1814 B8R1.4 [O-][n+]1cccc(c1)C 1P0001YU [0,1,0,0,0,1|1,0,1]=4 1815 B8R1.4 [O-]c1ccnc(n1)Cl 1P027ULQ [0,1,0,0,0,1|2,0,0]=4 1816 B8R1.4 [S-]c1ccnc(c1)C 1P01FLFM [0,1,0,0,0,1|2,0,0]=4 1817 B8R1.5 Brc1cccnc1C 1P00342P [0,1,0,0,0,1|2,0,0]=4 1818 B8R1.5 Brc1cccnc1Cl 1P0033O3 [0,1,0,0,0,1|2,0,0]=4 1819 B8R1.5 Brc1cccnc1F 1P00I7MV [0,1,0,0,0,1|2,0,0]=4 1820 B8R1.5 Brc1cccnc1I 1P00BZY8 [0,1,0,0,0,1|2,0,0]=4 1821 B8R1.5 Brc1cccnc1N 1P006ZHT [0,1,0,0,0,1|2,0,0]=4 1822 B8R1.5 Brc1cccnc1O 1P00342L [0,1,0,0,0,1|2,0,0]=4 1823 B8R1.5 Brc1cccnc1S 1P00FGR1 [0,1,0,0,0,1|2,0,0]=4 1824 B8R1.5 Brc1ccncc1I 1P0069LC [0,1,0,0,0,1|2,0,0]=4 1825 B8R1.5 Brc1ccnnc1C 1P028Z3K [0,1,0,0,0,1|1,0,1]=4 1826 B8R1.5 Brc1cnc[nH]c1=O 1P002BR3 [0,1,0,0,0,1|1,0,0]=3 1827 B8R1.5 Brc1cnc[nH]c1=O 1P006DLU [0,1,0,0,0,1|1,0,0]=3 1828 B8R1.5 Brc1cnccc1Br 1P006ZPB [0,1,0,0,0,1|2,0,0]=4 1829 B8R1.5 Brc1cnccc1Br 1P028AT2 [0,1,0,0,0,1|2,0,0]=4 1830 B8R1.5 Brc1cnccc1I 1P0036Q5 [0,1,0,0,0,1|2,0,0]=4 1831 B8R1.5 Brc1cncnc1C 1P007YVW [0,1,0,0,0,1|1,0,0]=3 1832 B8R1.5 Brc1cncnc1Cl 1P00172I [0,1,0,0,0,1|1,0,1]=4 1833 B8R1.5 Brc1cncnc1Cl 1P0037J3 [0,1,0,0,0,1|1,0,1]=4 1834 B8R1.5 Brc1cncnc1F 1P028WZH [0,1,0,0,0,1|1,0,1]=4 1835 B8R1.5 Brc1cncnc1N 1P007YVV [0,1,0,0,0,1|1,0,1]=4 1836 B8R1.5 Brc1cnncc1Br 1P0167G8 [0,1,0,0,0,1|1,0,1]=4 1837 B8R1.5 Brc1ncccc1Br 1P0033E8 [0,1,0,0,0,1|2,0,0]=4 1838 B8R1.5 Brc1nccnc1Br 1P006D3R [0,1,0,0,0,1|2,0,0]=4 1839 B8R1.5 CC1=C(Br)CCNC1 1P028Z5K [0,1,0,0,0,1|1,0,1]=4 1840 B8R1.5 CC1=C(Br)CNCC1 1P01BI13 [0,1,0,0,0,1|1,0,1]=4 1841 B8R1.5 CC1=C(C)CCNC1 1P01BHWG [0,1,0,0,0,1|1,0,1]=4 1842 B8R1.5 CC1=C(C)CNNC1 1P0282F7 [0,1,0,0,0,1|0,0,2]=4 1843 B8R1.5 CC1=C(F)CNCC1 1P027W4X [0,1,0,0,0,1|1,0,1]=4 1844 B8R1.5 CC1=NCCN=C1C 1P001RXR [0,1,0,0,0,1|1,0,1]=4 1845 B8R1.5 C[n+]1cccnc1N 1P01EX4U [0,1,0,0,0,1|2,0,0]=4 1846 B8R1.5 Cc1cccc[n+]1C 1P008F0C [0,1,0,0,0,1|2,0,0]=4 1847 B8R1.5 Cc1cccc[n+]1N 1P005AF9 [0,1,0,0,0,1|2,0,0]=4 1848 B8R1.5 Cc1cccc[n+]1[O-] 1P0033W7 [0,1,0,0,0,1|2,0,0]=4 1849 B8R1.5 Cc1ccccc1Br 1P0033NP [0,1,0,0,0,1|2,0,0]=4 1850 B8R1.5 Cc1ccccc1Cl 1P0060OI [0,1,0,0,0,1|2,0,0]=4 1851 B8R1.5 Cc1ccccc1F 1P0060O5 [0,1,0,0,0,1|2,0,0]=4 1852 B8R1.5 Cc1ccccc1I 1P003HXP [0,1,0,0,0,1|2,0,0]=4 1853 B8R1.5 Cc1ccccc1N 1P003TYU [0,1,0,0,0,1|2,0,0]=4 1854 B8R1.5 Cc1ccccc1O 1P005GSC [0,1,0,0,0,1|2,0,0]=4 1855 B8R1.5 Cc1ccccc1S 1P001358 [0,1,0,0,0,1|2,0,0]=4 1856 B8R1.5 Cc1cccnc1Br 1P003H3T [0,1,0,0,0,1|1,0,0]=3 1857 B8R1.5 Cc1cccnc1Cl 1P003HCR [0,1,0,0,0,1|1,0,0]=3 1858 B8R1.5 Cc1cccnc1F 1P002OMV [0,1,0,0,0,1|1,0,0]=3 1859 B8R1.5 Cc1cccnc1I 1P006ZIM [0,1,0,0,0,1|1,0,0]=3 1860 B8R1.5 Cc1cccnc1N 1P003GUI [0,1,0,0,0,1|1,0,0]=3 1861 B8R1.5 Cc1cccnc1O 1P006L3K [0,1,0,0,0,1|1,0,0]=3 1862 B8R1.5 Cc1ccn[nH]c1=O 1P00C094 [0,1,0,0,0,1|0,0,0]=2 1863 B8R1.5 Cc1ccncc1Br 1P00342Z [0,1,0,0,0,1|1,0,0]=3 1864 B8R1.5 Cc1ccncc1Cl 1P00344K [0,1,0,0,0,1|1,0,0]=3 1865 B8R1.5 Cc1ccncc1F 1P00I8AH [0,1,0,0,0,1|1,0,0]=3 1866 B8R1.5 Cc1ccncc1I 1P00CHQ4 [0,1,0,0,0,1|1,0,0]=3 1867 B8R1.5 Cc1ccncc1N 1P00341P [0,1,0,0,0,1|1,0,0]=3 1868 B8R1.5 Cc1ccncc1O 1P003K0L [0,1,0,0,0,1|1,0,0]=3 1869 B8R1.5 Cc1ccnnc1Br 1P001H7G [0,1,0,0,0,1|0,0,1]=3 1870 B8R1.5 Cc1ccnnc1Cl 1P005MDO [0,1,0,0,0,1|0,0,1]=3 1871 B8R1.5 Cc1ccnnc1N 1P003JCM [0,1,0,0,0,1|0,0,1]=3 1872 B8R1.5 Cc1cnccc1Br 1P0034EI [0,1,0,0,0,1|1,0,0]=3 1873 B8R1.5 Cc1cnccc1Br 1P00HF33 [0,1,0,0,0,1|1,0,0]=3 1874 B8R1.5 Cc1cnccc1C 1P00E9VT [0,1,0,0,0,1|1,0,0]=3 1875 B8R1.5 Cc1cnccc1Cl 1P001Y9Y [0,1,0,0,0,1|1,0,0]=3 1876 B8R1.5 Cc1cnccc1Cl 1P003LLP [0,1,0,0,0,1|1,0,0]=3 1877 B8R1.5 Cc1cnccc1F 1P002VYO [0,1,0,0,0,1|1,0,0]=3 1878 B8R1.5 Cc1cnccc1I 1P01ELGO [0,1,0,0,0,1|1,0,0]=3 1879 B8R1.5 Cc1cnccc1N 1P002CC8 [0,1,0,0,0,1|1,0,0]=3 1880 B8R1.5 Cc1cnccc1O 1P00347V [0,1,0,0,0,1|1,0,0]=3 1881 B8R1.5 Cc1cncnc1Br 1P000P75 [0,1,0,0,0,1|0,0,1]=3 1882 B8R1.5 Cc1cncnc1Cl 1P00DB4W [0,1,0,0,0,1|0,0,1]=3 1883 B8R1.5 Cc1cncnc1N 1P0037ZT [0,1,0,0,0,1|0,0,1]=3 1884 B8R1.5 Cc1cncnc1O 1P007URT [0,1,0,0,0,1|0,0,1]=3 1885 B8R1.5 Cc1cnncc1N 1P00H51F [0,1,0,0,0,1|0,0,1]=3 1886 B8R1.5 Cc1cnncc1N 1P01KY6Y [0,1,0,0,0,1|0,0,1]=3 1887 B8R1.5 Cc1ncccc1C 1P003G1A [0,1,0,0,0,1|1,0,0]=3 1888 B8R1.5 Cc1nccnc1Br 1P003H3S [0,1,0,0,0,1|1,0,0]=3 1889 B8R1.5 Cc1nccnc1C 1P003G19 [0,1,0,0,0,1|1,0,0]=3 1890 B8R1.5 Cc1nccnc1Cl 1P0033O7 [0,1,0,0,0,1|1,0,0]=3 1891 B8R1.5 Cc1nccnc1F 1P028HOG [0,1,0,0,0,1|1,0,0]=3 1892 B8R1.5 Cc1nccnc1I 1P00EGD2 [0,1,0,0,0,1|1,0,0]=3 1893 B8R1.5 Cc1nccnc1N 1P002BXP [0,1,0,0,0,1|1,0,0]=3 1894 B8R1.5 Cc1nccnc1N 1P01FJXT [0,1,0,0,0,1|1,0,0]=3 1895 B8R1.5 Cc1nnccc1C 1P01AMA9 [0,1,0,0,0,1|0,0,1]=3 1896 B8R1.5 Cc1nncnc1O 1P00HZ45 [0,1,0,0,0,1|1,0,1]=4 1897 B8R1.5 Clc1cccnc1Br 1P0033LM [0,1,0,0,0,1|2,0,0]=4 1898 B8R1.5 Clc1cccnc1C 1P008RBW [0,1,0,0,0,1|2,0,0]=4 1899 B8R1.5 Clc1cccnc1F 1P003JNM [0,1,0,0,0,1|2,0,0]=4 1900 B8R1.5 Clc1cccnc1I 1P0036XU [0,1,0,0,0,1|2,0,0]=4 1901 B8R1.5 Clc1cccnc1N 1P003GU5 [0,1,0,0,0,1|2,0,0]=4 1902 B8R1.5 Clc1cccnc1O 1P003JS9 [0,1,0,0,0,1|2,0,0]=4 1903 B8R1.5 Clc1cccnc1S 1P00EJOL [0,1,0,0,0,1|2,0,0]=4 1904 B8R1.5 Clc1ccn[nH]c1=O 1P001Y07 [0,1,0,0,0,1|1,0,0]=3 1905 B8R1.5 Clc1ccncc1Br 1P00238J [0,1,0,0,0,1|2,0,0]=4 1906 B8R1.5 Clc1ccncc1Br 1P0038DU [0,1,0,0,0,1|2,0,0]=4 1907 B8R1.5 Clc1ccncc1I 1P003LLL [0,1,0,0,0,1|2,0,0]=4 1908 B8R1.5 Clc1ccncc1I 1P01DMJT [0,1,0,0,0,1|2,0,0]=4 1909 B8R1.5 Clc1ccnnc1C 1P027OIV [0,1,0,0,0,1|1,0,1]=4 1910 B8R1.5 Clc1ccnnc1N 1P01JWN7 [0,1,0,0,0,1|1,0,1]=4 1911 B8R1.5 Clc1cnc[nH]c1=S 1P0288KI [0,1,0,0,0,1|1,0,0]=3 1912 B8R1.5 Clc1cnccc1Br 1P005Z31 [0,1,0,0,0,1|2,0,0]=4 1913 B8R1.5 Clc1cnccc1Cl 1P00DECZ [0,1,0,0,0,1|2,0,0]=4 1914 B8R1.5 Clc1cnccc1I 1P008NQC [0,1,0,0,0,1|2,0,0]=4 1915 B8R1.5 Clc1cncnc1Br 1P000SCL [0,1,0,0,0,1|1,0,1]=4 1916 B8R1.5 Clc1cncnc1C 1P00DF1Z [0,1,0,0,0,1|1,0,0]=3 1917 B8R1.5 Clc1cncnc1N 1P0004JZ [0,1,0,0,0,1|1,0,1]=4 1918 B8R1.5 Clc1cncnc1O 1P00DL92 [0,1,0,0,0,1|1,0,1]=4 1919 B8R1.5 Clc1cnncc1Cl 1P000MQH [0,1,0,0,0,1|1,0,1]=4 1920 B8R1.5 Clc1cnncc1Cl 1P00DCB3 [0,1,0,0,0,1|1,0,1]=4 1921 B8R1.5 Clc1ncccc1Cl 1P0033ED [0,1,0,0,0,1|2,0,0]=4 1922 B8R1.5 Clc1nccnc1Br 1P0093ET [0,1,0,0,0,1|2,0,0]=4 1923 B8R1.5 Clc1nccnc1Cl 1P003FYH [0,1,0,0,0,1|2,0,0]=4 1924 B8R1.5 Clc1nccnc1I 1P003BCW [0,1,0,0,0,1|2,0,0]=4 1925 B8R1.5 Clc1ncncc1Cl 1P0037HT [0,1,0,0,0,1|1,0,1]=4 1926 B8R1.5 Clc1nnccc1Cl 1P001Y06 [0,1,0,0,0,1|1,0,1]=4 1927 B8R1.5 Cn1cccnc1=S 1P01EXP3 [0,1,0,0,0,1|2,0,0]=4 1928 B8R1.5 FC1=C(C)C=C=C[N]1 1P00BYXD [0,1,0,0,0,1|1,0,1]=4 1929 B8R1.5 Fc1cccnc1Br 1P0033LP [0,1,0,0,0,1|2,0,0]=4 1930 B8R1.5 Fc1cccnc1C 1P001R2T [0,1,0,0,0,1|2,0,0]=4 1931 B8R1.5 Fc1cccnc1Cl 1P003HC6 [0,1,0,0,0,1|2,0,0]=4 1932 B8R1.5 Fc1cccnc1I 1P001E78 [0,1,0,0,0,1|2,0,0]=4 1933 B8R1.5 Fc1cccnc1N 1P003GU9 [0,1,0,0,0,1|2,0,0]=4 1934 B8R1.5 Fc1cccnc1O 1P003JVS [0,1,0,0,0,1|2,0,0]=4 1935 B8R1.5 Fc1ccncc1Br 1P000DU4 [0,1,0,0,0,1|2,0,0]=4 1936 B8R1.5 Fc1ccncc1Cl 1P00496H [0,1,0,0,0,1|2,0,0]=4 1937 B8R1.5 Fc1cnc[nH]c1=O 1P00377B [0,1,0,0,0,1|1,0,0]=3 1938 B8R1.5 Fc1cnccc1Br 1P000HQI [0,1,0,0,0,1|2,0,0]=4 1939 B8R1.5 Fc1cnccc1Br 1P00387U [0,1,0,0,0,1|2,0,0]=4 1940 B8R1.5 Fc1cnccc1Cl 1P000IW9 [0,1,0,0,0,1|2,0,0]=4 1941 B8R1.5 Fc1cnccc1Cl 1P0034G5 [0,1,0,0,0,1|2,0,0]=4 1942 B8R1.5 Fc1cnccc1F 1P0038VF [0,1,0,0,0,1|2,0,0]=4 1943 B8R1.5 Fc1cnccc1I 1P00345U [0,1,0,0,0,1|2,0,0]=4 1944 B8R1.5 Fc1cnccc1S 1P01DYY6 [0,1,0,0,0,1|2,0,0]=4 1945 B8R1.5 Fc1cncnc1Br 1P000285 [0,1,0,0,0,1|1,0,1]=4 1946 B8R1.5 Fc1cncnc1Cl 1P00BYYI [0,1,0,0,0,1|1,0,1]=4 1947 B8R1.5 Fc1cncnc1I 1P0285JN [0,1,0,0,0,1|1,0,1]=4 1948 B8R1.5 Fc1cncnc1N 1P00370Z [0,1,0,0,0,1|1,0,1]=4 1949 B8R1.5 Fc1ncccc1F 1P001NQA [0,1,0,0,0,1|2,0,0]=4 1950 B8R1.5 Fc1nccnc1Br 1P002IV2 [0,1,0,0,0,1|2,0,0]=4 1951 B8R1.5 Fc1nccnc1Cl 1P0285JV [0,1,0,0,0,1|2,0,0]=4 1952 B8R1.5 Fc1nccnc1F 1P00I9WA [0,1,0,0,0,1|2,0,0]=4 1953 B8R1.5 Fc1nccnc1I 1P00CG68 [0,1,0,0,0,1|2,0,0]=4 1954 B8R1.5 Fc1ncncc1F 1P0292X9 [0,1,0,0,0,1|1,0,1]=4 1955 B8R1.5 Ic1cccnc1Br 1P002UAK [0,1,0,0,0,1|2,0,0]=4 1956 B8R1.5 Ic1cccnc1C 1P001NKR [0,1,0,0,0,1|2,0,0]=4 1957 B8R1.5 Ic1cccnc1Cl 1P003HCE [0,1,0,0,0,1|2,0,0]=4 1958 B8R1.5 Ic1cccnc1F 1P000AOS [0,1,0,0,0,1|2,0,0]=4 1959 B8R1.5 Ic1cccnc1N 1P003K2I [0,1,0,0,0,1|2,0,0]=4 1960 B8R1.5 Ic1cccnc1O 1P008ZKZ [0,1,0,0,0,1|2,0,0]=4 1961 B8R1.5 Ic1cnccc1I 1P01KLJE [0,1,0,0,0,1|2,0,0]=4 1962 B8R1.5 Ic1cncnc1Br 1P001MPL [0,1,0,0,0,1|1,0,1]=4 1963 B8R1.5 Ic1cncnc1C 1P00H1F1 [0,1,0,0,0,1|1,0,0]=3 1964 B8R1.5 Ic1cncnc1Cl 1P0037F7 [0,1,0,0,0,1|1,0,1]=4 1965 B8R1.5 Ic1cncnc1F 1P027XFL [0,1,0,0,0,1|1,0,1]=4 1966 B8R1.5 Ic1cncnc1N 1P006NO5 [0,1,0,0,0,1|1,0,1]=4 1967 B8R1.5 Ic1cncnc1O 1P00DEV9 [0,1,0,0,0,1|1,0,1]=4 1968 B8R1.5 Ic1ncccc1I 1P003FZY [0,1,0,0,0,1|2,0,0]=4 1969 B8R1.5 Ic1nccnc1I 1P01K2EU [0,1,0,0,0,1|2,0,0]=4 1970 B8R1.5 Nc1cccnc1Br 1P003JB2 [0,1,0,0,0,1|2,0,0]=4 1971 B8R1.5 Nc1cccnc1C 1P00341I [0,1,0,0,0,1|2,0,0]=4 1972 B8R1.5 Nc1cccnc1Cl 1P003HBX [0,1,0,0,0,1|2,0,0]=4 1973 B8R1.5 Nc1cccnc1F 1P001RT2 [0,1,0,0,0,1|2,0,0]=4 1974 B8R1.5 Nc1cccnc1I 1P002KMR [0,1,0,0,0,1|2,0,0]=4 1975 B8R1.5 Nc1cccnc1O 1P00IB08 [0,1,0,0,0,1|2,0,0]=4 1976 B8R1.5 Nc1cccnc1O 1P01A8IE [0,1,0,0,0,1|2,0,0]=4 1977 B8R1.5 Nc1ccn[nH]c1=O 1P00DGSD [0,1,0,0,0,1|1,0,0]=3 1978 B8R1.5 Nc1ccncc1Br 1P0034CX [0,1,0,0,0,1|2,0,0]=4 1979 B8R1.5 Nc1ccncc1Cl 1P002BO8 [0,1,0,0,0,1|2,0,0]=4 1980 B8R1.5 Nc1ccncc1F 1P003L66 [0,1,0,0,0,1|2,0,0]=4 1981 B8R1.5 Nc1ccncc1I 1P003L6A [0,1,0,0,0,1|2,0,0]=4 1982 B8R1.5 Nc1ccncc1O 1P003AUC [0,1,0,0,0,1|2,0,0]=4 1983 B8R1.5 Nc1ccncc1O 1P003L68 [0,1,0,0,0,1|2,0,0]=4 1984 B8R1.5 Nc1ccncc1O 1P008WTQ [0,1,0,0,0,1|2,0,0]=4 1985 B8R1.5 Nc1ccnnc1C 1P01A5Q6 [0,1,0,0,0,1|1,0,1]=4 1986 B8R1.5 Nc1ccnnc1Cl 1P00DIBS [0,1,0,0,0,1|1,0,1]=4 1987 B8R1.5 Nc1cnc[nH]c1=O 1P0038XW [0,1,0,0,0,1|1,0,0]=3 1988 B8R1.5 Nc1cnccc1Br 1P00I532 [0,1,0,0,0,1|2,0,0]=4 1989 B8R1.5 Nc1cnccc1Cl 1P002ACF [0,1,0,0,0,1|2,0,0]=4 1990 B8R1.5 Nc1cnccc1F 1P01BBYC [0,1,0,0,0,1|2,0,0]=4 1991 B8R1.5 Nc1cnccc1I 1P0038HQ [0,1,0,0,0,1|2,0,0]=4 1992 B8R1.5 Nc1cnccc1N 1P003IW5 [0,1,0,0,0,1|2,0,0]=4 1993 B8R1.5 Nc1cnccc1O 1P00954L [0,1,0,0,0,1|2,0,0]=4 1994 B8R1.5 Nc1cnccc1S 1P00H1LW [0,1,0,0,0,1|2,0,0]=4 1995 B8R1.5 Nc1cncnc1Br 1P0053HJ [0,1,0,0,0,1|1,0,1]=4 1996 B8R1.5 Nc1cncnc1C 1P00C0LQ [0,1,0,0,0,1|1,0,0]=3 1997 B8R1.5 Nc1cncnc1Cl 1P00D9C5 [0,1,0,0,0,1|1,0,1]=4 1998 B8R1.5 Nc1cncnc1I 1P00H1KQ [0,1,0,0,0,1|1,0,1]=4 1999 B8R1.5 Nc1cncnc1O 1P008WYI [0,1,0,0,0,1|1,0,1]=4 2000 B8R1.5 Nc1cnncc1Br 1P00DICJ [0,1,0,0,0,1|1,0,1]=4 2001 B8R1.5 Nc1cnncc1Cl 1P0037TD [0,1,0,0,0,1|1,0,1]=4 2002 B8R1.5 Nc1cnncc1N 1P002WJ5 [0,1,0,0,0,1|1,0,1]=4 2003 B8R1.5 Nc1ncccc1N 1P00396H [0,1,0,0,0,1|2,0,0]=4 2004 B8R1.5 Nc1nccnc1Br 1P007P84 [0,1,0,0,0,1|2,0,0]=4 2005 B8R1.5 Nc1nccnc1Cl 1P003GU4 [0,1,0,0,0,1|2,0,0]=4 2006 B8R1.5 Nc1nccnc1F 1P019DIR [0,1,0,0,0,1|2,0,0]=4 2007 B8R1.5 Nc1nccnc1I 1P007G5N [0,1,0,0,0,1|2,0,0]=4 2008 B8R1.5 Nc1nccnc1N 1P000WG1 [0,1,0,0,0,1|2,0,0]=4 2009 B8R1.5 Nc1ncncc1N 1P001405 [0,1,0,0,0,1|1,0,1]=4 2010 B8R1.5 Nc1ncncc1N 1P01A7IH [0,1,0,0,0,1|1,0,1]=4 2011 B8R1.5 Nc1ncncc1N 1P01FYMI [0,1,0,0,0,1|1,0,1]=4 2012 B8R1.5 O=C1NCCC=C1Cl 1P002JUX [0,1,0,0,0,1|2,0,0]=4 2013 B8R1.5 O=c1[nH]cc[nH]c1=O 1P00IHXY [0,1,0,0,0,1|2,0,0]=4 2014 B8R1.5 O=c1[nH]cccc1C 1P0001Z2 [0,1,0,0,0,1|1,0,0]=3 2015 B8R1.5 O=c1[nH]cccc1I 1P01FPD4 [0,1,0,0,0,1|2,0,0]=4 2016 B8R1.5 O=c1[nH]cccc1N 1P003AA1 [0,1,0,0,0,1|2,0,0]=4 2017 B8R1.5 O=c1[nH]ccnc1C 1P002BXQ [0,1,0,0,0,1|1,0,0]=3 2018 B8R1.5 O=c1[nH]ccnc1C 1P01BCE2 [0,1,0,0,0,1|1,0,0]=3 2019 B8R1.5 O=c1[nH]ccnc1Cl 1P0096JP [0,1,0,0,0,1|2,0,0]=4 2020 B8R1.5 O=c1[nH]ccnc1N 1P003JEO [0,1,0,0,0,1|2,0,0]=4 2021 B8R1.5 O=c1cc[nH]cc1N 1P00IBMU [0,1,0,0,0,1|2,0,0]=4 2022 B8R1.5 Oc1c[nH]cnc1=O 1P01K5EN [0,1,0,0,0,1|1,0,0]=3 2023 B8R1.5 Oc1cccnc1Br 1P0033LQ [0,1,0,0,0,1|2,0,0]=4 2024 B8R1.5 Oc1cccnc1C 1P00346K [0,1,0,0,0,1|2,0,0]=4 2025 B8R1.5 Oc1cccnc1Cl 1P0033O5 [0,1,0,0,0,1|2,0,0]=4 2026 B8R1.5 Oc1cccnc1F 1P0020B6 [0,1,0,0,0,1|2,0,0]=4 2027 B8R1.5 Oc1cccnc1I 1P003HX4 [0,1,0,0,0,1|2,0,0]=4 2028 B8R1.5 Oc1cccnc1N 1P003GUC [0,1,0,0,0,1|2,0,0]=4 2029 B8R1.5 Oc1ccncc1Br 1P003JIN [0,1,0,0,0,1|2,0,0]=4 2030 B8R1.5 Oc1ccncc1Cl 1P003JOW [0,1,0,0,0,1|2,0,0]=4 2031 B8R1.5 Oc1ccncc1F 1P0036K6 [0,1,0,0,0,1|2,0,0]=4 2032 B8R1.5 Oc1ccncc1I 1P003K2J [0,1,0,0,0,1|2,0,0]=4 2033 B8R1.5 Oc1ccnnc1Cl 1P0014KA [0,1,0,0,0,1|1,0,1]=4 2034 B8R1.5 Oc1ccnnc1N 1P002QN4 [0,1,0,0,0,1|1,0,1]=4 2035 B8R1.5 Oc1cnc[nH]c1=N 1P00DIFU [0,1,0,0,0,1|1,0,0]=3 2036 B8R1.5 Oc1cnc[nH]c1=O 1P001QMI [0,1,0,0,0,1|1,0,0]=3 2037 B8R1.5 Oc1cnccc1Br 1P001SX1 [0,1,0,0,0,1|2,0,0]=4 2038 B8R1.5 Oc1cnccc1Cl 1P0034G7 [0,1,0,0,0,1|2,0,0]=4 2039 B8R1.5 Oc1cnccc1I 1P002H4K [0,1,0,0,0,1|2,0,0]=4 2040 B8R1.5 Oc1cnccc1O 1P00063S [0,1,0,0,0,1|2,0,0]=4 2041 B8R1.5 Oc1cncnc1C 1P0004JY [0,1,0,0,0,1|1,0,0]=3 2042 B8R1.5 Oc1cnncc1Br 1P01KX79 [0,1,0,0,0,1|1,0,1]=4 2043 B8R1.5 Oc1cnncc1Br 1P028MSV [0,1,0,0,0,1|1,0,1]=4 2044 B8R1.5 Oc1cnncc1Cl 1P000MOM [0,1,0,0,0,1|1,0,1]=4 2045 B8R1.5 Oc1ncccc1O 1P0036P2 [0,1,0,0,0,1|2,0,0]=4 2046 B8R1.5 Oc1nccnc1Br 1P009KC7 [0,1,0,0,0,1|2,0,0]=4 2047 B8R1.5 Oc1nccnc1I 1P028MFM [0,1,0,0,0,1|2,0,0]=4 2048 B8R1.5 Oc1nccnc1O 1P01EC4P [0,1,0,0,0,1|2,0,0]=4 2049 B8R1.5 S=C1C=CN=CC1C 1P019DS7 [0,1,0,0,0,1|1,0,1]=4 2050 B8R1.5 S=c1[nH]cccc1C 1P0076M2 [0,1,0,0,0,1|1,0,0]=3 2051 B8R1.5 S=c1[nH]cccc1F 1P01BDFB [0,1,0,0,0,1|2,0,0]=4 2052 B8R1.5 S=c1[nH]cccc1N 1P00C6TQ [0,1,0,0,0,1|2,0,0]=4 2053 B8R1.5 S=c1[nH]cccc1O 1P002MAZ [0,1,0,0,0,1|2,0,0]=4 2054 B8R1.5 S=c1[nH]ccnc1C 1P01GFHU [0,1,0,0,0,1|1,0,0]=3 2055 B8R1.5 Sc1ccncc1Br 1P00G47E [0,1,0,0,0,1|2,0,0]=4 2056 B8R1.5 Sc1ccncc1Cl 1P01BIHD [0,1,0,0,0,1|2,0,0]=4 2057 B8R1.5 [O-]c1ccccc1C 1P00E08C [0,1,0,0,0,1|2,0,0]=4 2058 B8R1.1 BrCc1cnc(s1)Br 1P00105F [0,2,0,0,0,0|2,0,0]=4 2059 B8R1.1 BrCc1cnn(c1)C 1P00DM2I [0,2,0,0,0,0|0,0,0]=2 2060 B8R1.1 BrCc1csc(c1)Br 1P019NB4 [0,2,0,0,0,0|2,0,0]=4 2061 B8R1.1 BrCc1csc(c1)Cl 1P01ANP6 [0,2,0,0,0,0|2,0,0]=4 2062 B8R1.1 BrCc1onc(c1)Br 1P00IFZP [0,2,0,0,0,0|2,0,0]=4 2063 B8R1.1 Brc1cc([nH]c1)C#N 1P0017AF [0,2,0,0,0,0|2,0,0]=4 2064 B8R1.1 Brc1cc([nH]c1)C=O 1P00GWFG [0,2,0,0,0,0|2,0,0]=4 2065 B8R1.1 Brc1cn(nc1)C=C 1P005NJ8 [0,2,0,0,0,0|1,0,0]=3 2066 B8R1.1 C#Cc1cnn(c1)C 1P00CMRI [0,2,0,0,0,0|0,0,1]=3 2067 B8R1.1 C=Cc1cnn(c1)C 1P01A0UW [0,2,0,0,0,0|0,0,1]=3 2068 B8R1.1 C=Cn1cc[n+](c1)C 1P002U9Z [0,2,0,0,0,0|2,0,0]=4 2069 B8R1.1 CC[n+]1ccn(c1)C 1P0038KD [0,2,0,0,0,0|2,0,0]=4 2070 B8R1.1 CC[n+]1ccn(c1)C 1P003BIC [0,2,0,0,0,0|2,0,0]=4 2071 B8R1.1 CC[n+]1ccn(c1)C 1P003ERH [0,2,0,0,0,0|2,0,0]=4 2072 B8R1.1 CC[n+]1ccn(c1)C 1P003ERK [0,2,0,0,0,0|2,0,0]=4 2073 B8R1.1 CC[n+]1ccn(c1)C 1P007HMM [0,2,0,0,0,0|2,0,0]=4 2074 B8R1.1 CCc1c[nH]c(=O)[nH]1 1P004V42 [0,2,0,0,0,0|2,0,0]=4 2075 B8R1.1 CCc1c[nH]c(n1)N 1P01K4BQ [0,2,0,0,0,0|2,0,0]=4 2076 B8R1.1 CCc1c[nH]c(n1)S 1P01A0M7 [0,2,0,0,0,0|2,0,0]=4 2077 B8R1.1 CCc1cc(=O)[nH]o1 1P00013T [0,2,0,0,0,0|2,0,0]=4 2078 B8R1.1 CCc1cc(n[nH]1)N 1P002F0M [0,2,0,0,0,0|2,0,0]=4 2079 B8R1.1 CCc1cc(n[nH]1)O 1P00CN5C [0,2,0,0,0,0|2,0,0]=4 2080 B8R1.1 CCc1cc(no1)N 1P002BCI [0,2,0,0,0,0|2,0,0]=4 2081 B8R1.1 CCc1ccn(n1)C 1P00I66E [0,2,0,0,0,0|2,0,0]=4 2082 B8R1.1 CCc1cnc([nH]1)Br 1P0224G8 [0,2,0,0,0,0|2,0,0]=4 2083 B8R1.1 CCc1cnc(o1)Br 1P01BIV2 [0,2,0,0,0,0|2,0,0]=4 2084 B8R1.1 CCc1cnc(o1)Cl 1P028J9N [0,2,0,0,0,0|2,0,0]=4 2085 B8R1.1 CCc1cnc(o1)N 1P019YWP [0,2,0,0,0,0|2,0,0]=4 2086 B8R1.1 CCc1cnc(s1)Br 1P00AO2J [0,2,0,0,0,0|2,0,0]=4 2087 B8R1.1 CCc1cnc(s1)Cl 1P00GML7 [0,2,0,0,0,0|2,0,0]=4 2088 B8R1.1 CCc1cnc(s1)N 1P0037QG [0,2,0,0,0,0|2,0,0]=4 2089 B8R1.1 CCc1cnc(s1)N 1P01CD9U [0,2,0,0,0,0|2,0,0]=4 2090 B8R1.1 CCc1csc(c1)C 1P0012TP [0,2,0,0,0,0|2,0,0]=4 2091 B8R1.1 CCc1ncc([nH]1)C 1P003HNU [0,2,0,0,0,0|2,0,0]=4 2092 B8R1.1 CCc1ncn(c1)C 1P01C101 [0,2,0,0,0,0|2,0,0]=4 2093 B8R1.1 CCn1cc(cn1)Br 1P003LBJ [0,2,0,0,0,0|1,0,0]=3 2094 B8R1.1 CCn1cc(cn1)I 1P00AMGK [0,2,0,0,0,0|1,0,0]=3 2095 B8R1.1 CCn1cc(cn1)N 1P0036S6 [0,2,0,0,0,0|1,0,0]=3 2096 B8R1.1 CCn1cc(cn1)N 1P00J3H6 [0,2,0,0,0,0|1,0,0]=3 2097 B8R1.1 CCn1cc(cn1)O 1P005AYJ [0,2,0,0,0,0|1,0,0]=3 2098 B8R1.1 CCn1cc(cn1)S 1P02895I [0,2,0,0,0,0|1,0,0]=3 2099 B8R1.1 CCn1cc(nn1)Br 1P01B5JP [0,2,0,0,0,0|2,0,0]=4 2100 B8R1.1 CCn1cc(nn1)N 1P005NJM [0,2,0,0,0,0|2,0,0]=4 2101 B8R1.1 CCn1cc(nn1)N 1P00J1UV [0,2,0,0,0,0|2,0,0]=4 2102 B8R1.1 CCn1cc[n+](c1)C 1P001OBY [0,2,0,0,0,0|2,0,0]=4 2103 B8R1.1 CCn1cc[n+](c1)C 1P003AYL [0,2,0,0,0,0|2,0,0]=4 2104 B8R1.1 CCn1cc[n+](c1)C 1P003BIB [0,2,0,0,0,0|2,0,0]=4 2105 B8R1.1 CCn1cc[n+](c1)C 1P003BID [0,2,0,0,0,0|2,0,0]=4 2106 B8R1.1 CCn1cc[n+](c1)C 1P003ERJ [0,2,0,0,0,0|2,0,0]=4 2107 B8R1.1 CCn1cc[n+](c1)C 1P003ERL [0,2,0,0,0,0|2,0,0]=4 2108 B8R1.1 CCn1cc[n+](c1)C 1P003ERM [0,2,0,0,0,0|2,0,0]=4 2109 B8R1.1 CCn1cc[n+](c1)C 1P003ERN [0,2,0,0,0,0|2,0,0]=4 2110 B8R1.1 CCn1cc[n+](c1)C 1P0053QX [0,2,0,0,0,0|2,0,0]=4 2111 B8R1.1 CCn1cc[n+](c1)C 1P00DCGF [0,2,0,0,0,0|2,0,0]=4 2112 B8R1.1 CCn1cc[n+](c1)C 1P00H1OE [0,2,0,0,0,0|2,0,0]=4 2113 B8R1.1 CCn1cc[n+](c1)C 1P00ID7X [0,2,0,0,0,0|2,0,0]=4 2114 B8R1.1 CCn1cc[n+](c1)C 1P00IISX [0,2,0,0,0,0|2,0,0]=4 2115 B8R1.1 CCn1ccc(n1)C 1P0030KV [0,2,0,0,0,0|2,0,0]=4 2116 B8R1.1 CCn1ccc(n1)C 1P01C0XS [0,2,0,0,0,0|2,0,0]=4 2117 B8R1.1 CCn1cnc(c1)Br 1P0039KZ [0,2,0,0,0,0|2,0,0]=4 2118 B8R1.1 CCn1cnc(c1)I 1P01B9YQ [0,2,0,0,0,0|2,0,0]=4 2119 B8R1.1 CCn1cnc(c1)N 1P01EIG5 [0,2,0,0,0,0|2,0,0]=4 2120 B8R1.1 CCn1ncc(c1)C 1P01APCE [0,2,0,0,0,0|0,0,0]=2 2121 B8R1.1 CCn1ncc(c1)N 1P00J2DM [0,2,0,0,0,0|1,0,0]=3 2122 B8R1.1 CCn1ncc(n1)Br 1P01ALXM [0,2,0,0,0,0|2,0,0]=4 2123 B8R1.1 CCn1ncc(n1)N 1P00J1N4 [0,2,0,0,0,0|2,0,0]=4 2124 B8R1.1 CCn1ncc(n1)N 1P01DRNT [0,2,0,0,0,0|2,0,0]=4 2125 B8R1.1 CN=c1[nH]oc(c1)C 1P00DKA8 [0,2,0,0,0,0|2,0,0]=4 2126 B8R1.1 CNc1ccn(n1)C 1P01ADOO [0,2,0,0,0,0|2,0,0]=4 2127 B8R1.1 CNc1cnn(c1)C 1P00IJ27 [0,2,0,0,0,0|0,0,0]=2 2128 B8R1.1 CNc1cnn(c1)C 1P01AKZW [0,2,0,0,0,0|0,0,0]=2 2129 B8R1.1 CNc1n[nH]c(c1)C 1P01AKYO [0,2,0,0,0,0|2,0,0]=4 2130 B8R1.1 CNc1ncc(s1)C 1P019DQ8 [0,2,0,0,0,0|2,0,0]=4 2131 B8R1.1 CNc1ncc(s1)C 1P01FKWA [0,2,0,0,0,0|2,0,0]=4 2132 B8R1.1 CNc1noc(c1)C 1P01FKW9 [0,2,0,0,0,0|2,0,0]=4 2133 B8R1.1 COC1=CC(=O)NC1 1P003M3M [0,2,0,0,0,0|1,0,1]=4 2134 B8R1.1 COc1[nH]nc(c1)C 1P01DWST [0,2,0,0,0,0|2,0,0]=4 2135 B8R1.1 COc1cc([nH]n1)Br 1P00H9YP [0,2,0,0,0,0|2,0,0]=4 2136 B8R1.1 COc1cc(n[nH]1)N 1P0072T3 [0,2,0,0,0,0|2,0,0]=4 2137 B8R1.1 COc1cc(n[nH]1)N 1P007CIK [0,2,0,0,0,0|2,0,0]=4 2138 B8R1.1 COc1cc(no1)N 1P007H9E [0,2,0,0,0,0|2,0,0]=4 2139 B8R1.1 COc1cnc(s1)C 1P00BXUC [0,2,0,0,0,0|2,0,0]=4 2140 B8R1.1 COc1cnc(s1)N 1P00EAWD [0,2,0,0,0,0|2,0,0]=4 2141 B8R1.1 COc1noc(c1)C 1P001YOF [0,2,0,0,0,0|2,0,0]=4 2142 B8R1.1 CSc1cc(n[nH]1)N 1P008ZK0 [0,2,0,0,0,0|2,0,0]=4 2143 B8R1.1 CSc1cnc(s1)N 1P00IKP2 [0,2,0,0,0,0|2,0,0]=4 2144 B8R1.1 Cc1c[nH]c(n1)C#N 1P00FFU1 [0,2,0,0,0,0|2,0,0]=4 2145 B8R1.1 Cc1c[nH]c(n1)CBr 1P0286E1 [0,2,0,0,0,0|2,0,0]=4 2146 B8R1.1 Cc1c[nH]c(n1)CCl 1P01EMA8 [0,2,0,0,0,0|2,0,0]=4 2147 B8R1.1 Cc1cc([nH]c1)C=O 1P006Y3A [0,2,0,0,0,0|1,0,0]=3 2148 B8R1.1 Cc1cc([nH]n1)CN 1P00DDAT [0,2,0,0,0,0|2,0,0]=4 2149 B8R1.1 Cc1cc([nH]n1)CN 1P00J1L2 [0,2,0,0,0,0|2,0,0]=4 2150 B8R1.1 Cc1cc([nH]n1)CO 1P00AMG5 [0,2,0,0,0,0|2,0,0]=4 2151 B8R1.1 Cc1cc(n[nH]1)C#C 1P02869R [0,2,0,0,0,0|2,0,0]=4 2152 B8R1.1 Cc1cc(n[nH]1)C#N 1P00CJ7T [0,2,0,0,0,0|2,0,0]=4 2153 B8R1.1 Cc1cc(n[nH]1)C=O 1P0034RC [0,2,0,0,0,0|2,0,0]=4 2154 B8R1.1 Cc1cc(n[nH]1)CCl 1P024Q2W [0,2,0,0,0,0|2,0,0]=4 2155 B8R1.1 Cc1cc(n[nH]1)CO 1P0021VE [0,2,0,0,0,0|2,0,0]=4 2156 B8R1.1 Cc1cc(no1)C#C 1P027PAR [0,2,0,0,0,0|2,0,0]=4 2157 B8R1.1 Cc1cc(no1)C#N 1P003NCX [0,2,0,0,0,0|2,0,0]=4 2158 B8R1.1 Cc1cc(no1)C=O 1P00391V [0,2,0,0,0,0|2,0,0]=4 2159 B8R1.1 Cc1cc(no1)CBr 1P000V6J [0,2,0,0,0,0|2,0,0]=4 2160 B8R1.1 Cc1cc(no1)CCl 1P00I7FL [0,2,0,0,0,0|2,0,0]=4 2161 B8R1.1 Cc1cc(no1)CN 1P007HB0 [0,2,0,0,0,0|2,0,0]=4 2162 B8R1.1 Cc1cc(no1)CN 1P008SBK [0,2,0,0,0,0|2,0,0]=4 2163 B8R1.1 Cc1cc(no1)CO 1P003K19 [0,2,0,0,0,0|2,0,0]=4 2164 B8R1.1 Cc1cc(no1)CS 1P01CAMG [0,2,0,0,0,0|2,0,0]=4 2165 B8R1.1 Cc1cc(ns1)CCl 1P0280TX [0,2,0,0,0,0|2,0,0]=4 2166 B8R1.1 Cc1cc(ns1)CO 1P00AO1D [0,2,0,0,0,0|2,0,0]=4 2167 B8R1.1 Cc1cc(oc1)C=O 1P00I6ZP [0,2,0,0,0,0|2,0,0]=4 2168 B8R1.1 Cc1cc(oc1)CO 1P01BUE0 [0,2,0,0,0,0|2,0,0]=4 2169 B8R1.1 Cc1cc(on1)CBr 1P00C8P2 [0,2,0,0,0,0|2,0,0]=4 2170 B8R1.1 Cc1cc(on1)CCl 1P00I8DH [0,2,0,0,0,0|2,0,0]=4 2171 B8R1.1 Cc1cc(on1)CN 1P0039IC [0,2,0,0,0,0|2,0,0]=4 2172 B8R1.1 Cc1cc(on1)CN 1P00FGSG [0,2,0,0,0,0|2,0,0]=4 2173 B8R1.1 Cc1cc(on1)CO 1P001F53 [0,2,0,0,0,0|2,0,0]=4 2174 B8R1.1 Cc1cc(on1)CS 1P02920V [0,2,0,0,0,0|2,0,0]=4 2175 B8R1.1 Cc1cc(sc1)C#N 1P00FEKB [0,2,0,0,0,0|2,0,0]=4 2176 B8R1.1 Cc1cc(sc1)C=O 1P003M9N [0,2,0,0,0,0|2,0,0]=4 2177 B8R1.1 Cc1cc(sc1)CN 1P01C1JY [0,2,0,0,0,0|2,0,0]=4 2178 B8R1.1 Cc1cc(sc1)CO 1P005M4K [0,2,0,0,0,0|2,0,0]=4 2179 B8R1.1 Cc1cc(sn1)CCl 1P01BU65 [0,2,0,0,0,0|2,0,0]=4 2180 B8R1.1 Cc1cc(sn1)CN 1P023OR9 [0,2,0,0,0,0|2,0,0]=4 2181 B8R1.1 Cc1cc(sn1)CO 1P01BEOL [0,2,0,0,0,0|2,0,0]=4 2182 B8R1.1 Cc1cn(nc1)CCl 1P01FIOM [0,2,0,0,0,0|0,0,0]=2 2183 B8R1.1 Cc1cnc([nH]1)C=O 1P000AAF [0,2,0,0,0,0|2,0,0]=4 2184 B8R1.1 Cc1cnc([nH]1)CO 1P002G9Q [0,2,0,0,0,0|2,0,0]=4 2185 B8R1.1 Cc1cnc(o1)C=O 1P00VVHM [0,2,0,0,0,0|2,0,0]=4 2186 B8R1.1 Cc1cnc(o1)CCl 1P019SFT [0,2,0,0,0,0|2,0,0]=4 2187 B8R1.1 Cc1cnc(o1)CN 1P00ILCU [0,2,0,0,0,0|2,0,0]=4 2188 B8R1.1 Cc1cnc(o1)CN 1P00VSR9 [0,2,0,0,0,0|2,0,0]=4 2189 B8R1.1 Cc1cnc(o1)CO 1P00VVV6 [0,2,0,0,0,0|2,0,0]=4 2190 B8R1.1 Cc1cnc(s1)C#N 1P0002O5 [0,2,0,0,0,0|2,0,0]=4 2191 B8R1.1 Cc1cnc(s1)C=O 1P00196D [0,2,0,0,0,0|2,0,0]=4 2192 B8R1.1 Cc1cnc(s1)CCl 1P00IHHK [0,2,0,0,0,0|2,0,0]=4 2193 B8R1.1 Cc1cnc(s1)CO 1P00290Z [0,2,0,0,0,0|2,0,0]=4 2194 B8R1.1 Cc1nc(c[nH]1)CBr 1P02900O [0,2,0,0,0,0|2,0,0]=4 2195 B8R1.1 Cc1nc(c[nH]1)CCl 1P00ELGS [0,2,0,0,0,0|2,0,0]=4 2196 B8R1.1 Cc1nc(c[nH]1)CO 1P00DD57 [0,2,0,0,0,0|2,0,0]=4 2197 B8R1.1 Cc1ncc(o1)CCl 1P000PRG [0,2,0,0,0,0|2,0,0]=4 2198 B8R1.1 Cc1ncc(o1)CCl 1P028AOH [0,2,0,0,0,0|2,0,0]=4 2199 B8R1.1 Cc1ncc(o1)CN 1P01C312 [0,2,0,0,0,0|2,0,0]=4 2200 B8R1.1 Cc1ncc(o1)CO 1P0092QJ [0,2,0,0,0,0|2,0,0]=4 2201 B8R1.1 Cc1ncc(o1)CS 1P01C9S1 [0,2,0,0,0,0|2,0,0]=4 2202 B8R1.1 Cc1ncc(s1)CBr 1P00IDSU [0,2,0,0,0,0|2,0,0]=4 2203 B8R1.1 Cc1ncc(s1)CBr 1P02939Y [0,2,0,0,0,0|2,0,0]=4 2204 B8R1.1 Cc1ncc(s1)CCl 1P00F69F [0,2,0,0,0,0|2,0,0]=4 2205 B8R1.1 Cc1ncc(s1)CCl 1P01BIY6 [0,2,0,0,0,0|2,0,0]=4 2206 B8R1.1 Cc1ncc(s1)CN 1P00ED8F [0,2,0,0,0,0|2,0,0]=4 2207 B8R1.1 Cc1ncc(s1)CN 1P00HBF4 [0,2,0,0,0,0|2,0,0]=4 2208 B8R1.1 Cc1ncc(s1)CO 1P00DJHY [0,2,0,0,0,0|2,0,0]=4 2209 B8R1.1 ClCc1cc(no1)Br 1P000MKV [0,2,0,0,0,0|2,0,0]=4 2210 B8R1.1 ClCc1cnc(s1)Cl 1P0033OW [0,2,0,0,0,0|2,0,0]=4 2211 B8R1.1 ClCc1cnn(c1)C 1P00ASFY [0,2,0,0,0,0|0,0,0]=2 2212 B8R1.1 ClCc1csc(c1)Br 1P019VXY [0,2,0,0,0,0|2,0,0]=4 2213 B8R1.1 ClCc1csc(c1)Cl 1P005JNT [0,2,0,0,0,0|2,0,0]=4 2214 B8R1.1 ClCc1nnn(n1)C 1P019S7T [0,2,0,0,0,0|2,0,0]=4 2215 B8R1.1 ClCc1onc(c1)Cl 1P027UZM [0,2,0,0,0,0|2,0,0]=4 2216 B8R1.1 ClCn1ncc(c1)Cl 1P005O5T [0,2,0,0,0,0|1,0,0]=3 2217 B8R1.1 ClCn1ncc(c1)Cl 1P01C640 [0,2,0,0,0,0|1,0,0]=3 2218 B8R1.1 Clc1cc([nH]c1)C#N 1P00F15T [0,2,0,0,0,0|2,0,0]=4 2219 B8R1.1 Clc1ncc(s1)CBr 1P002LBR [0,2,0,0,0,0|2,0,0]=4 2220 B8R1.1 Cn1cc(nc1)C#C 1P01DRYU [0,2,0,0,0,0|2,0,0]=4 2221 B8R1.1 Cn1cc(nc1)C#N 1P00FDIR [0,2,0,0,0,0|2,0,0]=4 2222 B8R1.1 Cn1cc(nc1)C=O 1P00AP1Y [0,2,0,0,0,0|2,0,0]=4 2223 B8R1.1 Cn1cc(nc1)CBr 1P01DWLT [0,2,0,0,0,0|2,0,0]=4 2224 B8R1.1 Cn1cc(nc1)CCl 1P003AIV [0,2,0,0,0,0|2,0,0]=4 2225 B8R1.1 Cn1cc(nc1)CN 1P001BKI [0,2,0,0,0,0|2,0,0]=4 2226 B8R1.1 Cn1cc(nc1)CN 1P006WSU [0,2,0,0,0,0|2,0,0]=4 2227 B8R1.1 Cn1cc(nc1)CO 1P007CRN [0,2,0,0,0,0|2,0,0]=4 2228 B8R1.1 Cn1cc(nn1)C#N 1P00938F [0,2,0,0,0,0|1,0,1]=4 2229 B8R1.1 Cn1cc(nn1)C=O 1P00B5Z3 [0,2,0,0,0,0|1,0,1]=4 2230 B8R1.1 Cn1cc(nn1)CBr 1P01B2RW [0,2,0,0,0,0|1,0,0]=3 2231 B8R1.1 Cn1cc(nn1)CCl 1P00BJ2T [0,2,0,0,0,0|1,0,0]=3 2232 B8R1.1 Cn1cc(nn1)CCl 1P01A3M2 [0,2,0,0,0,0|1,0,0]=3 2233 B8R1.1 Cn1cc(nn1)CO 1P01A9ZD [0,2,0,0,0,0|1,0,0]=3 2234 B8R1.1 Cn1cc(nn1)CO 1P01BC8N [0,2,0,0,0,0|1,0,0]=3 2235 B8R1.1 Cn1ccc(n1)CBr 1P007YYV [0,2,0,0,0,0|2,0,0]=4 2236 B8R1.1 Cn1ccc(n1)CCl 1P004VXY [0,2,0,0,0,0|2,0,0]=4 2237 B8R1.1 Cn1ccc(n1)CCl 1P00GYEG [0,2,0,0,0,0|2,0,0]=4 2238 B8R1.1 Cn1ccc(n1)CN 1P0037JG [0,2,0,0,0,0|2,0,0]=4 2239 B8R1.1 Cn1ccc(n1)CN 1P008Y2B [0,2,0,0,0,0|2,0,0]=4 2240 B8R1.1 Cn1ccc(n1)CO 1P0036US [0,2,0,0,0,0|2,0,0]=4 2241 B8R1.1 Cn1ccc(n1)CS 1P0289RD [0,2,0,0,0,0|2,0,0]=4 2242 B8R1.1 Cn1nc(cn1)C=O 1P01AMEI [0,2,0,0,0,0|1,0,1]=4 2243 B8R1.1 Cn1nc(cn1)CBr 1P00H66O [0,2,0,0,0,0|1,0,0]=3 2244 B8R1.1 Cn1nc(cn1)CCl 1P01ALI6 [0,2,0,0,0,0|1,0,0]=3 2245 B8R1.1 Cn1nc(cn1)CN 1P01BBNH [0,2,0,0,0,0|1,0,0]=3 2246 B8R1.1 Cn1nc(cn1)CO 1P01BAN8 [0,2,0,0,0,0|1,0,0]=3 2247 B8R1.1 Cn1nc(cn1)CS 1P0292L5 [0,2,0,0,0,0|1,0,0]=3 2248 B8R1.1 Ic1cc([nH]c1)C#N 1P004GXP [0,2,0,0,0,0|2,0,0]=4 2249 B8R1.1 Ic1cc([nH]c1)C=O 1P00C71D [0,2,0,0,0,0|2,0,0]=4 2250 B8R1.1 Ic1cn(nc1)C=C 1P007RDS [0,2,0,0,0,0|1,0,0]=3 2251 B8R1.1 N#Cc1ccn(c1)C 1P00FSUD [0,2,0,0,0,0|1,0,1]=4 2252 B8R1.1 N#Cc1cnn(c1)C 1P003AE7 [0,2,0,0,0,0|0,0,1]=3 2253 B8R1.1 NCc1[nH][nH]c(=O)c1 1P01C54F [0,2,0,0,0,0|2,0,0]=4 2254 B8R1.1 NCc1[nH]cc(n1)C 1P00G8P1 [0,2,0,0,0,0|2,0,0]=4 2255 B8R1.1 NCc1[nH]nc(c1)C 1P00HBXH [0,2,0,0,0,0|2,0,0]=4 2256 B8R1.1 NCc1c[nH]c(=O)[nH]1 1P01C51U [0,2,0,0,0,0|2,0,0]=4 2257 B8R1.1 NCc1cc(=O)[nH]o1 1P0023JB [0,2,0,0,0,0|2,0,0]=4 2258 B8R1.1 NCc1cc(=O)[nH]s1 1P00EF01 [0,2,0,0,0,0|2,0,0]=4 2259 B8R1.1 NCc1cc([nH]n1)F 1P01JVER [0,2,0,0,0,0|2,0,0]=4 2260 B8R1.1 NCc1cc(c[nH]1)Br 1P019TPI [0,2,0,0,0,0|2,0,0]=4 2261 B8R1.1 NCc1cc(no1)Br 1P002URC [0,2,0,0,0,0|2,0,0]=4 2262 B8R1.1 NCc1cc(no1)Br 1P00GVCJ [0,2,0,0,0,0|2,0,0]=4 2263 B8R1.1 NCc1cc(no1)Cl 1P028MR2 [0,2,0,0,0,0|2,0,0]=4 2264 B8R1.1 NCc1ccn(c1)C 1P002KA3 [0,2,0,0,0,0|1,0,0]=3 2265 B8R1.1 NCc1cnc(s1)Br 1P0001K3 [0,2,0,0,0,0|2,0,0]=4 2266 B8R1.1 NCc1cnc(s1)Br 1P00105E [0,2,0,0,0,0|2,0,0]=4 2267 B8R1.1 NCc1cnc(s1)Br 1P01B9CA [0,2,0,0,0,0|2,0,0]=4 2268 B8R1.1 NCc1cnc(s1)Cl 1P0036LR [0,2,0,0,0,0|2,0,0]=4 2269 B8R1.1 NCc1cnc(s1)Cl 1P00AKVT [0,2,0,0,0,0|2,0,0]=4 2270 B8R1.1 NCc1cnc(s1)N 1P01EKLE [0,2,0,0,0,0|2,0,0]=4 2271 B8R1.1 NCc1cnn(c1)C 1P00397N [0,2,0,0,0,0|0,0,0]=2 2272 B8R1.1 NCc1cnn(c1)C 1P007UMZ [0,2,0,0,0,0|0,0,0]=2 2273 B8R1.1 NCc1cnn(c1)C 1P00915K [0,2,0,0,0,0|0,0,0]=2 2274 B8R1.1 NCc1coc(c1)C 1P01E7IU [0,2,0,0,0,0|2,0,0]=4 2275 B8R1.1 NCc1csc(c1)Br 1P0091TL [0,2,0,0,0,0|2,0,0]=4 2276 B8R1.1 NCc1csc(c1)Br 1P01A838 [0,2,0,0,0,0|2,0,0]=4 2277 B8R1.1 NCc1csc(c1)C 1P01APJ1 [0,2,0,0,0,0|2,0,0]=4 2278 B8R1.1 NCc1csc(c1)Cl 1P0099TB [0,2,0,0,0,0|2,0,0]=4 2279 B8R1.1 NCc1ncc(s1)C 1P003FFM [0,2,0,0,0,0|2,0,0]=4 2280 B8R1.1 NCc1ncn(c1)C 1P002311 [0,2,0,0,0,0|2,0,0]=4 2281 B8R1.1 NCc1nnn(n1)C 1P01BFXS [0,2,0,0,0,0|2,0,0]=4 2282 B8R1.1 NCc1onc(c1)N 1P028C3Y [0,2,0,0,0,0|2,0,0]=4 2283 B8R1.1 NCc1snc(c1)O 1P027VX8 [0,2,0,0,0,0|2,0,0]=4 2284 B8R1.1 NNc1cnn(c1)C 1P00J3AQ [0,2,0,0,0,0|1,0,0]=3 2285 B8R1.1 NNc1cnn(c1)C 1P01KKQS [0,2,0,0,0,0|1,0,0]=3 2286 B8R1.1 Nc1cc(n[nH]1)CO 1P0001CO [0,2,0,0,0,0|2,0,0]=4 2287 B8R1.1 Nc1ncc(s1)CO 1P000W4R [0,2,0,0,0,0|2,0,0]=4 2288 B8R1.1 O=Cc1c[nH]c(c1)Br 1P0039ZR [0,2,0,0,0,0|1,0,1]=4 2289 B8R1.1 O=Cc1ccn(c1)C 1P00CMF0 [0,2,0,0,0,0|1,0,1]=4 2290 B8R1.1 O=Cc1cnn(c1)C 1P002QO8 [0,2,0,0,0,0|0,0,1]=3 2291 B8R1.1 OCc1c[nH]c(n1)Cl 1P028MZ5 [0,2,0,0,0,0|2,0,0]=4 2292 B8R1.1 OCc1cc([nH]n1)Br 1P00ILHX [0,2,0,0,0,0|2,0,0]=4 2293 B8R1.1 OCc1cc([nH]n1)Br 1P01K847 [0,2,0,0,0,0|2,0,0]=4 2294 B8R1.1 OCc1cc([nH]n1)Cl 1P021VQZ [0,2,0,0,0,0|2,0,0]=4 2295 B8R1.1 OCc1cc(no1)Br 1P00BD12 [0,2,0,0,0,0|2,0,0]=4 2296 B8R1.1 OCc1cc(no1)Cl 1P007FWF [0,2,0,0,0,0|2,0,0]=4 2297 B8R1.1 OCc1ccn(c1)C 1P00FHGX [0,2,0,0,0,0|1,0,0]=3 2298 B8R1.1 OCc1cnc([nH]1)Br 1P028M54 [0,2,0,0,0,0|2,0,0]=4 2299 B8R1.1 OCc1cnc(o1)Br 1P0095BO [0,2,0,0,0,0|2,0,0]=4 2300 B8R1.1 OCc1cnc(o1)N 1P01FJXQ [0,2,0,0,0,0|2,0,0]=4 2301 B8R1.1 OCc1cnc(s1)Br 1P006HSF [0,2,0,0,0,0|2,0,0]=4 2302 B8R1.1 OCc1cnc(s1)Cl 1P001KY7 [0,2,0,0,0,0|2,0,0]=4 2303 B8R1.1 OCc1cnn(c1)C 1P008UP9 [0,2,0,0,0,0|0,0,0]=2 2304 B8R1.1 OCc1coc(c1)C 1P01ACSN [0,2,0,0,0,0|2,0,0]=4 2305 B8R1.1 OCc1csc(c1)Br 1P00ICX6 [0,2,0,0,0,0|2,0,0]=4 2306 B8R1.1 OCc1csc(c1)C 1P00CG87 [0,2,0,0,0,0|2,0,0]=4 2307 B8R1.1 OCc1csc(c1)Cl 1P005B17 [0,2,0,0,0,0|2,0,0]=4 2308 B8R1.1 OCc1n[nH]c(c1)O 1P00FC7F [0,2,0,0,0,0|2,0,0]=4 2309 B8R1.1 OCc1nnn(n1)C 1P00DBWD [0,2,0,0,0,0|2,0,0]=4 2310 B8R1.1 OCn1cc(cn1)Br 1P00JFNT [0,2,0,0,0,0|1,0,0]=3 2311 B8R1.1 OCn1cc(cn1)Cl 1P005CYK [0,2,0,0,0,0|1,0,0]=3 2312 B8R1.1 SCc1cc(no1)Br 1P028ZLF [0,2,0,0,0,0|2,0,0]=4 2313 B8R1.1 SCc1cnc(s1)Cl 1P01FFB6 [0,2,0,0,0,0|2,0,0]=4 2314 B8R1.1 SCc1cnn(c1)C 1P01C6ZV [0,2,0,0,0,0|0,0,0]=2 2315 B8R1.1 SCc1csc(c1)C 1P0291R6 [0,2,0,0,0,0|2,0,0]=4 2316 B8R1.1 SCc1nnn(n1)C 1P0291F7 [0,2,0,0,0,0|2,0,0]=4 2317 B8R1.7 CC(=C1C=CC=C1)O 1P006CQI [0,2,0,0,0,0|2,0,0]=4 2318 B8R1.7 CC(=O)c1c[nH]cc1 1P0039FK [0,2,0,0,0,0|1,0,0]=3 2319 B8R1.7 CC(=O)c1c[nH]cn1 1P00EB8A [0,2,0,0,0,0|2,0,0]=4 2320 B8R1.7 CC(=O)c1c[nH]nc1 1P002QO6 [0,2,0,0,0,0|0,0,0]=2 2321 B8R1.7 CC(=O)c1c[nH]nc1 1P01BHYR [0,2,0,0,0,0|0,0,0]=2 2322 B8R1.7 CC(=O)c1c[nH]nn1 1P01C1S8 [0,2,0,0,0,0|1,0,0]=3 2323 B8R1.7 CC(=O)c1ccn[nH]1 1P00APO8 [0,2,0,0,0,0|2,0,0]=4 2324 B8R1.7 CC(=O)c1ccn[nH]1 1P00BGL1 [0,2,0,0,0,0|2,0,0]=4 2325 B8R1.7 CC(=O)c1ccno1 1P0049B3 [0,2,0,0,0,0|2,0,0]=4 2326 B8R1.7 CC(=O)c1ccns1 1P00C067 [0,2,0,0,0,0|2,0,0]=4 2327 B8R1.7 CC(=O)c1cnco1 1P009KIG [0,2,0,0,0,0|2,0,0]=4 2328 B8R1.7 CC(=O)c1cncs1 1P00GT31 [0,2,0,0,0,0|2,0,0]=4 2329 B8R1.7 CC(=O)c1cnn[nH]1 1P024SAL [0,2,0,0,0,0|1,0,1]=4 2330 B8R1.7 CC(=O)c1cnns1 1P0080BZ [0,2,0,0,0,0|1,0,1]=4 2331 B8R1.7 CC(=O)c1cocc1 1P009E7F [0,2,0,0,0,0|2,0,0]=4 2332 B8R1.7 CC(=O)c1cscc1 1P001ETA [0,2,0,0,0,0|2,0,0]=4 2333 B8R1.7 CC(=O)n1cncc1 1P002PG2 [0,2,0,0,0,0|2,0,0]=4 2334 B8R1.7 CC(c1[nH]cnc1)N 1P01K4D3 [0,2,0,0,0,0|2,0,0]=4 2335 B8R1.7 CC(c1c[nH]cc1)N 1P01A4UJ [0,2,0,0,0,0|1,0,0]=3 2336 B8R1.7 CC(c1c[nH]nc1)C 1P0013YN [0,2,0,0,0,0|0,0,0]=2 2337 B8R1.7 CC(c1c[nH]nc1)C 1P00J2T0 [0,2,0,0,0,0|0,0,0]=2 2338 B8R1.7 CC(c1c[nH]nc1)N 1P01A3A5 [0,2,0,0,0,0|0,0,0]=2 2339 B8R1.7 CC(c1c[nH]nc1)N 1P01AF15 [0,2,0,0,0,0|0,0,0]=2 2340 B8R1.7 CC(c1c[nH]nc1)N 1P028UUT [0,2,0,0,0,0|0,0,0]=2 2341 B8R1.7 CC(c1c[nH]nc1)O 1P02047V [0,2,0,0,0,0|0,0,0]=2 2342 B8R1.7 CC(c1c[nH]nn1)N 1P028LO3 [0,2,0,0,0,0|1,0,0]=3 2343 B8R1.7 CC(c1cc[nH]n1)C 1P003K2S [0,2,0,0,0,0|2,0,0]=4 2344 B8R1.7 CC(c1cc[nH]n1)N 1P0092LE [0,2,0,0,0,0|2,0,0]=4 2345 B8R1.7 CC(c1cc[nH]n1)N 1P00AO49 [0,2,0,0,0,0|2,0,0]=4 2346 B8R1.7 CC(c1cc[nH]n1)O 1P00BU24 [0,2,0,0,0,0|2,0,0]=4 2347 B8R1.7 CC(c1ccno1)O 1P0289RW [0,2,0,0,0,0|2,0,0]=4 2348 B8R1.7 CC(c1ccns1)N 1P01BY3O [0,2,0,0,0,0|2,0,0]=4 2349 B8R1.7 CC(c1ccns1)N 1P01BY4V [0,2,0,0,0,0|2,0,0]=4 2350 B8R1.7 CC(c1cnc[nH]1)O 1P00EG08 [0,2,0,0,0,0|2,0,0]=4 2351 B8R1.7 CC(c1cnco1)O 1P028HP9 [0,2,0,0,0,0|2,0,0]=4 2352 B8R1.7 CC(c1cncs1)N 1P0099H5 [0,2,0,0,0,0|2,0,0]=4 2353 B8R1.7 CC(c1cncs1)N 1P01EII7 [0,2,0,0,0,0|2,0,0]=4 2354 B8R1.7 CC(c1cncs1)O 1P00D74H [0,2,0,0,0,0|2,0,0]=4 2355 B8R1.7 CC(c1cocc1)N 1P00BDB1 [0,2,0,0,0,0|2,0,0]=4 2356 B8R1.7 CC(c1cocc1)N 1P01A1FQ [0,2,0,0,0,0|2,0,0]=4 2357 B8R1.7 CC(c1cocc1)S 1P0291JO [0,2,0,0,0,0|2,0,0]=4 2358 B8R1.7 CC(c1cscc1)N 1P008U4D [0,2,0,0,0,0|2,0,0]=4 2359 B8R1.7 CC(c1cscc1)O 1P00AT04 [0,2,0,0,0,0|2,0,0]=4 2360 B8R1.7 CC(c1csnc1)N 1P027Z0S [0,2,0,0,0,0|1,0,0]=3 2361 B8R1.7 CC(c1csnn1)Cl 1P01C2E8 [0,2,0,0,0,0|2,0,0]=4 2362 B8R1.7 CC(c1csnn1)N 1P01C3BU [0,2,0,0,0,0|2,0,0]=4 2363 B8R1.7 CC(c1csnn1)N 1P01C3BV [0,2,0,0,0,0|2,0,0]=4 2364 B8R1.7 CC(c1csnn1)O 1P01C2BZ [0,2,0,0,0,0|2,0,0]=4 2365 B8R1.7 CC(c1n[nH]nn1)N 1P007J1O [0,2,0,0,0,0|2,0,0]=4 2366 B8R1.7 CC(c1n[nH]nn1)N 1P027Z2D [0,2,0,0,0,0|2,0,0]=4 2367 B8R1.7 CC(c1nc[nH]c1)C 1P003M28 [0,2,0,0,0,0|2,0,0]=4 2368 B8R1.7 CC(c1nc[nH]c1)N 1P00HSY9 [0,2,0,0,0,0|2,0,0]=4 2369 B8R1.7 CC(c1ocnc1)C 1P01E7KI [0,2,0,0,0,0|2,0,0]=4 2370 B8R1.7 CC(c1ocnc1)N 1P01EIHC [0,2,0,0,0,0|2,0,0]=4 2371 B8R1.7 CC(c1scnc1)C 1P001WUZ [0,2,0,0,0,0|2,0,0]=4 2372 B8R1.7 CC(c1scnc1)N 1P024UN9 [0,2,0,0,0,0|2,0,0]=4 2373 B8R1.7 CC(n1cncc1)C 1P003397 [0,2,0,0,0,0|2,0,0]=4 2374 B8R1.7 CC(n1cnnc1)C 1P002OOY [0,2,0,0,0,0|1,0,1]=4 2375 B8R1.7 CN(c1c[nH]nc1)C 1P028RIJ [0,2,0,0,0,0|0,0,0]=2 2376 B8R1.7 C[C@@H](c1c[nH]cn1)O 1P028MGD [0,2,0,0,0,0|2,0,0]=4 2377 B8R1.7 C[C@@H](c1c[nH]nn1)N 1P0289A2 [0,2,0,0,0,0|1,0,0]=3 2378 B8R1.7 C[C@@H](c1cc[nH]n1)O 1P01B885 [0,2,0,0,0,0|2,0,0]=4 2379 B8R1.7 C[C@@H](c1ccns1)O 1P027Z4B [0,2,0,0,0,0|2,0,0]=4 2380 B8R1.7 C[C@@H](c1cncs1)O 1P01A5H7 [0,2,0,0,0,0|2,0,0]=4 2381 B8R1.7 C[C@@H](c1cncs1)O 1P01AJLF [0,2,0,0,0,0|2,0,0]=4 2382 B8R1.7 C[C@@H](c1cocc1)N 1P01KKHI [0,2,0,0,0,0|2,0,0]=4 2383 B8R1.7 C[C@@H](c1cocc1)O 1P019ZQQ [0,2,0,0,0,0|2,0,0]=4 2384 B8R1.7 C[C@@H](c1cscc1)N 1P00ASPZ [0,2,0,0,0,0|2,0,0]=4 2385 B8R1.7 C[C@@H](c1cscc1)N 1P029045 [0,2,0,0,0,0|2,0,0]=4 2386 B8R1.7 C[C@@H](c1scnc1)N 1P01AGG1 [0,2,0,0,0,0|2,0,0]=4 2387 B8R1.7 C[C@H](c1c[nH]cn1)O 1P028G39 [0,2,0,0,0,0|2,0,0]=4 2388 B8R1.7 C[C@H](c1cc[nH]n1)O 1P01B884 [0,2,0,0,0,0|2,0,0]=4 2389 B8R1.7 C[C@H](c1ccns1)O 1P027YNI [0,2,0,0,0,0|2,0,0]=4 2390 B8R1.7 C[C@H](c1cncs1)O 1P01AJLG [0,2,0,0,0,0|2,0,0]=4 2391 B8R1.7 C[C@H](c1cocc1)N 1P028M77 [0,2,0,0,0,0|2,0,0]=4 2392 B8R1.7 C[C@H](c1cocc1)O 1P019ZUH [0,2,0,0,0,0|2,0,0]=4 2393 B8R1.7 C[C@H](c1cscc1)N 1P028ZD0 [0,2,0,0,0,0|2,0,0]=4 2394 B8R1.7 C[C@H](c1scnc1)N 1P01A5OR [0,2,0,0,0,0|2,0,0]=4 2395 B8R1.7 FC(c1c[nH]nc1)F 1P009YTT [0,2,0,0,0,0|0,0,0]=2 2396 B8R1.7 FC(c1cc[nH]n1)F 1P00923N [0,2,0,0,0,0|2,0,0]=4 2397 B8R1.7 FC(c1cc[nH]n1)F 1P02813S [0,2,0,0,0,0|2,0,0]=4 2398 B8R1.7 FC(c1n[nH]nn1)F 1P028AH4 [0,2,0,0,0,0|2,0,0]=4 2399 B8R1.7 FC(c1nc[nH]c1)F 1P01A39E [0,2,0,0,0,0|2,0,0]=4 2400 B8R1.7 FC(n1cncc1)F 1P01EZI7 [0,2,0,0,0,0|2,0,0]=4 2401 B8R1.7 NC(=N)c1c[nH]nc1 1P0288R9 [0,2,0,0,0,0|0,0,1]=3 2402 B8R1.7 NC(=N)c1c[nH]nc1 1P028GUJ [0,2,0,0,0,0|0,0,1]=3 2403 B8R1.7 NC(=N)c1c[nH]nn1 1P01C51V [0,2,0,0,0,0|1,0,1]=4 2404 B8R1.7 NC(=O)c1c[nH]nc1 1P003MH2 [0,2,0,0,0,0|0,0,1]=3 2405 B8R1.7 NC(=O)c1c[nH]nn1 1P00DKB1 [0,2,0,0,0,0|1,0,1]=4 2406 B8R1.7 NC(=S)c1c[nH]cc1 1P01DXAQ [0,2,0,0,0,0|1,0,1]=4 2407 B8R1.7 NC(=S)c1c[nH]nc1 1P0005YX [0,2,0,0,0,0|0,0,1]=3 2408 B8R1.7 NC(=S)c1conc1 1P00FB0Y [0,2,0,0,0,0|1,0,1]=4 2409 B8R1.7 OB(c1c[nH]nc1)O 1P000OIY [0,2,0,0,0,0|1,0,0]=3 2410 B8R1.7 OB(c1c[nH]nc1)O 1P00370K [0,2,0,0,0,0|1,0,0]=3 2411 B8R1.7 OB(c1conc1)O 1P0003E5 [0,2,0,0,0,0|2,0,0]=4 2412 B8R1.7 OC(=O)c1c[nH]cc1 1P003UJU [0,2,0,0,0,0|1,0,1]=4 2413 B8R1.7 OC(=O)c1c[nH]nc1 1P0034LR [0,2,0,0,0,0|0,0,1]=3 2414 B8R1.7 OC(=O)c1c[nH]nn1 1P003JZ0 [0,2,0,0,0,0|1,0,1]=4 2415 B8R1.7 OC(=O)c1conc1 1P00EAGN [0,2,0,0,0,0|1,0,1]=4 2416 B8R1.7 OC(=O)c1csnc1 1P0050GK [0,2,0,0,0,0|1,0,1]=4 2417 B8R1.7 [O-]S(=O)c1c[nH]nc1 1P01C8PX [0,2,0,0,0,0|1,0,0]=3 2418 B8R1.7 [O-][N+](=O)c1c[nH]cc1 1P003KAM [0,2,0,0,0,0|2,0,0]=4 2419 B8R1.7 [O-][N+](=O)c1c[nH]nc1 1P002JK9 [0,2,0,0,0,0|1,0,0]=3 2420 B8R1.7 [O-][N+](=O)c1c[nH]nn1 1P00AODJ [0,2,0,0,0,0|2,0,0]=4 2421 B8R1.7 [O-][N+](=O)c1cn[nH]n1 1P0036Y9 [0,2,0,0,0,0|2,0,0]=4 2422 B8R1.7 [O-][N+](=O)c1conc1 1P007UXG [0,2,0,0,0,0|2,0,0]=4 2423 B8R1.7 [O-][N+](=O)c1csnc1 1P00GVGB [0,2,0,0,0,0|2,0,0]=4 2424 B8R1.8 BrCCc1c[nH]nc1 1P01AVGB [0,2,0,0,0,0|0,0,0]=2 2425 B8R1.8 BrCCc1ccns1 1P01BJ4U [0,2,0,0,0,0|2,0,0]=4 2426 B8R1.8 BrCCc1cnco1 1P024SG9 [0,2,0,0,0,0|2,0,0]=4 2427 B8R1.8 BrCCc1cncs1 1P01BBZH [0,2,0,0,0,0|2,0,0]=4 2428 B8R1.8 BrCCc1conc1 1P01C1RD [0,2,0,0,0,0|1,0,0]=3 2429 B8R1.8 BrCCc1cscc1 1P00EEU2 [0,2,0,0,0,0|2,0,0]=4 2430 B8R1.8 BrCCn1cncc1 1P00J1QP [0,2,0,0,0,0|2,0,0]=4 2431 B8R1.8 BrCCn1cnnc1 1P00J37R [0,2,0,0,0,0|1,0,1]=4 2432 B8R1.8 C#CCn1cncc1 1P01ABZV [0,2,0,0,0,0|2,0,0]=4 2433 B8R1.8 C(c1cc[nH]n1)C#N 1P009CGM [0,2,0,0,0,0|2,0,0]=4 2434 B8R1.8 C(c1ccno1)C#N 1P00G5QL [0,2,0,0,0,0|2,0,0]=4 2435 B8R1.8 C(c1cnc[nH]1)C#N 1P00383M [0,2,0,0,0,0|2,0,0]=4 2436 B8R1.8 C(c1cncs1)C#N 1P00DJRR [0,2,0,0,0,0|2,0,0]=4 2437 B8R1.8 C(c1cnsn1)C#N 1P01B2WC [0,2,0,0,0,0|2,0,0]=4 2438 B8R1.8 C(c1csnn1)C#N 1P0288N3 [0,2,0,0,0,0|2,0,0]=4 2439 B8R1.8 C=CCn1cncc1 1P003BHN [0,2,0,0,0,0|2,0,0]=4 2440 B8R1.8 CCCc1c[nH]nc1 1P00I4HL [0,2,0,0,0,0|0,0,0]=2 2441 B8R1.8 CCCc1cc[nH]n1 1P005UQF [0,2,0,0,0,0|2,0,0]=4 2442 B8R1.8 CCCc1cscc1 1P003KB0 [0,2,0,0,0,0|2,0,0]=4 2443 B8R1.8 CCCc1n[nH]nn1 1P001J1W [0,2,0,0,0,0|2,0,0]=4 2444 B8R1.8 CCCn1cncc1 1P0032P5 [0,2,0,0,0,0|2,0,0]=4 2445 B8R1.8 CCCn1cnnc1 1P00BJCQ [0,2,0,0,0,0|1,0,1]=4 2446 B8R1.8 CCNc1cc[nH]n1 1P02809P [0,2,0,0,0,0|2,0,0]=4 2447 B8R1.8 CCNc1cscc1 1P027WY1 [0,2,0,0,0,0|2,0,0]=4 2448 B8R1.8 CCOc1c[nH]cn1 1P027U2Z [0,2,0,0,0,0|2,0,0]=4 2449 B8R1.8 CCOc1c[nH]nc1 1P0052T0 [0,2,0,0,0,0|0,0,0]=2 2450 B8R1.8 CCOc1cc[nH]n1 1P00ELSD [0,2,0,0,0,0|2,0,0]=4 2451 B8R1.8 CCOc1cnco1 1P001MYR [0,2,0,0,0,0|2,0,0]=4 2452 B8R1.8 CCOc1cscc1 1P000BFR [0,2,0,0,0,0|2,0,0]=4 2453 B8R1.8 CNCc1c[nH]cn1 1P01A0V5 [0,2,0,0,0,0|2,0,0]=4 2454 B8R1.8 CNCc1c[nH]nc1 1P01AIIO [0,2,0,0,0,0|0,0,0]=2 2455 B8R1.8 CNCc1c[nH]nc1 1P027VI9 [0,2,0,0,0,0|0,0,0]=2 2456 B8R1.8 CNCc1c[nH]nn1 1P01FPRY [0,2,0,0,0,0|1,0,0]=3 2457 B8R1.8 CNCc1cc[nH]n1 1P028LFR [0,2,0,0,0,0|2,0,0]=4 2458 B8R1.8 CNCc1ccn[nH]1 1P00FB0Z [0,2,0,0,0,0|2,0,0]=4 2459 B8R1.8 CNCc1cnc[nH]1 1P01DQ2Y [0,2,0,0,0,0|2,0,0]=4 2460 B8R1.8 CNCc1cnco1 1P028CGH [0,2,0,0,0,0|2,0,0]=4 2461 B8R1.8 CNCc1cncs1 1P00H3L5 [0,2,0,0,0,0|2,0,0]=4 2462 B8R1.8 CNCc1cocc1 1P002MAS [0,2,0,0,0,0|2,0,0]=4 2463 B8R1.8 CNCc1cscc1 1P002LC2 [0,2,0,0,0,0|2,0,0]=4 2464 B8R1.8 CNCc1cscc1 1P01EJFU [0,2,0,0,0,0|2,0,0]=4 2465 B8R1.8 COCc1c[nH]cn1 1P00IF42 [0,2,0,0,0,0|2,0,0]=4 2466 B8R1.8 COCc1c[nH]nc1 1P00ILIG [0,2,0,0,0,0|0,0,0]=2 2467 B8R1.8 COCc1cc[nH]n1 1P01DZQW [0,2,0,0,0,0|2,0,0]=4 2468 B8R1.8 COCc1ccns1 1P01FL4P [0,2,0,0,0,0|2,0,0]=4 2469 B8R1.8 COCc1cncs1 1P027XKB [0,2,0,0,0,0|2,0,0]=4 2470 B8R1.8 COCc1cscc1 1P028GT6 [0,2,0,0,0,0|2,0,0]=4 2471 B8R1.8 COCc1n[nH]nn1 1P01JTZJ [0,2,0,0,0,0|2,0,0]=4 2472 B8R1.8 COCn1cncc1 1P002DES [0,2,0,0,0,0|2,0,0]=4 2473 B8R1.8 CSCc1cc[nH]n1 1P01CAKK [0,2,0,0,0,0|2,0,0]=4 2474 B8R1.8 ClCCc1c[nH]cn1 1P009I67 [0,2,0,0,0,0|2,0,0]=4 2475 B8R1.8 ClCCc1c[nH]nc1 1P008TP8 [0,2,0,0,0,0|0,0,0]=2 2476 B8R1.8 ClCCc1c[nH]nc1 1P00DB8G [0,2,0,0,0,0|0,0,0]=2 2477 B8R1.8 ClCCc1c[nH]nn1 1P01AMF3 [0,2,0,0,0,0|1,0,0]=3 2478 B8R1.8 ClCCc1cnc[nH]1 1P00EG0N [0,2,0,0,0,0|2,0,0]=4 2479 B8R1.8 ClCCc1cncs1 1P01AML1 [0,2,0,0,0,0|2,0,0]=4 2480 B8R1.8 ClCCc1conc1 1P01AVAQ [0,2,0,0,0,0|1,0,0]=3 2481 B8R1.8 ClCCc1n[nH]nn1 1P00I2C3 [0,2,0,0,0,0|2,0,0]=4 2482 B8R1.8 ClCCn1cncc1 1P002EMS [0,2,0,0,0,0|2,0,0]=4 2483 B8R1.8 ClCCn1cncc1 1P00H04N [0,2,0,0,0,0|2,0,0]=4 2484 B8R1.8 FCCn1cncc1 1P01EIRE [0,2,0,0,0,0|2,0,0]=4 2485 B8R1.8 ICCn1cncc1 1P028PTI [0,2,0,0,0,0|2,0,0]=4 2486 B8R1.8 N#CCc1c[nH]cc1 1P007SBG [0,2,0,0,0,0|1,0,0]=3 2487 B8R1.8 N#CCc1c[nH]nc1 1P000JFK [0,2,0,0,0,0|0,0,0]=2 2488 B8R1.8 N#CCc1cnns1 1P028EU0 [0,2,0,0,0,0|1,0,1]=4 2489 B8R1.8 N#CCc1cocc1 1P01Q89A [0,2,0,0,0,0|2,0,0]=4 2490 B8R1.8 N#CCc1conc1 1P019WWJ [0,2,0,0,0,0|1,0,0]=3 2491 B8R1.8 N#CCc1cscc1 1P0014CB [0,2,0,0,0,0|2,0,0]=4 2492 B8R1.8 N#CCc1csnc1 1P028ZJH [0,2,0,0,0,0|1,0,0]=3 2493 B8R1.8 N#CCn1cncc1 1P00IKN5 [0,2,0,0,0,0|2,0,0]=4 2494 B8R1.8 N#CCn1cnnc1 1P01B1ZE [0,2,0,0,0,0|1,0,1]=4 2495 B8R1.8 NCCc1[nH]cnc1 1P002N9R [0,2,0,0,0,0|2,0,0]=4 2496 B8R1.8 NCCc1c[nH]cc1 1P01BBDB [0,2,0,0,0,0|1,0,0]=3 2497 B8R1.8 NCCc1c[nH]cn1 1P0037UP [0,2,0,0,0,0|2,0,0]=4 2498 B8R1.8 NCCc1c[nH]nc1 1P00742Z [0,2,0,0,0,0|0,0,0]=2 2499 B8R1.8 NCCc1c[nH]nc1 1P01BCHB [0,2,0,0,0,0|0,0,0]=2 2500 B8R1.8 NCCc1cc[nH]n1 1P0085RD [0,2,0,0,0,0|2,0,0]=4 2501 B8R1.8 NCCc1cc[nH]n1 1P009FIS [0,2,0,0,0,0|2,0,0]=4 2502 B8R1.8 NCCc1ccno1 1P01BRWE [0,2,0,0,0,0|2,0,0]=4 2503 B8R1.8 NCCc1ccno1 1P0286ZF [0,2,0,0,0,0|2,0,0]=4 2504 B8R1.8 NCCc1cnn[nH]1 1P00J2Q2 [0,2,0,0,0,0|1,0,1]=4 2505 B8R1.8 NCCc1cocc1 1P01ADC8 [0,2,0,0,0,0|2,0,0]=4 2506 B8R1.8 NCCc1cocc1 1P01B713 [0,2,0,0,0,0|2,0,0]=4 2507 B8R1.8 NCCc1conc1 1P00HF7E [0,2,0,0,0,0|1,0,0]=3 2508 B8R1.8 NCCc1cscc1 1P0038IN [0,2,0,0,0,0|2,0,0]=4 2509 B8R1.8 NCCc1cscc1 1P00EA5P [0,2,0,0,0,0|2,0,0]=4 2510 B8R1.8 NCCc1csnn1 1P028CXE [0,2,0,0,0,0|2,0,0]=4 2511 B8R1.8 NCCc1nc[nH]c1 1P0035GO [0,2,0,0,0,0|2,0,0]=4 2512 B8R1.8 NCCc1nc[nH]c1 1P003REF [0,2,0,0,0,0|2,0,0]=4 2513 B8R1.8 NCCc1nn[nH]c1 1P01EIH9 [0,2,0,0,0,0|1,0,0]=3 2514 B8R1.8 NCCc1ocnc1 1P028E9Y [0,2,0,0,0,0|2,0,0]=4 2515 B8R1.8 NCCc1scnc1 1P00G9Z1 [0,2,0,0,0,0|2,0,0]=4 2516 B8R1.8 NCCn1cncc1 1P003F64 [0,2,0,0,0,0|2,0,0]=4 2517 B8R1.8 NCCn1cncc1 1P00APN2 [0,2,0,0,0,0|2,0,0]=4 2518 B8R1.8 NCCn1cncc1 1P00J9QA [0,2,0,0,0,0|2,0,0]=4 2519 B8R1.8 NCCn1cnnc1 1P0003GV [0,2,0,0,0,0|1,0,1]=4 2520 B8R1.8 NCCn1cnnc1 1P00J2WK [0,2,0,0,0,0|1,0,1]=4 2521 B8R1.8 NNCc1cscc1 1P01BDCM [0,2,0,0,0,0|2,0,0]=4 2522 B8R1.8 NNCc1cscc1 1P01BDDR [0,2,0,0,0,0|2,0,0]=4 2523 B8R1.8 O=C=Nc1csnc1 1P028LD6 [0,2,0,0,0,0|1,0,1]=4 2524 B8R1.8 O=CCc1cscc1 1P000FCN [0,2,0,0,0,0|2,0,0]=4 2525 B8R1.8 OCCc1c[nH]nc1 1P002297 [0,2,0,0,0,0|0,0,0]=2 2526 B8R1.8 OCCc1c[nH]nc1 1P019U5T [0,2,0,0,0,0|0,0,0]=2 2527 B8R1.8 OCCc1c[nH]nn1 1P01AII7 [0,2,0,0,0,0|1,0,0]=3 2528 B8R1.8 OCCc1c[nH]nn1 1P01EMU3 [0,2,0,0,0,0|1,0,0]=3 2529 B8R1.8 OCCc1cc[nH]n1 1P00CLE0 [0,2,0,0,0,0|2,0,0]=4 2530 B8R1.8 OCCc1cnc[nH]1 1P0022DH [0,2,0,0,0,0|2,0,0]=4 2531 B8R1.8 OCCc1cnc[nH]1 1P004IMT [0,2,0,0,0,0|2,0,0]=4 2532 B8R1.8 OCCc1cnco1 1P028VU5 [0,2,0,0,0,0|2,0,0]=4 2533 B8R1.8 OCCc1cncs1 1P01B9DR [0,2,0,0,0,0|2,0,0]=4 2534 B8R1.8 OCCc1cocc1 1P0037R8 [0,2,0,0,0,0|2,0,0]=4 2535 B8R1.8 OCCc1conc1 1P004J4U [0,2,0,0,0,0|1,0,0]=3 2536 B8R1.8 OCCc1cscc1 1P0014C9 [0,2,0,0,0,0|2,0,0]=4 2537 B8R1.8 OCCc1csnc1 1P028W89 [0,2,0,0,0,0|1,0,0]=3 2538 B8R1.8 OCCc1n[nH]nn1 1P0021PM [0,2,0,0,0,0|2,0,0]=4 2539 B8R1.8 OCCn1cncc1 1P0038Q6 [0,2,0,0,0,0|2,0,0]=4 2540 B8R1.8 OCCn1cnnc1 1P006ICN [0,2,0,0,0,0|1,0,1]=4 2541 B8R1.8 SCCc1conc1 1P0292JM [0,2,0,0,0,0|1,0,0]=3 2542 B8R1.8 SCCc1cscc1 1P028DTF [0,2,0,0,0,0|2,0,0]=4 2543 B8R1.8 SCCc1n[nH]nn1 1P00FPA0 [0,2,0,0,0,0|2,0,0]=4 2544 B8R1.8 SCCn1cncc1 1P02921I [0,2,0,0,0,0|2,0,0]=4 2545 B8R1.11 BrCc1ccsc1Br 1P003H35 [0,2,0,0,0,0|2,0,0]=4 2546 B8R1.11 BrCc1cnnn1C 1P028SZ4 [0,2,0,0,0,0|1,0,1]=4 2547 B8R1.11 BrCc1cnsc1Br 1P028AZV [0,2,0,0,0,0|1,0,0]=3 2548 B8R1.11 BrCc1cscc1Br 1P0076HJ [0,2,0,0,0,0|2,0,0]=4 2549 B8R1.11 BrCc1nccn1C 1P00J2TY [0,2,0,0,0,0|2,0,0]=4 2550 B8R1.11 BrCc1nocc1Br 1P027WOP [0,2,0,0,0,0|2,0,0]=4 2551 B8R1.11 BrCc1nscc1Br 1P006Z9C [0,2,0,0,0,0|2,0,0]=4 2552 B8R1.11 BrCc1sncc1Br 1P01C71S [0,2,0,0,0,0|2,0,0]=4 2553 B8R1.11 Brc1c(C=O)cc[nH]1 1P0293SK [0,2,0,0,0,0|1,0,1]=4 2554 B8R1.11 Brc1c(cn[nH]1)C#N 1P00ASHX [0,2,0,0,0,0|0,0,1]=3 2555 B8R1.11 Brc1c[nH]cc1C=O 1P01DWFP [0,2,0,0,0,0|1,0,1]=4 2556 B8R1.11 Brc1c[nH]nc1C#N 1P002X4U [0,2,0,0,0,0|1,0,0]=3 2557 B8R1.11 Brc1c[nH]nc1C=O 1P002WXP [0,2,0,0,0,0|1,0,0]=3 2558 B8R1.11 Brc1cnsc1C#N 1P0289D9 [0,2,0,0,0,0|2,0,0]=4 2559 B8R1.11 Brc1cnsc1C=O 1P01BVX5 [0,2,0,0,0,0|2,0,0]=4 2560 B8R1.11 Brc1conc1C=O 1P0280OM [0,2,0,0,0,0|2,0,0]=4 2561 B8R1.11 Brc1csnc1C#N 1P01X8JY [0,2,0,0,0,0|2,0,0]=4 2562 B8R1.11 Brc1nscc1C#C 1P028G07 [0,2,0,0,0,0|1,0,1]=4 2563 B8R1.11 Brc1nscc1C#N 1P01AGO4 [0,2,0,0,0,0|1,0,1]=4 2564 B8R1.11 C#Cc1nccn1C 1P00CAWY [0,2,0,0,0,0|2,0,0]=4 2565 B8R1.11 C#Cc1sccc1C 1P008N5V [0,2,0,0,0,0|2,0,0]=4 2566 B8R1.11 CCc1[nH]nnc1N 1P01C64L [0,2,0,0,0,0|1,0,1]=4 2567 B8R1.11 CCc1c(N)cn[nH]1 1P01EIID [0,2,0,0,0,0|1,0,0]=3 2568 B8R1.11 CCc1c[nH]nc1C 1P01UOKS [0,2,0,0,0,0|0,0,0]=2 2569 B8R1.11 CCc1c[nH]nc1N 1P00706L [0,2,0,0,0,0|0,0,0]=2 2570 B8R1.11 CCc1cnnn1C 1P01R4S3 [0,2,0,0,0,0|1,0,1]=4 2571 B8R1.11 CCc1cnoc1N 1P01EIGD [0,2,0,0,0,0|1,0,0]=3 2572 B8R1.11 CCc1conc1N 1P01DVVE [0,2,0,0,0,0|1,0,0]=3 2573 B8R1.11 CCc1cscc1Br 1P01DX5X [0,2,0,0,0,0|2,0,0]=4 2574 B8R1.11 CCc1cscc1N 1P0284R7 [0,2,0,0,0,0|2,0,0]=4 2575 B8R1.11 CCc1n[nH]cc1Br 1P001QDJ [0,2,0,0,0,0|1,0,0]=3 2576 B8R1.11 CCc1n[nH]cc1Cl 1P01R68I [0,2,0,0,0,0|1,0,0]=3 2577 B8R1.11 CCc1nncn1C 1P01A9K2 [0,2,0,0,0,0|1,0,1]=4 2578 B8R1.11 CCc1nocc1N 1P01EK3W [0,2,0,0,0,0|2,0,0]=4 2579 B8R1.11 CCc1nocc1N 1P0286HW [0,2,0,0,0,0|2,0,0]=4 2580 B8R1.11 CCc1nonc1N 1P019UTA [0,2,0,0,0,0|2,0,0]=4 2581 B8R1.11 CCc1nscc1N 1P027NP7 [0,2,0,0,0,0|2,0,0]=4 2582 B8R1.11 CCc1ocnc1I 1P028UDH [0,2,0,0,0,0|2,0,0]=4 2583 B8R1.11 CCc1oncc1N 1P01B9EE [0,2,0,0,0,0|2,0,0]=4 2584 B8R1.11 CCc1scnc1C 1P00C09C [0,2,0,0,0,0|2,0,0]=4 2585 B8R1.11 CCn1cc[nH]c1=O 1P000HG0 [0,2,0,0,0,0|2,0,0]=4 2586 B8R1.11 CCn1ccnc1Br 1P00FDHC [0,2,0,0,0,0|2,0,0]=4 2587 B8R1.11 CCn1ccnc1Br 1P00J2XU [0,2,0,0,0,0|2,0,0]=4 2588 B8R1.11 CCn1ccnc1C 1P007P91 [0,2,0,0,0,0|2,0,0]=4 2589 B8R1.11 CCn1ccnc1Cl 1P00IIUO [0,2,0,0,0,0|2,0,0]=4 2590 B8R1.11 CCn1ccnc1N 1P01RIE9 [0,2,0,0,0,0|2,0,0]=4 2591 B8R1.11 CCn1ccnc1S 1P007X2J [0,2,0,0,0,0|2,0,0]=4 2592 B8R1.11 CCn1cn[nH]c1=S 1P00BQOR [0,2,0,0,0,0|1,0,0]=3 2593 B8R1.11 CCn1cnnc1Br 1P00H8YU [0,2,0,0,0,0|1,0,1]=4 2594 B8R1.11 CCn1cnnc1C 1P01A9K5 [0,2,0,0,0,0|1,0,1]=4 2595 B8R1.11 CCn1cnnc1N 1P01B9Z8 [0,2,0,0,0,0|1,0,1]=4 2596 B8R1.11 CCn1cnnc1O 1P028Z7S [0,2,0,0,0,0|1,0,1]=4 2597 B8R1.11 CCn1nccc1C 1P00JCO2 [0,2,0,0,0,0|2,0,0]=4 2598 B8R1.11 CNc1ccnn1C 1P01AKMK [0,2,0,0,0,0|2,0,0]=4 2599 B8R1.11 CNc1ccnn1C 1P01AKML [0,2,0,0,0,0|2,0,0]=4 2600 B8R1.11 CNc1csnc1C 1P01FK14 [0,2,0,0,0,0|1,0,0]=3 2601 B8R1.11 CNc1nncn1C 1P01A50J [0,2,0,0,0,0|1,0,1]=4 2602 B8R1.11 CNc1nocc1C 1P028YWG [0,2,0,0,0,0|1,0,0]=3 2603 B8R1.11 CNc1nonc1C 1P027VVI [0,2,0,0,0,0|2,0,0]=4 2604 B8R1.11 COc1c(Br)cn[nH]1 1P00HDCZ [0,2,0,0,0,0|1,0,0]=3 2605 B8R1.11 COc1ccnn1C 1P00HUAZ [0,2,0,0,0,0|2,0,0]=4 2606 B8R1.11 COc1cn[nH]c1N 1P01E9LF [0,2,0,0,0,0|0,0,0]=2 2607 B8R1.11 COc1n[nH]cc1C 1P01EJ5X [0,2,0,0,0,0|0,0,0]=2 2608 B8R1.11 COc1n[nH]cc1I 1P00HUB0 [0,2,0,0,0,0|1,0,0]=3 2609 B8R1.11 COc1nonc1N 1P005MR3 [0,2,0,0,0,0|2,0,0]=4 2610 B8R1.11 COc1nscc1Br 1P01A294 [0,2,0,0,0,0|2,0,0]=4 2611 B8R1.11 COc1nscc1I 1P028CPJ [0,2,0,0,0,0|2,0,0]=4 2612 B8R1.11 COc1oncc1Br 1P020KKP [0,2,0,0,0,0|2,0,0]=4 2613 B8R1.11 CSc1ccoc1C 1P003I2Z [0,2,0,0,0,0|2,0,0]=4 2614 B8R1.11 CSc1cn[nH]c1N 1P019U13 [0,2,0,0,0,0|0,0,0]=2 2615 B8R1.11 CSc1cn[nH]c1N 1P019U14 [0,2,0,0,0,0|0,0,0]=2 2616 B8R1.11 CSc1cscc1Br 1P01HIP5 [0,2,0,0,0,0|2,0,0]=4 2617 B8R1.11 CSc1nccn1C 1P001KPA [0,2,0,0,0,0|2,0,0]=4 2618 B8R1.11 Cc1c(C=O)nc[nH]1 1P003NBH [0,2,0,0,0,0|2,0,0]=4 2619 B8R1.11 Cc1c(CN)nn[nH]1 1P01A50V [0,2,0,0,0,0|1,0,0]=3 2620 B8R1.11 Cc1c(CN)nn[nH]1 1P0286B4 [0,2,0,0,0,0|1,0,0]=3 2621 B8R1.11 Cc1c(CO)nn[nH]1 1P028WYZ [0,2,0,0,0,0|1,0,0]=3 2622 B8R1.11 Cc1c(cn[nH]1)C#C 1P027ZR4 [0,2,0,0,0,0|0,0,1]=3 2623 B8R1.11 Cc1c(nc[nH]1)C#N 1P008TD0 [0,2,0,0,0,0|2,0,0]=4 2624 B8R1.11 Cc1c[nH]cc1C#N 1P01A01L [0,2,0,0,0,0|1,0,0]=3 2625 B8R1.11 Cc1c[nH]nc1C#C 1P02921G [0,2,0,0,0,0|0,0,0]=2 2626 B8R1.11 Cc1c[nH]nc1C#N 1P01E339 [0,2,0,0,0,0|0,0,0]=2 2627 B8R1.11 Cc1c[nH]nc1C=O 1P01B8B4 [0,2,0,0,0,0|0,0,0]=2 2628 B8R1.11 Cc1c[nH]nc1CCl 1P01E9IH [0,2,0,0,0,0|0,0,0]=2 2629 B8R1.11 Cc1c[nH]nc1CO 1P01BH3L [0,2,0,0,0,0|0,0,0]=2 2630 B8R1.11 Cc1cnoc1C#N 1P028PN3 [0,2,0,0,0,0|1,0,0]=3 2631 B8R1.11 Cc1cnoc1C=O 1P028SY7 [0,2,0,0,0,0|1,0,0]=3 2632 B8R1.11 Cc1cnoc1CO 1P01UOB5 [0,2,0,0,0,0|1,0,0]=3 2633 B8R1.11 Cc1cnsc1C=O 1P00490Z [0,2,0,0,0,0|1,0,0]=3 2634 B8R1.11 Cc1cocc1C=O 1P0289XQ [0,2,0,0,0,0|2,0,0]=4 2635 B8R1.11 Cc1cocc1CN 1P027YZU [0,2,0,0,0,0|2,0,0]=4 2636 B8R1.11 Cc1conc1C#C 1P028ZB2 [0,2,0,0,0,0|1,0,0]=3 2637 B8R1.11 Cc1conc1C#N 1P01SWX8 [0,2,0,0,0,0|1,0,0]=3 2638 B8R1.11 Cc1conc1C=O 1P00HBLY [0,2,0,0,0,0|1,0,0]=3 2639 B8R1.11 Cc1conc1CBr 1P01DTUW [0,2,0,0,0,0|1,0,0]=3 2640 B8R1.11 Cc1conc1CO 1P01BVDX [0,2,0,0,0,0|1,0,0]=3 2641 B8R1.11 Cc1conc1CS 1P0285XB [0,2,0,0,0,0|1,0,0]=3 2642 B8R1.11 Cc1cscc1C#C 1P028O1I [0,2,0,0,0,0|2,0,0]=4 2643 B8R1.11 Cc1cscc1C#N 1P005QEY [0,2,0,0,0,0|2,0,0]=4 2644 B8R1.11 Cc1cscc1C=O 1P00G8DI [0,2,0,0,0,0|2,0,0]=4 2645 B8R1.11 Cc1cscc1CN 1P0091TD [0,2,0,0,0,0|2,0,0]=4 2646 B8R1.11 Cc1cscc1CO 1P01ANQF [0,2,0,0,0,0|2,0,0]=4 2647 B8R1.11 Cc1csnc1C=O 1P01DVF3 [0,2,0,0,0,0|1,0,0]=3 2648 B8R1.11 Cc1csnc1CCl 1P027UC2 [0,2,0,0,0,0|1,0,0]=3 2649 B8R1.11 Cc1csnc1CO 1P028AK7 [0,2,0,0,0,0|1,0,0]=3 2650 B8R1.11 Cc1n[nH]cc1C#N 1P001011 [0,2,0,0,0,0|0,0,1]=3 2651 B8R1.11 Cc1n[nH]cc1C=O 1P003K5C [0,2,0,0,0,0|0,0,1]=3 2652 B8R1.11 Cc1n[nH]cc1CN 1P00039D [0,2,0,0,0,0|0,0,0]=2 2653 B8R1.11 Cc1n[nH]cc1CN 1P019XQ2 [0,2,0,0,0,0|0,0,0]=2 2654 B8R1.11 Cc1n[nH]cc1CO 1P006WCZ [0,2,0,0,0,0|0,0,0]=2 2655 B8R1.11 Cc1nc[nH]c1CCl 1P00DFNK [0,2,0,0,0,0|2,0,0]=4 2656 B8R1.11 Cc1nc[nH]c1CN 1P00FS4D [0,2,0,0,0,0|2,0,0]=4 2657 B8R1.11 Cc1nc[nH]c1CO 1P002ZFD [0,2,0,0,0,0|2,0,0]=4 2658 B8R1.11 Cc1nc[nH]c1CO 1P003M7Q [0,2,0,0,0,0|2,0,0]=4 2659 B8R1.11 Cc1ncoc1CCl 1P00DLW6 [0,2,0,0,0,0|2,0,0]=4 2660 B8R1.11 Cc1ncoc1CCl 1P021N13 [0,2,0,0,0,0|2,0,0]=4 2661 B8R1.11 Cc1ncoc1CN 1P01AM79 [0,2,0,0,0,0|2,0,0]=4 2662 B8R1.11 Cc1ncoc1CN 1P01EIJH [0,2,0,0,0,0|2,0,0]=4 2663 B8R1.11 Cc1ncoc1CO 1P003M63 [0,2,0,0,0,0|2,0,0]=4 2664 B8R1.11 Cc1ncsc1CBr 1P00J3DE [0,2,0,0,0,0|2,0,0]=4 2665 B8R1.11 Cc1ncsc1CCl 1P000UJQ [0,2,0,0,0,0|2,0,0]=4 2666 B8R1.11 Cc1ncsc1CN 1P00G55H [0,2,0,0,0,0|2,0,0]=4 2667 B8R1.11 Cc1ncsc1CO 1P002BFI [0,2,0,0,0,0|2,0,0]=4 2668 B8R1.11 Cc1nocc1CBr 1P01E8TO [0,2,0,0,0,0|1,0,0]=3 2669 B8R1.11 Cc1nocc1CCl 1P003WAH [0,2,0,0,0,0|1,0,0]=3 2670 B8R1.11 Cc1nocc1CN 1P0013IW [0,2,0,0,0,0|1,0,0]=3 2671 B8R1.11 Cc1nocc1CN 1P001BI9 [0,2,0,0,0,0|1,0,0]=3 2672 B8R1.11 Cc1nocc1CO 1P000274 [0,2,0,0,0,0|1,0,0]=3 2673 B8R1.11 Cc1nocc1CS 1P028FRL [0,2,0,0,0,0|1,0,0]=3 2674 B8R1.11 Cc1nonc1C=O 1P00IGMN [0,2,0,0,0,0|2,0,0]=4 2675 B8R1.11 Cc1nonc1CBr 1P00J37H [0,2,0,0,0,0|2,0,0]=4 2676 B8R1.11 Cc1nonc1CCl 1P0033XG [0,2,0,0,0,0|2,0,0]=4 2677 B8R1.11 Cc1nonc1CN 1P000HSB [0,2,0,0,0,0|2,0,0]=4 2678 B8R1.11 Cc1nonc1CN 1P007HU1 [0,2,0,0,0,0|2,0,0]=4 2679 B8R1.11 Cc1nonc1CO 1P0053ZA [0,2,0,0,0,0|2,0,0]=4 2680 B8R1.11 Cc1nonc1CS 1P0284JS [0,2,0,0,0,0|2,0,0]=4 2681 B8R1.11 Cc1nscc1C#C 1P028F3X [0,2,0,0,0,0|1,0,1]=4 2682 B8R1.11 Cc1nscc1C#N 1P00EDSA [0,2,0,0,0,0|1,0,1]=4 2683 B8R1.11 Cc1nscc1C=O 1P01DZBM [0,2,0,0,0,0|1,0,1]=4 2684 B8R1.11 Cc1nscc1CCl 1P02907E [0,2,0,0,0,0|1,0,0]=3 2685 B8R1.11 Cc1nscc1CO 1P01DZBN [0,2,0,0,0,0|1,0,0]=3 2686 B8R1.11 Cc1occc1CN 1P00C939 [0,2,0,0,0,0|2,0,0]=4 2687 B8R1.11 Cc1occc1CN 1P019XAT [0,2,0,0,0,0|2,0,0]=4 2688 B8R1.11 Cc1occc1CO 1P003IP1 [0,2,0,0,0,0|2,0,0]=4 2689 B8R1.11 Cc1ocnc1C#C 1P028IZI [0,2,0,0,0,0|2,0,0]=4 2690 B8R1.11 Cc1ocnc1C#N 1P01A3FL [0,2,0,0,0,0|2,0,0]=4 2691 B8R1.11 Cc1ocnc1C=O 1P00MDY4 [0,2,0,0,0,0|2,0,0]=4 2692 B8R1.11 Cc1ocnc1CCl 1P000LYP [0,2,0,0,0,0|2,0,0]=4 2693 B8R1.11 Cc1ocnc1CO 1P00GW29 [0,2,0,0,0,0|2,0,0]=4 2694 B8R1.11 Cc1oncc1C#N 1P00J3CY [0,2,0,0,0,0|1,0,1]=4 2695 B8R1.11 Cc1oncc1C=O 1P028ZLY [0,2,0,0,0,0|1,0,1]=4 2696 B8R1.11 Cc1oncc1CCl 1P00HB0T [0,2,0,0,0,0|1,0,0]=3 2697 B8R1.11 Cc1oncc1CN 1P001BIA [0,2,0,0,0,0|1,0,0]=3 2698 B8R1.11 Cc1oncc1CN 1P01DI32 [0,2,0,0,0,0|1,0,0]=3 2699 B8R1.11 Cc1oncc1CO 1P00027F [0,2,0,0,0,0|1,0,0]=3 2700 B8R1.11 Cc1sccc1CCl 1P027UD7 [0,2,0,0,0,0|2,0,0]=4 2701 B8R1.11 Cc1sccc1CN 1P01FJXJ [0,2,0,0,0,0|2,0,0]=4 2702 B8R1.11 Cc1scnc1C=O 1P002SGK [0,2,0,0,0,0|2,0,0]=4 2703 B8R1.11 Cc1scnc1CCl 1P00HWGE [0,2,0,0,0,0|2,0,0]=4 2704 B8R1.11 Cc1scnc1CN 1P028ZJJ [0,2,0,0,0,0|2,0,0]=4 2705 B8R1.11 Cc1scnc1CO 1P004N28 [0,2,0,0,0,0|2,0,0]=4 2706 B8R1.11 Cc1scnc1CO 1P00J30A [0,2,0,0,0,0|2,0,0]=4 2707 B8R1.11 Cc1sncc1C=O 1P01EMPQ [0,2,0,0,0,0|1,0,1]=4 2708 B8R1.11 Cc1snnc1CO 1P00HIYY [0,2,0,0,0,0|1,0,1]=4 2709 B8R1.11 ClCc1ccsc1Cl 1P0082W6 [0,2,0,0,0,0|2,0,0]=4 2710 B8R1.11 ClCc1cnnn1C 1P01BCLU [0,2,0,0,0,0|1,0,1]=4 2711 B8R1.11 ClCc1conc1Br 1P02820G [0,2,0,0,0,0|1,0,0]=3 2712 B8R1.11 ClCc1cscc1Br 1P01M4MQ [0,2,0,0,0,0|2,0,0]=4 2713 B8R1.11 ClCc1cscc1Cl 1P0286P8 [0,2,0,0,0,0|2,0,0]=4 2714 B8R1.11 ClCc1nccn1C 1P002G9F [0,2,0,0,0,0|2,0,0]=4 2715 B8R1.11 ClCc1nccn1C 1P005KGZ [0,2,0,0,0,0|2,0,0]=4 2716 B8R1.11 ClCc1nnsc1Cl 1P004EB3 [0,2,0,0,0,0|2,0,0]=4 2717 B8R1.11 ClCc1nocc1Br 1P0283OK [0,2,0,0,0,0|2,0,0]=4 2718 B8R1.11 ClCc1nocc1Cl 1P0282LI [0,2,0,0,0,0|2,0,0]=4 2719 B8R1.11 ClCc1snnc1C 1P0051G6 [0,2,0,0,0,0|1,0,1]=4 2720 B8R1.11 Clc1c(nn[nH]1)C#N 1P01C2HQ [0,2,0,0,0,0|1,0,1]=4 2721 B8R1.11 Clc1c[nH]nc1C=O 1P00EEEH [0,2,0,0,0,0|1,0,0]=3 2722 B8R1.11 Clc1cn[nH]c1C#N 1P00CNLD [0,2,0,0,0,0|1,0,0]=3 2723 B8R1.11 Clc1sccc1CBr 1P00BYC2 [0,2,0,0,0,0|2,0,0]=4 2724 B8R1.11 Cn1cncc1C#C 1P005QED [0,2,0,0,0,0|2,0,0]=4 2725 B8R1.11 Cn1cncc1C#N 1P00FAET [0,2,0,0,0,0|2,0,0]=4 2726 B8R1.11 Cn1cncc1C=O 1P00772I [0,2,0,0,0,0|2,0,0]=4 2727 B8R1.11 Cn1cncc1CBr 1P01FT49 [0,2,0,0,0,0|2,0,0]=4 2728 B8R1.11 Cn1cncc1CCl 1P0063OI [0,2,0,0,0,0|2,0,0]=4 2729 B8R1.11 Cn1cncc1CCl 1P00IGR0 [0,2,0,0,0,0|2,0,0]=4 2730 B8R1.11 Cn1cncc1CN 1P00D8NH [0,2,0,0,0,0|2,0,0]=4 2731 B8R1.11 Cn1cncc1CO 1P0077J0 [0,2,0,0,0,0|2,0,0]=4 2732 B8R1.11 Cn1cnnc1CBr 1P00HWO7 [0,2,0,0,0,0|1,0,1]=4 2733 B8R1.11 Cn1cnnc1CCl 1P00J369 [0,2,0,0,0,0|1,0,1]=4 2734 B8R1.11 Cn1cnnc1CN 1P001DZQ [0,2,0,0,0,0|1,0,1]=4 2735 B8R1.11 Cn1cnnc1CO 1P00EIT9 [0,2,0,0,0,0|1,0,1]=4 2736 B8R1.11 Cn1cnnc1NN 1P019MVN [0,2,0,0,0,0|1,0,1]=4 2737 B8R1.11 Cn1nccc1CBr 1P01BSNZ [0,2,0,0,0,0|2,0,0]=4 2738 B8R1.11 Cn1nccc1CCl 1P003MNQ [0,2,0,0,0,0|2,0,0]=4 2739 B8R1.11 Cn1nccc1CCl 1P00G7HY [0,2,0,0,0,0|2,0,0]=4 2740 B8R1.11 Cn1nccc1CN 1P003MNB [0,2,0,0,0,0|2,0,0]=4 2741 B8R1.11 Cn1nccc1CN 1P0093F9 [0,2,0,0,0,0|2,0,0]=4 2742 B8R1.11 Cn1nccc1CO 1P008I3U [0,2,0,0,0,0|2,0,0]=4 2743 B8R1.11 Cn1nccc1CS 1P028GXP [0,2,0,0,0,0|2,0,0]=4 2744 B8R1.11 Fc1cscc1CBr 1P0281CA [0,2,0,0,0,0|2,0,0]=4 2745 B8R1.11 Fc1cscc1CCl 1P028ZRC [0,2,0,0,0,0|2,0,0]=4 2746 B8R1.11 Ic1cn[nH]c1C#N 1P009KAX [0,2,0,0,0,0|1,0,0]=3 2747 B8R1.11 Ic1n[nH]cc1C#N 1P0050IK [0,2,0,0,0,0|0,0,1]=3 2748 B8R1.11 N#CC1=C(C)C=CN1 1P01G7RI [0,2,0,0,0,0|1,0,0]=3 2749 B8R1.11 N#Cc1nccn1C 1P00DEI9 [0,2,0,0,0,0|2,0,0]=4 2750 B8R1.11 N#Cc1sccc1C 1P003K8R [0,2,0,0,0,0|2,0,0]=4 2751 B8R1.11 N#Cc1snnc1C 1P0020Q7 [0,2,0,0,0,0|2,0,0]=4 2752 B8R1.11 NCc1c(Br)cn[nH]1 1P0292UG [0,2,0,0,0,0|1,0,0]=3 2753 B8R1.11 NCc1c[nH]nc1C 1P01A7EA [0,2,0,0,0,0|0,0,0]=2 2754 B8R1.11 NCc1ccnn1C 1P0091AA [0,2,0,0,0,0|2,0,0]=4 2755 B8R1.11 NCc1ccsc1Br 1P001Q2F [0,2,0,0,0,0|2,0,0]=4 2756 B8R1.11 NCc1ccsc1Cl 1P028ZZB [0,2,0,0,0,0|2,0,0]=4 2757 B8R1.11 NCc1ccsc1I 1P028B92 [0,2,0,0,0,0|2,0,0]=4 2758 B8R1.11 NCc1cncn1C 1P0013QI [0,2,0,0,0,0|2,0,0]=4 2759 B8R1.11 NCc1cnnn1C 1P01BBZ8 [0,2,0,0,0,0|1,0,1]=4 2760 B8R1.11 NCc1cnnn1C 1P01BBZ9 [0,2,0,0,0,0|1,0,1]=4 2761 B8R1.11 NCc1conc1Br 1P0281MB [0,2,0,0,0,0|1,0,0]=3 2762 B8R1.11 NCc1cscc1Br 1P001NHI [0,2,0,0,0,0|2,0,0]=4 2763 B8R1.11 NCc1cscc1I 1P028M4W [0,2,0,0,0,0|2,0,0]=4 2764 B8R1.11 NCc1csnc1C 1P027W0J [0,2,0,0,0,0|1,0,0]=3 2765 B8R1.11 NCc1n[nH]cc1C 1P00ILM5 [0,2,0,0,0,0|0,0,0]=2 2766 B8R1.11 NCc1nc[nH]c1C 1P019TWY [0,2,0,0,0,0|2,0,0]=4 2767 B8R1.11 NCc1nccn1C 1P000MAC [0,2,0,0,0,0|2,0,0]=4 2768 B8R1.11 NCc1nccn1C 1P007XU1 [0,2,0,0,0,0|2,0,0]=4 2769 B8R1.11 NCc1nccn1C 1P00DIDN [0,2,0,0,0,0|2,0,0]=4 2770 B8R1.11 NCc1nocc1Br 1P024NNH [0,2,0,0,0,0|2,0,0]=4 2771 B8R1.11 NCc1nocc1Cl 1P0290VX [0,2,0,0,0,0|2,0,0]=4 2772 B8R1.11 NCc1occc1C 1P00CM1P [0,2,0,0,0,0|2,0,0]=4 2773 B8R1.11 NCc1sccc1C 1P003C9G [0,2,0,0,0,0|2,0,0]=4 2774 B8R1.11 NCc1sccc1C 1P00HBEG [0,2,0,0,0,0|2,0,0]=4 2775 B8R1.11 NCc1sncc1Br 1P01C71U [0,2,0,0,0,0|2,0,0]=4 2776 B8R1.11 NCc1snnc1C 1P0054CL [0,2,0,0,0,0|1,0,1]=4 2777 B8R1.11 NNc1nccn1C 1P01AM4H [0,2,0,0,0,0|2,0,0]=4 2778 B8R1.11 NNc1nccn1C 1P01C52O [0,2,0,0,0,0|2,0,0]=4 2779 B8R1.11 Nc1c(C=O)cn[nH]1 1P028XNJ [0,2,0,0,0,0|0,0,1]=3 2780 B8R1.11 Nc1c(cc[nH]1)C#N 1P005JZ0 [0,2,0,0,0,0|1,0,1]=4 2781 B8R1.11 Nc1c(cn[nH]1)C#N 1P008ZHR [0,2,0,0,0,0|0,0,1]=3 2782 B8R1.11 Nc1c[nH]nc1C#N 1P00FGV1 [0,2,0,0,0,0|1,0,0]=3 2783 B8R1.11 Nc1n[nH]cc1C#N 1P001X0F [0,2,0,0,0,0|0,0,1]=3 2784 B8R1.11 Nc1nocc1C#N 1P00BDO5 [0,2,0,0,0,0|1,0,1]=4 2785 B8R1.11 Nc1nonc1CO 1P0251JX [0,2,0,0,0,0|2,0,0]=4 2786 B8R1.11 Nc1oncc1C#N 1P003MV0 [0,2,0,0,0,0|1,0,1]=4 2787 B8R1.11 Nc1sncc1C#N 1P00HX2Z [0,2,0,0,0,0|1,0,1]=4 2788 B8R1.11 O=CC1=NSC=C1Br 1P01K6BV [0,2,0,0,0,0|2,0,0]=4 2789 B8R1.11 O=Cc1[nH]ccc1Br 1P00CRE5 [0,2,0,0,0,0|2,0,0]=4 2790 B8R1.11 O=Cc1[nH]ccc1C 1P007OR5 [0,2,0,0,0,0|1,0,0]=3 2791 B8R1.11 O=Cc1nccn1C 1P0013VA [0,2,0,0,0,0|2,0,0]=4 2792 B8R1.11 O=Cc1sccc1C 1P00347R [0,2,0,0,0,0|2,0,0]=4 2793 B8R1.11 O=Cc1snnc1C 1P000X5J [0,2,0,0,0,0|2,0,0]=4 2794 B8R1.11 OCC1=CCCC1=O 1P00618A [0,2,0,0,0,0|2,0,0]=4 2795 B8R1.11 OCc1ccsc1Br 1P005X2K [0,2,0,0,0,0|2,0,0]=4 2796 B8R1.11 OCc1ccsc1Cl 1P0085TY [0,2,0,0,0,0|2,0,0]=4 2797 B8R1.11 OCc1cnnn1C 1P0055OK [0,2,0,0,0,0|1,0,1]=4 2798 B8R1.11 OCc1cscc1Br 1P005KWB [0,2,0,0,0,0|2,0,0]=4 2799 B8R1.11 OCc1cscc1Cl 1P028IAN [0,2,0,0,0,0|2,0,0]=4 2800 B8R1.11 OCc1cscc1F 1P028BZ7 [0,2,0,0,0,0|2,0,0]=4 2801 B8R1.11 OCc1n[nH]cc1Br 1P01DLB8 [0,2,0,0,0,0|1,0,0]=3 2802 B8R1.11 OCc1n[nH]cc1O 1P028RDN [0,2,0,0,0,0|1,0,0]=3 2803 B8R1.11 OCc1nccn1C 1P001ZA4 [0,2,0,0,0,0|2,0,0]=4 2804 B8R1.11 OCc1nccn1C 1P01A20A [0,2,0,0,0,0|2,0,0]=4 2805 B8R1.11 OCc1nnsc1Cl 1P01A3W8 [0,2,0,0,0,0|2,0,0]=4 2806 B8R1.11 OCc1nocc1Br 1P0280V7 [0,2,0,0,0,0|2,0,0]=4 2807 B8R1.11 OCc1nocc1Cl 1P0282H2 [0,2,0,0,0,0|2,0,0]=4 2808 B8R1.11 OCc1occc1C 1P00C2AP [0,2,0,0,0,0|2,0,0]=4 2809 B8R1.11 OCc1oncc1Br 1P0293A7 [0,2,0,0,0,0|2,0,0]=4 2810 B8R1.11 OCc1sccc1C 1P00EJFD [0,2,0,0,0,0|2,0,0]=4 2811 B8R1.11 OCc1scnc1Br 1P002SVS [0,2,0,0,0,0|2,0,0]=4 2812 B8R1.11 OCc1scnc1Cl 1P0008BK [0,2,0,0,0,0|2,0,0]=4 2813 B8R1.11 OCc1sncc1Br 1P01C71R [0,2,0,0,0,0|2,0,0]=4 2814 B8R1.11 OCc1sncc1I 1P028WSY [0,2,0,0,0,0|2,0,0]=4 2815 B8R1.11 OCc1snnc1C 1P001U2A [0,2,0,0,0,0|1,0,1]=4 2816 B8R1.11 SCc1occc1C 1P01EJ9G [0,2,0,0,0,0|2,0,0]=4 2817 B8R1.18 Brc1[nH]c(c(n1)Br)C 1P003GDF [0,2,0,0,0,0|2,0,0]=4 2818 B8R1.18 Brc1cn(c(c1)N)C 1P02892E [0,2,0,0,0,0|2,0,0]=4 2819 B8R1.18 Brc1cn(c(n1)C)C 1P0036WQ [0,2,0,0,0,0|2,0,0]=4 2820 B8R1.18 Brc1cn(c(n1)N)C 1P001UDC [0,2,0,0,0,0|2,0,0]=4 2821 B8R1.18 Brc1nc(n(c1)C)Br 1P00DASK [0,2,0,0,0,0|2,0,0]=4 2822 B8R1.18 Brc1nn(c(c1)C)C 1P003A8R [0,2,0,0,0,0|2,0,0]=4 2823 B8R1.18 Brc1nn(nc1Br)C 1P002XKU [0,2,0,0,0,0|2,0,0]=4 2824 B8R1.18 Brc1oc(c(n1)C)C 1P000LYQ [0,2,0,0,0,0|2,0,0]=4 2825 B8R1.18 Brc1sc(c(c1)C)Br 1P0010DT [0,2,0,0,0,0|2,0,0]=4 2826 B8R1.18 Brc1sc(c(n1)Br)C 1P003G69 [0,2,0,0,0,0|2,0,0]=4 2827 B8R1.18 Brc1sc(c(n1)C)C 1P0038K6 [0,2,0,0,0,0|2,0,0]=4 2828 B8R1.18 C=C1OC(=O)C(=C1)C 1P01GOIN [0,2,0,0,0,0|2,0,0]=4 2829 B8R1.18 Cc1[nH]c(=O)[nH]c1C 1P007TOE [0,2,0,0,0,0|2,0,0]=4 2830 B8R1.18 Cc1[nH]c(=S)[nH]c1C 1P000ISZ [0,2,0,0,0,0|2,0,0]=4 2831 B8R1.18 Cc1[nH]c(c(n1)Br)C 1P00J2KK [0,2,0,0,0,0|2,0,0]=4 2832 B8R1.18 Cc1[nH]c(c(n1)C)C 1P0056FW [0,2,0,0,0,0|2,0,0]=4 2833 B8R1.18 Cc1[nH]c(c(n1)C)C 1P01BURG [0,2,0,0,0,0|2,0,0]=4 2834 B8R1.18 Cc1[nH]c(c(n1)C)I 1P01NWJN [0,2,0,0,0,0|2,0,0]=4 2835 B8R1.18 Cc1[nH]n(c(=O)c1)C 1P00CJAK [0,2,0,0,0,0|2,0,0]=4 2836 B8R1.18 Cc1cc(n(n1)C)C 1P003DXC [0,2,0,0,0,0|2,0,0]=4 2837 B8R1.18 Cc1cn(c(=O)[nH]1)C 1P01B7GU [0,2,0,0,0,0|2,0,0]=4 2838 B8R1.18 Cc1cn(c(n1)Br)C 1P002O3B [0,2,0,0,0,0|2,0,0]=4 2839 B8R1.18 Cc1cn(c(n1)N)C 1P028KME [0,2,0,0,0,0|2,0,0]=4 2840 B8R1.18 Cc1nc(n(c1)C)C 1P01G67B [0,2,0,0,0,0|2,0,0]=4 2841 B8R1.18 Cc1nn(c(c1)Br)C 1P001U78 [0,2,0,0,0,0|2,0,0]=4 2842 B8R1.18 Cc1nn(c(c1)Br)C 1P00EA5Q [0,2,0,0,0,0|2,0,0]=4 2843 B8R1.18 Cc1nn(c(c1)Cl)C 1P003N2B [0,2,0,0,0,0|2,0,0]=4 2844 B8R1.18 Cc1nn(c(c1)F)C 1P00JGO9 [0,2,0,0,0,0|2,0,0]=4 2845 B8R1.18 Cc1nn(c(c1)I)C 1P00GQDO [0,2,0,0,0,0|2,0,0]=4 2846 B8R1.18 Cc1nn(c(c1)N)C 1P007FCA [0,2,0,0,0,0|2,0,0]=4 2847 B8R1.18 Cc1nn(c(c1)O)C 1P00DESB [0,2,0,0,0,0|2,0,0]=4 2848 B8R1.18 Cc1oc(c(n1)C)C 1P002J26 [0,2,0,0,0,0|2,0,0]=4 2849 B8R1.18 Cc1sc(c(c1)C)Br 1P00AOIX [0,2,0,0,0,0|2,0,0]=4 2850 B8R1.18 Cc1sc(c(c1)C)C 1P0027I0 [0,2,0,0,0,0|2,0,0]=4 2851 B8R1.18 Cc1sc(c(c1)C)S 1P01C7O2 [0,2,0,0,0,0|2,0,0]=4 2852 B8R1.18 Cc1sc(c(n1)Br)C 1P00IGPX [0,2,0,0,0,0|2,0,0]=4 2853 B8R1.18 Cc1sc(c(n1)C)C 1P003BKT [0,2,0,0,0,0|2,0,0]=4 2854 B8R1.18 Cc1sc(c(n1)I)C 1P027XKD [0,2,0,0,0,0|2,0,0]=4 2855 B8R1.18 ClC1OC(=O)C(=C1)C 1P01JG5D [0,2,0,0,0,0|2,0,0]=4 2856 B8R1.18 Clc1[nH]c(c(n1)C)C 1P00HAX4 [0,2,0,0,0,0|2,0,0]=4 2857 B8R1.18 Clc1nc(c(o1)C)I 1P02936H [0,2,0,0,0,0|2,0,0]=4 2858 B8R1.18 Clc1nc(c(s1)C)Br 1P01EHU2 [0,2,0,0,0,0|2,0,0]=4 2859 B8R1.18 Clc1nn(c(c1)C)C 1P00E2G0 [0,2,0,0,0,0|2,0,0]=4 2860 B8R1.18 Clc1oc(c(n1)C)C 1P028JBS [0,2,0,0,0,0|2,0,0]=4 2861 B8R1.18 Clc1sc(c(c1)C)Cl 1P003GDQ [0,2,0,0,0,0|2,0,0]=4 2862 B8R1.18 Clc1sc(c(n1)C)C 1P00EKTP [0,2,0,0,0,0|2,0,0]=4 2863 B8R1.18 Clc1sc(c(n1)Cl)C 1P0085K0 [0,2,0,0,0,0|2,0,0]=4 2864 B8R1.18 Cn1cc(c(n1)Br)C 1P0013RS [0,2,0,0,0,0|0,0,0]=2 2865 B8R1.18 Cn1cc(c(n1)Br)F 1P01JUX6 [0,2,0,0,0,0|1,0,0]=3 2866 B8R1.18 Cn1cc(c(n1)Br)I 1P01ELUJ [0,2,0,0,0,0|1,0,0]=3 2867 B8R1.18 Cn1cc(c(n1)Br)N 1P01B2UW [0,2,0,0,0,0|1,0,0]=3 2868 B8R1.18 Cn1cc(c(n1)C)Br 1P0034DQ [0,2,0,0,0,0|1,0,0]=3 2869 B8R1.18 Cn1cc(c(n1)C)Br 1P01AV8V [0,2,0,0,0,0|1,0,0]=3 2870 B8R1.18 Cn1cc(c(n1)C)Cl 1P001RBT [0,2,0,0,0,0|1,0,0]=3 2871 B8R1.18 Cn1cc(c(n1)C)I 1P00FGTF [0,2,0,0,0,0|1,0,0]=3 2872 B8R1.18 Cn1cc(c(n1)C)N 1P000FKM [0,2,0,0,0,0|1,0,0]=3 2873 B8R1.18 Cn1cc(c(n1)C)N 1P002B95 [0,2,0,0,0,0|1,0,0]=3 2874 B8R1.18 Cn1cc(c(n1)C)N 1P00EAL2 [0,2,0,0,0,0|1,0,0]=3 2875 B8R1.18 Cn1cc(c(n1)C)O 1P00IEAZ [0,2,0,0,0,0|1,0,0]=3 2876 B8R1.18 Cn1cc(c(n1)C)S 1P01XIDW [0,2,0,0,0,0|1,0,0]=3 2877 B8R1.18 Cn1cc(c(n1)Cl)N 1P00AC38 [0,2,0,0,0,0|1,0,0]=3 2878 B8R1.18 Cn1cc(c(n1)Cl)N 1P028D75 [0,2,0,0,0,0|1,0,0]=3 2879 B8R1.18 Cn1cc(c(n1)F)Br 1P0026KL [0,2,0,0,0,0|1,0,0]=3 2880 B8R1.18 Cn1cc(c(n1)F)N 1P0288AB [0,2,0,0,0,0|1,0,0]=3 2881 B8R1.18 Cn1cc(c(n1)F)N 1P028KE8 [0,2,0,0,0,0|1,0,0]=3 2882 B8R1.18 Cn1cc(c(n1)I)Br 1P01BCBG [0,2,0,0,0,0|1,0,0]=3 2883 B8R1.18 Cn1cc(c(n1)I)C 1P001BNS [0,2,0,0,0,0|0,0,0]=2 2884 B8R1.18 Cn1cc(c(n1)N)Br 1P001EXO [0,2,0,0,0,0|1,0,0]=3 2885 B8R1.18 Cn1cc(c(n1)N)C 1P00G5FI [0,2,0,0,0,0|0,0,0]=2 2886 B8R1.18 Cn1cc(c(n1)N)C 1P01B7IB [0,2,0,0,0,0|0,0,0]=2 2887 B8R1.18 Cn1cc(c(n1)N)Cl 1P0002ZT [0,2,0,0,0,0|1,0,0]=3 2888 B8R1.18 Cn1cc(c(n1)N)I 1P01AP4N [0,2,0,0,0,0|1,0,0]=3 2889 B8R1.18 Cn1cc(c(n1)O)C 1P028Z4Z [0,2,0,0,0,0|0,0,0]=2 2890 B8R1.18 Cn1cc(c(n1)O)I 1P023JA1 [0,2,0,0,0,0|1,0,0]=3 2891 B8R1.18 Cn1cc(c(n1)O)N 1P028XVF [0,2,0,0,0,0|1,0,0]=3 2892 B8R1.18 Cn1cc(c(n1)O)N 1P028YVQ [0,2,0,0,0,0|1,0,0]=3 2893 B8R1.18 Cn1nc(c(c1)Br)Br 1P003XZM [0,2,0,0,0,0|1,0,0]=3 2894 B8R1.18 Cn1nc(c(c1)N)N 1P00J2XI [0,2,0,0,0,0|1,0,0]=3 2895 B8R1.18 Cn1nc(c(n1)C)Br 1P006P2K [0,2,0,0,0,0|1,0,0]=3 2896 B8R1.18 Cn1nc(c(n1)Cl)Br 1P02924L [0,2,0,0,0,0|2,0,0]=4 2897 B8R1.18 Cn1nc(c(n1)N)Br 1P0282UQ [0,2,0,0,0,0|2,0,0]=4 2898 B8R1.18 Cn1nc(c(n1)N)O 1P0280TV [0,2,0,0,0,0|2,0,0]=4 2899 B8R1.18 Ic1[nH]c(c(c1)I)I 1P01DTDK [0,2,0,0,0,0|2,0,0]=4 2900 B8R1.18 Ic1[nH]c(c(n1)C)I 1P001M8W [0,2,0,0,0,0|2,0,0]=4 2901 B8R1.18 Ic1cn(c(n1)C)C 1P003BBR [0,2,0,0,0,0|2,0,0]=4 2902 B8R1.18 Ic1nc(n(c1)C)I 1P01EDCW [0,2,0,0,0,0|2,0,0]=4 2903 B8R1.18 Ic1nn(c(c1)C)C 1P019YVL [0,2,0,0,0,0|2,0,0]=4 2904 B8R1.18 Ic1nn(nc1I)C 1P01JWFZ [0,2,0,0,0,0|2,0,0]=4 2905 B8R1.18 Ic1oc(c(n1)I)C 1P028ZVU [0,2,0,0,0,0|2,0,0]=4 2906 B8R1.18 Ic1sc(c(c1)C)C 1P028YU4 [0,2,0,0,0,0|2,0,0]=4 2907 B8R1.18 Ic1sc(c(n1)C)C 1P028FO5 [0,2,0,0,0,0|2,0,0]=4 2908 B8R1.18 Nc1[nH]c(c(n1)C)C 1P0018DI [0,2,0,0,0,0|2,0,0]=4 2909 B8R1.18 Nc1[nH]c(c(n1)C)C 1P00AKKE [0,2,0,0,0,0|2,0,0]=4 2910 B8R1.18 Nc1nc(c(s1)C)Br 1P003ATH [0,2,0,0,0,0|2,0,0]=4 2911 B8R1.18 Nc1nc(c(s1)C)O 1P00A8UL [0,2,0,0,0,0|2,0,0]=4 2912 B8R1.18 Nc1nn(c(c1)C)C 1P0038HW [0,2,0,0,0,0|2,0,0]=4 2913 B8R1.18 Nc1oc(c(n1)C)C 1P00DL9F [0,2,0,0,0,0|2,0,0]=4 2914 B8R1.18 Nc1oc(c(n1)C)C 1P00J2FK [0,2,0,0,0,0|2,0,0]=4 2915 B8R1.18 Nc1sc(c(n1)C)C 1P002LTZ [0,2,0,0,0,0|2,0,0]=4 2916 B8R1.18 Nc1sc(c(n1)C)C 1P003GV7 [0,2,0,0,0,0|2,0,0]=4 2917 B8R1.18 Nc1sc(c(n1)C)C 1P0065AC [0,2,0,0,0,0|2,0,0]=4 2918 B8R1.18 O=C1C=C(C(=O)N1)C 1P009RCV [0,2,0,0,0,0|1,0,0]=3 2919 B8R1.18 O=C1C=C(C(=O)O1)C 1P003530 [0,2,0,0,0,0|2,0,0]=4 2920 B8R1.18 O=C1C=C(C(N1)O)C 1P01EMD7 [0,2,0,0,0,0|1,0,1]=4 2921 B8R1.18 O=C1NN(C)C=C1Br 1P01KH05 [0,2,0,0,0,0|1,0,1]=4 2922 B8R1.18 O=c1[nH]c(c(o1)C)C 1P00J30T [0,2,0,0,0,0|2,0,0]=4 2923 B8R1.18 O=c1[nH]c(c(s1)C)C 1P01DUSE [0,2,0,0,0,0|2,0,0]=4 2924 B8R1.18 O=c1[nH]n(c(c1)C)C 1P00CVUD [0,2,0,0,0,0|2,0,0]=4 2925 B8R1.18 O=c1[nH]n(c(c1)C)C 1P01FMB6 [0,2,0,0,0,0|2,0,0]=4 2926 B8R1.18 OC1OC(=O)C(=C1)C 1P01BXVO [0,2,0,0,0,0|2,0,0]=4 2927 B8R1.18 S=c1[nH]c(c(s1)C)C 1P0037RJ [0,2,0,0,0,0|2,0,0]=4 2928 B8R1.18 Sc1oc(c(n1)C)C 1P00FQ17 [0,2,0,0,0,0|2,0,0]=4 2929 B8R1.50 BrC1=C(C)C(=O)OC1 1P01DJBD [0,2,0,0,0,0|2,0,0]=4 2930 B8R1.50 Brc1[nH]nc(c1Br)Br 1P00252A [0,2,0,0,0,0|1,0,0]=3 2931 B8R1.50 Brc1c(C)csc1C 1P008MHN [0,2,0,0,0,0|2,0,0]=4 2932 B8R1.50 Brc1c(C)noc1C 1P003LEI [0,2,0,0,0,0|2,0,0]=4 2933 B8R1.50 Brc1c(N)cnn1C 1P028T1G [0,2,0,0,0,0|1,0,0]=3 2934 B8R1.50 Brc1n[nH]c(c1Br)C 1P00ETXM [0,2,0,0,0,0|1,0,0]=3 2935 B8R1.50 Brc1n[nH]c(c1Cl)C 1P01KKH2 [0,2,0,0,0,0|1,0,0]=3 2936 B8R1.50 Brc1ncc(n1C)Br 1P00DASJ [0,2,0,0,0,0|2,0,0]=4 2937 B8R1.50 Brc1noc(c1C)C 1P00GSB0 [0,2,0,0,0,0|1,0,0]=3 2938 B8R1.50 Brc1noc(c1N)C 1P028NDA [0,2,0,0,0,0|2,0,0]=4 2939 B8R1.50 Brc1noc(c1N)C 1P028RUF [0,2,0,0,0,0|2,0,0]=4 2940 B8R1.50 CC1=CN=C(Cl)N1C 1P01K3HS [0,2,0,0,0,0|2,0,0]=4 2941 B8R1.50 CN1C(=O)CNC1=O 1P00FFTF [0,2,0,0,0,0|2,0,0]=4 2942 B8R1.50 CN1C(=O)N=NC1=O 1P0011K2 [0,2,0,0,0,0|1,0,1]=4 2943 B8R1.50 Cc1[nH][nH]c(=O)c1Br 1P01ENGZ [0,2,0,0,0,0|1,0,1]=4 2944 B8R1.50 Cc1[nH][nH]c(=O)c1N 1P01C52N [0,2,0,0,0,0|1,0,1]=4 2945 B8R1.50 Cc1[nH]cc(c1C)C 1P00C0Q9 [0,2,0,0,0,0|1,0,0]=3 2946 B8R1.50 Cc1[nH]nc(c1Br)C 1P003LEL [0,2,0,0,0,0|1,0,0]=3 2947 B8R1.50 Cc1[nH]nc(c1C)C 1P00DD7V [0,2,0,0,0,0|0,0,0]=2 2948 B8R1.50 Cc1[nH]nc(c1Cl)C 1P001RM1 [0,2,0,0,0,0|1,0,0]=3 2949 B8R1.50 Cc1[nH]nc(c1Cl)C 1P01FLFQ [0,2,0,0,0,0|1,0,0]=3 2950 B8R1.50 Cc1[nH]nc(c1F)C 1P00EEM5 [0,2,0,0,0,0|1,0,0]=3 2951 B8R1.50 Cc1[nH]nc(c1I)C 1P00299N [0,2,0,0,0,0|1,0,0]=3 2952 B8R1.50 Cc1[nH]nc(c1N)C 1P0037T1 [0,2,0,0,0,0|1,0,0]=3 2953 B8R1.50 Cc1[nH]nc(c1N)C 1P01EIJ0 [0,2,0,0,0,0|1,0,0]=3 2954 B8R1.50 Cc1[nH]nc(c1O)C 1P007LJE [0,2,0,0,0,0|1,0,0]=3 2955 B8R1.50 Cc1[nH]nc(c1S)C 1P00Q4M1 [0,2,0,0,0,0|1,0,0]=3 2956 B8R1.50 Cc1c(Br)c(=N)o[nH]1 1P01AHKF [0,2,0,0,0,0|2,0,0]=4 2957 B8R1.50 Cc1c(Br)cnn1C 1P00E9IZ [0,2,0,0,0,0|1,0,0]=3 2958 B8R1.50 Cc1c(Br)ncn1C 1P00HYYL [0,2,0,0,0,0|2,0,0]=4 2959 B8R1.50 Cc1c(I)cnn1C 1P00FGTG [0,2,0,0,0,0|1,0,0]=3 2960 B8R1.50 Cc1c(N)cnn1C 1P0016YN [0,2,0,0,0,0|1,0,0]=3 2961 B8R1.50 Cc1c(N)cnn1C 1P0039TZ [0,2,0,0,0,0|1,0,0]=3 2962 B8R1.50 Cc1c(N)cnn1C 1P00IN2Y [0,2,0,0,0,0|1,0,0]=3 2963 B8R1.50 Cc1c(O)cnn1C 1P01KMBL [0,2,0,0,0,0|1,0,0]=3 2964 B8R1.50 Cc1cnn(c1Br)C 1P001BAP [0,2,0,0,0,0|0,0,0]=2 2965 B8R1.50 Cc1cnn(c1I)C 1P01BK85 [0,2,0,0,0,0|0,0,0]=2 2966 B8R1.50 Cc1cnn(c1N)C 1P00C9D7 [0,2,0,0,0,0|0,0,0]=2 2967 B8R1.50 Cc1cnn(c1N)C 1P01B35G [0,2,0,0,0,0|0,0,0]=2 2968 B8R1.50 Cc1cnn(c1S)C 1P028F3D [0,2,0,0,0,0|0,0,0]=2 2969 B8R1.50 Cc1csc(c1Br)N 1P028T8X [0,2,0,0,0,0|2,0,0]=4 2970 B8R1.50 Cc1csc(c1N)Cl 1P01B5VI [0,2,0,0,0,0|2,0,0]=4 2971 B8R1.50 Cc1n[nH]c(c1C)I 1P01JSA8 [0,2,0,0,0,0|0,0,0]=2 2972 B8R1.50 Cc1n[nH]c(c1C)O 1P00AOEJ [0,2,0,0,0,0|0,0,0]=2 2973 B8R1.50 Cc1n[nH]c(c1I)N 1P01ELJY [0,2,0,0,0,0|1,0,0]=3 2974 B8R1.50 Cc1n[nH]c(c1N)Cl 1P00HBA4 [0,2,0,0,0,0|1,0,0]=3 2975 B8R1.50 Cc1n[nH]c(c1N)N 1P00J244 [0,2,0,0,0,0|1,0,0]=3 2976 B8R1.50 Cc1n[nH]c(c1N)N 1P00J3MR [0,2,0,0,0,0|1,0,0]=3 2977 B8R1.50 Cc1ncc(n1C)C 1P01KKYJ [0,2,0,0,0,0|2,0,0]=4 2978 B8R1.50 Cc1nnc(n1C)Br 1P01BH8H [0,2,0,0,0,0|1,0,1]=4 2979 B8R1.50 Cc1nnc(n1C)Cl 1P01I693 [0,2,0,0,0,0|1,0,1]=4 2980 B8R1.50 Cc1nnc(n1C)N 1P01A71K [0,2,0,0,0,0|1,0,1]=4 2981 B8R1.50 Cc1nnn(c1Br)C 1P0096FL [0,2,0,0,0,0|1,0,0]=3 2982 B8R1.50 Cc1nnn(c1C)N 1P00CVM1 [0,2,0,0,0,0|1,0,0]=3 2983 B8R1.50 Cc1nnn(c1I)C 1P009Z7H [0,2,0,0,0,0|1,0,0]=3 2984 B8R1.50 Cc1noc(c1Br)N 1P003LF5 [0,2,0,0,0,0|2,0,0]=4 2985 B8R1.50 Cc1noc(c1C)Br 1P024SE8 [0,2,0,0,0,0|1,0,0]=3 2986 B8R1.50 Cc1noc(c1C)Cl 1P019U9L [0,2,0,0,0,0|1,0,0]=3 2987 B8R1.50 Cc1noc(c1C)N 1P002CLO [0,2,0,0,0,0|1,0,0]=3 2988 B8R1.50 Cc1noc(c1Cl)N 1P001XI9 [0,2,0,0,0,0|2,0,0]=4 2989 B8R1.50 Cc1noc(c1I)N 1P019MUO [0,2,0,0,0,0|2,0,0]=4 2990 B8R1.50 Cc1nsc(c1Br)Br 1P01KKME [0,2,0,0,0,0|2,0,0]=4 2991 B8R1.50 Cc1nsc(c1Br)N 1P004N7Y [0,2,0,0,0,0|2,0,0]=4 2992 B8R1.50 Cc1nsc(c1Cl)N 1P00IKBV [0,2,0,0,0,0|2,0,0]=4 2993 B8R1.50 Cc1nsc(c1I)N 1P00GMDW [0,2,0,0,0,0|2,0,0]=4 2994 B8R1.50 Cc1nsc(c1N)Br 1P028AIL [0,2,0,0,0,0|2,0,0]=4 2995 B8R1.50 Cc1o[nH]c(=O)c1Br 1P000335 [0,2,0,0,0,0|2,0,0]=4 2996 B8R1.50 Clc1c(C)noc1C 1P007EOM [0,2,0,0,0,0|2,0,0]=4 2997 B8R1.50 Clc1c(N)cnn1C 1P01B75F [0,2,0,0,0,0|1,0,0]=3 2998 B8R1.50 Clc1ncc(n1C)Cl 1P027E03 [0,2,0,0,0,0|2,0,0]=4 2999 B8R1.50 Cn1c(Br)ncc1Cl 1P028I0Z [0,2,0,0,0,0|2,0,0]=4 3000 B8R1.50 Cn1c(C)c[nH]c1=S 1P01E974 [0,2,0,0,0,0|2,0,0]=4 3001 B8R1.50 Cn1c(C)n[nH]c1=S 1P0077SQ [0,2,0,0,0,0|1,0,0]=3 3002 B8R1.50 Cn1c(C)ncc1Br 1P006XNY [0,2,0,0,0,0|2,0,0]=4 3003 B8R1.50 Cn1c(C)ncc1Cl 1P028CPZ [0,2,0,0,0,0|2,0,0]=4 3004 B8R1.50 Cn1c(C)ncc1N 1P028LQZ [0,2,0,0,0,0|2,0,0]=4 3005 B8R1.50 Cn1c(Cl)ncc1Br 1P028EO8 [0,2,0,0,0,0|2,0,0]=4 3006 B8R1.50 Cn1c(Cl)ncc1I 1P01BK8M [0,2,0,0,0,0|2,0,0]=4 3007 B8R1.50 Cn1c(I)ncc1Cl 1P028Z5Q [0,2,0,0,0,0|2,0,0]=4 3008 B8R1.50 Cn1c(N)n[nH]c1=O 1P0292NT [0,2,0,0,0,0|1,0,0]=3 3009 B8R1.50 Cn1c(N)ncc1Br 1P028G2P [0,2,0,0,0,0|2,0,0]=4 3010 B8R1.50 Cn1cc[n+](c1C)C 1P00EBN6 [0,2,0,0,0,0|2,0,0]=4 3011 B8R1.50 Cn1cc[n+](c1Cl)C 1P0032Q7 [0,2,0,0,0,0|2,0,0]=4 3012 B8R1.50 Cn1cnc(c1Br)Br 1P0001Z6 [0,2,0,0,0,0|2,0,0]=4 3013 B8R1.50 Cn1cnc(c1Br)C 1P00IEDX [0,2,0,0,0,0|2,0,0]=4 3014 B8R1.50 Cn1cnc(c1C)C 1P0028CS [0,2,0,0,0,0|2,0,0]=4 3015 B8R1.50 Cn1cnc(c1Cl)Br 1P00I28C [0,2,0,0,0,0|2,0,0]=4 3016 B8R1.50 Cn1cnc(c1Cl)Cl 1P000IT6 [0,2,0,0,0,0|2,0,0]=4 3017 B8R1.50 Cn1cnc(c1I)C 1P01APBZ [0,2,0,0,0,0|2,0,0]=4 3018 B8R1.50 Cn1cnc(c1I)I 1P003KYR [0,2,0,0,0,0|2,0,0]=4 3019 B8R1.50 Cn1cnc(c1N)C 1P0034N6 [0,2,0,0,0,0|2,0,0]=4 3020 B8R1.50 Cn1ncc(c1Br)Cl 1P01BK75 [0,2,0,0,0,0|1,0,0]=3 3021 B8R1.50 Cn1ncc(c1Br)F 1P01B8MF [0,2,0,0,0,0|1,0,0]=3 3022 B8R1.50 Cn1ncc(c1Br)I 1P027XNP [0,2,0,0,0,0|1,0,0]=3 3023 B8R1.50 Cn1ncc(c1F)Br 1P01APFF [0,2,0,0,0,0|1,0,0]=3 3024 B8R1.50 Cn1ncc(c1I)Br 1P01ELSD [0,2,0,0,0,0|1,0,0]=3 3025 B8R1.50 Cn1ncc(c1I)Cl 1P01BK86 [0,2,0,0,0,0|1,0,0]=3 3026 B8R1.50 Cn1ncc(c1N)Br 1P003LBP [0,2,0,0,0,0|1,0,0]=3 3027 B8R1.50 Cn1ncc(c1N)Br 1P01C2CT [0,2,0,0,0,0|1,0,0]=3 3028 B8R1.50 Cn1ncc(c1N)Br 1P01C3SQ [0,2,0,0,0,0|1,0,0]=3 3029 B8R1.50 Cn1ncc(c1N)Cl 1P00HB5B [0,2,0,0,0,0|1,0,0]=3 3030 B8R1.50 Cn1ncc(c1N)Cl 1P02844T [0,2,0,0,0,0|1,0,0]=3 3031 B8R1.50 Cn1ncc(c1N)F 1P01C44P [0,2,0,0,0,0|1,0,0]=3 3032 B8R1.50 Cn1ncc(c1N)F 1P020MEJ [0,2,0,0,0,0|1,0,0]=3 3033 B8R1.50 Cn1ncc(c1N)I 1P00ANOO [0,2,0,0,0,0|1,0,0]=3 3034 B8R1.50 Cn1ncc(c1O)Br 1P0205OU [0,2,0,0,0,0|1,0,0]=3 3035 B8R1.50 Cn1nnc(c1Br)Br 1P00I5BX [0,2,0,0,0,0|2,0,0]=4 3036 B8R1.50 Cn1nnc(c1C)Br 1P004C4C [0,2,0,0,0,0|1,0,1]=4 3037 B8R1.50 Cn1nnc(c1C)I 1P0288RB [0,2,0,0,0,0|1,0,1]=4 3038 B8R1.50 Cn1nnc(c1C)N 1P01ACCD [0,2,0,0,0,0|1,0,1]=4 3039 B8R1.50 Cn1nnc(c1C)N 1P01C3RB [0,2,0,0,0,0|1,0,1]=4 3040 B8R1.50 Cn1nnc(c1C)N 1P01C3UM [0,2,0,0,0,0|1,0,1]=4 3041 B8R1.50 Cn1nnc(c1Cl)Br 1P028Q08 [0,2,0,0,0,0|2,0,0]=4 3042 B8R1.50 Cn1nnc(c1Cl)I 1P027YRM [0,2,0,0,0,0|2,0,0]=4 3043 B8R1.50 Cn1nnc(c1I)Br 1P0292D6 [0,2,0,0,0,0|2,0,0]=4 3044 B8R1.50 Cn1nnc(c1I)I 1P01JUY0 [0,2,0,0,0,0|2,0,0]=4 3045 B8R1.50 Cn1nnc(c1N)Br 1P0282JG [0,2,0,0,0,0|2,0,0]=4 3046 B8R1.50 Ic1[nH]cc(c1I)I 1P01EIZM [0,2,0,0,0,0|2,0,0]=4 3047 B8R1.50 Ic1[nH]nc(c1C)I 1P027L53 [0,2,0,0,0,0|0,0,0]=2 3048 B8R1.50 Ic1c(C)noc1C 1P003M10 [0,2,0,0,0,0|2,0,0]=4 3049 B8R1.50 Ic1c(C)nsc1C 1P028DY1 [0,2,0,0,0,0|2,0,0]=4 3050 B8R1.50 Ic1c(N)cnn1C 1P01ELGM [0,2,0,0,0,0|1,0,0]=3 3051 B8R1.50 Ic1n[nH]c(c1I)C 1P00FI60 [0,2,0,0,0,0|1,0,0]=3 3052 B8R1.50 Ic1ncc(n1C)I 1P008G7N [0,2,0,0,0,0|2,0,0]=4 3053 B8R1.50 Nc1c(C)csc1C 1P01DU3J [0,2,0,0,0,0|2,0,0]=4 3054 B8R1.50 Nc1c(C)noc1C 1P003J5M [0,2,0,0,0,0|2,0,0]=4 3055 B8R1.50 Nc1c(C)nsc1C 1P01BCXK [0,2,0,0,0,0|2,0,0]=4 3056 B8R1.50 Nc1c(N)cnn1C 1P002DAU [0,2,0,0,0,0|1,0,0]=3 3057 B8R1.50 Nc1c(N)cnn1C 1P01E93G [0,2,0,0,0,0|1,0,0]=3 3058 B8R1.50 Nc1cnn(c1F)C 1P028BTN [0,2,0,0,0,0|1,0,0]=3 3059 B8R1.50 Nc1n[nH]c(c1Br)C 1P001XZE [0,2,0,0,0,0|1,0,0]=3 3060 B8R1.50 Nc1n[nH]c(c1Br)C 1P002669 [0,2,0,0,0,0|1,0,0]=3 3061 B8R1.50 Nc1n[nH]c(c1C)C 1P003IZM [0,2,0,0,0,0|0,0,0]=2 3062 B8R1.50 Nc1n[nH]c(c1Cl)C 1P000UHU [0,2,0,0,0,0|1,0,0]=3 3063 B8R1.50 Nc1n[nH]c(c1Cl)C 1P007V9C [0,2,0,0,0,0|1,0,0]=3 3064 B8R1.50 Nc1nnc(n1C)S 1P00JI38 [0,2,0,0,0,0|1,0,1]=4 3065 B8R1.50 Nc1noc(c1Br)C 1P003LFO [0,2,0,0,0,0|2,0,0]=4 3066 B8R1.50 Nc1noc(c1C)C 1P003JBT [0,2,0,0,0,0|1,0,0]=3 3067 B8R1.50 Nc1noc(c1Cl)C 1P01E043 [0,2,0,0,0,0|2,0,0]=4 3068 B8R1.50 Nn1cnn(c1=S)C 1P028F48 [0,2,0,0,0,0|2,0,0]=4 3069 B8R1.50 O=C1CN=C(N1C)N 1P01B68P [0,2,0,0,0,0|2,0,0]=4 3070 B8R1.50 O=C1CNC(=S)N1C 1P003K65 [0,2,0,0,0,0|2,0,0]=4 3071 B8R1.50 O=C1NN=C(C1Br)C 1P006WOY [0,2,0,0,0,0|1,0,1]=4 3072 B8R1.50 O=C1NN=C(C1C)C 1P00FE1X [0,2,0,0,0,0|0,0,1]=3 3073 B8R1.50 O=c1[nH][nH]c(=O)n1C 1P001U8V [0,2,0,0,0,0|1,0,1]=4 3074 B8R1.50 OC1=C(C)C(=O)OC1 1P00DKLN [0,2,0,0,0,0|2,0,0]=4 3075 B8R1.50 Oc1c(C)csc1C 1P028JZZ [0,2,0,0,0,0|2,0,0]=4 3076 B8R1.50 Oc1c(C)noc1C 1P00HSKS [0,2,0,0,0,0|2,0,0]=4 3077 B8R1.50 Oc1nnc(n1C)S 1P00BDOV [0,2,0,0,0,0|1,0,1]=4 3078 B8R1.50 Oc1noc(c1C)C 1P0066EP [0,2,0,0,0,0|1,0,0]=3 3079 B8R1.50 S=c1[nH][nH]c(=S)n1C 1P0071KK [0,2,0,0,0,0|1,0,1]=4 3080 B8R1.50 S=c1n(C)ccn1C 1P00FUII [0,2,0,0,0,0|2,0,0]=4 3081 B8R1.50 Sc1c(C)noc1C 1P028X7W [0,2,0,0,0,0|2,0,0]=4 3082 B6R1.8 NCC1CC1=C 1P027Z3Q [0,0,1,1,0,0|1,0,1]=4 3083 B6R1.1 C1=CCC=CC1 1P003E40 [0,0,1,1,0,0|2,0,0]=4 3084 B6R1.1 N1CCC=CC1 1P003DR7 [0,0,1,1,0,0|1,0,1]=4 3085 B6R1.1 N1NCC=CC1 1P01B7VX [0,0,1,1,0,0|2,0,0]=4 3086 B6R1.1 O1NCC=CC1 1P00J30Z [0,0,1,1,0,0|2,0,0]=4 3087 B6R1.1 c1cccnc1 1P001LMB [0,0,1,1,0,0|1,0,1]=4 3088 B6R1.1 c1cccnc1 1P001LVP [0,0,1,1,0,0|1,0,1]=4 3089 B6R1.1 c1cccnc1 1P001P9C [0,0,1,1,0,0|1,0,1]=4 3090 B6R1.1 c1cccnc1 1P002H86 [0,0,1,1,0,0|1,0,1]=4 3091 B6R1.1 c1cccnc1 1P002T3E [0,0,1,1,0,0|1,0,1]=4 3092 B6R1.1 c1cccnc1 1P002TJT [0,0,1,1,0,0|1,0,1]=4 3093 B6R1.1 c1cccnc1 1P00360F [0,0,1,1,0,0|1,0,1]=4 3094 B6R1.1 c1cccnc1 1P00360J [0,0,1,1,0,0|1,0,1]=4 3095 B6R1.1 c1cccnc1 1P003UJB [0,0,1,1,0,0|1,0,1]=4 3096 B6R1.1 c1cccnc1 1P00ACBP [0,0,1,1,0,0|1,0,1]=4 3097 B6R1.1 c1cccnc1 1P00ADJU [0,0,1,1,0,0|1,0,1]=4 3098 B6R1.1 c1cccnc1 1P00DE7T [0,0,1,1,0,0|1,0,1]=4 3099 B6R1.1 c1cccnc1 1P00E9FY [0,0,1,1,0,0|1,0,1]=4 3100 B6R1.1 c1cccnc1 1P01QOUU [0,0,1,1,0,0|1,0,1]=4 3101 B6R1.1 c1ccncn1 1P003UJJ [0,0,1,1,0,0|2,0,0]=4 3102 B6R1.1 c1ccnnc1 1P00360E [0,0,1,1,0,0|0,0,2]=4 3103 B6R1.1 c1ccnnc1 1P00E9DW [0,0,1,1,0,0|0,0,2]=4 3104 B6R1.1 n1ccncc1 1P002VMV [0,0,1,1,0,0|2,0,0]=4 3105 B8R2.25 c1ccc2c(c1)C2 1P00E0DR [0,0,0,1,0,1|2,0,0]=4 3106 B4R1.1 C1CC=C1 1P0056VU [1,0,0,0,1,0|1,0,1]=4