0 B8R1.2 C#Cc1ccccc1 TS39865 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 C#Cc1ccccn1 TS55319 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 C#Cc1cccnc1 TS16364 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 C#Cc1cccnn1 TS91729 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 C#Cc1cnccn1 TS87522 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.2 C#Cc1cncnc1 TS86071 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.2 C=Cc1ccccc1 TS04045 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.2 C=Cc1ccccn1 TS31704 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.2 C=Cc1cccnc1 TS31705 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.2 C=Cc1cnccn1 TS04089 [0,0,0,0,0,0|1,0,1]=2 10 B8R1.2 CCC1=CCC=CC1 TS04142 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 CC[n+]1ccccc1 TS40125 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.2 CC[n+]1ccccc1 TS50650 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.2 CCc1ccccc1 TS04102 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 CCc1ccccn1 TS55316 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.2 CCc1cccnc1 TS04113 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.2 CCc1ccncc1 TS04110 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.2 CCc1cnccn1 TS31774 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.2 CNc1ccccc1 TS31758 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.2 CNc1ccccc1 TS40129 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.2 CNc1ccccn1 TS22814 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.2 CNc1cccnc1 TS09432 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.2 CNc1ccncc1 TS16891 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.2 CNc1cnccn1 TS31803 [0,0,0,0,0,0|1,0,0]=1 24 B8R1.2 CNc1ncccn1 TS31802 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.2 COC1=CCCCC1 TS04308 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.2 COC1=CCOCC1 TS04435 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.2 COC1=NCCCC1 TS04387 [0,0,0,0,0,0|1,0,3]=4 28 B8R1.2 COC1CCC=CO1 TS04445 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.2 COc1ccccc1 TS39801 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.2 COc1cccnn1 TS02827 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.2 COc1ccncc1 TS03163 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.2 COc1ccncn1 TS31815 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.2 COc1cnccn1 TS55429 [0,0,0,0,0,0|0,0,0]=0 34 B8R1.2 COc1ncccn1 TS31823 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.2 CPc1ccccc1 TS32592 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.2 CSc1ccccc1 TS36022 [0,0,0,0,0,0|2,1,0]=3 37 B8R1.2 CSc1ccccn1 TS05101 [0,0,0,0,0,0|1,1,0]=2 38 B8R1.2 CSc1cccnc1 TS05108 [0,0,0,0,0,0|1,1,0]=2 39 B8R1.2 CSc1cnccn1 TS55418 [0,0,0,0,0,0|0,1,0]=1 40 B8R1.2 CSc1ncccn1 TS36144 [0,0,0,0,0,0|2,1,0]=3 41 B8R1.2 CSc1nccnn1 TS70681 [0,0,0,0,0,0|1,1,0]=2 42 B8R1.2 C[NH2+]c1ccccc1 TS49917 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.2 C[SiH2]c1ccccc1 TS04929 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [0,0,0,0,0,0|3,0,1]=4 45 B8R1.2 c1c(cncn1)C#N TS03285 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.2 c1c(cncn1)C=O TS01668 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.2 c1c(cncn1)CCl TS91001 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.2 c1c(cncn1)CCl TS91653 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.2 c1c(cncn1)CN TS55503 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.2 c1c(cncn1)CO TS55504 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.2 c1c(cncn1)NN TS90574 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.2 c1cc(cnc1)C#N TS02037 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.2 c1cc(cnc1)CBr TS09437 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.2 c1cc(cnc1)CCl TS00113 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.2 c1cc(cnc1)CCl TS02031 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.2 c1cc(cnc1)CI TS49544 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.2 c1cc(cnc1)CI TS64566 [0,0,0,0,0,0|3,0,0]=3 58 B8R1.2 c1cc(cnc1)CN TS02883 [0,0,0,0,0,0|3,0,0]=3 59 B8R1.2 c1cc(cnc1)CO TS92960 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.2 c1cc(cnc1)CO TS93835 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.2 c1cc(cnc1)NN TS87727 [0,0,0,0,0,0|3,0,0]=3 62 B8R1.2 c1cc(nnc1)C#N TS87766 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.2 c1cc(nnc1)C=O TS59366 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.2 c1cc(nnc1)CCl TS90180 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.2 c1cc(nnc1)CN TS90318 [0,0,0,0,0,0|4,0,0]=4 66 B8R1.2 c1cc(nnc1)CO TS59365 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.2 c1ccc(cc1)C#N TS01882 [0,0,0,0,0,0|4,0,0]=4 68 B8R1.2 c1ccc(cc1)C#N TS80489 [0,0,0,0,0,0|4,0,0]=4 69 B8R1.2 c1ccc(cc1)C=O TS43757 [0,0,0,0,0,0|4,0,0]=4 70 B8R1.2 c1ccc(cc1)CCl TS36191 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.2 c1ccc(cc1)CF TS31826 [0,0,0,0,0,0|4,0,0]=4 72 B8R1.2 c1ccc(cc1)CI TS09176 [0,0,0,0,0,0|4,0,0]=4 73 B8R1.2 c1ccc(cc1)CN TS01379 [0,0,0,0,0,0|4,0,0]=4 74 B8R1.2 c1ccc(cc1)CN TS40124 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.2 c1ccc(cc1)CO TS31769 [0,0,0,0,0,0|4,0,0]=4 76 B8R1.2 c1ccc(cc1)CS TS36023 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.2 c1ccc(cc1)I=O TS49692 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.2 c1ccc(cc1)N=O TS31751 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.2 c1ccc(cc1)NN TS07047 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.2 c1ccc(cc1)NN TS31771 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.2 c1ccc(cc1)NN TS61145 [0,0,0,0,0,0|4,0,0]=4 82 B8R1.2 c1ccc(cc1)NN TS76102 [0,0,0,0,0,0|4,0,0]=4 83 B8R1.2 c1ccc(cc1)NO TS31793 [0,0,0,0,0,0|4,0,0]=4 84 B8R1.2 c1ccc(cc1)NO TS37696 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.2 c1ccc(cc1)ON TS07146 [0,0,0,0,0,0|3,0,0]=3 86 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [0,0,0,0,0,0|4,0,0]=4 87 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [0,0,0,0,0,0|4,0,0]=4 88 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [0,0,0,0,0,0|4,0,0]=4 89 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [0,0,0,0,0,0|4,0,0]=4 90 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [0,0,0,0,0,0|4,0,0]=4 91 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [0,0,0,0,0,0|4,0,0]=4 92 B8R1.2 c1ccnc(c1)C#N TS59347 [0,0,0,0,0,0|3,0,0]=3 93 B8R1.2 c1ccnc(c1)C=O TS02469 [0,0,0,0,0,0|3,0,0]=3 94 B8R1.2 c1ccnc(c1)CBr TS47083 [0,0,0,0,0,0|3,0,0]=3 95 B8R1.2 c1ccnc(c1)CCl TS47089 [0,0,0,0,0,0|3,0,0]=3 96 B8R1.2 c1ccnc(c1)CCl TS47090 [0,0,0,0,0,0|3,0,0]=3 97 B8R1.2 c1ccnc(c1)CN TS00811 [0,0,0,0,0,0|3,0,0]=3 98 B8R1.2 c1ccnc(c1)CO TS07144 [0,0,0,0,0,0|3,0,0]=3 99 B8R1.2 c1ccnc(c1)CO TS31798 [0,0,0,0,0,0|3,0,0]=3 100 B8R1.2 c1ccnc(c1)CS TS05100 [0,0,0,0,0,0|3,0,0]=3 101 B8R1.2 c1ccnc(c1)NN TS14875 [0,0,0,0,0,0|3,0,0]=3 102 B8R1.2 c1ccnc(c1)NN TS55380 [0,0,0,0,0,0|3,0,0]=3 103 B8R1.2 c1cnc(cn1)C#N TS55308 [0,0,0,0,0,0|2,0,0]=2 104 B8R1.2 c1cnc(cn1)C=O TS31759 [0,0,0,0,0,0|2,0,0]=2 105 B8R1.2 c1cnc(cn1)CCl TS88127 [0,0,0,0,0,0|2,0,0]=2 106 B8R1.2 c1cnc(cn1)CN TS01661 [0,0,0,0,0,0|2,0,0]=2 107 B8R1.2 c1cnc(cn1)CO TS88438 [0,0,0,0,0,0|2,0,0]=2 108 B8R1.2 c1cnc(cn1)CS TS36139 [0,0,0,0,0,0|2,0,0]=2 109 B8R1.2 c1cnc(cn1)NN TS55379 [0,0,0,0,0,0|2,0,0]=2 110 B8R1.2 c1cnc(nc1)C#N TS00975 [0,0,0,0,0,0|4,0,0]=4 111 B8R1.2 c1cnc(nc1)C=O TS02479 [0,0,0,0,0,0|4,0,0]=4 112 B8R1.2 c1cnc(nc1)CCl TS47091 [0,0,0,0,0,0|4,0,0]=4 113 B8R1.2 c1cnc(nc1)CCl TS88108 [0,0,0,0,0,0|4,0,0]=4 114 B8R1.2 c1cnc(nc1)CN TS02480 [0,0,0,0,0,0|4,0,0]=4 115 B8R1.2 c1cnc(nc1)CO TS00517 [0,0,0,0,0,0|4,0,0]=4 116 B8R1.2 c1cnc(nc1)NN TS85548 [0,0,0,0,0,0|4,0,0]=4 117 B8R1.2 c1cncnc1C=O TS01666 [0,0,0,0,0,0|4,0,0]=4 118 B8R1.2 c1cncnc1CN TS16892 [0,0,0,0,0,0|4,0,0]=4 119 B8R1.2 c1cncnc1CN TS85609 [0,0,0,0,0,0|4,0,0]=4 120 B8R1.2 c1cncnc1CO TS33139 [0,0,0,0,0,0|4,0,0]=4 121 B8R1.2 c1cnncc1C#N TS87033 [0,0,0,0,0,0|4,0,0]=4 122 B8R1.2 c1cnncc1C=O TS87334 [0,0,0,0,0,0|4,0,0]=4 123 B8R1.2 c1cnncc1CN TS90837 [0,0,0,0,0,0|4,0,0]=4 124 B8R1.2 c1cnncc1CO TS89532 [0,0,0,0,0,0|4,0,0]=4 125 B7R1.3 CC1CC=CC=C1 TS03676 [1,0,0,0,0,0|2,0,1]=4 126 B7R1.3 C[n+]1ccccc1 TS05508 [1,0,0,0,0,0|3,0,0]=4 127 B7R1.3 C[n+]1ccccc1 TS45717 [1,0,0,0,0,0|3,0,0]=4 128 B7R1.3 Cc1ccccc1 TS71861 [1,0,0,0,0,0|2,0,0]=3 129 B7R1.3 Cc1ccccn1 TS71881 [1,0,0,0,0,0|1,0,0]=2 130 B7R1.3 Cc1ccccn1 TS93768 [1,0,0,0,0,0|1,0,0]=2 131 B7R1.3 Cc1cccnc1 TS39719 [1,0,0,0,0,0|1,0,0]=2 132 B7R1.3 Cc1cccnn1 TS70675 [1,0,0,0,0,0|2,0,0]=3 133 B7R1.3 Cc1ccncc1 TS02242 [1,0,0,0,0,0|3,0,0]=4 134 B7R1.3 Cc1ccncn1 TS71236 [1,0,0,0,0,0|2,0,0]=3 135 B7R1.3 Cc1ccnnc1 TS03181 [1,0,0,0,0,0|2,0,0]=3 136 B7R1.3 Cc1cnccn1 TS02445 [1,0,0,0,0,0|0,0,0]=1 137 B7R1.3 Cc1cncnc1 TS01164 [1,0,0,0,0,0|2,0,0]=3 138 B7R1.3 Cc1ncccn1 TS59978 [1,0,0,0,0,0|2,0,0]=3 139 B7R1.3 [Li]c1ccccc1 TS03475 [1,0,0,0,0,0|3,0,0]=4 140 B7R1.3 c1c(cncn1)Br TS09816 [1,0,0,0,0,0|3,0,0]=4 141 B7R1.3 c1c(cncn1)Cl TS71524 [1,0,0,0,0,0|3,0,0]=4 142 B7R1.3 c1c(cncn1)F TS71551 [1,0,0,0,0,0|3,0,0]=4 143 B7R1.3 c1c(cncn1)N TS71385 [1,0,0,0,0,0|3,0,0]=4 144 B7R1.3 c1c(cncn1)O TS03344 [1,0,0,0,0,0|2,0,0]=3 145 B7R1.3 c1cc(cnc1)Br TS09497 [1,0,0,0,0,0|2,0,0]=3 146 B7R1.3 c1cc(cnc1)Cl TS66010 [1,0,0,0,0,0|2,0,0]=3 147 B7R1.3 c1cc(cnc1)F TS02768 [1,0,0,0,0,0|2,0,0]=3 148 B7R1.3 c1cc(cnc1)I TS70634 [1,0,0,0,0,0|2,0,0]=3 149 B7R1.3 c1cc(cnc1)N TS02672 [1,0,0,0,0,0|2,0,0]=3 150 B7R1.3 c1cc(cnc1)O TS32269 [1,0,0,0,0,0|1,0,0]=2 151 B7R1.3 c1cc(nnc1)Cl TS66009 [1,0,0,0,0,0|3,0,0]=4 152 B7R1.3 c1cc(nnc1)Cl TS91704 [1,0,0,0,0,0|3,0,0]=4 153 B7R1.3 c1cc(nnc1)N TS02670 [1,0,0,0,0,0|3,0,0]=4 154 B7R1.3 c1cc(nnc1)N TS02671 [1,0,0,0,0,0|3,0,0]=4 155 B7R1.3 c1cc(nnc1)O TS91073 [1,0,0,0,0,0|2,0,0]=3 156 B7R1.3 c1ccc(cc1)Br TS33230 [1,0,0,0,0,0|3,0,0]=4 157 B7R1.3 c1ccc(cc1)Cl TS39829 [1,0,0,0,0,0|3,0,0]=4 158 B7R1.3 c1ccc(cc1)F TS03718 [1,0,0,0,0,0|3,0,0]=4 159 B7R1.3 c1ccc(cc1)I TS01502 [1,0,0,0,0,0|3,0,0]=4 160 B7R1.3 c1ccc(cc1)I TS09193 [1,0,0,0,0,0|3,0,0]=4 161 B7R1.3 c1ccc(cc1)N TS05506 [1,0,0,0,0,0|3,0,0]=4 162 B7R1.3 c1ccc(cc1)N TS17238 [1,0,0,0,0,0|3,0,0]=4 163 B7R1.3 c1ccc(cc1)N TS31115 [1,0,0,0,0,0|3,0,0]=4 164 B7R1.3 c1ccc(cc1)N TS45718 [1,0,0,0,0,0|3,0,0]=4 165 B7R1.3 c1ccc(cc1)N TS50550 [1,0,0,0,0,0|3,0,0]=4 166 B7R1.3 c1ccc(cc1)N TS71877 [1,0,0,0,0,0|3,0,0]=4 167 B7R1.3 c1ccc(cc1)O TS03667 [1,0,0,0,0,0|2,0,0]=3 168 B7R1.3 c1ccc(cc1)P TS04186 [1,0,0,0,0,0|3,0,0]=4 169 B7R1.3 c1ccc(cc1)S TS04213 [1,0,0,0,0,0|2,1,0]=4 170 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [1,0,0,0,0,0|3,0,0]=4 171 B7R1.3 c1ccc(cc1)[O-] TS31486 [1,0,0,0,0,0|2,0,1]=4 172 B7R1.3 c1ccc(cc1)[O-] TS45086 [1,0,0,0,0,0|2,0,1]=4 173 B7R1.3 c1ccc(cc1)[S-] TS13286 [1,0,0,0,0,0|2,1,0]=4 174 B7R1.3 c1ccc(cc1)[S-] TS36665 [1,0,0,0,0,0|2,1,0]=4 175 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [1,0,0,0,0,0|2,1,0]=4 176 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [1,0,0,0,0,0|3,0,0]=4 177 B7R1.3 c1ccnc(c1)Cl TS02148 [1,0,0,0,0,0|2,0,0]=3 178 B7R1.3 c1ccnc(c1)F TS60290 [1,0,0,0,0,0|2,0,0]=3 179 B7R1.3 c1ccnc(c1)I TS01085 [1,0,0,0,0,0|2,0,0]=3 180 B7R1.3 c1ccnc(c1)N TS03671 [1,0,0,0,0,0|2,0,0]=3 181 B7R1.3 c1ccnc(c1)O TS03693 [1,0,0,0,0,0|1,0,0]=2 182 B7R1.3 c1ccnc(c1)S TS31885 [1,0,0,0,0,0|1,1,0]=3 183 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [1,0,0,0,0,0|2,0,0]=3 184 B7R1.3 c1ccoc(=O)c1 TS03711 [1,0,0,0,0,0|2,0,1]=4 185 B7R1.3 c1cnc(cn1)Br TS00861 [1,0,0,0,0,0|1,0,0]=2 186 B7R1.3 c1cnc(cn1)Cl TS00954 [1,0,0,0,0,0|1,0,0]=2 187 B7R1.3 c1cnc(cn1)F TS01036 [1,0,0,0,0,0|1,0,0]=2 188 B7R1.3 c1cnc(cn1)N TS00818 [1,0,0,0,0,0|1,0,0]=2 189 B7R1.3 c1cnc(cn1)O TS55403 [1,0,0,0,0,0|0,0,0]=1 190 B7R1.3 c1cnc(cn1)S TS04306 [1,0,0,0,0,0|0,1,0]=2 191 B7R1.3 c1cnc(nc1)Br TS00866 [1,0,0,0,0,0|3,0,0]=4 192 B7R1.3 c1cnc(nc1)Cl TS00959 [1,0,0,0,0,0|3,0,0]=4 193 B7R1.3 c1cnc(nc1)Cl TS00963 [1,0,0,0,0,0|3,0,0]=4 194 B7R1.3 c1cnc(nc1)I TS38910 [1,0,0,0,0,0|3,0,0]=4 195 B7R1.3 c1cnc(nc1)N TS00821 [1,0,0,0,0,0|3,0,0]=4 196 B7R1.3 c1cnc(nc1)O TS13789 [1,0,0,0,0,0|2,0,0]=3 197 B7R1.3 c1cnc(nc1)O TS55405 [1,0,0,0,0,0|2,0,0]=3 198 B7R1.3 c1cnc(nc1)O TS55406 [1,0,0,0,0,0|2,0,0]=3 199 B7R1.3 c1cnc(nc1)S TS55424 [1,0,0,0,0,0|2,1,0]=4 200 B7R1.3 c1cnccc1O TS87252 [1,0,0,0,0,0|3,0,0]=4 201 B7R1.3 c1cncnc1Br TS09614 [1,0,0,0,0,0|3,0,0]=4 202 B7R1.3 c1cncnc1Cl TS71077 [1,0,0,0,0,0|3,0,0]=4 203 B7R1.3 c1cncnc1Cl TS86366 [1,0,0,0,0,0|3,0,0]=4 204 B7R1.3 c1cncnc1N TS70922 [1,0,0,0,0,0|3,0,0]=4 205 B7R1.3 c1cncnc1O TS03137 [1,0,0,0,0,0|2,0,0]=3 206 B7R1.3 c1cncnc1O TS15021 [1,0,0,0,0,0|2,0,0]=3 207 B7R1.3 c1cncnc1O TS16881 [1,0,0,0,0,0|2,0,0]=3 208 B7R1.3 c1cnnc(n1)N TS03716 [1,0,0,0,0,0|2,0,0]=3 209 B7R1.3 c1cnncc1Br TS59608 [1,0,0,0,0,0|3,0,0]=4 210 B7R1.3 c1cnncc1N TS70920 [1,0,0,0,0,0|3,0,0]=4 211 B7R1.3 c1cnncc1N TS92859 [1,0,0,0,0,0|3,0,0]=4 212 B7R1.3 c1cnncc1O TS03136 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.1 C#Cc1ccc(cn1)Br TS14869 [0,1,0,0,0,0|2,0,1]=4 214 B9R1.1 C#Cc1ccc(cn1)F TS04857 [0,1,0,0,0,0|2,0,1]=4 215 B9R1.1 CCc1ccc(cc1)Br TS01944 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.1 CCc1ccc(cc1)Cl TS37449 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.1 CCc1ccc(cc1)F TS05030 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.1 CCc1ccc(cc1)I TS25158 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.1 CCc1ccc(cc1)N TS04870 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.1 CCc1ccc(cc1)O TS04905 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.1 CCc1ccc(cc1)S TS06298 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.1 CCc1ccc(nc1)C TS32477 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.1 CCc1ccc(nc1)O TS04959 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.1 CCc1cnc(nc1)Cl TS55238 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.1 CCc1cnc(nc1)N TS03294 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.1 CCc1ncc(cn1)N TS86011 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.1 CNc1ccc(cc1)Br TS48830 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.1 CNc1ccc(cc1)Cl TS37534 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.1 CNc1ccc(cc1)F TS36055 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.1 CNc1ccc(cc1)I TS32640 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.1 CNc1ccc(cc1)N TS04921 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.1 CNc1ccc(cc1)N TS17998 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.1 CNc1ccc(cc1)O TS04963 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.1 CNc1ccc(cc1)O TS78698 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.1 CNc1ccc(nc1)Br TS49023 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.1 CNc1ncc(cn1)Br TS08700 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.1 COc1ccc(cc1)Cl TS37682 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.1 COc1ccc(cc1)F TS32969 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.1 COc1ccc(cc1)I TS59516 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.1 COc1ccc(cc1)N TS01634 [0,1,0,0,0,0|2,0,0]=3 242 B9R1.1 COc1ccc(cc1)N TS11193 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.1 COc1ccc(cc1)N TS93025 [0,1,0,0,0,0|2,0,0]=3 244 B9R1.1 COc1ccc(cc1)O TS02083 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.1 COc1ccc(cc1)S TS06486 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.1 COc1ccc(cn1)Br TS09790 [0,1,0,0,0,0|1,0,0]=2 248 B9R1.1 COc1ccc(cn1)Cl TS71503 [0,1,0,0,0,0|1,0,0]=2 249 B9R1.1 COc1ccc(cn1)F TS71544 [0,1,0,0,0,0|1,0,0]=2 250 B9R1.1 COc1ccc(cn1)I TS01075 [0,1,0,0,0,0|1,0,0]=2 251 B9R1.1 COc1ccc(cn1)N TS05017 [0,1,0,0,0,0|1,0,0]=2 252 B9R1.1 COc1ccc(cn1)O TS71568 [0,1,0,0,0,0|1,0,0]=2 253 B9R1.1 COc1ccc(nc1)Br TS08354 [0,1,0,0,0,0|1,0,0]=2 254 B9R1.1 COc1ccc(nc1)Cl TS00910 [0,1,0,0,0,0|1,0,0]=2 255 B9R1.1 COc1ccc(nc1)N TS47440 [0,1,0,0,0,0|1,0,0]=2 256 B9R1.1 COc1ccc(nn1)Cl TS02707 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.1 COc1ccc(nn1)N TS65871 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.1 COc1ccn(=O)cc1 TS71219 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.1 COc1cnc(cn1)Br TS08353 [0,1,0,0,0,0|0,0,0]=1 260 B9R1.1 COc1cnc(cn1)Cl TS40268 [0,1,0,0,0,0|0,0,0]=1 261 B9R1.1 COc1cnc(cn1)N TS47439 [0,1,0,0,0,0|0,0,0]=1 262 B9R1.1 COc1cnc(nc1)Br TS88266 [0,1,0,0,0,0|2,0,0]=3 263 B9R1.1 COc1cnc(nc1)Cl TS00911 [0,1,0,0,0,0|2,0,0]=3 264 B9R1.1 COc1cnc(nc1)N TS90642 [0,1,0,0,0,0|2,0,0]=3 265 B9R1.1 COc1ncc(cn1)Br TS09791 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.1 COc1ncc(cn1)N TS55434 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.1 CSc1ccc(cc1)Br TS09618 [0,1,0,0,0,0|2,1,0]=4 268 B9R1.1 CSc1ccc(cc1)Cl TS42001 [0,1,0,0,0,0|2,1,0]=4 269 B9R1.1 CSc1ccc(cc1)F TS06687 [0,1,0,0,0,0|2,1,0]=4 270 B9R1.1 CSc1ccc(cc1)I TS27986 [0,1,0,0,0,0|2,1,0]=4 271 B9R1.1 CSc1ccc(cc1)N TS06394 [0,1,0,0,0,0|2,1,0]=4 272 B9R1.1 CSc1ccc(cc1)O TS37396 [0,1,0,0,0,0|2,1,0]=4 273 B9R1.1 CSc1ccc(cc1)S TS41710 [0,1,0,0,0,0|2,1,0]=4 274 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [0,1,0,0,0,0|2,1,0]=4 275 B9R1.1 CSc1ccc(cn1)Br TS71433 [0,1,0,0,0,0|1,1,0]=3 276 B9R1.1 CSc1ccc(nc1)N TS37399 [0,1,0,0,0,0|1,1,0]=3 277 B9R1.1 CSc1ncc(cn1)Br TS38756 [0,1,0,0,0,0|2,1,0]=4 278 B9R1.1 Cc1ccc(cc1)NC TS32470 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.1 Cc1ccc(cc1)OC TS04894 [0,1,0,0,0,0|2,0,0]=3 280 B9R1.1 Cc1ccc(cc1)SC TS71244 [0,1,0,0,0,0|2,1,0]=4 281 B9R1.1 Cc1ccc(cn1)C#N TS03281 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.1 Cc1ccc(cn1)C=C TS55464 [0,1,0,0,0,0|2,0,1]=4 283 B9R1.1 Cc1ccc(cn1)C=O TS01266 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.1 Cc1ccc(cn1)CN TS88042 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.1 Cc1ccc(cn1)NN TS32994 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.1 Cc1ccc(cn1)NN TS94799 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.1 Cc1ccc(cn1)OC TS04979 [0,1,0,0,0,0|1,0,0]=2 288 B9R1.1 Cc1ccc(nc1)C#N TS55297 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.1 Cc1ccc(nc1)C=O TS01160 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.1 Cc1ccc(nc1)CN TS08057 [0,1,0,0,0,0|3,0,0]=4 291 B9R1.1 Cc1cnc(cn1)C#N TS01162 [0,1,0,0,0,0|2,0,0]=3 292 B9R1.1 Cc1cnc(cn1)C=C TS04818 [0,1,0,0,0,0|1,0,1]=3 293 B9R1.1 Cc1cnc(cn1)C=O TS88939 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.1 Cc1cnc(cn1)CCl TS85706 [0,1,0,0,0,0|2,0,0]=3 295 B9R1.1 Cc1cnc(cn1)CN TS08244 [0,1,0,0,0,0|2,0,0]=3 296 B9R1.1 c1c(ncc(n1)Br)C#N TS87425 [0,1,0,0,0,0|2,0,0]=3 297 B9R1.1 c1c(ncc(n1)Cl)C#N TS87748 [0,1,0,0,0,0|2,0,0]=3 298 B9R1.1 c1c(ncc(n1)Cl)C=O TS88126 [0,1,0,0,0,0|2,0,0]=3 299 B9R1.1 c1c(ncc(n1)Cl)CO TS88145 [0,1,0,0,0,0|2,0,0]=3 300 B9R1.1 c1c(ncc(n1)Cl)NN TS90176 [0,1,0,0,0,0|2,0,0]=3 301 B9R1.1 c1c(ncc(n1)N)C#N TS00782 [0,1,0,0,0,0|2,0,0]=3 302 B9R1.1 c1cc(ncc1Br)C#N TS71416 [0,1,0,0,0,0|3,0,0]=4 303 B9R1.1 c1cc(ncc1Br)C=O TS71427 [0,1,0,0,0,0|3,0,0]=4 304 B9R1.1 c1cc(ncc1Br)CO TS71442 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.1 c1cc(ncc1Br)NN TS71429 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.1 c1cc(ncc1C#N)Br TS55125 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.1 c1cc(ncc1C#N)Cl TS55237 [0,1,0,0,0,0|3,0,0]=4 308 B9R1.1 c1cc(ncc1C#N)F TS04893 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.1 c1cc(ncc1C#N)O TS39788 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.1 c1cc(ncc1C=O)Br TS16478 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.1 c1cc(ncc1C=O)F TS01040 [0,1,0,0,0,0|3,0,0]=4 313 B9R1.1 c1cc(ncc1C=O)N TS87752 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.1 c1cc(ncc1C=O)O TS55611 [0,1,0,0,0,0|3,0,0]=4 315 B9R1.1 c1cc(ncc1CBr)Cl TS71318 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.1 c1cc(ncc1CBr)F TS90058 [0,1,0,0,0,0|3,0,0]=4 317 B9R1.1 c1cc(ncc1CCl)Cl TS47256 [0,1,0,0,0,0|3,0,0]=4 318 B9R1.1 c1cc(ncc1CCl)F TS86320 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.1 c1cc(ncc1CN)Cl TS71379 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.1 c1cc(ncc1CN)F TS87785 [0,1,0,0,0,0|3,0,0]=4 321 B9R1.1 c1cc(ncc1CO)Br TS22929 [0,1,0,0,0,0|3,0,0]=4 322 B9R1.1 c1cc(ncc1CO)Cl TS55248 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.1 c1cc(ncc1CO)F TS85126 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.1 c1cc(ncc1CO)N TS46564 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.1 c1cc(ncc1Cl)C#N TS09833 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.1 c1cc(ncc1Cl)CCl TS87444 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.1 c1cc(ncc1F)C=O TS60090 [0,1,0,0,0,0|3,0,0]=4 329 B9R1.1 c1cc(ncc1F)CO TS88541 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.1 c1cc(ncc1N)C#N TS65869 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.1 c1cc(ncc1N)CN TS32573 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.1 c1cc(ncc1O)C#N TS55294 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.1 c1cc(ncc1O)C=O TS03343 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.2 C#Cc1cc(cnc1)Cl TS37136 [0,1,0,0,0,0|2,0,1]=4 335 B9R1.2 C=Cc1cc(cnc1)Br TS48517 [0,1,0,0,0,0|2,0,1]=4 336 B9R1.2 CCc1cc(cnc1)Br TS91617 [0,1,0,0,0,0|2,0,0]=3 337 B9R1.2 CCc1cccc(c1)Br TS32764 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.2 CCc1cccc(c1)C TS04835 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.2 CCc1cccc(c1)N TS32463 [0,1,0,0,0,0|3,0,0]=4 340 B9R1.2 CCc1cccc(c1)O TS04895 [0,1,0,0,0,0|3,0,0]=4 341 B9R1.2 CCc1cccc(n1)C TS32466 [0,1,0,0,0,0|2,0,0]=3 342 B9R1.2 CCc1cccc(n1)N TS60098 [0,1,0,0,0,0|2,0,0]=3 343 B9R1.2 CNc1cc(ccn1)Cl TS37689 [0,1,0,0,0,0|2,0,0]=3 344 B9R1.2 CNc1cc(ncn1)Cl TS55580 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.2 CNc1cccc(c1)Br TS48829 [0,1,0,0,0,0|3,0,0]=4 346 B9R1.2 CNc1cccc(c1)Cl TS37535 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.2 CNc1cccc(c1)F TS70598 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.2 CNc1cccc(n1)Cl TS94212 [0,1,0,0,0,0|2,0,0]=3 349 B9R1.2 CNc1ccnc(n1)Cl TS40122 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.2 CNc1ccnc(n1)N TS05024 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.2 CNc1nccc(n1)Cl TS59613 [0,1,0,0,0,0|3,0,0]=4 352 B9R1.2 COc1cc(=O)[nH]nc1 TS85110 [0,1,0,0,0,0|2,0,0]=3 353 B9R1.2 COc1cc(ccn1)Cl TS03053 [0,1,0,0,0,0|1,0,0]=2 354 B9R1.2 COc1cc(ccn1)F TS05258 [0,1,0,0,0,0|1,0,0]=2 355 B9R1.2 COc1cc(ccn1)I TS71184 [0,1,0,0,0,0|1,0,0]=2 356 B9R1.2 COc1cc(ccn1)N TS02966 [0,1,0,0,0,0|1,0,0]=2 357 B9R1.2 COc1cc(cnc1)Br TS65932 [0,1,0,0,0,0|1,0,0]=2 358 B9R1.2 COc1cc(cnc1)Cl TS06905 [0,1,0,0,0,0|1,0,0]=2 359 B9R1.2 COc1cc(cnc1)I TS25666 [0,1,0,0,0,0|1,0,0]=2 360 B9R1.2 COc1cc(cnc1)N TS55470 [0,1,0,0,0,0|1,0,0]=2 361 B9R1.2 COc1cc(cnc1)N TS89352 [0,1,0,0,0,0|1,0,0]=2 362 B9R1.2 COc1cc(cnc1)O TS55469 [0,1,0,0,0,0|1,0,0]=2 363 B9R1.2 COc1cc(ncn1)Cl TS09662 [0,1,0,0,0,0|2,0,0]=3 364 B9R1.2 COc1cc(ncn1)I TS71191 [0,1,0,0,0,0|2,0,0]=3 365 B9R1.2 COc1cc(ncn1)N TS70903 [0,1,0,0,0,0|2,0,0]=3 366 B9R1.2 COc1cc(nnc1)Cl TS89964 [0,1,0,0,0,0|2,0,0]=3 367 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [0,1,0,0,0,0|1,0,1]=3 369 B9R1.2 COc1cccc(c1)Br TS00028 [0,1,0,0,0,0|2,0,0]=3 370 B9R1.2 COc1cccc(c1)Cl TS37686 [0,1,0,0,0,0|2,0,0]=3 371 B9R1.2 COc1cccc(c1)F TS70591 [0,1,0,0,0,0|2,0,0]=3 372 B9R1.2 COc1cccc(c1)I TS39445 [0,1,0,0,0,0|2,0,0]=3 373 B9R1.2 COc1cccc(c1)N TS02081 [0,1,0,0,0,0|2,0,0]=3 374 B9R1.2 COc1cccc(c1)N TS11191 [0,1,0,0,0,0|2,0,0]=3 375 B9R1.2 COc1cccc(c1)O TS39714 [0,1,0,0,0,0|2,0,0]=3 376 B9R1.2 COc1cccc(c1)S TS70650 [0,1,0,0,0,0|2,0,0]=3 377 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [0,1,0,0,0,0|2,0,0]=3 378 B9R1.2 COc1cccc(n1)Br TS08366 [0,1,0,0,0,0|1,0,0]=2 379 B9R1.2 COc1cccc(n1)Cl TS55270 [0,1,0,0,0,0|1,0,0]=2 380 B9R1.2 COc1cccc(n1)I TS56597 [0,1,0,0,0,0|1,0,0]=2 381 B9R1.2 COc1cccc(n1)O TS05074 [0,1,0,0,0,0|1,0,0]=2 382 B9R1.2 COc1ccnc(c1)Br TS08328 [0,1,0,0,0,0|3,0,0]=4 383 B9R1.2 COc1ccnc(c1)Cl TS55226 [0,1,0,0,0,0|3,0,0]=4 384 B9R1.2 COc1ccnc(c1)N TS47406 [0,1,0,0,0,0|3,0,0]=4 385 B9R1.2 COc1ccnc(n1)Cl TS55227 [0,1,0,0,0,0|2,0,0]=3 386 B9R1.2 COc1ccnc(n1)I TS01070 [0,1,0,0,0,0|2,0,0]=3 387 B9R1.2 COc1ccnc(n1)N TS47407 [0,1,0,0,0,0|2,0,0]=3 388 B9R1.2 COc1cncc(n1)Cl TS90325 [0,1,0,0,0,0|0,0,0]=1 389 B9R1.2 COc1nccc(n1)Cl TS40269 [0,1,0,0,0,0|2,0,0]=3 390 B9R1.2 COc1nccc(n1)N TS90234 [0,1,0,0,0,0|2,0,0]=3 391 B9R1.2 CSc1[nH]c(=O)ccn1 TS89161 [0,1,0,0,0,0|2,1,0]=4 392 B9R1.2 CSc1cc(ncn1)Cl TS09667 [0,1,0,0,0,0|2,1,0]=4 393 B9R1.2 CSc1cccc(c1)Br TS60340 [0,1,0,0,0,0|2,1,0]=4 394 B9R1.2 CSc1cccc(c1)Cl TS42003 [0,1,0,0,0,0|2,1,0]=4 395 B9R1.2 CSc1cccc(c1)F TS60012 [0,1,0,0,0,0|2,1,0]=4 396 B9R1.2 CSc1cccc(c1)I TS27987 [0,1,0,0,0,0|2,1,0]=4 397 B9R1.2 CSc1cccc(c1)N TS02674 [0,1,0,0,0,0|2,1,0]=4 398 B9R1.2 CSc1ccnc(n1)Cl TS11338 [0,1,0,0,0,0|2,1,0]=4 399 B9R1.2 CSc1nccc(n1)Cl TS71017 [0,1,0,0,0,0|2,1,0]=4 400 B9R1.2 CSc1nccc(n1)I TS71187 [0,1,0,0,0,0|2,1,0]=4 401 B9R1.2 CSc1nccc(n1)N TS37508 [0,1,0,0,0,0|2,1,0]=4 402 B9R1.2 CSc1nccc(n1)O TS65608 [0,1,0,0,0,0|2,1,0]=4 403 B9R1.2 Cc1cc(cnc1)C#N TS46458 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.2 Cc1cc(cnc1)C=O TS01158 [0,1,0,0,0,0|3,0,0]=4 405 B9R1.2 Cc1cc(cnc1)CCl TS46377 [0,1,0,0,0,0|3,0,0]=4 406 B9R1.2 Cc1cc(cnc1)CO TS04972 [0,1,0,0,0,0|3,0,0]=4 407 B9R1.2 Cc1cc(cnc1)OC TS04960 [0,1,0,0,0,0|1,0,0]=2 408 B9R1.2 Cc1cccc(c1)NC TS32467 [0,1,0,0,0,0|3,0,0]=4 409 B9R1.2 Cc1cccc(c1)OC TS32509 [0,1,0,0,0,0|2,0,0]=3 410 B9R1.2 Cc1cccc(n1)C#N TS55295 [0,1,0,0,0,0|3,0,0]=4 411 B9R1.2 Cc1cccc(n1)C=C TS04794 [0,1,0,0,0,0|2,0,1]=4 412 B9R1.2 Cc1cccc(n1)C=O TS85261 [0,1,0,0,0,0|3,0,0]=4 413 B9R1.2 Cc1cccc(n1)CBr TS30360 [0,1,0,0,0,0|3,0,0]=4 414 B9R1.2 Cc1cccc(n1)CBr TS48832 [0,1,0,0,0,0|3,0,0]=4 415 B9R1.2 Cc1cccc(n1)CCl TS46378 [0,1,0,0,0,0|3,0,0]=4 416 B9R1.2 Cc1cccc(n1)CN TS01962 [0,1,0,0,0,0|3,0,0]=4 417 B9R1.2 Cc1cccc(n1)CO TS04961 [0,1,0,0,0,0|3,0,0]=4 418 B9R1.2 Cc1cccc(n1)OC TS00087 [0,1,0,0,0,0|1,0,0]=2 419 B9R1.2 Cc1ccnc(c1)C#N TS55293 [0,1,0,0,0,0|3,0,0]=4 420 B9R1.2 Cc1ccnc(c1)C=O TS03178 [0,1,0,0,0,0|3,0,0]=4 421 B9R1.2 Cc1ccnc(c1)CN TS04912 [0,1,0,0,0,0|3,0,0]=4 422 B9R1.2 Cc1ccnc(c1)OC TS04955 [0,1,0,0,0,0|1,0,0]=2 423 B9R1.2 Cc1ccnc(n1)SC TS85152 [0,1,0,0,0,0|2,1,0]=4 424 B9R1.2 c1c(cncc1Br)C#N TS09810 [0,1,0,0,0,0|3,0,0]=4 425 B9R1.2 c1c(cncc1Br)C=O TS16988 [0,1,0,0,0,0|3,0,0]=4 426 B9R1.2 c1c(cncc1Br)CCl TS26941 [0,1,0,0,0,0|3,0,0]=4 427 B9R1.2 c1c(cncc1Br)CN TS49021 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.2 c1c(cncc1Br)CO TS16995 [0,1,0,0,0,0|3,0,0]=4 429 B9R1.2 c1c(cncc1Cl)C#N TS08751 [0,1,0,0,0,0|3,0,0]=4 430 B9R1.2 c1c(cncc1Cl)C=O TS37528 [0,1,0,0,0,0|3,0,0]=4 431 B9R1.2 c1c(cncc1Cl)CCl TS91325 [0,1,0,0,0,0|3,0,0]=4 432 B9R1.2 c1c(cncc1Cl)CO TS08050 [0,1,0,0,0,0|3,0,0]=4 433 B9R1.2 c1c(cncc1F)C#N TS65166 [0,1,0,0,0,0|3,0,0]=4 434 B9R1.2 c1c(cncc1F)C=O TS03322 [0,1,0,0,0,0|3,0,0]=4 435 B9R1.2 c1c(cncc1F)CCl TS91777 [0,1,0,0,0,0|3,0,0]=4 436 B9R1.2 c1c(cncc1F)CN TS90364 [0,1,0,0,0,0|3,0,0]=4 437 B9R1.2 c1c(cncc1F)CO TS86069 [0,1,0,0,0,0|3,0,0]=4 438 B9R1.2 c1c(cncc1I)C=O TS25323 [0,1,0,0,0,0|3,0,0]=4 439 B9R1.2 c1c(cncc1I)CCl TS58052 [0,1,0,0,0,0|3,0,0]=4 440 B9R1.2 c1c(cncc1I)CO TS56598 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.2 c1c(cncc1N)C#N TS04777 [0,1,0,0,0,0|3,0,0]=4 442 B9R1.2 c1c(cncc1N)CO TS32612 [0,1,0,0,0,0|3,0,0]=4 443 B9R1.2 c1c(nc(cn1)Cl)C#N TS59956 [0,1,0,0,0,0|2,0,0]=3 444 B9R1.2 c1c(nc(cn1)Cl)C#N TS89608 [0,1,0,0,0,0|2,0,0]=3 445 B9R1.2 c1c(nc(cn1)Cl)C=O TS87072 [0,1,0,0,0,0|2,0,0]=3 446 B9R1.2 c1c(nc(cn1)Cl)CN TS87934 [0,1,0,0,0,0|2,0,0]=3 447 B9R1.2 c1c(nc(cn1)Cl)CO TS85795 [0,1,0,0,0,0|2,0,0]=3 448 B9R1.2 c1c(nc(cn1)N)C#N TS90029 [0,1,0,0,0,0|2,0,0]=3 449 B9R1.2 c1cc(nc(c1)Br)C#N TS32666 [0,1,0,0,0,0|3,0,0]=4 450 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [0,1,0,0,0,0|3,0,0]=4 451 B9R1.2 c1cc(nc(c1)Br)CBr TS28129 [0,1,0,0,0,0|3,0,0]=4 452 B9R1.2 c1cc(nc(c1)Br)CN TS49016 [0,1,0,0,0,0|3,0,0]=4 453 B9R1.2 c1cc(nc(c1)Br)CO TS55136 [0,1,0,0,0,0|3,0,0]=4 454 B9R1.2 c1cc(nc(c1)Br)NN TS50645 [0,1,0,0,0,0|3,0,0]=4 455 B9R1.2 c1cc(nc(c1)Cl)C#N TS00942 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.2 c1cc(nc(c1)Cl)C=O TS55586 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.2 c1cc(nc(c1)Cl)CBr TS39094 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.2 c1cc(nc(c1)Cl)CO TS46565 [0,1,0,0,0,0|3,0,0]=4 459 B9R1.2 c1cc(nc(c1)Cl)CO TS55567 [0,1,0,0,0,0|3,0,0]=4 460 B9R1.2 c1cc(nc(c1)Cl)NN TS55261 [0,1,0,0,0,0|3,0,0]=4 461 B9R1.2 c1cc(nc(c1)F)C#N TS32482 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.2 c1cc(nc(c1)F)C=O TS55360 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.2 c1cc(nc(c1)I)CO TS25668 [0,1,0,0,0,0|3,0,0]=4 464 B9R1.2 c1cnc(cc1Br)C#N TS71010 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.2 c1cnc(cc1Br)C=O TS71011 [0,1,0,0,0,0|3,0,0]=4 466 B9R1.2 c1cnc(cc1Br)CN TS39553 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.2 c1cnc(cc1Br)CN TS87352 [0,1,0,0,0,0|3,0,0]=4 468 B9R1.2 c1cnc(cc1Br)CO TS08030 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.2 c1cnc(cc1Cl)C#N TS09690 [0,1,0,0,0,0|3,0,0]=4 470 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [0,1,0,0,0,0|3,0,0]=4 471 B9R1.2 c1cnc(cc1Cl)CN TS37691 [0,1,0,0,0,0|3,0,0]=4 472 B9R1.2 c1cnc(cc1Cl)CN TS44724 [0,1,0,0,0,0|3,0,0]=4 473 B9R1.2 c1cnc(cc1Cl)CO TS08035 [0,1,0,0,0,0|3,0,0]=4 474 B9R1.2 c1cnc(cc1Cl)NN TS94440 [0,1,0,0,0,0|3,0,0]=4 475 B9R1.2 c1cnc(cc1F)C#N TS04891 [0,1,0,0,0,0|3,0,0]=4 476 B9R1.2 c1cnc(cc1N)C#N TS32398 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.6 B(c1cccnc1)(O)O TS02468 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.6 B(c1cccnc1)(O)O TS11179 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.6 CC(=C)c1ccccc1 TS32349 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.6 CC(=O)c1ccccc1 TS32455 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.6 CC(=O)c1ccccc1 TS32456 [0,1,0,0,0,0|3,0,0]=4 482 B9R1.6 CC(=O)c1ccccc1 TS38236 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.6 CC(=O)c1ccccc1 TS55713 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.6 CC(=O)c1ccccn1 TS04861 [0,1,0,0,0,0|2,0,0]=3 485 B9R1.6 CC(=O)c1cccnc1 TS65831 [0,1,0,0,0,0|2,0,0]=3 486 B9R1.6 CC(=O)c1cccnn1 TS87133 [0,1,0,0,0,0|3,0,0]=4 487 B9R1.6 CC(=O)c1ccncn1 TS87400 [0,1,0,0,0,0|3,0,0]=4 488 B9R1.6 CC(=O)c1ccnnc1 TS89714 [0,1,0,0,0,0|3,0,0]=4 489 B9R1.6 CC(=O)c1cnccn1 TS55718 [0,1,0,0,0,0|1,0,0]=2 490 B9R1.6 CC(=O)c1cncnc1 TS46735 [0,1,0,0,0,0|3,0,0]=4 491 B9R1.6 CC(=O)c1ncccn1 TS91588 [0,1,0,0,0,0|3,0,0]=4 492 B9R1.6 CC(C)c1ccccn1 TS32479 [0,1,0,0,0,0|2,0,0]=3 493 B9R1.6 CC(C)c1ccccn1 TS49188 [0,1,0,0,0,0|2,0,0]=3 494 B9R1.6 CC(C)c1cnccn1 TS04911 [0,1,0,0,0,0|1,0,0]=2 495 B9R1.6 CC(c1ccccc1)Cl TS37453 [0,1,0,0,0,0|3,0,0]=4 496 B9R1.6 CC(c1ccccc1)N TS55879 [0,1,0,0,0,0|3,0,0]=4 497 B9R1.6 CC(c1ccccc1)O TS04908 [0,1,0,0,0,0|3,0,0]=4 498 B9R1.6 CC(c1ccccn1)N TS47025 [0,1,0,0,0,0|2,0,0]=3 499 B9R1.6 CC(c1ccccn1)N TS59503 [0,1,0,0,0,0|2,0,0]=3 500 B9R1.6 CC(c1ccccn1)O TS08930 [0,1,0,0,0,0|2,0,0]=3 501 B9R1.6 CC(c1cccnc1)N TS59573 [0,1,0,0,0,0|2,0,0]=3 502 B9R1.6 CC(c1ccncn1)N TS91641 [0,1,0,0,0,0|3,0,0]=4 503 B9R1.6 CC(c1ccnnc1)N TS88664 [0,1,0,0,0,0|3,0,0]=4 504 B9R1.6 CC(c1cnccn1)N TS86731 [0,1,0,0,0,0|1,0,0]=2 505 B9R1.6 CC(c1cncnc1)N TS88597 [0,1,0,0,0,0|3,0,0]=4 506 B9R1.6 CN(C)c1ccccc1 TS56353 [0,1,0,0,0,0|3,0,0]=4 507 B9R1.6 CN(C)c1ccccn1 TS04916 [0,1,0,0,0,0|2,0,0]=3 508 B9R1.6 CN(C)c1cccnc1 TS32521 [0,1,0,0,0,0|2,0,0]=3 509 B9R1.6 CN(c1ccccc1)N TS46980 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.6 CP(C)c1ccccc1 TS37178 [0,1,0,0,0,0|3,0,0]=4 511 B9R1.6 CP(C)c1ccccc1 TS75399 [0,1,0,0,0,0|3,0,0]=4 512 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [0,1,0,0,0,0|3,0,0]=4 513 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [0,1,0,0,0,0|2,0,0]=3 515 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [0,1,0,0,0,0|2,0,0]=3 516 B9R1.6 C[C@@H](c1cncnc1)N TS86849 [0,1,0,0,0,0|3,0,0]=4 517 B9R1.6 C[C@H](c1ccccc1)N TS00310 [0,1,0,0,0,0|3,0,0]=4 518 B9R1.6 C[C@H](c1ccccc1)N TS29339 [0,1,0,0,0,0|3,0,0]=4 519 B9R1.6 C[C@H](c1ccccc1)O TS04906 [0,1,0,0,0,0|3,0,0]=4 520 B9R1.6 C[C@H](c1ccccn1)O TS04976 [0,1,0,0,0,0|2,0,0]=3 521 B9R1.6 C[C@H](c1cccnc1)O TS04956 [0,1,0,0,0,0|2,0,0]=3 522 B9R1.6 C[C@H](c1cncnc1)N TS90168 [0,1,0,0,0,0|3,0,0]=4 523 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [0,1,0,0,0,0|3,0,0]=4 524 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [0,1,0,0,0,0|3,0,0]=4 525 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [0,1,0,0,0,0|3,0,0]=4 526 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [0,1,0,0,0,0|3,0,0]=4 527 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [0,1,0,0,0,0|3,0,0]=4 529 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [0,1,0,0,0,0|3,0,0]=4 530 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [0,1,0,0,0,0|3,0,0]=4 531 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [0,1,0,0,0,0|3,0,0]=4 532 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [0,1,0,0,0,0|3,0,0]=4 533 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [0,1,0,0,0,0|3,0,0]=4 534 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [0,1,0,0,0,0|3,0,0]=4 535 B9R1.6 c1cc(cnc1)[N+](=O)[O-] TS05007 [0,1,0,0,0,0|3,0,0]=4 536 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [0,1,0,0,0,0|3,0,0]=4 537 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [0,1,0,0,0,0|3,0,0]=4 538 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [0,1,0,0,0,0|3,0,0]=4 539 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [0,1,0,0,0,0|3,0,0]=4 540 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [0,1,0,0,0,0|3,0,0]=4 541 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [0,1,0,0,0,0|3,0,0]=4 542 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [0,1,0,0,0,0|3,0,0]=4 543 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [0,1,0,0,0,0|3,0,0]=4 544 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [0,1,0,0,0,0|3,0,0]=4 545 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [0,1,0,0,0,0|3,0,0]=4 546 B9R1.6 c1cnc(cn1)C(=N)N TS32502 [0,1,0,0,0,0|2,0,0]=3 547 B9R1.6 c1cnc(cn1)C(=N)N TS59360 [0,1,0,0,0,0|2,0,0]=3 548 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [0,1,0,0,0,0|2,0,0]=3 549 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [0,1,0,0,0,0|2,0,0]=3 550 B9R1.6 c1cnc(cn1)C(=S)N TS37306 [0,1,0,0,0,0|2,0,0]=3 551 B9R1.6 c1cnnc(n1)C(=O)O TS36044 [0,1,0,0,0,0|3,0,0]=4 552 B9R1.8 CC#Cc1ccccc1 TS04599 [0,1,0,0,0,0|3,0,0]=4 553 B9R1.8 CC=Cc1ccccc1 TS32346 [0,1,0,0,0,0|3,0,0]=4 554 B9R1.8 CCCc1ccccc1 TS04832 [0,1,0,0,0,0|3,0,0]=4 555 B9R1.8 CCCc1ccccn1 TS85359 [0,1,0,0,0,0|2,0,0]=3 556 B9R1.8 CCCc1cnccn1 TS59984 [0,1,0,0,0,0|1,0,0]=2 557 B9R1.8 CCNc1ccccc1 TS04869 [0,1,0,0,0,0|3,0,0]=4 558 B9R1.8 CCOc1ccccc1 TS04896 [0,1,0,0,0,0|2,0,0]=3 559 B9R1.8 CCOc1ccccn1 TS55309 [0,1,0,0,0,0|1,0,0]=2 560 B9R1.8 CCOc1ccncc1 TS04974 [0,1,0,0,0,0|3,0,0]=4 561 B9R1.8 CCOc1cnccn1 TS05010 [0,1,0,0,0,0|0,0,0]=1 562 B9R1.8 CCSc1ccccc1 TS06299 [0,1,0,0,0,0|2,1,0]=4 563 B9R1.8 CNCc1ccccc1 TS01938 [0,1,0,0,0,0|3,0,0]=4 564 B9R1.8 CNCc1ccccn1 TS51966 [0,1,0,0,0,0|2,0,0]=3 565 B9R1.8 CNCc1cccnc1 TS02609 [0,1,0,0,0,0|2,0,0]=3 566 B9R1.8 CNCc1ccncn1 TS32568 [0,1,0,0,0,0|3,0,0]=4 567 B9R1.8 CNCc1cnccn1 TS01556 [0,1,0,0,0,0|1,0,0]=2 568 B9R1.8 CNCc1cncnc1 TS91331 [0,1,0,0,0,0|3,0,0]=4 569 B9R1.8 CNCc1ncccn1 TS90445 [0,1,0,0,0,0|3,0,0]=4 570 B9R1.8 CNNc1ccccc1 TS85406 [0,1,0,0,0,0|3,0,0]=4 571 B9R1.8 COCc1ccccc1 TS04897 [0,1,0,0,0,0|2,0,0]=3 572 B9R1.8 COCc1ccccn1 TS00518 [0,1,0,0,0,0|1,0,0]=2 573 B9R1.8 CSCc1ccccc1 TS06309 [0,1,0,0,0,0|2,1,0]=4 574 B9R1.8 CSSc1ccccc1 TS41708 [0,1,0,0,0,0|2,1,0]=4 575 B9R1.8 c1cc(cnc1)C=NO TS32495 [0,1,0,0,0,0|3,0,0]=4 576 B9R1.8 c1cc(cnc1)CC#N TS04724 [0,1,0,0,0,0|2,0,1]=4 577 B9R1.8 c1cc(cnc1)CCN TS41995 [0,1,0,0,0,0|2,0,0]=3 578 B9R1.8 c1cc(cnc1)CCN TS65667 [0,1,0,0,0,0|2,0,0]=3 579 B9R1.8 c1cc(cnc1)CCO TS39614 [0,1,0,0,0,0|2,0,0]=3 580 B9R1.8 c1cc(cnc1)CNN TS87066 [0,1,0,0,0,0|3,0,0]=4 581 B9R1.8 c1cc(cnc1)N=C=O TS32413 [0,1,0,0,0,0|2,0,1]=4 582 B9R1.8 c1ccc(cc1)CCBr TS15419 [0,1,0,0,0,0|3,0,0]=4 583 B9R1.8 c1ccc(cc1)CCCl TS37454 [0,1,0,0,0,0|3,0,0]=4 584 B9R1.8 c1ccc(cc1)CCI TS25156 [0,1,0,0,0,0|3,0,0]=4 585 B9R1.8 c1ccc(cc1)CCN TS22602 [0,1,0,0,0,0|3,0,0]=4 586 B9R1.8 c1ccc(cc1)CCN TS65627 [0,1,0,0,0,0|3,0,0]=4 587 B9R1.8 c1ccc(cc1)CCO TS04901 [0,1,0,0,0,0|3,0,0]=4 588 B9R1.8 c1ccc(cc1)CCS TS06307 [0,1,0,0,0,0|3,0,0]=4 589 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [0,1,0,0,0,0|3,0,0]=4 590 B9R1.8 c1ccc(cc1)OC#N TS32392 [0,1,0,0,0,0|2,0,1]=4 591 B9R1.8 c1ccc(cc1)OC=O TS32488 [0,1,0,0,0,0|2,0,1]=4 592 B9R1.8 c1ccc(cc1)SCCl TS42004 [0,1,0,0,0,0|2,1,0]=4 593 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [0,1,0,0,0,0|3,0,0]=4 594 B9R1.8 c1ccnc(c1)C=NO TS53320 [0,1,0,0,0,0|3,0,0]=4 595 B9R1.8 c1ccnc(c1)C=NO TS94195 [0,1,0,0,0,0|3,0,0]=4 596 B9R1.8 c1ccnc(c1)CC#N TS04723 [0,1,0,0,0,0|2,0,1]=4 597 B9R1.8 c1ccnc(c1)CCCl TS37532 [0,1,0,0,0,0|2,0,0]=3 598 B9R1.8 c1ccnc(c1)CCN TS04914 [0,1,0,0,0,0|2,0,0]=3 599 B9R1.8 c1ccnc(c1)CCN TS17997 [0,1,0,0,0,0|2,0,0]=3 600 B9R1.8 c1ccnc(c1)CCO TS04967 [0,1,0,0,0,0|2,0,0]=3 601 B9R1.8 c1ccnc(c1)CNN TS87756 [0,1,0,0,0,0|3,0,0]=4 602 B9R1.8 c1ccnc(c1)N=C=S TS37004 [0,1,0,0,0,0|2,0,1]=4 603 B9R1.8 c1ccnc(c1)NC=O TS32499 [0,1,0,0,0,0|2,0,1]=4 604 B9R1.8 c1cnc(cn1)CC#N TS87071 [0,1,0,0,0,0|1,0,1]=3 605 B9R1.8 c1cnc(cn1)CCN TS32564 [0,1,0,0,0,0|1,0,0]=2 606 B9R1.8 c1cnc(cn1)CCS TS37406 [0,1,0,0,0,0|1,0,0]=2 607 B9R1.8 c1cnc(cn1)CNN TS88060 [0,1,0,0,0,0|2,0,0]=3 608 B9R1.8 c1cncnc1CCN TS86707 [0,1,0,0,0,0|3,0,0]=4 609 B9R1.15 CCc1c(cncn1)F TS71104 [0,1,0,0,0,0|3,0,0]=4 610 B9R1.15 CCc1c(nccn1)C TS04922 [0,1,0,0,0,0|1,0,0]=2 611 B9R1.15 CCc1cccc[n+]1[O-] TS32558 [0,1,0,0,0,0|2,0,1]=4 612 B9R1.15 CCc1ccccc1Br TS15420 [0,1,0,0,0,0|3,0,0]=4 613 B9R1.15 CCc1ccccc1C TS16337 [0,1,0,0,0,0|3,0,0]=4 614 B9R1.15 CCc1ccccc1Cl TS37450 [0,1,0,0,0,0|3,0,0]=4 615 B9R1.15 CCc1ccccc1I TS25157 [0,1,0,0,0,0|3,0,0]=4 616 B9R1.15 CCc1ccccc1N TS32474 [0,1,0,0,0,0|3,0,0]=4 617 B9R1.15 CCc1ccccc1O TS04900 [0,1,0,0,0,0|3,0,0]=4 618 B9R1.15 CCc1ccccc1S TS06304 [0,1,0,0,0,0|3,0,0]=4 619 B9R1.15 CCc1cccnc1C TS32475 [0,1,0,0,0,0|2,0,0]=3 620 B9R1.15 CCc1cnccc1Br TS92322 [0,1,0,0,0,0|2,0,0]=3 621 B9R1.15 CCc1cnccc1C TS32480 [0,1,0,0,0,0|2,0,0]=3 622 B9R1.15 CCc1cncnc1Cl TS71037 [0,1,0,0,0,0|3,0,0]=4 623 B9R1.15 CCc1cncnc1O TS05018 [0,1,0,0,0,0|3,0,0]=4 624 B9R1.15 CNc1c(cccn1)Br TS49024 [0,1,0,0,0,0|2,0,0]=3 625 B9R1.15 CNc1c(cccn1)Cl TS44725 [0,1,0,0,0,0|2,0,0]=3 626 B9R1.15 CNc1ccccc1Cl TS37531 [0,1,0,0,0,0|3,0,0]=4 627 B9R1.15 CNc1ccccc1F TS56413 [0,1,0,0,0,0|3,0,0]=4 628 B9R1.15 CNc1ccccc1N TS01587 [0,1,0,0,0,0|3,0,0]=4 629 B9R1.15 CNc1ccccc1N TS41998 [0,1,0,0,0,0|3,0,0]=4 630 B9R1.15 CNc1ccccc1N TS60152 [0,1,0,0,0,0|3,0,0]=4 631 B9R1.15 CNc1ccccc1O TS04968 [0,1,0,0,0,0|3,0,0]=4 632 B9R1.15 CNc1cccnc1Br TS49018 [0,1,0,0,0,0|2,0,0]=3 633 B9R1.15 CNc1cccnc1Cl TS06799 [0,1,0,0,0,0|2,0,0]=3 634 B9R1.15 CNc1cccnc1Cl TS46508 [0,1,0,0,0,0|2,0,0]=3 635 B9R1.15 COc1c(cccn1)Br TS65905 [0,1,0,0,0,0|1,0,0]=2 636 B9R1.15 COc1c(cccn1)Cl TS65976 [0,1,0,0,0,0|1,0,0]=2 637 B9R1.15 COc1c(cccn1)F TS36212 [0,1,0,0,0,0|1,0,0]=2 638 B9R1.15 COc1c(cccn1)I TS02808 [0,1,0,0,0,0|1,0,0]=2 639 B9R1.15 COc1c(cccn1)N TS02635 [0,1,0,0,0,0|1,0,0]=2 640 B9R1.15 COc1c(nccn1)Cl TS55197 [0,1,0,0,0,0|0,0,0]=1 641 B9R1.15 COc1c(nccn1)N TS47372 [0,1,0,0,0,0|0,0,0]=1 642 B9R1.15 COc1ccccc1Br TS00023 [0,1,0,0,0,0|2,0,0]=3 643 B9R1.15 COc1ccccc1Cl TS37688 [0,1,0,0,0,0|2,0,0]=3 644 B9R1.15 COc1ccccc1F TS60288 [0,1,0,0,0,0|2,0,0]=3 645 B9R1.15 COc1ccccc1I TS09308 [0,1,0,0,0,0|2,0,0]=3 646 B9R1.15 COc1ccccc1N TS29238 [0,1,0,0,0,0|2,0,0]=3 647 B9R1.15 COc1ccccc1N TS59329 [0,1,0,0,0,0|2,0,0]=3 648 B9R1.15 COc1ccccc1P TS06425 [0,1,0,0,0,0|2,0,0]=3 649 B9R1.15 COc1ccccc1S TS37393 [0,1,0,0,0,0|2,0,0]=3 650 B9R1.15 COc1ccccc1[Zn+] TS74540 [0,1,0,0,0,0|2,0,0]=3 651 B9R1.15 COc1cccnc1Br TS08305 [0,1,0,0,0,0|1,0,0]=2 652 B9R1.15 COc1cccnc1Cl TS55198 [0,1,0,0,0,0|1,0,0]=2 653 B9R1.15 COc1cccnc1I TS25665 [0,1,0,0,0,0|1,0,0]=2 654 B9R1.15 COc1cccnc1N TS47373 [0,1,0,0,0,0|1,0,0]=2 655 B9R1.15 COc1cccnc1O TS55383 [0,1,0,0,0,0|1,0,0]=2 656 B9R1.15 COc1ccncc1Br TS09454 [0,1,0,0,0,0|3,0,0]=4 657 B9R1.15 COc1ccncc1I TS02810 [0,1,0,0,0,0|3,0,0]=4 658 B9R1.15 COc1ccncc1N TS65861 [0,1,0,0,0,0|3,0,0]=4 659 B9R1.15 CSc1ccccc1Br TS19526 [0,1,0,0,0,0|2,1,0]=4 660 B9R1.15 CSc1ccccc1Cl TS42002 [0,1,0,0,0,0|2,1,0]=4 661 B9R1.15 CSc1ccccc1F TS06689 [0,1,0,0,0,0|2,1,0]=4 662 B9R1.15 CSc1ccccc1I TS27990 [0,1,0,0,0,0|2,1,0]=4 663 B9R1.15 CSc1ccccc1O TS37395 [0,1,0,0,0,0|2,1,0]=4 664 B9R1.15 CSc1ccccc1[Zn+] TS76795 [0,1,0,0,0,0|2,1,0]=4 665 B9R1.15 Cc1c(cccn1)C#N TS60304 [0,1,0,0,0,0|3,0,0]=4 666 B9R1.15 Cc1c(cccn1)C=O TS02436 [0,1,0,0,0,0|3,0,0]=4 667 B9R1.15 Cc1c(cccn1)CBr TS87803 [0,1,0,0,0,0|3,0,0]=4 668 B9R1.15 Cc1c(cccn1)CCl TS90028 [0,1,0,0,0,0|3,0,0]=4 669 B9R1.15 Cc1c(cccn1)CN TS32520 [0,1,0,0,0,0|3,0,0]=4 670 B9R1.15 Cc1c(cccn1)CO TS04969 [0,1,0,0,0,0|3,0,0]=4 671 B9R1.15 Cc1c(cccn1)OC TS04964 [0,1,0,0,0,0|1,0,0]=2 672 B9R1.15 Cc1c(nccn1)C=O TS86293 [0,1,0,0,0,0|2,0,0]=3 673 B9R1.15 Cc1c(nccn1)CCl TS88673 [0,1,0,0,0,0|2,0,0]=3 674 B9R1.15 Cc1c(nccn1)CN TS92714 [0,1,0,0,0,0|2,0,0]=3 675 B9R1.15 Cc1c(nccn1)CO TS88558 [0,1,0,0,0,0|2,0,0]=3 676 B9R1.15 Cc1c(nccn1)OC TS55427 [0,1,0,0,0,0|0,0,0]=1 677 B9R1.15 Cc1c(nccn1)SC TS37401 [0,1,0,0,0,0|0,1,0]=2 678 B9R1.15 Cc1ccccc1NC TS32471 [0,1,0,0,0,0|3,0,0]=4 679 B9R1.15 Cc1ccccc1OC TS32508 [0,1,0,0,0,0|2,0,0]=3 680 B9R1.15 Cc1cccnc1C#N TS55290 [0,1,0,0,0,0|3,0,0]=4 681 B9R1.15 Cc1cccnc1C=O TS70677 [0,1,0,0,0,0|3,0,0]=4 682 B9R1.15 Cc1cccnc1CCl TS91176 [0,1,0,0,0,0|3,0,0]=4 683 B9R1.15 Cc1cccnc1CN TS32513 [0,1,0,0,0,0|3,0,0]=4 684 B9R1.15 Cc1cccnc1CO TS04977 [0,1,0,0,0,0|3,0,0]=4 685 B9R1.15 Cc1cccnc1OC TS04965 [0,1,0,0,0,0|1,0,0]=2 686 B9R1.15 Cc1ccncc1C#N TS66015 [0,1,0,0,0,0|3,0,0]=4 687 B9R1.15 Cc1ccncc1C=O TS32454 [0,1,0,0,0,0|3,0,0]=4 688 B9R1.15 Cc1ccncc1CCl TS88594 [0,1,0,0,0,0|3,0,0]=4 689 B9R1.15 Cc1ccncc1CN TS04915 [0,1,0,0,0,0|3,0,0]=4 690 B9R1.15 Cc1ccncc1CO TS04980 [0,1,0,0,0,0|3,0,0]=4 691 B9R1.15 Cc1ccncc1NC TS04920 [0,1,0,0,0,0|2,0,0]=3 692 B9R1.15 c1cc(c(nc1)Br)C#N TS08295 [0,1,0,0,0,0|3,0,0]=4 693 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [0,1,0,0,0,0|3,0,0]=4 694 B9R1.15 c1cc(c(nc1)Br)CBr TS55083 [0,1,0,0,0,0|3,0,0]=4 695 B9R1.15 c1cc(c(nc1)C#N)Br TS16860 [0,1,0,0,0,0|3,0,0]=4 696 B9R1.15 c1cc(c(nc1)C#N)Cl TS65964 [0,1,0,0,0,0|3,0,0]=4 697 B9R1.15 c1cc(c(nc1)C#N)F TS00973 [0,1,0,0,0,0|3,0,0]=4 698 B9R1.15 c1cc(c(nc1)C#N)I TS52930 [0,1,0,0,0,0|3,0,0]=4 699 B9R1.15 c1cc(c(nc1)C#N)N TS02628 [0,1,0,0,0,0|3,0,0]=4 700 B9R1.15 c1cc(c(nc1)C#N)O TS55289 [0,1,0,0,0,0|3,0,0]=4 701 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [0,1,0,0,0,0|3,0,0]=4 702 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [0,1,0,0,0,0|3,0,0]=4 703 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [0,1,0,0,0,0|3,0,0]=4 704 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [0,1,0,0,0,0|3,0,0]=4 705 B9R1.15 c1cc(c(nc1)CBr)F TS85731 [0,1,0,0,0,0|3,0,0]=4 706 B9R1.15 c1cc(c(nc1)CBr)O TS08820 [0,1,0,0,0,0|3,0,0]=4 707 B9R1.15 c1cc(c(nc1)CCl)F TS86737 [0,1,0,0,0,0|3,0,0]=4 708 B9R1.15 c1cc(c(nc1)CN)F TS86282 [0,1,0,0,0,0|3,0,0]=4 709 B9R1.15 c1cc(c(nc1)CO)F TS88540 [0,1,0,0,0,0|3,0,0]=4 710 B9R1.15 c1cc(c(nc1)CO)N TS05011 [0,1,0,0,0,0|3,0,0]=4 711 B9R1.15 c1cc(c(nc1)CO)O TS55400 [0,1,0,0,0,0|3,0,0]=4 712 B9R1.15 c1cc(c(nc1)CO)O TS70604 [0,1,0,0,0,0|3,0,0]=4 713 B9R1.15 c1cc(c(nc1)Cl)C#N TS55285 [0,1,0,0,0,0|3,0,0]=4 714 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [0,1,0,0,0,0|3,0,0]=4 715 B9R1.15 c1cc(c(nc1)Cl)CCl TS86687 [0,1,0,0,0,0|3,0,0]=4 716 B9R1.15 c1cc(c(nc1)Cl)CO TS55211 [0,1,0,0,0,0|3,0,0]=4 717 B9R1.15 c1cc(c(nc1)F)C#N TS32483 [0,1,0,0,0,0|3,0,0]=4 718 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [0,1,0,0,0,0|3,0,0]=4 719 B9R1.15 c1cc(c(nc1)F)CN TS08409 [0,1,0,0,0,0|3,0,0]=4 720 B9R1.15 c1cc(c(nc1)F)CO TS55320 [0,1,0,0,0,0|3,0,0]=4 721 B9R1.15 c1cc(c(nc1)N)C#N TS47359 [0,1,0,0,0,0|3,0,0]=4 722 B9R1.15 c1cc(c(nc1)N)CCl TS08290 [0,1,0,0,0,0|3,0,0]=4 723 B9R1.15 c1cc(c(nc1)N)CO TS47364 [0,1,0,0,0,0|3,0,0]=4 724 B9R1.15 c1cc(c(nc1)NN)Cl TS60341 [0,1,0,0,0,0|3,0,0]=4 725 B9R1.15 c1cc(c(nc1)O)C#N TS07723 [0,1,0,0,0,0|3,0,0]=4 726 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [0,1,0,0,0,0|3,0,0]=4 727 B9R1.15 c1cc(c(nc1)O)CN TS42244 [0,1,0,0,0,0|3,0,0]=4 728 B9R1.15 c1cnc(c(n1)C#N)Cl TS66007 [0,1,0,0,0,0|2,0,0]=3 729 B9R1.15 c1cnc(c(n1)C#N)N TS02669 [0,1,0,0,0,0|2,0,0]=3 730 B9R1.15 c1cnc(c(n1)C=O)Cl TS66006 [0,1,0,0,0,0|2,0,0]=3 731 B9R1.15 c1cnc(c(n1)C=O)N TS85705 [0,1,0,0,0,0|2,0,0]=3 732 B9R1.15 c1cnc(c(n1)CCl)Cl TS88674 [0,1,0,0,0,0|2,0,0]=3 733 B9R1.15 c1cnc(c(n1)CN)Cl TS49175 [0,1,0,0,0,0|2,0,0]=3 734 B9R1.15 c1cnc(c(n1)CN)Cl TS86197 [0,1,0,0,0,0|2,0,0]=3 735 B9R1.15 c1cnc(c(n1)CO)Cl TS64972 [0,1,0,0,0,0|2,0,0]=3 736 B9R1.15 c1cnc(c(n1)NN)Cl TS87006 [0,1,0,0,0,0|2,0,0]=3 737 B9R1.15 c1cncc(c1Br)C#N TS09573 [0,1,0,0,0,0|3,0,0]=4 738 B9R1.15 c1cncc(c1Br)C=O TS09580 [0,1,0,0,0,0|3,0,0]=4 739 B9R1.15 c1cncc(c1Cl)C#N TS71034 [0,1,0,0,0,0|3,0,0]=4 740 B9R1.15 c1cncc(c1Cl)C=O TS09675 [0,1,0,0,0,0|3,0,0]=4 741 B9R1.15 c1cncc(c1Cl)CO TS08032 [0,1,0,0,0,0|3,0,0]=4 742 B9R1.15 c1cncc(c1F)C=O TS33163 [0,1,0,0,0,0|3,0,0]=4 743 B9R1.15 c1cncc(c1I)C#N TS52929 [0,1,0,0,0,0|3,0,0]=4 744 B9R1.15 c1cncc(c1N)C#N TS04779 [0,1,0,0,0,0|3,0,0]=4 745 B9R1.15 c1cncc(c1N)C=O TS70883 [0,1,0,0,0,0|3,0,0]=4 746 B9R1.15 c1cncc(c1N)CN TS09431 [0,1,0,0,0,0|3,0,0]=4 747 B9R1.15 c1cncc(c1N)CO TS32608 [0,1,0,0,0,0|3,0,0]=4 748 B7R0.1 CCC=CC=CC=O TS04199 [0,0,1,0,0,0|3,0,0]=4 749 B7R0.3 CCC(=CCC=C)C TS04221 [0,0,1,0,0,0|3,0,0]=4 750 B7R0.3 COC(=O)C=CC=C TS31908 [0,0,1,0,0,0|2,0,0]=3 751 B7R0.3 COC(=O)C=CC=O TS04424 [0,0,1,0,0,0|3,0,0]=4 752 B7R0.3 COC(=O)OCC=C TS94827 [0,0,1,0,0,0|3,0,0]=4 753 B9R2.50 c1ccc2c(c1)CC2 TS04044 [0,0,0,1,0,0|3,0,0]=4 754 B7R1.1 C#Cc1c[nH]nc1 TS86840 [0,0,0,0,1,0|2,0,1]=4 755 B7R1.1 C#Cc1cccs1 TS59968 [0,0,0,0,1,0|2,0,1]=4 756 B7R1.1 C#Cc1ccsc1 TS70562 [0,0,0,0,1,0|2,0,1]=4 757 B7R1.1 C=Cn1ccnc1 TS03670 [0,0,0,0,1,0|2,0,1]=4 758 B7R1.1 CCc1[nH]ccn1 TS31379 [0,0,0,0,1,0|1,0,1]=3 759 B7R1.1 CCc1cc[nH]c1 TS03698 [0,0,0,0,1,0|1,0,1]=3 760 B7R1.1 CCc1ccc[nH]1 TS03700 [0,0,0,0,1,0|1,0,1]=3 761 B7R1.1 CCc1ccco1 TS31365 [0,0,0,0,1,0|2,0,0]=3 762 B7R1.1 CCc1cccs1 TS04335 [0,0,0,0,1,0|2,0,0]=3 763 B7R1.1 CCc1ccsc1 TS04333 [0,0,0,0,1,0|2,0,0]=3 764 B7R1.1 CCc1nccs1 TS32027 [0,0,0,0,1,0|2,0,0]=3 765 B7R1.1 CCn1cccc1 TS03701 [0,0,0,0,1,0|3,0,0]=4 766 B7R1.1 CCn1cccn1 TS77180 [0,0,0,0,1,0|2,0,0]=3 767 B7R1.1 CCn1ccnc1 TS31376 [0,0,0,0,1,0|2,0,0]=3 768 B7R1.1 CCn1cncn1 TS00433 [0,0,0,0,1,0|2,0,0]=3 769 B7R1.1 CCn1cnnn1 TS03778 [0,0,0,0,1,0|3,0,0]=4 770 B7R1.1 CNc1ccn[nH]1 TS91536 [0,0,0,0,1,0|2,0,0]=3 771 B7R1.1 CNc1cnco1 TS01626 [0,0,0,0,1,0|2,0,0]=3 772 B7R1.1 CNc1cncs1 TS91086 [0,0,0,0,1,0|2,0,0]=3 773 B7R1.1 CNc1cocn1 TS01625 [0,0,0,0,1,0|2,0,0]=3 774 B7R1.1 CNc1cocn1 TS71270 [0,0,0,0,1,0|2,0,0]=3 775 B7R1.1 CNc1ncco1 TS05943 [0,0,0,0,1,0|2,0,0]=3 776 B7R1.1 COC1=NCCC1 TS03819 [0,0,0,0,1,0|0,0,3]=4 777 B7R1.1 COC1=NCCN1 TS02909 [0,0,0,0,1,0|0,0,3]=4 778 B7R1.1 COc1ccco1 TS03757 [0,0,0,0,1,0|1,0,0]=2 779 B7R1.1 COc1cccs1 TS39279 [0,0,0,0,1,0|1,0,0]=2 780 B7R1.1 COc1ccsc1 TS70649 [0,0,0,0,1,0|1,0,0]=2 781 B7R1.1 CSc1[nH]nnn1 TS04580 [0,0,0,0,1,0|2,1,0]=4 782 B7R1.1 CSc1c[nH]cn1 TS04457 [0,0,0,0,1,0|0,1,1]=3 783 B7R1.1 CSc1cccs1 TS05614 [0,0,0,0,1,0|1,1,0]=3 784 B7R1.1 CSc1ccsc1 TS05615 [0,0,0,0,1,0|1,1,0]=3 785 B7R1.1 CSc1nccs1 TS36627 [0,0,0,0,1,0|1,1,0]=3 786 B7R1.1 c1[nH]nc(n1)C#N TS55376 [0,0,0,0,1,0|3,0,0]=4 787 B7R1.1 c1[nH]nc(n1)CN TS31419 [0,0,0,0,1,0|3,0,0]=4 788 B7R1.1 c1c([nH]cn1)CO TS89152 [0,0,0,0,1,0|2,0,1]=4 789 B7R1.1 c1c(cn[nH]1)C#N TS03068 [0,0,0,0,1,0|3,0,0]=4 790 B7R1.1 c1c(cn[nH]1)C=O TS00454 [0,0,0,0,1,0|3,0,0]=4 791 B7R1.1 c1c(cn[nH]1)CCl TS60362 [0,0,0,0,1,0|3,0,0]=4 792 B7R1.1 c1c(cn[nH]1)CN TS91237 [0,0,0,0,1,0|3,0,0]=4 793 B7R1.1 c1c(cn[nH]1)CO TS91560 [0,0,0,0,1,0|3,0,0]=4 794 B7R1.1 c1c(con1)C#N TS03665 [0,0,0,0,1,0|3,0,0]=4 795 B7R1.1 c1c(con1)C=O TS03745 [0,0,0,0,1,0|3,0,0]=4 796 B7R1.1 c1c(con1)CBr TS42379 [0,0,0,0,1,0|3,0,0]=4 797 B7R1.1 c1c(con1)CCl TS32310 [0,0,0,0,1,0|3,0,0]=4 798 B7R1.1 c1c(con1)CN TS05942 [0,0,0,0,1,0|3,0,0]=4 799 B7R1.1 c1c(con1)CN TS91590 [0,0,0,0,1,0|3,0,0]=4 800 B7R1.1 c1c(con1)CO TS31465 [0,0,0,0,1,0|3,0,0]=4 801 B7R1.1 c1c(nc[nH]1)C#N TS71086 [0,0,0,0,1,0|2,0,1]=4 802 B7R1.1 c1c(nc[nH]1)C=O TS01483 [0,0,0,0,1,0|2,0,1]=4 803 B7R1.1 c1c(nc[nH]1)CCl TS10267 [0,0,0,0,1,0|2,0,1]=4 804 B7R1.1 c1c(nc[nH]1)CO TS70769 [0,0,0,0,1,0|2,0,1]=4 805 B7R1.1 c1c(nco1)C#N TS03663 [0,0,0,0,1,0|3,0,0]=4 806 B7R1.1 c1c(nco1)C=O TS71269 [0,0,0,0,1,0|3,0,0]=4 807 B7R1.1 c1c(nco1)CO TS90371 [0,0,0,0,1,0|3,0,0]=4 808 B7R1.1 c1c(ncs1)C#N TS03070 [0,0,0,0,1,0|3,0,0]=4 809 B7R1.1 c1c(ncs1)C=O TS01721 [0,0,0,0,1,0|3,0,0]=4 810 B7R1.1 c1c(ncs1)CN TS09978 [0,0,0,0,1,0|3,0,0]=4 811 B7R1.1 c1c(ncs1)CN TS88491 [0,0,0,0,1,0|3,0,0]=4 812 B7R1.1 c1c(ncs1)CO TS04539 [0,0,0,0,1,0|3,0,0]=4 813 B7R1.1 c1c(ocn1)C#N TS03664 [0,0,0,0,1,0|3,0,0]=4 814 B7R1.1 c1c(ocn1)C=O TS01172 [0,0,0,0,1,0|3,0,0]=4 815 B7R1.1 c1c(ocn1)CBr TS42378 [0,0,0,0,1,0|3,0,0]=4 816 B7R1.1 c1c(ocn1)CCl TS32309 [0,0,0,0,1,0|3,0,0]=4 817 B7R1.1 c1c(ocn1)CO TS91185 [0,0,0,0,1,0|3,0,0]=4 818 B7R1.1 c1c(scn1)C=O TS55509 [0,0,0,0,1,0|3,0,0]=4 819 B7R1.1 c1c(scn1)CO TS71321 [0,0,0,0,1,0|3,0,0]=4 820 B7R1.1 c1c[nH]cc1C#N TS02038 [0,0,0,0,1,0|2,0,1]=4 821 B7R1.1 c1c[nH]cc1C=O TS00457 [0,0,0,0,1,0|2,0,1]=4 822 B7R1.1 c1c[nH]nc1C#N TS71875 [0,0,0,0,1,0|3,0,0]=4 823 B7R1.1 c1c[nH]nc1C=O TS59363 [0,0,0,0,1,0|3,0,0]=4 824 B7R1.1 c1c[nH]nc1CO TS88889 [0,0,0,0,1,0|3,0,0]=4 825 B7R1.1 c1cc([nH]c1)C#N TS01671 [0,0,0,0,1,0|2,0,1]=4 826 B7R1.1 c1cc([nH]c1)C=O TS01672 [0,0,0,0,1,0|2,0,1]=4 827 B7R1.1 c1cc([nH]c1)CN TS31377 [0,0,0,0,1,0|2,0,1]=4 828 B7R1.1 c1cc(oc1)C#N TS71874 [0,0,0,0,1,0|3,0,0]=4 829 B7R1.1 c1cc(oc1)C=O TS03712 [0,0,0,0,1,0|3,0,0]=4 830 B7R1.1 c1cc(oc1)CN TS03749 [0,0,0,0,1,0|3,0,0]=4 831 B7R1.1 c1cc(oc1)CO TS03766 [0,0,0,0,1,0|3,0,0]=4 832 B7R1.1 c1cc(oc1)CS TS32087 [0,0,0,0,1,0|3,0,0]=4 833 B7R1.1 c1cc(sc1)C#N TS65659 [0,0,0,0,1,0|3,0,0]=4 834 B7R1.1 c1cc(sc1)C=O TS65660 [0,0,0,0,1,0|3,0,0]=4 835 B7R1.1 c1cc(sc1)CCl TS01778 [0,0,0,0,1,0|3,0,0]=4 836 B7R1.1 c1cc(sc1)CN TS65663 [0,0,0,0,1,0|3,0,0]=4 837 B7R1.1 c1cc(sc1)CO TS32088 [0,0,0,0,1,0|3,0,0]=4 838 B7R1.1 c1cc(sc1)CS TS05613 [0,0,0,0,1,0|3,0,0]=4 839 B7R1.1 c1cn(cn1)C=O TS03714 [0,0,0,0,1,0|3,0,0]=4 840 B7R1.1 c1cn(cn1)CO TS03775 [0,0,0,0,1,0|3,0,0]=4 841 B7R1.1 c1cn[nH]c1C=O TS85315 [0,0,0,0,1,0|3,0,0]=4 842 B7R1.1 c1cnc([nH]1)C#N TS87385 [0,0,0,0,1,0|2,0,1]=4 843 B7R1.1 c1cnc([nH]1)C#N TS92194 [0,0,0,0,1,0|2,0,1]=4 844 B7R1.1 c1cnc([nH]1)C=O TS77140 [0,0,0,0,1,0|2,0,1]=4 845 B7R1.1 c1cnc([nH]1)CCl TS10266 [0,0,0,0,1,0|2,0,1]=4 846 B7R1.1 c1cnc([nH]1)CN TS88455 [0,0,0,0,1,0|2,0,1]=4 847 B7R1.1 c1cnc([nH]1)CO TS03774 [0,0,0,0,1,0|2,0,1]=4 848 B7R1.1 c1cnc([nH]1)CO TS05944 [0,0,0,0,1,0|2,0,1]=4 849 B7R1.1 c1cnc([nH]1)NN TS03777 [0,0,0,0,1,0|2,0,1]=4 850 B7R1.1 c1cnn(c1)CO TS59362 [0,0,0,0,1,0|3,0,0]=4 851 B7R1.1 c1cnoc1C=O TS03746 [0,0,0,0,1,0|3,0,0]=4 852 B7R1.1 c1cnoc1CN TS01391 [0,0,0,0,1,0|3,0,0]=4 853 B7R1.1 c1cnoc1CN TS56201 [0,0,0,0,1,0|3,0,0]=4 854 B7R1.1 c1cnoc1CO TS31470 [0,0,0,0,1,0|3,0,0]=4 855 B7R1.1 c1cnsc1C=O TS04385 [0,0,0,0,1,0|3,0,0]=4 856 B7R1.1 c1coc(n1)C=O TS09404 [0,0,0,0,1,0|3,0,0]=4 857 B7R1.1 c1coc(n1)CCl TS55279 [0,0,0,0,1,0|3,0,0]=4 858 B7R1.1 c1coc(n1)CO TS89980 [0,0,0,0,1,0|3,0,0]=4 859 B7R1.1 c1cocc1C=O TS02781 [0,0,0,0,1,0|3,0,0]=4 860 B7R1.1 c1cocc1CN TS31397 [0,0,0,0,1,0|3,0,0]=4 861 B7R1.1 c1cocc1CN TS36795 [0,0,0,0,1,0|3,0,0]=4 862 B7R1.1 c1cocc1CO TS02782 [0,0,0,0,1,0|3,0,0]=4 863 B7R1.1 c1conc1C#N TS91208 [0,0,0,0,1,0|3,0,0]=4 864 B7R1.1 c1conc1C=O TS56203 [0,0,0,0,1,0|3,0,0]=4 865 B7R1.1 c1conc1CCl TS09441 [0,0,0,0,1,0|3,0,0]=4 866 B7R1.1 c1conc1CN TS03776 [0,0,0,0,1,0|3,0,0]=4 867 B7R1.1 c1conc1CO TS31471 [0,0,0,0,1,0|3,0,0]=4 868 B7R1.1 c1csc(n1)C#N TS90840 [0,0,0,0,1,0|3,0,0]=4 869 B7R1.1 c1csc(n1)C=O TS19605 [0,0,0,0,1,0|3,0,0]=4 870 B7R1.1 c1csc(n1)C=O TS65653 [0,0,0,0,1,0|3,0,0]=4 871 B7R1.1 c1csc(n1)CCl TS55280 [0,0,0,0,1,0|3,0,0]=4 872 B7R1.1 c1csc(n1)CN TS04455 [0,0,0,0,1,0|3,0,0]=4 873 B7R1.1 c1csc(n1)CN TS09110 [0,0,0,0,1,0|3,0,0]=4 874 B7R1.1 c1csc(n1)CO TS01720 [0,0,0,0,1,0|3,0,0]=4 875 B7R1.1 c1cscc1C#N TS31806 [0,0,0,0,1,0|3,0,0]=4 876 B7R1.1 c1cscc1C=O TS70719 [0,0,0,0,1,0|3,0,0]=4 877 B7R1.1 c1cscc1CBr TS65954 [0,0,0,0,1,0|3,0,0]=4 878 B7R1.1 c1cscc1CCl TS36736 [0,0,0,0,1,0|3,0,0]=4 879 B7R1.1 c1cscc1CN TS86063 [0,0,0,0,1,0|3,0,0]=4 880 B7R1.1 c1cscc1CO TS70716 [0,0,0,0,1,0|3,0,0]=4 881 B7R1.1 c1csnc1CN TS88909 [0,0,0,0,1,0|3,0,0]=4 882 B7R1.1 c1nc(no1)CCl TS04764 [0,0,0,0,1,0|3,0,0]=4 883 B7R1.1 c1nc(no1)CN TS31475 [0,0,0,0,1,0|3,0,0]=4 884 B7R1.1 c1ncn(n1)CCl TS46937 [0,0,0,0,1,0|3,0,0]=4 885 B7R1.1 c1ncn(n1)CO TS31473 [0,0,0,0,1,0|3,0,0]=4 886 B6R0.6 CC=CC=CC=O TS31368 [1,0,1,0,0,0|2,0,0]=4 887 B6R0.1 CC(=NO)C=NO TS03930 [1,0,1,0,0,0|2,0,0]=4 888 B6R0.1 CC=C(C)CC=C TS03736 [1,0,1,0,0,0|2,0,0]=4 889 B6R0.1 CC=CC(=O)OC TS56315 [1,0,1,0,0,0|1,0,1]=4 890 B6R0.1 COC(=O)C=CN TS31544 [1,0,1,0,0,0|1,0,1]=4 891 B6R0.1 COC(=O)CC=C TS31502 [1,0,1,0,0,0|1,0,1]=4 892 B6R0.4 C=CC=CC(=O)O TS03760 [1,0,1,0,0,0|2,0,0]=4 893 B6R0.4 CC(=CCC=C)C TS03719 [1,0,1,0,0,0|2,0,0]=4 894 B6R1.1 c1cc[nH+]cc1 TS05076 [2,0,0,0,0,0|1,0,1]=4 895 B6R1.1 c1cc[nH+]cc1 TS06368 [2,0,0,0,0,0|1,0,1]=4 896 B6R1.1 c1cc[nH+]cc1 TS18771 [2,0,0,0,0,0|1,0,1]=4 897 B6R1.1 c1cc[nH+]cc1 TS39933 [2,0,0,0,0,0|1,0,1]=4 898 B6R1.1 c1cc[nH+]cc1 TS77092 [2,0,0,0,0,0|1,0,1]=4 899 B6R1.1 c1ccccc1 TS03437 [2,0,0,0,0,0|2,0,0]=4 900 B6R1.1 c1ccccc1 TS34696 [2,0,0,0,0,0|2,0,0]=4 901 B6R1.1 c1ccccc1 TS83230 [2,0,0,0,0,0|2,0,0]=4 902 B6R1.1 c1ccncc1 TS03813 [2,0,0,0,0,0|1,0,0]=3 903 B6R1.1 c1ccncc1 TS13697 [2,0,0,0,0,0|1,0,0]=3 904 B6R1.1 c1ccncc1 TS26725 [2,0,0,0,0,0|1,0,0]=3 905 B6R1.1 c1ccncc1 TS39930 [2,0,0,0,0,0|1,0,0]=3 906 B6R1.1 c1ccncc1 TS42102 [2,0,0,0,0,0|1,0,0]=3 907 B6R1.1 c1ccncc1 TS59378 [2,0,0,0,0,0|1,0,0]=3 908 B6R1.1 c1ccncc1 TS71658 [2,0,0,0,0,0|1,0,0]=3 909 B6R1.1 c1ccncc1 TS78229 [2,0,0,0,0,0|1,0,0]=3 910 B6R1.1 c1ccncc1 TS80042 [2,0,0,0,0,0|1,0,0]=3 911 B6R1.1 c1ccnnc1 TS00218 [2,0,0,0,0,0|2,0,0]=4 912 B6R1.1 c1cnccn1 TS09080 [2,0,0,0,0,0|0,0,0]=2 913 B6R1.1 c1cncnc1 TS71665 [2,0,0,0,0,0|2,0,0]=4 914 B8R0.6 CC=CC=CC(=O)OC TS05163 [0,1,1,0,0,0|2,0,0]=4 915 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [1,1,0,0,0,0|1,0,1]=4 916 B8R1.3 Cc1ccc(=O)[nH]n1 TS88402 [1,1,0,0,0,0|2,0,0]=4 917 B8R1.3 Cc1ccc(cc1)Br TS09620 [1,1,0,0,0,0|2,0,0]=4 918 B8R1.3 Cc1ccc(cc1)C TS04096 [1,1,0,0,0,0|2,0,0]=4 919 B8R1.3 Cc1ccc(cc1)C TS77016 [1,1,0,0,0,0|2,0,0]=4 920 B8R1.3 Cc1ccc(cc1)Cl TS39593 [1,1,0,0,0,0|2,0,0]=4 921 B8R1.3 Cc1ccc(cc1)F TS31829 [1,1,0,0,0,0|2,0,0]=4 922 B8R1.3 Cc1ccc(cc1)I TS07804 [1,1,0,0,0,0|2,0,0]=4 923 B8R1.3 Cc1ccc(cc1)I TS67797 [1,1,0,0,0,0|2,0,0]=4 924 B8R1.3 Cc1ccc(cc1)N TS04112 [1,1,0,0,0,0|2,0,0]=4 925 B8R1.3 Cc1ccc(cc1)N TS40127 [1,1,0,0,0,0|2,0,0]=4 926 B8R1.3 Cc1ccc(cc1)O TS05157 [1,1,0,0,0,0|2,0,0]=4 927 B8R1.3 Cc1ccc(cc1)O TS94395 [1,1,0,0,0,0|2,0,0]=4 928 B8R1.3 Cc1ccc(cc1)P TS32593 [1,1,0,0,0,0|2,0,0]=4 929 B8R1.3 Cc1ccc(cc1)S TS39763 [1,1,0,0,0,0|2,0,0]=4 930 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [1,1,0,0,0,0|2,0,0]=4 931 B8R1.3 Cc1ccc(cn1)Br TS09799 [1,1,0,0,0,0|1,0,0]=3 932 B8R1.3 Cc1ccc(cn1)Cl TS71507 [1,1,0,0,0,0|1,0,0]=3 933 B8R1.3 Cc1ccc(cn1)F TS03302 [1,1,0,0,0,0|1,0,0]=3 934 B8R1.3 Cc1ccc(cn1)I TS71574 [1,1,0,0,0,0|1,0,0]=3 935 B8R1.3 Cc1ccc(cn1)N TS65872 [1,1,0,0,0,0|1,0,0]=3 936 B8R1.3 Cc1ccc(cn1)O TS71569 [1,1,0,0,0,0|1,0,0]=3 937 B8R1.3 Cc1ccc(nc1)Br TS55127 [1,1,0,0,0,0|1,0,0]=3 938 B8R1.3 Cc1ccc(nc1)C TS47280 [1,1,0,0,0,0|1,0,0]=3 939 B8R1.3 Cc1ccc(nc1)Cl TS00914 [1,1,0,0,0,0|1,0,0]=3 940 B8R1.3 Cc1ccc(nc1)F TS01010 [1,1,0,0,0,0|1,0,0]=3 941 B8R1.3 Cc1ccc(nc1)N TS07049 [1,1,0,0,0,0|1,0,0]=3 942 B8R1.3 Cc1ccc(nc1)N TS47444 [1,1,0,0,0,0|1,0,0]=3 943 B8R1.3 Cc1ccc(nc1)O TS01053 [1,1,0,0,0,0|1,0,0]=3 944 B8R1.3 Cc1ccc(nc1)S TS05105 [1,1,0,0,0,0|1,0,0]=3 945 B8R1.3 Cc1ccc(nn1)Br TS89616 [1,1,0,0,0,0|2,0,0]=4 946 B8R1.3 Cc1ccc(nn1)C TS94711 [1,1,0,0,0,0|2,0,0]=4 947 B8R1.3 Cc1ccc(nn1)Cl TS02708 [1,1,0,0,0,0|2,0,0]=4 948 B8R1.3 Cc1ccc(nn1)I TS85912 [1,1,0,0,0,0|2,0,0]=4 949 B8R1.3 Cc1ccc(nn1)N TS91497 [1,1,0,0,0,0|2,0,0]=4 950 B8R1.3 Cc1cnc(cn1)Br TS89981 [1,1,0,0,0,0|0,0,0]=2 951 B8R1.3 Cc1cnc(cn1)C TS47279 [1,1,0,0,0,0|0,0,0]=2 952 B8R1.3 Cc1cnc(cn1)N TS47443 [1,1,0,0,0,0|0,0,0]=2 953 B8R1.3 Cc1cnc(nc1)Cl TS00915 [1,1,0,0,0,0|2,0,0]=4 954 B8R1.3 Cc1cnc(nc1)N TS47445 [1,1,0,0,0,0|2,0,0]=4 955 B8R1.3 Cc1ncc(cn1)Br TS87704 [1,1,0,0,0,0|2,0,0]=4 956 B8R1.3 Cc1ncc(cn1)N TS03220 [1,1,0,0,0,0|2,0,0]=4 957 B8R1.3 Cc1ncc(cn1)O TS02449 [1,1,0,0,0,0|2,0,0]=4 958 B8R1.3 c1c(cnc(n1)Br)O TS90862 [1,1,0,0,0,0|2,0,0]=4 959 B8R1.3 c1c(cnc(n1)Cl)O TS55250 [1,1,0,0,0,0|2,0,0]=4 960 B8R1.3 c1c(cnc(n1)N)O TS00791 [1,1,0,0,0,0|2,0,0]=4 961 B8R1.3 c1c(cnc(n1)O)Br TS09782 [1,1,0,0,0,0|2,0,0]=4 962 B8R1.3 c1c(cnc(n1)O)Br TS94911 [1,1,0,0,0,0|2,0,0]=4 963 B8R1.3 c1c(cnc(n1)O)Cl TS71497 [1,1,0,0,0,0|2,0,0]=4 964 B8R1.3 c1c(ncc(n1)Br)Br TS47250 [1,1,0,0,0,0|1,0,0]=3 965 B8R1.3 c1c(ncc(n1)Br)Cl TS89584 [1,1,0,0,0,0|1,0,0]=3 966 B8R1.3 c1c(ncc(n1)Br)N TS47430 [1,1,0,0,0,0|1,0,0]=3 967 B8R1.3 c1c(ncc(n1)Br)O TS08345 [1,1,0,0,0,0|0,0,0]=2 968 B8R1.3 c1c(ncc(n1)Cl)Cl TS00665 [1,1,0,0,0,0|1,0,0]=3 969 B8R1.3 c1c(ncc(n1)Cl)N TS00777 [1,1,0,0,0,0|1,0,0]=3 970 B8R1.3 c1c(ncc(n1)Cl)O TS71495 [1,1,0,0,0,0|0,0,0]=2 971 B8R1.3 c1c(ncc(n1)I)Br TS89956 [1,1,0,0,0,0|1,0,0]=3 972 B8R1.3 c1c(nnc(n1)N)Br TS45894 [1,1,0,0,0,0|2,0,0]=4 973 B8R1.3 c1cc(ccc1N)O TS07145 [1,1,0,0,0,0|2,0,0]=4 974 B8R1.3 c1cc(ccc1N)O TS59709 [1,1,0,0,0,0|2,0,0]=4 975 B8R1.3 c1cc(ccc1O)Cl TS36377 [1,1,0,0,0,0|2,0,0]=4 976 B8R1.3 c1cc(ccc1O)Cl TS40947 [1,1,0,0,0,0|2,0,0]=4 977 B8R1.3 c1cc(ccc1O)F TS33165 [1,1,0,0,0,0|2,0,0]=4 978 B8R1.3 c1cc(ccc1O)I TS59518 [1,1,0,0,0,0|2,0,0]=4 979 B8R1.3 c1cc(ccc1O)O TS01676 [1,1,0,0,0,0|2,0,0]=4 980 B8R1.3 c1cc(ccc1O)O TS02292 [1,1,0,0,0,0|2,0,0]=4 981 B8R1.3 c1cc(ccc1O)O TS24537 [1,1,0,0,0,0|2,0,0]=4 982 B8R1.3 c1cc(ccc1O)S TS36138 [1,1,0,0,0,0|2,0,0]=4 983 B8R1.3 c1cc(ncc1Br)Br TS25985 [1,1,0,0,0,0|2,0,0]=4 984 B8R1.3 c1cc(ncc1Br)Cl TS71413 [1,1,0,0,0,0|2,0,0]=4 985 B8R1.3 c1cc(ncc1Br)F TS71426 [1,1,0,0,0,0|2,0,0]=4 986 B8R1.3 c1cc(ncc1Br)I TS09786 [1,1,0,0,0,0|2,0,0]=4 987 B8R1.3 c1cc(ncc1Br)N TS47431 [1,1,0,0,0,0|2,0,0]=4 988 B8R1.3 c1cc(ncc1Br)N TS90623 [1,1,0,0,0,0|2,0,0]=4 989 B8R1.3 c1cc(ncc1Br)O TS09781 [1,1,0,0,0,0|1,0,0]=3 990 B8R1.3 c1cc(ncc1Cl)Br TS55123 [1,1,0,0,0,0|2,0,0]=4 991 B8R1.3 c1cc(ncc1Cl)Cl TS00666 [1,1,0,0,0,0|2,0,0]=4 992 B8R1.3 c1cc(ncc1Cl)F TS71487 [1,1,0,0,0,0|2,0,0]=4 993 B8R1.3 c1cc(ncc1Cl)I TS71498 [1,1,0,0,0,0|2,0,0]=4 994 B8R1.3 c1cc(ncc1Cl)N TS00778 [1,1,0,0,0,0|2,0,0]=4 995 B8R1.3 c1cc(ncc1Cl)O TS71496 [1,1,0,0,0,0|1,0,0]=3 996 B8R1.3 c1cc(ncc1F)Br TS08342 [1,1,0,0,0,0|2,0,0]=4 997 B8R1.3 c1cc(ncc1F)Cl TS85452 [1,1,0,0,0,0|2,0,0]=4 998 B8R1.3 c1cc(ncc1F)F TS47260 [1,1,0,0,0,0|2,0,0]=4 999 B8R1.3 c1cc(ncc1F)I TS50245 [1,1,0,0,0,0|2,0,0]=4 1000 B8R1.3 c1cc(ncc1F)N TS00788 [1,1,0,0,0,0|2,0,0]=4 1001 B8R1.3 c1cc(ncc1F)N TS85448 [1,1,0,0,0,0|2,0,0]=4 1002 B8R1.3 c1cc(ncc1F)O TS71538 [1,1,0,0,0,0|1,0,0]=3 1003 B8R1.3 c1cc(ncc1I)Br TS08347 [1,1,0,0,0,0|2,0,0]=4 1004 B8R1.3 c1cc(ncc1I)Cl TS55251 [1,1,0,0,0,0|2,0,0]=4 1005 B8R1.3 c1cc(ncc1I)F TS85441 [1,1,0,0,0,0|2,0,0]=4 1006 B8R1.3 c1cc(ncc1I)I TS59927 [1,1,0,0,0,0|2,0,0]=4 1007 B8R1.3 c1cc(ncc1I)N TS47435 [1,1,0,0,0,0|2,0,0]=4 1008 B8R1.3 c1cc(ncc1I)O TS60294 [1,1,0,0,0,0|1,0,0]=3 1009 B8R1.3 c1cc(ncc1N)Br TS65865 [1,1,0,0,0,0|2,0,0]=4 1010 B8R1.3 c1cc(ncc1N)Cl TS71356 [1,1,0,0,0,0|2,0,0]=4 1011 B8R1.3 c1cc(ncc1N)F TS01234 [1,1,0,0,0,0|2,0,0]=4 1012 B8R1.3 c1cc(ncc1N)I TS71363 [1,1,0,0,0,0|2,0,0]=4 1013 B8R1.3 c1cc(ncc1N)N TS47239 [1,1,0,0,0,0|2,0,0]=4 1014 B8R1.3 c1cc(ncc1N)N TS47240 [1,1,0,0,0,0|2,0,0]=4 1015 B8R1.3 c1cc(ncc1N)O TS07283 [1,1,0,0,0,0|1,0,0]=3 1016 B8R1.3 c1cc(ncc1N)O TS71362 [1,1,0,0,0,0|1,0,0]=3 1017 B8R1.3 c1cc(ncc1O)Br TS08346 [1,1,0,0,0,0|1,0,0]=3 1018 B8R1.3 c1cc(ncc1O)Cl TS55249 [1,1,0,0,0,0|1,0,0]=3 1019 B8R1.3 c1cc(ncc1O)F TS01000 [1,1,0,0,0,0|1,0,0]=3 1020 B8R1.3 c1cc(ncc1O)I TS23214 [1,1,0,0,0,0|1,0,0]=3 1021 B8R1.3 c1cc(ncc1O)N TS00790 [1,1,0,0,0,0|1,0,0]=3 1022 B8R1.3 c1cc(ncc1O)O TS47263 [1,1,0,0,0,0|1,0,0]=3 1023 B8R1.3 c1cc(nnc1O)Cl TS36566 [1,1,0,0,0,0|2,0,0]=4 1024 B8R1.3 c1cc(nnc1O)O TS93162 [1,1,0,0,0,0|2,0,0]=4 1025 B8R1.4 CC1=CCC=C(C1)C TS04144 [1,1,0,0,0,0|2,0,0]=4 1026 B8R1.4 Cc1cc(=O)[nH]nc1 TS31816 [1,1,0,0,0,0|2,0,0]=4 1027 B8R1.4 Cc1cc(ccn1)Br TS20656 [1,1,0,0,0,0|1,0,0]=3 1028 B8R1.4 Cc1cc(ccn1)Br TS85446 [1,1,0,0,0,0|1,0,0]=3 1029 B8R1.4 Cc1cc(ccn1)Cl TS42660 [1,1,0,0,0,0|1,0,0]=3 1030 B8R1.4 Cc1cc(ccn1)Cl TS71029 [1,1,0,0,0,0|1,0,0]=3 1031 B8R1.4 Cc1cc(ccn1)F TS04247 [1,1,0,0,0,0|1,0,0]=3 1032 B8R1.4 Cc1cc(ccn1)I TS22520 [1,1,0,0,0,0|1,0,0]=3 1033 B8R1.4 Cc1cc(ccn1)N TS93456 [1,1,0,0,0,0|1,0,0]=3 1034 B8R1.4 Cc1cc(ccn1)O TS03105 [1,1,0,0,0,0|1,0,0]=3 1035 B8R1.4 Cc1cc(cnc1)Br TS65935 [1,1,0,0,0,0|1,0,0]=3 1036 B8R1.4 Cc1cc(cnc1)C TS31757 [1,1,0,0,0,0|1,0,0]=3 1037 B8R1.4 Cc1cc(cnc1)Cl TS66000 [1,1,0,0,0,0|1,0,0]=3 1038 B8R1.4 Cc1cc(cnc1)F TS70587 [1,1,0,0,0,0|1,0,0]=3 1039 B8R1.4 Cc1cc(cnc1)N TS02653 [1,1,0,0,0,0|1,0,0]=3 1040 B8R1.4 Cc1cc(cnc1)O TS70616 [1,1,0,0,0,0|1,0,0]=3 1041 B8R1.4 Cc1cc(ncn1)C TS02936 [1,1,0,0,0,0|2,0,0]=4 1042 B8R1.4 Cc1cc(ncn1)Cl TS03167 [1,1,0,0,0,0|2,0,0]=4 1043 B8R1.4 Cc1cc(ncn1)N TS86037 [1,1,0,0,0,0|2,0,0]=4 1044 B8R1.4 Cc1cc(ncn1)O TS71161 [1,1,0,0,0,0|2,0,0]=4 1045 B8R1.4 Cc1cc(nnc1)Cl TS00181 [1,1,0,0,0,0|2,0,0]=4 1046 B8R1.4 Cc1cc[nH]c(=O)n1 TS87771 [1,1,0,0,0,0|2,0,0]=4 1047 B8R1.4 Cc1cccc(c1)Br TS39711 [1,1,0,0,0,0|2,0,0]=4 1048 B8R1.4 Cc1cccc(c1)C TS04101 [1,1,0,0,0,0|2,0,0]=4 1049 B8R1.4 Cc1cccc(c1)Cl TS36194 [1,1,0,0,0,0|2,0,0]=4 1050 B8R1.4 Cc1cccc(c1)F TS31827 [1,1,0,0,0,0|2,0,0]=4 1051 B8R1.4 Cc1cccc(c1)I TS49342 [1,1,0,0,0,0|2,0,0]=4 1052 B8R1.4 Cc1cccc(c1)N TS04111 [1,1,0,0,0,0|2,0,0]=4 1053 B8R1.4 Cc1cccc(c1)N TS40126 [1,1,0,0,0,0|2,0,0]=4 1054 B8R1.4 Cc1cccc(c1)O TS31767 [1,1,0,0,0,0|2,0,0]=4 1055 B8R1.4 Cc1cccc(c1)S TS05038 [1,1,0,0,0,0|2,0,0]=4 1056 B8R1.4 Cc1cccc(n1)Br TS08371 [1,1,0,0,0,0|1,0,0]=3 1057 B8R1.4 Cc1cccc(n1)Br TS94756 [1,1,0,0,0,0|1,0,0]=3 1058 B8R1.4 Cc1cccc(n1)C TS60248 [1,1,0,0,0,0|1,0,0]=3 1059 B8R1.4 Cc1cccc(n1)Cl TS00936 [1,1,0,0,0,0|1,0,0]=3 1060 B8R1.4 Cc1cccc(n1)F TS55370 [1,1,0,0,0,0|1,0,0]=3 1061 B8R1.4 Cc1cccc(n1)I TS59623 [1,1,0,0,0,0|1,0,0]=3 1062 B8R1.4 Cc1cccc(n1)N TS47459 [1,1,0,0,0,0|1,0,0]=3 1063 B8R1.4 Cc1cccc(n1)O TS01270 [1,1,0,0,0,0|1,0,0]=3 1064 B8R1.4 Cc1cccc(n1)S TS05106 [1,1,0,0,0,0|1,0,0]=3 1065 B8R1.4 Cc1cccn(=O)c1 TS02882 [1,1,0,0,0,0|1,0,1]=4 1066 B8R1.4 Cc1ccnc(c1)Br TS08333 [1,1,0,0,0,0|2,0,0]=4 1067 B8R1.4 Cc1ccnc(c1)C TS07700 [1,1,0,0,0,0|1,0,0]=3 1068 B8R1.4 Cc1ccnc(c1)Cl TS55236 [1,1,0,0,0,0|2,0,0]=4 1069 B8R1.4 Cc1ccnc(c1)F TS85429 [1,1,0,0,0,0|2,0,0]=4 1070 B8R1.4 Cc1ccnc(c1)I TS33096 [1,1,0,0,0,0|2,0,0]=4 1071 B8R1.4 Cc1ccnc(c1)O TS01045 [1,1,0,0,0,0|1,0,0]=3 1072 B8R1.4 Cc1ccnc(n1)Br TS08334 [1,1,0,0,0,0|2,0,0]=4 1073 B8R1.4 Cc1ccnc(n1)Cl TS00889 [1,1,0,0,0,0|2,0,0]=4 1074 B8R1.4 Cc1ccnc(n1)N TS47413 [1,1,0,0,0,0|2,0,0]=4 1075 B8R1.4 Cc1ccnc(n1)O TS01046 [1,1,0,0,0,0|2,0,0]=4 1076 B8R1.4 Cc1ccnc(n1)S TS36140 [1,1,0,0,0,0|2,0,0]=4 1077 B8R1.4 Cc1cncc(n1)Br TS08370 [1,1,0,0,0,0|0,0,0]=2 1078 B8R1.4 Cc1cncc(n1)C TS31775 [1,1,0,0,0,0|0,0,0]=2 1079 B8R1.4 Cc1cncc(n1)Cl TS00934 [1,1,0,0,0,0|0,0,0]=2 1080 B8R1.4 Cc1cncc(n1)N TS01269 [1,1,0,0,0,0|0,0,0]=2 1081 B8R1.4 Cc1cncc(n1)O TS01059 [1,1,0,0,0,0|0,0,0]=2 1082 B8R1.4 Cc1nccc(n1)Cl TS71022 [1,1,0,0,0,0|2,0,0]=4 1083 B8R1.4 Cc1nccc(n1)O TS03106 [1,1,0,0,0,0|2,0,0]=4 1084 B8R1.4 c1c(cncc1Br)Br TS02580 [1,1,0,0,0,0|2,0,0]=4 1085 B8R1.4 c1c(cncc1Br)Cl TS85436 [1,1,0,0,0,0|2,0,0]=4 1086 B8R1.4 c1c(cncc1Br)F TS16987 [1,1,0,0,0,0|2,0,0]=4 1087 B8R1.4 c1c(cncc1Br)N TS09813 [1,1,0,0,0,0|2,0,0]=4 1088 B8R1.4 c1c(cncc1Br)O TS65929 [1,1,0,0,0,0|1,0,0]=3 1089 B8R1.4 c1c(cncc1Cl)Cl TS65794 [1,1,0,0,0,0|2,0,0]=4 1090 B8R1.4 c1c(cncc1Cl)F TS65996 [1,1,0,0,0,0|2,0,0]=4 1091 B8R1.4 c1c(cncc1Cl)N TS02649 [1,1,0,0,0,0|2,0,0]=4 1092 B8R1.4 c1c(cncc1Cl)O TS03267 [1,1,0,0,0,0|1,0,0]=3 1093 B8R1.4 c1c(cncc1F)N TS16742 [1,1,0,0,0,0|2,0,0]=4 1094 B8R1.4 c1c(cncc1F)N TS85434 [1,1,0,0,0,0|2,0,0]=4 1095 B8R1.4 c1c(cncc1F)O TS70584 [1,1,0,0,0,0|1,0,0]=3 1096 B8R1.4 c1c(cncc1I)Br TS65930 [1,1,0,0,0,0|2,0,0]=4 1097 B8R1.4 c1c(cncc1I)Cl TS57281 [1,1,0,0,0,0|2,0,0]=4 1098 B8R1.4 c1c(cncc1I)F TS50246 [1,1,0,0,0,0|2,0,0]=4 1099 B8R1.4 c1c(cncc1I)I TS87998 [1,1,0,0,0,0|2,0,0]=4 1100 B8R1.4 c1c(cncc1I)N TS02651 [1,1,0,0,0,0|2,0,0]=4 1101 B8R1.4 c1c(cncc1N)N TS02192 [1,1,0,0,0,0|2,0,0]=4 1102 B8R1.4 c1c(cncc1O)N TS31814 [1,1,0,0,0,0|1,0,0]=3 1103 B8R1.4 c1c(cncc1O)O TS02592 [1,1,0,0,0,0|1,0,0]=3 1104 B8R1.4 c1c(nc(=O)[nH]n1)N TS04280 [1,1,0,0,0,0|1,0,1]=4 1105 B8R1.4 c1c(nc(cn1)Br)Cl TS85131 [1,1,0,0,0,0|1,0,0]=3 1106 B8R1.4 c1c(nc(cn1)Br)F TS13949 [1,1,0,0,0,0|1,0,0]=3 1107 B8R1.4 c1c(nc(cn1)Cl)Cl TS34637 [1,1,0,0,0,0|1,0,0]=3 1108 B8R1.4 c1c(nc(cn1)Cl)N TS00803 [1,1,0,0,0,0|1,0,0]=3 1109 B8R1.4 c1c(ncnc1Cl)O TS08422 [1,1,0,0,0,0|2,0,0]=4 1110 B8R1.4 c1c(ncnc1O)O TS70839 [1,1,0,0,0,0|2,0,0]=4 1111 B8R1.4 c1cc(cc(c1)Br)O TS65958 [1,1,0,0,0,0|2,0,0]=4 1112 B8R1.4 c1cc(cc(c1)Cl)O TS02721 [1,1,0,0,0,0|2,0,0]=4 1113 B8R1.4 c1cc(cc(c1)F)O TS70601 [1,1,0,0,0,0|2,0,0]=4 1114 B8R1.4 c1cc(cc(c1)I)O TS49693 [1,1,0,0,0,0|2,0,0]=4 1115 B8R1.4 c1cc(cc(c1)O)N TS07147 [1,1,0,0,0,0|2,0,0]=4 1116 B8R1.4 c1cc(cc(c1)O)N TS39704 [1,1,0,0,0,0|2,0,0]=4 1117 B8R1.4 c1cc(cc(c1)O)O TS04191 [1,1,0,0,0,0|2,0,0]=4 1118 B8R1.4 c1cc(cc(c1)S)O TS00159 [1,1,0,0,0,0|2,0,0]=4 1119 B8R1.4 c1cc(cn(=O)c1)O TS04234 [1,1,0,0,0,0|1,0,1]=4 1120 B8R1.4 c1cc(nc(c1)Br)Br TS00699 [1,1,0,0,0,0|2,0,0]=4 1121 B8R1.4 c1cc(nc(c1)Br)Cl TS55142 [1,1,0,0,0,0|2,0,0]=4 1122 B8R1.4 c1cc(nc(c1)Br)F TS08361 [1,1,0,0,0,0|2,0,0]=4 1123 B8R1.4 c1cc(nc(c1)Br)N TS00798 [1,1,0,0,0,0|2,0,0]=4 1124 B8R1.4 c1cc(nc(c1)Br)O TS08364 [1,1,0,0,0,0|1,0,0]=3 1125 B8R1.4 c1cc(nc(c1)Cl)Cl TS34640 [1,1,0,0,0,0|2,0,0]=4 1126 B8R1.4 c1cc(nc(c1)Cl)F TS55260 [1,1,0,0,0,0|2,0,0]=4 1127 B8R1.4 c1cc(nc(c1)Cl)N TS00804 [1,1,0,0,0,0|2,0,0]=4 1128 B8R1.4 c1cc(nc(c1)Cl)O TS55264 [1,1,0,0,0,0|1,0,0]=3 1129 B8R1.4 c1cc(nc(c1)F)F TS47310 [1,1,0,0,0,0|2,0,0]=4 1130 B8R1.4 c1cc(nc(c1)F)N TS00806 [1,1,0,0,0,0|2,0,0]=4 1131 B8R1.4 c1cc(nc(c1)F)O TS32004 [1,1,0,0,0,0|1,0,0]=3 1132 B8R1.4 c1cc(nc(c1)I)Br TS54680 [1,1,0,0,0,0|2,0,0]=4 1133 B8R1.4 c1cc(nc(c1)I)Cl TS57280 [1,1,0,0,0,0|2,0,0]=4 1134 B8R1.4 c1cc(nc(c1)I)I TS07928 [1,1,0,0,0,0|2,0,0]=4 1135 B8R1.4 c1cc(nc(c1)I)N TS39789 [1,1,0,0,0,0|2,0,0]=4 1136 B8R1.4 c1cc(nc(c1)N)N TS00686 [1,1,0,0,0,0|2,0,0]=4 1137 B8R1.4 c1cc(nc(c1)N)N TS20354 [1,1,0,0,0,0|2,0,0]=4 1138 B8R1.4 c1cc(nc(c1)O)N TS00808 [1,1,0,0,0,0|1,0,0]=3 1139 B8R1.4 c1cc(nc(c1)O)O TS07388 [1,1,0,0,0,0|1,0,0]=3 1140 B8R1.4 c1cc(nc(c1)O)O TS47313 [1,1,0,0,0,0|1,0,0]=3 1141 B8R1.4 c1cc(nc(c1)S)S TS06879 [1,1,0,0,0,0|1,1,0]=4 1142 B8R1.4 c1cnc(cc1Br)Br TS47198 [1,1,0,0,0,0|2,0,0]=4 1143 B8R1.4 c1cnc(cc1Br)Cl TS85435 [1,1,0,0,0,0|2,0,0]=4 1144 B8R1.4 c1cnc(cc1Br)F TS16945 [1,1,0,0,0,0|2,0,0]=4 1145 B8R1.4 c1cnc(cc1Br)I TS54678 [1,1,0,0,0,0|2,0,0]=4 1146 B8R1.4 c1cnc(cc1Br)N TS47392 [1,1,0,0,0,0|2,0,0]=4 1147 B8R1.4 c1cnc(cc1Br)O TS70957 [1,1,0,0,0,0|1,0,0]=3 1148 B8R1.4 c1cnc(cc1Cl)Br TS55100 [1,1,0,0,0,0|2,0,0]=4 1149 B8R1.4 c1cnc(cc1Cl)Cl TS00617 [1,1,0,0,0,0|2,0,0]=4 1150 B8R1.4 c1cnc(cc1Cl)Cl TS85445 [1,1,0,0,0,0|2,0,0]=4 1151 B8R1.4 c1cnc(cc1Cl)F TS03044 [1,1,0,0,0,0|2,0,0]=4 1152 B8R1.4 c1cnc(cc1Cl)N TS00747 [1,1,0,0,0,0|2,0,0]=4 1153 B8R1.4 c1cnc(cc1Cl)O TS03047 [1,1,0,0,0,0|1,0,0]=3 1154 B8R1.4 c1cnc(cc1F)Br TS08322 [1,1,0,0,0,0|2,0,0]=4 1155 B8R1.4 c1cnc(cc1F)Cl TS55216 [1,1,0,0,0,0|2,0,0]=4 1156 B8R1.4 c1cnc(cc1F)F TS47221 [1,1,0,0,0,0|2,0,0]=4 1157 B8R1.4 c1cnc(cc1F)N TS00754 [1,1,0,0,0,0|2,0,0]=4 1158 B8R1.4 c1cnc(cc1F)O TS32002 [1,1,0,0,0,0|1,0,0]=3 1159 B8R1.4 c1cnc(cc1I)Br TS08326 [1,1,0,0,0,0|2,0,0]=4 1160 B8R1.4 c1cnc(cc1I)Cl TS55222 [1,1,0,0,0,0|2,0,0]=4 1161 B8R1.4 c1cnc(cc1I)F TS08421 [1,1,0,0,0,0|2,0,0]=4 1162 B8R1.4 c1cnc(cc1I)I TS63698 [1,1,0,0,0,0|2,0,0]=4 1163 B8R1.4 c1cnc(cc1I)N TS49694 [1,1,0,0,0,0|2,0,0]=4 1164 B8R1.4 c1cnc(cc1N)Br TS70872 [1,1,0,0,0,0|2,0,0]=4 1165 B8R1.4 c1cnc(cc1N)Cl TS75450 [1,1,0,0,0,0|2,0,0]=4 1166 B8R1.4 c1cnc(cc1N)Cl TS89130 [1,1,0,0,0,0|2,0,0]=4 1167 B8R1.4 c1cnc(cc1N)F TS01037 [1,1,0,0,0,0|2,0,0]=4 1168 B8R1.4 c1cnc(cc1N)N TS59371 [1,1,0,0,0,0|2,0,0]=4 1169 B8R1.4 c1cnc(cc1N)O TS02965 [1,1,0,0,0,0|1,0,0]=3 1170 B8R1.4 c1cnc(cc1N)O TS86931 [1,1,0,0,0,0|1,0,0]=3 1171 B8R1.4 c1cnc(cc1O)Br TS08324 [1,1,0,0,0,0|2,0,0]=4 1172 B8R1.4 c1cnc(cc1O)Cl TS55220 [1,1,0,0,0,0|2,0,0]=4 1173 B8R1.4 c1cnc(cc1O)F TS32003 [1,1,0,0,0,0|2,0,0]=4 1174 B8R1.4 c1cnc(cc1O)N TS47399 [1,1,0,0,0,0|2,0,0]=4 1175 B8R1.4 c1cnc(cc1O)O TS04243 [1,1,0,0,0,0|1,0,0]=3 1176 B8R1.4 c1cnc(nc1O)N TS04245 [1,1,0,0,0,0|2,0,0]=4 1177 B8R1.4 c1cnc(nc1O)O TS39605 [1,1,0,0,0,0|2,0,0]=4 1178 B8R1.5 Cc1c(cccn1)Br TS65908 [1,1,0,0,0,0|1,0,0]=3 1179 B8R1.5 Cc1c(cccn1)Cl TS65978 [1,1,0,0,0,0|1,0,0]=3 1180 B8R1.5 Cc1c(cccn1)F TS70573 [1,1,0,0,0,0|1,0,0]=3 1181 B8R1.5 Cc1c(cccn1)I TS02809 [1,1,0,0,0,0|1,0,0]=3 1182 B8R1.5 Cc1c(cccn1)N TS31778 [1,1,0,0,0,0|1,0,0]=3 1183 B8R1.5 Cc1c(cccn1)O TS87617 [1,1,0,0,0,0|1,0,0]=3 1184 B8R1.5 Cc1c(cncn1)Br TS17002 [1,1,0,0,0,0|2,0,0]=4 1185 B8R1.5 Cc1c(cncn1)N TS03237 [1,1,0,0,0,0|2,0,0]=4 1186 B8R1.5 Cc1c(nccn1)Br TS08309 [1,1,0,0,0,0|0,0,0]=2 1187 B8R1.5 Cc1c(nccn1)C TS47169 [1,1,0,0,0,0|0,0,0]=2 1188 B8R1.5 Cc1c(nccn1)Cl TS55202 [1,1,0,0,0,0|0,0,0]=2 1189 B8R1.5 Cc1c(nccn1)I TS89593 [1,1,0,0,0,0|0,0,0]=2 1190 B8R1.5 Cc1c(nccn1)N TS00719 [1,1,0,0,0,0|0,0,0]=2 1191 B8R1.5 Cc1c(nccn1)O TS55386 [1,1,0,0,0,0|0,0,0]=2 1192 B8R1.5 Cc1ccc[nH]c1=O TS55401 [1,1,0,0,0,0|1,0,1]=4 1193 B8R1.5 Cc1cccc[n+]1C TS25681 [1,1,0,0,0,0|1,0,1]=4 1194 B8R1.5 Cc1ccccc1Br TS00024 [1,1,0,0,0,0|2,0,0]=4 1195 B8R1.5 Cc1ccccc1C TS04099 [1,1,0,0,0,0|2,0,0]=4 1196 B8R1.5 Cc1ccccc1Cl TS36192 [1,1,0,0,0,0|2,0,0]=4 1197 B8R1.5 Cc1ccccc1F TS31828 [1,1,0,0,0,0|2,0,0]=4 1198 B8R1.5 Cc1ccccc1I TS49343 [1,1,0,0,0,0|2,0,0]=4 1199 B8R1.5 Cc1ccccc1N TS40130 [1,1,0,0,0,0|2,0,0]=4 1200 B8R1.5 Cc1ccccc1N TS46845 [1,1,0,0,0,0|2,0,0]=4 1201 B8R1.5 Cc1ccccc1O TS31768 [1,1,0,0,0,0|2,0,0]=4 1202 B8R1.5 Cc1ccccc1S TS05037 [1,1,0,0,0,0|2,0,0]=4 1203 B8R1.5 Cc1ccccn1=O TS00106 [1,1,0,0,0,0|1,0,1]=4 1204 B8R1.5 Cc1cccnc1Br TS08310 [1,1,0,0,0,0|1,0,0]=3 1205 B8R1.5 Cc1cccnc1C TS07903 [1,1,0,0,0,0|1,0,0]=3 1206 B8R1.5 Cc1cccnc1Cl TS55203 [1,1,0,0,0,0|1,0,0]=3 1207 B8R1.5 Cc1cccnc1F TS08402 [1,1,0,0,0,0|1,0,0]=3 1208 B8R1.5 Cc1cccnc1I TS01069 [1,1,0,0,0,0|1,0,0]=3 1209 B8R1.5 Cc1cccnc1N TS00720 [1,1,0,0,0,0|1,0,0]=3 1210 B8R1.5 Cc1cccnc1N TS01794 [1,1,0,0,0,0|1,0,0]=3 1211 B8R1.5 Cc1cccnc1O TS31800 [1,1,0,0,0,0|1,0,0]=3 1212 B8R1.5 Cc1cccnc1[Zn+] TS26092 [1,1,0,0,0,0|1,0,0]=3 1213 B8R1.5 Cc1ccncc1Br TS09458 [1,1,0,0,0,0|2,0,0]=4 1214 B8R1.5 Cc1ccncc1C TS00124 [1,1,0,0,0,0|1,0,0]=3 1215 B8R1.5 Cc1ccncc1Cl TS65986 [1,1,0,0,0,0|2,0,0]=4 1216 B8R1.5 Cc1ccncc1F TS70582 [1,1,0,0,0,0|2,0,0]=4 1217 B8R1.5 Cc1ccncc1N TS02641 [1,1,0,0,0,0|2,0,0]=4 1218 B8R1.5 Cc1ccncc1O TS03183 [1,1,0,0,0,0|1,0,0]=3 1219 B8R1.5 Cc1ccnnc1Cl TS02026 [1,1,0,0,0,0|2,0,0]=4 1220 B8R1.5 Cc1cnccc1Br TS39326 [1,1,0,0,0,0|1,0,0]=3 1221 B8R1.5 Cc1cnccc1Br TS88793 [1,1,0,0,0,0|1,0,0]=3 1222 B8R1.5 Cc1cnccc1F TS71122 [1,1,0,0,0,0|1,0,0]=3 1223 B8R1.5 Cc1cnccc1N TS70892 [1,1,0,0,0,0|1,0,0]=3 1224 B8R1.5 Cc1cnccc1O TS70666 [1,1,0,0,0,0|1,0,0]=3 1225 B8R1.5 Cc1cncnc1Cl TS71045 [1,1,0,0,0,0|2,0,0]=4 1226 B8R1.5 Cc1cncnc1O TS59515 [1,1,0,0,0,0|2,0,0]=4 1227 B8R1.5 c1c(c(=O)nc[nH]1)O TS03331 [1,1,0,0,0,0|2,0,0]=4 1228 B8R1.5 c1c(c(ncn1)O)Br TS91053 [1,1,0,0,0,0|2,0,0]=4 1229 B8R1.5 c1c(c(ncn1)O)Cl TS86679 [1,1,0,0,0,0|2,0,0]=4 1230 B8R1.5 c1c(c(ncn1)O)F TS03316 [1,1,0,0,0,0|2,0,0]=4 1231 B8R1.5 c1c(c(ncn1)O)I TS91520 [1,1,0,0,0,0|2,0,0]=4 1232 B8R1.5 c1cc(c(=O)oc1)O TS00155 [1,1,0,0,0,0|2,0,0]=4 1233 B8R1.5 c1cc(c(nc1)Br)Br TS47142 [1,1,0,0,0,0|2,0,0]=4 1234 B8R1.5 c1cc(c(nc1)Br)Cl TS08294 [1,1,0,0,0,0|2,0,0]=4 1235 B8R1.5 c1cc(c(nc1)Br)F TS08302 [1,1,0,0,0,0|2,0,0]=4 1236 B8R1.5 c1cc(c(nc1)Br)N TS02623 [1,1,0,0,0,0|2,0,0]=4 1237 B8R1.5 c1cc(c(nc1)Br)N TS20796 [1,1,0,0,0,0|2,0,0]=4 1238 B8R1.5 c1cc(c(nc1)Br)O TS08304 [1,1,0,0,0,0|1,0,0]=3 1239 B8R1.5 c1cc(c(nc1)Cl)Br TS16857 [1,1,0,0,0,0|2,0,0]=4 1240 B8R1.5 c1cc(c(nc1)Cl)Cl TS47154 [1,1,0,0,0,0|2,0,0]=4 1241 B8R1.5 c1cc(c(nc1)Cl)F TS55193 [1,1,0,0,0,0|2,0,0]=4 1242 B8R1.5 c1cc(c(nc1)Cl)I TS55194 [1,1,0,0,0,0|2,0,0]=4 1243 B8R1.5 c1cc(c(nc1)Cl)N TS88773 [1,1,0,0,0,0|2,0,0]=4 1244 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [1,1,0,0,0,0|1,0,0]=3 1245 B8R1.5 c1cc(c(nc1)F)Br TS16866 [1,1,0,0,0,0|2,0,0]=4 1246 B8R1.5 c1cc(c(nc1)F)Cl TS65972 [1,1,0,0,0,0|2,0,0]=4 1247 B8R1.5 c1cc(c(nc1)F)F TS00561 [1,1,0,0,0,0|2,0,0]=4 1248 B8R1.5 c1cc(c(nc1)F)I TS55327 [1,1,0,0,0,0|2,0,0]=4 1249 B8R1.5 c1cc(c(nc1)F)N TS02630 [1,1,0,0,0,0|2,0,0]=4 1250 B8R1.5 c1cc(c(nc1)F)N TS40702 [1,1,0,0,0,0|2,0,0]=4 1251 B8R1.5 c1cc(c(nc1)F)O TS55326 [1,1,0,0,0,0|1,0,0]=3 1252 B8R1.5 c1cc(c(nc1)I)Cl TS57282 [1,1,0,0,0,0|2,0,0]=4 1253 B8R1.5 c1cc(c(nc1)I)F TS70569 [1,1,0,0,0,0|2,0,0]=4 1254 B8R1.5 c1cc(c(nc1)I)I TS63699 [1,1,0,0,0,0|2,0,0]=4 1255 B8R1.5 c1cc(c(nc1)I)N TS02634 [1,1,0,0,0,0|2,0,0]=4 1256 B8R1.5 c1cc(c(nc1)I)O TS01068 [1,1,0,0,0,0|1,0,0]=3 1257 B8R1.5 c1cc(c(nc1)N)Br TS08286 [1,1,0,0,0,0|2,0,0]=4 1258 B8R1.5 c1cc(c(nc1)N)Cl TS47358 [1,1,0,0,0,0|2,0,0]=4 1259 B8R1.5 c1cc(c(nc1)N)F TS47362 [1,1,0,0,0,0|2,0,0]=4 1260 B8R1.5 c1cc(c(nc1)N)I TS47370 [1,1,0,0,0,0|2,0,0]=4 1261 B8R1.5 c1cc(c(nc1)N)N TS00550 [1,1,0,0,0,0|2,0,0]=4 1262 B8R1.5 c1cc(c(nc1)N)O TS07282 [1,1,0,0,0,0|1,0,0]=3 1263 B8R1.5 c1cc(c(nc1)N)O TS47366 [1,1,0,0,0,0|1,0,0]=3 1264 B8R1.5 c1cc(c(nc1)N)S TS36141 [1,1,0,0,0,0|1,1,0]=4 1265 B8R1.5 c1cc(c(nc1)O)Br TS09496 [1,1,0,0,0,0|1,0,0]=3 1266 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [1,1,0,0,0,0|1,0,0]=3 1267 B8R1.5 c1cc(c(nc1)O)F TS70564 [1,1,0,0,0,0|1,0,0]=3 1268 B8R1.5 c1cc(c(nc1)O)N TS31820 [1,1,0,0,0,0|1,0,0]=3 1269 B8R1.5 c1cc(c(nc1)O)O TS04242 [1,1,0,0,0,0|1,0,0]=3 1270 B8R1.5 c1cc(c(nc1)S)O TS05265 [1,1,0,0,0,0|1,0,0]=3 1271 B8R1.5 c1cc[n+](c(c1)O)[O-] TS93221 [1,1,0,0,0,0|1,0,1]=4 1272 B8R1.5 c1ccc(c(c1)N)O TS00817 [1,1,0,0,0,0|2,0,0]=4 1273 B8R1.5 c1ccc(c(c1)N)O TS07143 [1,1,0,0,0,0|2,0,0]=4 1274 B8R1.5 c1ccc(c(c1)N)O TS76832 [1,1,0,0,0,0|2,0,0]=4 1275 B8R1.5 c1ccc(c(c1)O)Br TS00855 [1,1,0,0,0,0|2,0,0]=4 1276 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [1,1,0,0,0,0|2,0,0]=4 1277 B8R1.5 c1ccc(c(c1)O)F TS04282 [1,1,0,0,0,0|2,0,0]=4 1278 B8R1.5 c1ccc(c(c1)O)I TS49691 [1,1,0,0,0,0|2,0,0]=4 1279 B8R1.5 c1ccc(c(c1)O)O TS01670 [1,1,0,0,0,0|2,0,0]=4 1280 B8R1.5 c1ccc(c(c1)O)S TS36136 [1,1,0,0,0,0|2,0,0]=4 1281 B8R1.5 c1ccn(=O)c(c1)O TS04239 [1,1,0,0,0,0|1,0,1]=4 1282 B8R1.5 c1cnc(c(n1)Cl)Cl TS47153 [1,1,0,0,0,0|1,0,0]=3 1283 B8R1.5 c1cnc(c(n1)N)Br TS08285 [1,1,0,0,0,0|1,0,0]=3 1284 B8R1.5 c1cnc(c(n1)N)Cl TS05505 [1,1,0,0,0,0|1,0,0]=3 1285 B8R1.5 c1cnc(c(n1)N)N TS00549 [1,1,0,0,0,0|1,0,0]=3 1286 B8R1.5 c1cnc(c(n1)O)O TS04272 [1,1,0,0,0,0|0,0,0]=2 1287 B8R1.5 c1cncc(c1Br)Br TS02534 [1,1,0,0,0,0|2,0,0]=4 1288 B8R1.5 c1cncc(c1Br)Cl TS09572 [1,1,0,0,0,0|2,0,0]=4 1289 B8R1.5 c1cncc(c1Br)F TS88832 [1,1,0,0,0,0|2,0,0]=4 1290 B8R1.5 c1cncc(c1Br)I TS54679 [1,1,0,0,0,0|2,0,0]=4 1291 B8R1.5 c1cncc(c1Br)N TS65852 [1,1,0,0,0,0|2,0,0]=4 1292 B8R1.5 c1cncc(c1Br)O TS09582 [1,1,0,0,0,0|1,0,0]=3 1293 B8R1.5 c1cncc(c1Cl)Br TS52758 [1,1,0,0,0,0|2,0,0]=4 1294 B8R1.5 c1cncc(c1Cl)Br TS65918 [1,1,0,0,0,0|2,0,0]=4 1295 B8R1.5 c1cncc(c1Cl)Cl TS15363 [1,1,0,0,0,0|2,0,0]=4 1296 B8R1.5 c1cncc(c1Cl)Cl TS65745 [1,1,0,0,0,0|2,0,0]=4 1297 B8R1.5 c1cncc(c1Cl)I TS57279 [1,1,0,0,0,0|2,0,0]=4 1298 B8R1.5 c1cncc(c1Cl)N TS65854 [1,1,0,0,0,0|2,0,0]=4 1299 B8R1.5 c1cncc(c1Cl)O TS09640 [1,1,0,0,0,0|1,0,0]=3 1300 B8R1.5 c1cncc(c1F)Br TS09450 [1,1,0,0,0,0|2,0,0]=4 1301 B8R1.5 c1cncc(c1F)Cl TS36634 [1,1,0,0,0,0|2,0,0]=4 1302 B8R1.5 c1cncc(c1F)F TS32143 [1,1,0,0,0,0|2,0,0]=4 1303 B8R1.5 c1cncc(c1I)Cl TS02697 [1,1,0,0,0,0|2,0,0]=4 1304 B8R1.5 c1cncc(c1I)Cl TS85392 [1,1,0,0,0,0|2,0,0]=4 1305 B8R1.5 c1cncc(c1I)F TS50244 [1,1,0,0,0,0|2,0,0]=4 1306 B8R1.5 c1cncc(c1I)N TS09721 [1,1,0,0,0,0|2,0,0]=4 1307 B8R1.5 c1cncc(c1I)N TS88838 [1,1,0,0,0,0|2,0,0]=4 1308 B8R1.5 c1cncc(c1N)F TS70882 [1,1,0,0,0,0|2,0,0]=4 1309 B8R1.5 c1cncc(c1N)F TS85432 [1,1,0,0,0,0|2,0,0]=4 1310 B8R1.5 c1cncc(c1N)I TS70887 [1,1,0,0,0,0|2,0,0]=4 1311 B8R1.5 c1cncc(c1N)N TS02530 [1,1,0,0,0,0|2,0,0]=4 1312 B8R1.5 c1cncc(c1O)Br TS09465 [1,1,0,0,0,0|2,0,0]=4 1313 B8R1.5 c1cncc(c1O)Cl TS02695 [1,1,0,0,0,0|2,0,0]=4 1314 B8R1.5 c1cncc(c1O)F TS02748 [1,1,0,0,0,0|2,0,0]=4 1315 B8R1.5 c1cncc(c1O)N TS65860 [1,1,0,0,0,0|2,0,0]=4 1316 B8R1.5 c1cncc(c1O)O TS59374 [1,1,0,0,0,0|1,0,0]=3 1317 B8R1.1 CCC1=CCC(=C1)C TS04143 [0,1,0,0,1,0|2,0,0]=4 1318 B8R1.1 CCc1[nH]cc(n1)C TS04212 [0,1,0,0,1,0|1,0,1]=4 1319 B8R1.1 CCc1[nH]cc(n1)C TS45131 [0,1,0,0,1,0|1,0,1]=4 1320 B8R1.1 CCc1cc([nH]n1)N TS03228 [0,1,0,0,1,0|2,0,0]=4 1321 B8R1.1 CCc1ccc(s1)C TS36173 [0,1,0,0,1,0|2,0,0]=4 1322 B8R1.1 CCc1cnc(s1)N TS36320 [0,1,0,0,1,0|2,0,0]=4 1323 B8R1.1 CCc1nc(cs1)C TS36248 [0,1,0,0,1,0|2,0,0]=4 1324 B8R1.1 CCc1nc(sn1)Cl TS07513 [0,1,0,0,1,0|2,0,0]=4 1325 B8R1.1 CCc1nc(sn1)N TS05473 [0,1,0,0,1,0|2,0,0]=4 1326 B8R1.1 CCn1cc(cn1)Br TS13620 [0,1,0,0,1,0|2,0,0]=4 1327 B8R1.1 CCn1cc(cn1)N TS31878 [0,1,0,0,1,0|2,0,0]=4 1328 B8R1.1 COC1=CC(=O)NC1 TS32006 [0,1,0,0,1,0|0,0,2]=4 1329 B8R1.1 COC1=CC(=O)OC1 TS32039 [0,1,0,0,1,0|1,0,1]=4 1330 B8R1.1 COc1cc(n[nH]1)N TS86441 [0,1,0,0,1,0|1,0,0]=3 1331 B8R1.1 COc1cc(n[nH]1)N TS91266 [0,1,0,0,1,0|1,0,0]=3 1332 B8R1.1 COc1cc(no1)N TS01142 [0,1,0,0,1,0|1,0,0]=3 1333 B8R1.1 COc1nc(cs1)Br TS17762 [0,1,0,0,1,0|1,0,0]=3 1334 B8R1.1 COc1ncc(s1)Br TS09792 [0,1,0,0,1,0|1,0,0]=3 1335 B8R1.1 CSc1[nH]nc(n1)N TS36490 [0,1,0,0,1,0|1,1,0]=4 1336 B8R1.1 CSc1nc(cs1)Br TS43733 [0,1,0,0,1,0|1,1,0]=4 1337 B8R1.1 CSc1nc(ns1)Br TS43955 [0,1,0,0,1,0|1,1,0]=4 1338 B8R1.1 CSc1nc(ns1)N TS40576 [0,1,0,0,1,0|1,1,0]=4 1339 B8R1.1 CSc1nc(ns1)O TS07484 [0,1,0,0,1,0|1,1,0]=4 1340 B8R1.1 CSc1nc(on1)N TS36585 [0,1,0,0,1,0|1,1,0]=4 1341 B8R1.1 CSc1nc(sn1)N TS40575 [0,1,0,0,1,0|1,1,0]=4 1342 B8R1.1 CSc1nc(sn1)S TS42812 [0,1,0,0,1,0|1,1,0]=4 1343 B8R1.1 Cc1ncc(s1)OC TS05467 [0,1,0,0,1,0|1,0,0]=3 1344 B8R1.7 CC(=C)c1nccs1 TS05103 [0,1,0,0,1,0|2,0,0]=4 1345 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [0,1,0,0,1,0|1,0,1]=4 1346 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [0,1,0,0,1,0|1,0,1]=4 1347 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [0,1,0,0,1,0|1,0,1]=4 1348 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [0,1,0,0,1,0|1,0,1]=4 1349 B8R1.7 CC(=O)c1ccco1 TS04188 [0,1,0,0,1,0|2,0,0]=4 1350 B8R1.7 CC(=O)c1cccs1 TS08262 [0,1,0,0,1,0|2,0,0]=4 1351 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [0,1,0,0,1,0|2,0,0]=4 1352 B8R1.7 CC(=O)c1ccns1 TS05261 [0,1,0,0,1,0|2,0,0]=4 1353 B8R1.7 CC(=O)c1ccsc1 TS65833 [0,1,0,0,1,0|2,0,0]=4 1354 B8R1.7 CC(=O)c1cncs1 TS46736 [0,1,0,0,1,0|2,0,0]=4 1355 B8R1.7 CC(=O)c1nccs1 TS08261 [0,1,0,0,1,0|2,0,0]=4 1356 B8R1.7 CC(=O)n1cccn1 TS04194 [0,1,0,0,1,0|2,0,0]=4 1357 B8R1.7 CC(=O)n1ccnc1 TS93594 [0,1,0,0,1,0|2,0,0]=4 1358 B8R1.7 CC(C)C1=CC=CC1 TS04141 [0,1,0,0,1,0|2,0,0]=4 1359 B8R1.7 CC(C)c1[nH]ccn1 TS04207 [0,1,0,0,1,0|1,0,1]=4 1360 B8R1.7 CC(C)c1cc[nH]n1 TS04205 [0,1,0,0,1,0|2,0,0]=4 1361 B8R1.7 CC(C)n1cccn1 TS04211 [0,1,0,0,1,0|2,0,0]=4 1362 B8R1.7 CC(C)n1ccnc1 TS04209 [0,1,0,0,1,0|2,0,0]=4 1363 B8R1.7 CC(c1ccco1)N TS04253 [0,1,0,0,1,0|2,0,0]=4 1364 B8R1.7 CC(c1ccco1)O TS31898 [0,1,0,0,1,0|2,0,0]=4 1365 B8R1.7 CC(c1ccoc1)N TS31874 [0,1,0,0,1,0|2,0,0]=4 1366 B8R1.7 CC(c1cscn1)N TS77127 [0,1,0,0,1,0|2,0,0]=4 1367 B8R1.7 CN(C)c1cccs1 TS36249 [0,1,0,0,1,0|2,0,0]=4 1368 B8R1.7 C[C@@H](c1cccs1)O TS05368 [0,1,0,0,1,0|2,0,0]=4 1369 B8R1.7 C[C@H](c1ccco1)O TS31904 [0,1,0,0,1,0|2,0,0]=4 1370 B8R1.7 C[C@H](c1cccs1)O TS08060 [0,1,0,0,1,0|2,0,0]=4 1371 B8R1.8 CCCc1[nH]ccn1 TS02464 [0,1,0,0,1,0|1,0,1]=4 1372 B8R1.8 CCCc1ccco1 TS31836 [0,1,0,0,1,0|2,0,0]=4 1373 B8R1.8 CCCc1cccs1 TS36171 [0,1,0,0,1,0|2,0,0]=4 1374 B8R1.8 CCCc1ccsc1 TS36172 [0,1,0,0,1,0|2,0,0]=4 1375 B8R1.8 CCCn1ccnc1 TS04208 [0,1,0,0,1,0|2,0,0]=4 1376 B8R1.8 CCCn1cncn1 TS31877 [0,1,0,0,1,0|2,0,0]=4 1377 B8R1.8 CCNc1cccs1 TS36245 [0,1,0,0,1,0|2,0,0]=4 1378 B8R1.8 CCOc1nccs1 TS05470 [0,1,0,0,1,0|1,0,0]=3 1379 B8R1.8 CNCc1ccco1 TS04251 [0,1,0,0,1,0|2,0,0]=4 1380 B8R1.8 CNCc1ccco1 TS07391 [0,1,0,0,1,0|2,0,0]=4 1381 B8R1.8 CNCc1cccs1 TS01562 [0,1,0,0,1,0|2,0,0]=4 1382 B8R1.8 CNCc1cccs1 TS11775 [0,1,0,0,1,0|2,0,0]=4 1383 B8R1.8 CNCc1ccn[nH]1 TS39894 [0,1,0,0,1,0|2,0,0]=4 1384 B8R1.8 CNCc1ccno1 TS04292 [0,1,0,0,1,0|2,0,0]=4 1385 B8R1.8 CNCc1ccon1 TS04289 [0,1,0,0,1,0|2,0,0]=4 1386 B8R1.8 CNCc1cscn1 TS36317 [0,1,0,0,1,0|2,0,0]=4 1387 B8R1.8 CNCc1nccs1 TS36316 [0,1,0,0,1,0|2,0,0]=4 1388 B8R1.8 COCc1[nH]ccn1 TS88224 [0,1,0,0,1,0|0,0,1]=3 1389 B8R1.8 COCc1ccco1 TS31900 [0,1,0,0,1,0|1,0,0]=3 1390 B8R1.8 CSCc1ccco1 TS05367 [0,1,0,0,1,0|1,1,0]=4 1391 B8R1.8 c1c(cn[nH]1)CCCl TS12337 [0,1,0,0,1,0|2,0,0]=4 1392 B8R1.8 c1c(cn[nH]1)CCO TS59575 [0,1,0,0,1,0|2,0,0]=4 1393 B8R1.8 c1c(con1)CCO TS04371 [0,1,0,0,1,0|2,0,0]=4 1394 B8R1.8 c1c(nc[nH]1)CCO TS65017 [0,1,0,0,1,0|1,0,1]=4 1395 B8R1.8 c1c(ncs1)CCN TS36318 [0,1,0,0,1,0|2,0,0]=4 1396 B8R1.8 c1c[nH]nc1CCN TS31879 [0,1,0,0,1,0|2,0,0]=4 1397 B8R1.8 c1cc(oc1)CCO TS31915 [0,1,0,0,1,0|2,0,0]=4 1398 B8R1.8 c1cc(sc1)CCBr TS51245 [0,1,0,0,1,0|2,0,0]=4 1399 B8R1.8 c1cc(sc1)CCN TS46632 [0,1,0,0,1,0|2,0,0]=4 1400 B8R1.8 c1cc(sc1)CCN TS65662 [0,1,0,0,1,0|2,0,0]=4 1401 B8R1.8 c1cc(sc1)CCN TS93665 [0,1,0,0,1,0|2,0,0]=4 1402 B8R1.8 c1cc(sc1)CCO TS65661 [0,1,0,0,1,0|2,0,0]=4 1403 B8R1.8 c1cn(cn1)CCN TS85402 [0,1,0,0,1,0|2,0,0]=4 1404 B8R1.8 c1cn(cn1)CCO TS04290 [0,1,0,0,1,0|2,0,0]=4 1405 B8R1.8 c1cnc([nH]1)CCO TS04288 [0,1,0,0,1,0|1,0,1]=4 1406 B8R1.8 c1cnn(c1)CCBr TS01977 [0,1,0,0,1,0|2,0,0]=4 1407 B8R1.8 c1cnn(c1)CCCl TS36568 [0,1,0,0,1,0|2,0,0]=4 1408 B8R1.8 c1cnn(c1)CCO TS04285 [0,1,0,0,1,0|2,0,0]=4 1409 B8R1.8 c1cnn(n1)CCO TS04377 [0,1,0,0,1,0|2,0,0]=4 1410 B8R1.8 c1coc(n1)CCN TS00111 [0,1,0,0,1,0|2,0,0]=4 1411 B8R1.8 c1csc(n1)CCN TS11967 [0,1,0,0,1,0|2,0,0]=4 1412 B8R1.8 c1cscc1CCN TS36246 [0,1,0,0,1,0|2,0,0]=4 1413 B8R1.8 c1cscc1CCO TS01729 [0,1,0,0,1,0|2,0,0]=4 1414 B8R1.8 c1cscc1CCO TS37040 [0,1,0,0,1,0|2,0,0]=4 1415 B8R1.8 c1nc([nH]n1)CCN TS04300 [0,1,0,0,1,0|2,0,0]=4 1416 B8R1.8 c1ncn(n1)CCCl TS01978 [0,1,0,0,1,0|2,0,0]=4 1417 B8R1.8 c1ncn(n1)CCN TS15418 [0,1,0,0,1,0|2,0,0]=4 1418 B8R1.8 c1ncn(n1)CCN TS47333 [0,1,0,0,1,0|2,0,0]=4 1419 B8R1.8 c1ncn(n1)CCO TS04381 [0,1,0,0,1,0|2,0,0]=4 1420 B8R1.11 CCc1c[nH]nc1N TS65857 [0,1,0,0,1,0|2,0,0]=4 1421 B8R1.11 CCn1c(ccn1)N TS86902 [0,1,0,0,1,0|2,0,0]=4 1422 B8R1.11 COc1c(non1)N TS04516 [0,1,0,0,1,0|1,0,0]=3 1423 B8R1.11 Cc1c(cco1)SC TS36315 [0,1,0,0,1,0|1,1,0]=4 1424 B10R1.1 CCOc1ccc(cc1)Br TS38042 [0,2,0,0,0,0|2,0,0]=4 1425 B10R1.1 CCOc1ccc(cc1)C TS06082 [0,2,0,0,0,0|2,0,0]=4 1426 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [0,2,0,0,0,0|2,0,0]=4 1427 B10R1.1 CCOc1ccc(cc1)F TS37363 [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.1 CCOc1ccc(cc1)I TS59517 [0,2,0,0,0,0|2,0,0]=4 1429 B10R1.1 CCOc1ccc(cc1)N TS33162 [0,2,0,0,0,0|2,0,0]=4 1430 B10R1.1 CCOc1ccc(cc1)N TS45702 [0,2,0,0,0,0|2,0,0]=4 1431 B10R1.1 CCOc1ccc(cc1)O TS06257 [0,2,0,0,0,0|2,0,0]=4 1432 B10R1.1 CCOc1ccc(cn1)Br TS71417 [0,2,0,0,0,0|1,0,0]=3 1433 B10R1.1 CCOc1ccc(cn1)N TS37183 [0,2,0,0,0,0|1,0,0]=3 1434 B10R1.1 CCOc1ccc(nc1)Br TS19313 [0,2,0,0,0,0|1,0,0]=3 1435 B10R1.1 CCOc1ccc(nc1)Cl TS10915 [0,2,0,0,0,0|1,0,0]=3 1436 B10R1.1 CCOc1cnc(cn1)C TS06278 [0,2,0,0,0,0|0,0,0]=2 1437 B10R1.1 CCOc1cnc(nc1)Br TS90943 [0,2,0,0,0,0|2,0,0]=4 1438 B10R1.1 CCOc1cnc(nc1)Cl TS87445 [0,2,0,0,0,0|2,0,0]=4 1439 B10R1.1 CCOc1ncc(cn1)Br TS38377 [0,2,0,0,0,0|2,0,0]=4 1440 B10R1.1 CCOc1ncc(cn1)F TS37552 [0,2,0,0,0,0|2,0,0]=4 1441 B10R1.1 COCc1ccc(cc1)F TS37375 [0,2,0,0,0,0|2,0,0]=4 1442 B10R1.1 Cc1ccc(cn1)CCO TS06184 [0,2,0,0,0,0|2,0,0]=4 1443 B10R1.1 c1cc(ncc1Br)CCN TS88073 [0,2,0,0,0,0|2,0,0]=4 1444 B10R1.1 c1cc(ncc1Br)CCO TS86702 [0,2,0,0,0,0|2,0,0]=4 1445 B10R1.3 CCc1ccc(cc1)OC TS06096 [0,2,0,0,0,0|2,0,0]=4 1446 B10R1.3 CCc1ccc(nc1)C=C TS65158 [0,2,0,0,0,0|2,0,0]=4 1447 B10R1.3 CCc1cnc(cn1)CC TS37027 [0,2,0,0,0,0|1,0,0]=3 1448 B10R1.3 CNc1ccc(cc1)OC TS01939 [0,2,0,0,0,0|2,0,0]=4 1449 B10R1.3 COc1ccc(cc1)C#C TS03157 [0,2,0,0,0,0|2,0,0]=4 1450 B10R1.3 COc1ccc(cc1)C#N TS07812 [0,2,0,0,0,0|2,0,0]=4 1451 B10R1.3 COc1ccc(cc1)C=C TS36841 [0,2,0,0,0,0|2,0,0]=4 1452 B10R1.3 COc1ccc(cc1)C=O TS36981 [0,2,0,0,0,0|2,0,0]=4 1453 B10R1.3 COc1ccc(cc1)CBr TS03143 [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.3 COc1ccc(cc1)CCl TS60060 [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.3 COc1ccc(cc1)CN TS03142 [0,2,0,0,0,0|2,0,0]=4 1456 B10R1.3 COc1ccc(cc1)CS TS03144 [0,2,0,0,0,0|2,0,0]=4 1457 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.3 COc1ccc(cc1)NN TS45874 [0,2,0,0,0,0|2,0,0]=4 1459 B10R1.3 COc1ccc(cc1)OC TS07887 [0,2,0,0,0,0|2,0,0]=4 1460 B10R1.3 COc1ccc(cc1)SC TS41410 [0,2,0,0,0,0|2,0,0]=4 1461 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [0,2,0,0,0,0|2,0,0]=4 1462 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [0,2,0,0,0,0|2,0,0]=4 1463 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [0,2,0,0,0,0|2,0,0]=4 1464 B10R1.3 COc1ccc(cn1)C#C TS88941 [0,2,0,0,0,0|1,0,0]=3 1465 B10R1.3 COc1ccc(cn1)C#N TS55433 [0,2,0,0,0,0|1,0,0]=3 1466 B10R1.3 COc1ccc(cn1)C=O TS55618 [0,2,0,0,0,0|1,0,0]=3 1467 B10R1.3 COc1ccc(cn1)CN TS91541 [0,2,0,0,0,0|1,0,0]=3 1468 B10R1.3 COc1ccc(cn1)CO TS87332 [0,2,0,0,0,0|1,0,0]=3 1469 B10R1.3 COc1ccc(cn1)NN TS71564 [0,2,0,0,0,0|1,0,0]=3 1470 B10R1.3 COc1ccc(nc1)C#N TS91172 [0,2,0,0,0,0|1,0,0]=3 1471 B10R1.3 COc1ccc(nc1)C=O TS87371 [0,2,0,0,0,0|1,0,0]=3 1472 B10R1.3 COc1ccc(nc1)CCl TS90886 [0,2,0,0,0,0|1,0,0]=3 1473 B10R1.3 COc1ccc(nc1)CO TS91157 [0,2,0,0,0,0|1,0,0]=3 1474 B10R1.3 COc1ccc(nc1)OC TS94185 [0,2,0,0,0,0|1,0,0]=3 1475 B10R1.3 COc1ncc(cn1)C=O TS55436 [0,2,0,0,0,0|2,0,0]=4 1476 B10R1.3 COc1ncc(cn1)CN TS06379 [0,2,0,0,0,0|2,0,0]=4 1477 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,2,0,0,0,0|2,0,0]=4 1478 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,2,0,0,0,0|2,0,0]=4 1479 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,2,0,0,0,0|2,0,0]=4 1480 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,2,0,0,0,0|2,0,0]=4 1481 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [0,2,0,0,0,0|1,0,0]=3 1482 B10R1.13 CC(C)c1ccc(cn1)N TS88530 [0,2,0,0,0,0|2,0,0]=4 1483 B10R1.13 CC(C)c1ccc(cn1)O TS06186 [0,2,0,0,0,0|2,0,0]=4 1484 B10R1.13 CC(c1ccc(cn1)F)N TS89780 [0,2,0,0,0,0|2,0,0]=4 1485 B10R1.13 CN(C)c1ccc(cn1)N TS43731 [0,2,0,0,0,0|2,0,0]=4 1486 B10R1.13 CN(C)c1ccc(cn1)N TS90829 [0,2,0,0,0,0|2,0,0]=4 1487 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,2,0,0,0,0|2,0,0]=4 1488 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,2,0,0,0,0|2,0,0]=4 1489 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [0,2,0,0,0,0|2,0,0]=4 1490 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [0,2,0,0,0,0|2,0,0]=4 1491 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [0,2,0,0,0,0|2,0,0]=4 1492 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [0,2,0,0,0,0|2,0,0]=4 1493 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [0,2,0,0,0,0|2,0,0]=4 1494 B10R1.25 CCc1c(cc(cn1)Br)N TS85926 [0,2,0,0,0,0|2,0,0]=4 1495 B10R1.25 CCc1c(nc(cn1)C)C TS37031 [0,2,0,0,0,0|1,0,0]=3 1496 B10R1.25 CCc1ccc(nc1N)C TS06103 [0,2,0,0,0,0|2,0,0]=4 1497 B10R1.25 CCc1cnc(cc1N)C TS03292 [0,2,0,0,0,0|2,0,0]=4 1498 B10R1.25 COc1c(cc(cn1)Br)Br TS85440 [0,2,0,0,0,0|1,0,0]=3 1499 B10R1.25 COc1c(cc(cn1)Br)Cl TS23559 [0,2,0,0,0,0|1,0,0]=3 1500 B10R1.25 COc1c(cc(cn1)Br)F TS60302 [0,2,0,0,0,0|1,0,0]=3 1501 B10R1.25 COc1c(cc(cn1)Br)I TS61113 [0,2,0,0,0,0|1,0,0]=3 1502 B10R1.25 COc1c(cc(cn1)Br)N TS86976 [0,2,0,0,0,0|1,0,0]=3 1503 B10R1.25 COc1c(cc(cn1)Br)O TS86842 [0,2,0,0,0,0|1,0,0]=3 1504 B10R1.25 COc1c(cc(cn1)Cl)Br TS55426 [0,2,0,0,0,0|1,0,0]=3 1505 B10R1.25 COc1c(cc(cn1)Cl)F TS11466 [0,2,0,0,0,0|1,0,0]=3 1506 B10R1.25 COc1c(cc(cn1)F)Br TS65083 [0,2,0,0,0,0|1,0,0]=3 1507 B10R1.25 COc1c(cc(cn1)N)Br TS16776 [0,2,0,0,0,0|1,0,0]=3 1508 B10R1.25 COc1c(cc(cn1)N)F TS02650 [0,2,0,0,0,0|1,0,0]=3 1509 B10R1.25 COc1ccc(cc1Br)Br TS73450 [0,2,0,0,0,0|2,0,0]=4 1510 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [0,2,0,0,0,0|2,0,0]=4 1511 B10R1.25 COc1ccc(cc1Br)F TS55106 [0,2,0,0,0,0|2,0,0]=4 1512 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [0,2,0,0,0,0|2,0,0]=4 1513 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [0,2,0,0,0,0|2,0,0]=4 1514 B10R1.25 COc1ccc(cc1Cl)F TS09271 [0,2,0,0,0,0|2,0,0]=4 1515 B10R1.25 COc1ccc(cc1Cl)N TS10908 [0,2,0,0,0,0|2,0,0]=4 1516 B10R1.25 COc1ccc(cc1F)Br TS60384 [0,2,0,0,0,0|2,0,0]=4 1517 B10R1.25 COc1ccc(cc1F)Cl TS39482 [0,2,0,0,0,0|2,0,0]=4 1518 B10R1.25 COc1ccc(cc1F)F TS09234 [0,2,0,0,0,0|2,0,0]=4 1519 B10R1.25 COc1ccc(cc1F)N TS02745 [0,2,0,0,0,0|2,0,0]=4 1520 B10R1.25 COc1ccc(cc1F)O TS02753 [0,2,0,0,0,0|2,0,0]=4 1521 B10R1.25 COc1ccc(cc1F)S TS10975 [0,2,0,0,0,0|2,0,0]=4 1522 B10R1.25 COc1ccc(cc1I)Cl TS39489 [0,2,0,0,0,0|2,0,0]=4 1523 B10R1.25 COc1ccc(cc1I)N TS39440 [0,2,0,0,0,0|2,0,0]=4 1524 B10R1.25 COc1ccc(cc1I)N TS54863 [0,2,0,0,0,0|2,0,0]=4 1525 B10R1.25 COc1ccc(cc1N)Br TS38194 [0,2,0,0,0,0|2,0,0]=4 1526 B10R1.25 COc1ccc(cc1N)Cl TS03051 [0,2,0,0,0,0|2,0,0]=4 1527 B10R1.25 COc1ccc(cc1N)Cl TS10909 [0,2,0,0,0,0|2,0,0]=4 1528 B10R1.25 COc1ccc(cc1N)Cl TS17765 [0,2,0,0,0,0|2,0,0]=4 1529 B10R1.25 COc1ccc(cc1N)F TS07833 [0,2,0,0,0,0|2,0,0]=4 1530 B10R1.25 COc1ccc(cc1N)I TS65363 [0,2,0,0,0,0|2,0,0]=4 1531 B10R1.25 COc1ccc(cc1N)N TS37199 [0,2,0,0,0,0|2,0,0]=4 1532 B10R1.25 COc1ccc(cc1N)N TS43949 [0,2,0,0,0,0|2,0,0]=4 1533 B10R1.25 COc1ccc(cc1N)N TS56780 [0,2,0,0,0,0|2,0,0]=4 1534 B10R1.25 COc1ccc(cc1O)Br TS85281 [0,2,0,0,0,0|2,0,0]=4 1535 B10R1.25 COc1ccc(cc1O)F TS07835 [0,2,0,0,0,0|2,0,0]=4 1536 B10R1.25 COc1ccc(cc1O)N TS37282 [0,2,0,0,0,0|2,0,0]=4 1537 B10R1.25 COc1ccc(cc1O)O TS06433 [0,2,0,0,0,0|2,0,0]=4 1538 B10R1.25 COc1ccc(cc1S)F TS10974 [0,2,0,0,0,0|2,0,0]=4 1539 B10R1.25 COc1ccc(cn1=O)F TS40058 [0,2,0,0,0,0|1,0,1]=4 1540 B10R1.25 COc1ccc(nc1Br)N TS60092 [0,2,0,0,0,0|1,0,0]=3 1541 B10R1.25 COc1ccc(nc1Cl)N TS85122 [0,2,0,0,0,0|1,0,0]=3 1542 B10R1.25 COc1ccc(nc1F)Br TS32806 [0,2,0,0,0,0|1,0,0]=3 1543 B10R1.25 COc1cnc([nH]c1=O)N TS37481 [0,2,0,0,0,0|2,0,0]=4 1544 B10R1.25 COc1cnc(cc1Cl)N TS86843 [0,2,0,0,0,0|1,0,0]=3 1545 B10R1.25 COc1cnc(nc1Cl)Cl TS00610 [0,2,0,0,0,0|2,0,0]=4 1546 B10R1.25 COc1cnc(nc1Cl)N TS59611 [0,2,0,0,0,0|2,0,0]=4 1547 B10R1.25 COc1cnc(nc1O)S TS10964 [0,2,0,0,0,0|2,0,0]=4 1548 B10R1.25 Cc1c(ccc(n1)N)OC TS37202 [0,2,0,0,0,0|1,0,0]=3 1549 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [0,2,0,0,0,0|2,0,0]=4 1550 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [0,2,0,0,0,0|2,0,0]=4 1551 B10R1.25 Cc1cc(ccc1OC)F TS06457 [0,2,0,0,0,0|2,0,0]=4 1552 B10R1.25 Cc1cc(ccc1OC)I TS62512 [0,2,0,0,0,0|2,0,0]=4 1553 B10R1.25 Cc1cc(ccc1OC)N TS71211 [0,2,0,0,0,0|2,0,0]=4 1554 B10R1.25 Cc1cc(cnc1OC)Br TS85280 [0,2,0,0,0,0|1,0,0]=3 1555 B10R1.25 Cc1cc(cnc1OC)F TS39347 [0,2,0,0,0,0|1,0,0]=3 1556 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [0,2,0,0,0,0|2,0,0]=4 1557 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [0,2,0,0,0,0|2,0,0]=4 1558 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [0,2,0,0,0,0|2,0,0]=4 1559 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [0,2,0,0,0,0|2,0,0]=4 1560 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [0,2,0,0,0,0|2,0,0]=4 1561 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [0,2,0,0,0,0|2,0,0]=4 1562 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [0,2,0,0,0,0|2,0,0]=4 1563 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [0,2,0,0,0,0|1,0,0]=3 1564 B10R1.25 Cc1cnc(c(n1)C)SC TS41413 [0,2,0,0,0,0|0,1,0]=3 1565 B10R1.25 c1c(nc(c(n1)C#N)Cl)Cl TS90779 [0,2,0,0,0,0|2,0,0]=4 1566 B10R1.25 c1c(nc(c(n1)C=O)Cl)Cl TS85689 [0,2,0,0,0,0|2,0,0]=4 1567 B10R1.176 CCc1cnc(c(n1)C)C TS37046 [0,2,0,0,0,0|1,0,0]=3 1568 B10R1.176 COc1[nH]c(=O)c(cn1)F TS06915 [0,2,0,0,0,0|2,0,0]=4 1569 B10R1.176 COc1cc(c(cn1)Br)N TS87112 [0,2,0,0,0,0|1,0,0]=3 1570 B10R1.176 COc1cc(c(cn1)F)Br TS16770 [0,2,0,0,0,0|1,0,0]=3 1571 B10R1.176 COc1cc(c(cn1)F)I TS65163 [0,2,0,0,0,0|1,0,0]=3 1572 B10R1.176 COc1cc(c(cn1)N)N TS01260 [0,2,0,0,0,0|1,0,0]=3 1573 B10R1.176 COc1cc(c(nc1)Cl)Cl TS46360 [0,2,0,0,0,0|1,0,0]=3 1574 B10R1.176 COc1ccc(c(c1)Br)Br TS65444 [0,2,0,0,0,0|2,0,0]=4 1575 B10R1.176 COc1ccc(c(c1)Br)Cl TS09326 [0,2,0,0,0,0|2,0,0]=4 1576 B10R1.176 COc1ccc(c(c1)Br)N TS19316 [0,2,0,0,0,0|2,0,0]=4 1577 B10R1.176 COc1ccc(c(c1)Cl)Br TS09571 [0,2,0,0,0,0|2,0,0]=4 1578 B10R1.176 COc1ccc(c(c1)Cl)Cl TS13958 [0,2,0,0,0,0|2,0,0]=4 1579 B10R1.176 COc1ccc(c(c1)Cl)F TS42230 [0,2,0,0,0,0|2,0,0]=4 1580 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [0,2,0,0,0,0|2,0,0]=4 1581 B10R1.176 COc1ccc(c(c1)F)Br TS32865 [0,2,0,0,0,0|2,0,0]=4 1582 B10R1.176 COc1ccc(c(c1)F)Cl TS07778 [0,2,0,0,0,0|2,0,0]=4 1583 B10R1.176 COc1ccc(c(c1)F)F TS60319 [0,2,0,0,0,0|2,0,0]=4 1584 B10R1.176 COc1ccc(c(c1)F)N TS55333 [0,2,0,0,0,0|2,0,0]=4 1585 B10R1.176 COc1ccc(c(c1)F)O TS55337 [0,2,0,0,0,0|2,0,0]=4 1586 B10R1.176 COc1ccc(c(c1)I)Br TS61047 [0,2,0,0,0,0|2,0,0]=4 1587 B10R1.176 COc1ccc(c(c1)I)N TS60298 [0,2,0,0,0,0|2,0,0]=4 1588 B10R1.176 COc1ccc(c(c1)N)Br TS08349 [0,2,0,0,0,0|2,0,0]=4 1589 B10R1.176 COc1ccc(c(c1)N)Cl TS08442 [0,2,0,0,0,0|2,0,0]=4 1590 B10R1.176 COc1ccc(c(c1)N)Cl TS55252 [0,2,0,0,0,0|2,0,0]=4 1591 B10R1.176 COc1ccc(c(c1)N)F TS09302 [0,2,0,0,0,0|2,0,0]=4 1592 B10R1.176 COc1ccc(c(c1)N)N TS94383 [0,2,0,0,0,0|2,0,0]=4 1593 B10R1.176 COc1ccc(c(c1)N)O TS08806 [0,2,0,0,0,0|2,0,0]=4 1594 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [0,2,0,0,0,0|2,0,0]=4 1595 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [0,2,0,0,0,0|2,0,0]=4 1596 B10R1.176 COc1ccc(c(c1)O)N TS13758 [0,2,0,0,0,0|2,0,0]=4 1597 B10R1.176 COc1ccc(c(n1)Br)N TS85165 [0,2,0,0,0,0|1,0,0]=3 1598 B10R1.176 COc1ncc(c(n1)N)F TS40059 [0,2,0,0,0,0|2,0,0]=4 1599 B10R1.176 Cc1c(ccc(n1)OC)Br TS85459 [0,2,0,0,0,0|1,0,0]=3 1600 B10R1.176 Cc1c(ccc(n1)OC)F TS71540 [0,2,0,0,0,0|1,0,0]=3 1601 B10R1.176 Cc1c(ccc(n1)OC)N TS45872 [0,2,0,0,0,0|1,0,0]=3 1602 B10R1.176 Cc1c(ccc(n1)OC)N TS71364 [0,2,0,0,0,0|1,0,0]=3 1603 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [0,2,0,0,0,0|2,0,0]=4 1604 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [0,2,0,0,0,0|2,0,0]=4 1605 B10R1.176 Cc1cc(ccc1F)OC TS60402 [0,2,0,0,0,0|2,0,0]=4 1606 B10R1.176 Cc1cc(ccc1N)OC TS71202 [0,2,0,0,0,0|2,0,0]=4 1607 B10R1.176 Cc1cc(ncc1Br)OC TS85442 [0,2,0,0,0,0|1,0,0]=3 1608 B10R1.176 Cc1cc(ncc1F)OC TS06580 [0,2,0,0,0,0|1,0,0]=3 1609 B10R1.176 Cc1cc(ncc1N)OC TS37189 [0,2,0,0,0,0|1,0,0]=3 1610 B10R1.176 Cc1ccc(cc1C)OC TS06079 [0,2,0,0,0,0|2,0,0]=4 1611 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [0,2,0,0,0,0|2,0,0]=4 1612 B10R1.176 Cc1ccc(cc1F)OC TS65516 [0,2,0,0,0,0|2,0,0]=4 1613 B10R1.176 Cc1ccc(cc1N)OC TS39535 [0,2,0,0,0,0|2,0,0]=4 1614 B10R1.2 COc1c(c(ccn1)N)Br TS91261 [0,2,0,0,0,0|1,0,0]=3 1615 B10R1.2 COc1cccc(c1Br)F TS08297 [0,2,0,0,0,0|2,0,0]=4 1616 B10R1.2 COc1cccc(c1Br)N TS39650 [0,2,0,0,0,0|2,0,0]=4 1617 B10R1.2 COc1cccc(c1Br)O TS38374 [0,2,0,0,0,0|2,0,0]=4 1618 B10R1.2 COc1cccc(c1Cl)Cl TS85190 [0,2,0,0,0,0|2,0,0]=4 1619 B10R1.2 COc1cccc(c1Cl)N TS55195 [0,2,0,0,0,0|2,0,0]=4 1620 B10R1.2 COc1cccc(c1F)Br TS65479 [0,2,0,0,0,0|2,0,0]=4 1621 B10R1.2 COc1cccc(c1F)Cl TS42232 [0,2,0,0,0,0|2,0,0]=4 1622 B10R1.2 COc1cccc(c1F)F TS02338 [0,2,0,0,0,0|2,0,0]=4 1623 B10R1.2 COc1cccc(c1F)O TS37550 [0,2,0,0,0,0|2,0,0]=4 1624 B10R1.2 COc1cccc(c1I)F TS09365 [0,2,0,0,0,0|2,0,0]=4 1625 B10R1.2 COc1cccc(c1N)F TS55365 [0,2,0,0,0,0|2,0,0]=4 1626 B10R1.2 COc1cccc(c1O)Br TS87716 [0,2,0,0,0,0|2,0,0]=4 1627 B10R1.2 COc1cccc(c1O)F TS65426 [0,2,0,0,0,0|2,0,0]=4 1628 B10R1.2 COc1cccc(c1O)O TS60018 [0,2,0,0,0,0|2,0,0]=4 1629 B10R1.2 COc1cccn(=O)c1Br TS19666 [0,2,0,0,0,0|1,0,1]=4 1630 B10R1.2 COc1cn[nH]c(=O)c1Cl TS11334 [0,2,0,0,0,0|2,0,0]=4 1631 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [0,2,0,0,0,0|2,0,0]=4 1632 B10R1.2 Cc1c(cccc1OC)N TS70644 [0,2,0,0,0,0|2,0,0]=4 1633 B10R1.2 Cc1cccc(c1C)OC TS02345 [0,2,0,0,0,0|2,0,0]=4 1634 B10R1.2 Cc1cccc(c1N)OC TS01100 [0,2,0,0,0,0|2,0,0]=4 1635 B10R1.2 Cc1cccc(c1O)OC TS55384 [0,2,0,0,0,0|2,0,0]=4 1636 B10R1.2 Cc1ccnc(c1Br)OC TS89231 [0,2,0,0,0,0|1,0,0]=3 1637 B10R1.2 Cc1ccnc(c1N)OC TS06277 [0,2,0,0,0,0|1,0,0]=3 1638 B10R1.8 COc1cc(cc(c1)Br)Br TS59595 [0,2,0,0,0,0|2,0,0]=4 1639 B10R1.8 COc1cc(cc(c1)Br)F TS65926 [0,2,0,0,0,0|2,0,0]=4 1640 B10R1.8 COc1cc(cc(c1)Cl)Cl TS59597 [0,2,0,0,0,0|2,0,0]=4 1641 B10R1.8 COc1cc(cc(c1)Cl)F TS39999 [0,2,0,0,0,0|2,0,0]=4 1642 B10R1.8 COc1cc(cc(c1)Cl)O TS32936 [0,2,0,0,0,0|2,0,0]=4 1643 B10R1.8 COc1cc(cc(c1)F)F TS65798 [0,2,0,0,0,0|2,0,0]=4 1644 B10R1.8 COc1cc(cc(c1)O)O TS55472 [0,2,0,0,0,0|2,0,0]=4 1645 B10R1.8 COc1cc(nc(n1)N)Cl TS00740 [0,2,0,0,0,0|2,0,0]=4 1646 B10R1.8 COc1cc(nc(n1)N)F TS40060 [0,2,0,0,0,0|2,0,0]=4 1647 B10R1.8 COc1cc(nc(n1)N)N TS00684 [0,2,0,0,0,0|2,0,0]=4 1648 B10R1.8 COc1nc(cc(n1)Cl)Cl TS70844 [0,2,0,0,0,0|2,0,0]=4 1649 B10R1.8 COc1nc(cc(n1)F)N TS40061 [0,2,0,0,0,0|2,0,0]=4 1650 B10R1.8 COc1nc(cc(n1)O)O TS06650 [0,2,0,0,0,0|2,0,0]=4 1651 B10R1.8 Cc1cc(=O)nc([nH]1)OC TS06442 [0,2,0,0,0,0|2,0,0]=4 1652 B10R1.8 Cc1cc(cc(c1)Br)OC TS46928 [0,2,0,0,0,0|2,0,0]=4 1653 B10R1.8 Cc1cc(cc(c1)Cl)OC TS41723 [0,2,0,0,0,0|2,0,0]=4 1654 B10R1.8 Cc1cc(cc(c1)OC)C TS06080 [0,2,0,0,0,0|2,0,0]=4 1655 B10R1.8 Cc1cc(cc(c1)OC)O TS06245 [0,2,0,0,0,0|2,0,0]=4 1656 B10R1.8 Cc1cc(nc(n1)N)OC TS06378 [0,2,0,0,0,0|2,0,0]=4 1657 B10R1.8 Cc1cc(nc(n1)OC)C TS01090 [0,2,0,0,0,0|2,0,0]=4 1658 B10R1.10 CCCc1cccc(n1)N TS55636 [0,2,0,0,0,0|2,0,0]=4 1659 B10R1.10 CCOc1cc(ccn1)Br TS39324 [0,2,0,0,0,0|1,0,0]=3 1660 B10R1.10 CCOc1cc(ccn1)N TS39272 [0,2,0,0,0,0|1,0,0]=3 1661 B10R1.10 CCOc1cc(cnc1)Br TS32931 [0,2,0,0,0,0|1,0,0]=3 1662 B10R1.10 CCOc1cc(ncn1)C TS06273 [0,2,0,0,0,0|2,0,0]=4 1663 B10R1.10 CCOc1cccc(c1)Br TS65957 [0,2,0,0,0,0|2,0,0]=4 1664 B10R1.10 CCOc1cccc(c1)C TS06098 [0,2,0,0,0,0|2,0,0]=4 1665 B10R1.10 CCOc1cccc(c1)F TS37372 [0,2,0,0,0,0|2,0,0]=4 1666 B10R1.10 CCOc1cccc(c1)N TS37121 [0,2,0,0,0,0|2,0,0]=4 1667 B10R1.10 CCOc1cccc(c1)O TS06261 [0,2,0,0,0,0|2,0,0]=4 1668 B10R1.10 CCOc1cccc(c1)S TS41409 [0,2,0,0,0,0|2,0,0]=4 1669 B10R1.10 CCOc1cccc(n1)Br TS19319 [0,2,0,0,0,0|1,0,0]=3 1670 B10R1.10 CCOc1cccc(n1)Cl TS41836 [0,2,0,0,0,0|1,0,0]=3 1671 B10R1.10 CCOc1cccc(n1)N TS37195 [0,2,0,0,0,0|1,0,0]=3 1672 B10R1.10 CCOc1cncc(n1)C TS37188 [0,2,0,0,0,0|0,0,0]=2 1673 B10R1.10 CNCc1cc(ccn1)Br TS19154 [0,2,0,0,0,0|2,0,0]=4 1674 B10R1.10 CNCc1cc(cnc1)Br TS19151 [0,2,0,0,0,0|2,0,0]=4 1675 B10R1.10 COCc1cccc(c1)F TS37370 [0,2,0,0,0,0|2,0,0]=4 1676 B10R1.10 Cc1cccc(n1)CCO TS37109 [0,2,0,0,0,0|2,0,0]=4 1677 B10R1.10 Cc1cccc(n1)CNC TS65175 [0,2,0,0,0,0|2,0,0]=4 1678 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [0,2,0,0,0,0|2,0,0]=4 1679 B10R1.30 CNc1cc(cnc1Cl)Br TS08912 [0,2,0,0,0,0|2,0,0]=4 1680 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [0,2,0,0,0,0|2,0,0]=4 1681 B10R1.30 COc1c(cnc(n1)Cl)Br TS16981 [0,2,0,0,0,0|2,0,0]=4 1682 B10R1.30 COc1c(ncc(n1)Br)N TS16991 [0,2,0,0,0,0|0,0,0]=2 1683 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [0,2,0,0,0,0|2,0,0]=4 1684 B10R1.30 COc1cc(ccc1Br)F TS65379 [0,2,0,0,0,0|2,0,0]=4 1685 B10R1.30 COc1cc(ccc1Br)I TS01774 [0,2,0,0,0,0|2,0,0]=4 1686 B10R1.30 COc1cc(ccc1Br)N TS00018 [0,2,0,0,0,0|2,0,0]=4 1687 B10R1.30 COc1cc(ccc1Br)O TS00019 [0,2,0,0,0,0|2,0,0]=4 1688 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [0,2,0,0,0,0|2,0,0]=4 1689 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [0,2,0,0,0,0|2,0,0]=4 1690 B10R1.30 COc1cc(ccc1Cl)F TS09281 [0,2,0,0,0,0|2,0,0]=4 1691 B10R1.30 COc1cc(ccc1Cl)N TS10907 [0,2,0,0,0,0|2,0,0]=4 1692 B10R1.30 COc1cc(ccc1F)Br TS19895 [0,2,0,0,0,0|2,0,0]=4 1693 B10R1.30 COc1cc(ccc1F)F TS65344 [0,2,0,0,0,0|2,0,0]=4 1694 B10R1.30 COc1cc(ccc1N)Br TS70959 [0,2,0,0,0,0|2,0,0]=4 1695 B10R1.30 COc1cc(ccc1N)F TS93806 [0,2,0,0,0,0|2,0,0]=4 1696 B10R1.30 COc1cc(ccc1N)N TS56779 [0,2,0,0,0,0|2,0,0]=4 1697 B10R1.30 COc1cc(ccc1O)Br TS29434 [0,2,0,0,0,0|2,0,0]=4 1698 B10R1.30 COc1cc(ccc1O)Cl TS11084 [0,2,0,0,0,0|2,0,0]=4 1699 B10R1.30 COc1cc(ccc1O)F TS37549 [0,2,0,0,0,0|2,0,0]=4 1700 B10R1.30 COc1cc(ccc1O)O TS37335 [0,2,0,0,0,0|2,0,0]=4 1701 B10R1.30 COc1cc(cnc1Br)Cl TS23560 [0,2,0,0,0,0|1,0,0]=3 1702 B10R1.30 COc1cc(cnc1N)Br TS38378 [0,2,0,0,0,0|1,0,0]=3 1703 B10R1.30 Cc1c(cc(cn1)Br)OC TS19314 [0,2,0,0,0,0|1,0,0]=3 1704 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [0,2,0,0,0,0|2,0,0]=4 1705 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [0,2,0,0,0,0|2,0,0]=4 1706 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [0,2,0,0,0,0|2,0,0]=4 1707 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [0,2,0,0,0,0|2,0,0]=4 1708 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [0,2,0,0,0,0|1,0,0]=3 1709 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [0,2,0,0,0,0|1,0,0]=3 1710 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [0,2,0,0,0,0|1,0,0]=3 1711 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [0,2,0,0,0,0|1,0,0]=3 1712 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [0,2,0,0,0,0|2,0,0]=4 1713 B10R1.30 Cc1ccc(cc1OC)F TS06455 [0,2,0,0,0,0|2,0,0]=4 1714 B10R1.30 Cc1ccc(cc1OC)N TS59695 [0,2,0,0,0,0|2,0,0]=4 1715 B10R1.30 Cc1ncc(c(n1)OC)N TS71203 [0,2,0,0,0,0|2,0,0]=4 1716 B10R1.30 c1c(nc(c(n1)Br)C#N)Br TS89819 [0,2,0,0,0,0|2,0,0]=4 1717 B10R1.30 c1c(nc(c(n1)N)C#N)Br TS02657 [0,2,0,0,0,0|2,0,0]=4 1718 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [0,2,0,0,0,0|2,0,0]=4 1719 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [0,2,0,0,0,0|2,0,0]=4 1720 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [0,2,0,0,0,0|2,0,0]=4 1721 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [0,2,0,0,0,0|2,0,0]=4 1722 B10R1.113 CC(C)c1cccc(n1)Cl TS55266 [0,2,0,0,0,0|2,0,0]=4 1723 B10R1.113 CC(C)c1cccc(n1)N TS01246 [0,2,0,0,0,0|2,0,0]=4 1724 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [0,2,0,0,0,0|2,0,0]=4 1725 B10R1.113 Cc1cccc(n1)C(C)N TS06109 [0,2,0,0,0,0|2,0,0]=4 1726 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [0,2,0,0,0,0|2,0,0]=4 1727 B10R1.113 Cc1ccnc(c1)C(C)N TS37022 [0,2,0,0,0,0|2,0,0]=4 1728 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [0,2,0,0,0,0|2,0,0]=4 1729 B10R1.172 CCc1cc(cnc1)CC TS36963 [0,2,0,0,0,0|2,0,0]=4 1730 B10R1.172 CCc1cccc(n1)CO TS46566 [0,2,0,0,0,0|2,0,0]=4 1731 B10R1.172 CNc1cccc(c1)OC TS37104 [0,2,0,0,0,0|2,0,0]=4 1732 B10R1.172 CNc1cccc(n1)OC TS37198 [0,2,0,0,0,0|1,0,0]=3 1733 B10R1.172 COC1=CCC=C(C1)OC TS06471 [0,2,0,0,0,0|2,0,0]=4 1734 B10R1.172 COc1cc(ccn1)C#N TS36820 [0,2,0,0,0,0|1,0,0]=3 1735 B10R1.172 COc1cc(ccn1)C=O TS55432 [0,2,0,0,0,0|1,0,0]=3 1736 B10R1.172 COc1cc(ccn1)CN TS86154 [0,2,0,0,0,0|1,0,0]=3 1737 B10R1.172 COc1cc(ccn1)CO TS86056 [0,2,0,0,0,0|1,0,0]=3 1738 B10R1.172 COc1cc(cnc1)C=O TS37089 [0,2,0,0,0,0|1,0,0]=3 1739 B10R1.172 COc1cc(cnc1)CN TS92215 [0,2,0,0,0,0|1,0,0]=3 1740 B10R1.172 COc1cc(cnc1)CO TS86006 [0,2,0,0,0,0|1,0,0]=3 1741 B10R1.172 COc1cc(cnc1)OC TS02599 [0,2,0,0,0,0|1,0,0]=3 1742 B10R1.172 COc1cc(ncn1)CN TS90796 [0,2,0,0,0,0|2,0,0]=4 1743 B10R1.172 COc1cc(ncn1)OC TS02932 [0,2,0,0,0,0|2,0,0]=4 1744 B10R1.172 COc1cccc(c1)C#C TS36666 [0,2,0,0,0,0|2,0,0]=4 1745 B10R1.172 COc1cccc(c1)C#N TS39448 [0,2,0,0,0,0|2,0,0]=4 1746 B10R1.172 COc1cccc(c1)C=O TS02819 [0,2,0,0,0,0|2,0,0]=4 1747 B10R1.172 COc1cccc(c1)CBr TS38037 [0,2,0,0,0,0|2,0,0]=4 1748 B10R1.172 COc1cccc(c1)CCl TS39449 [0,2,0,0,0,0|2,0,0]=4 1749 B10R1.172 COc1cccc(c1)CN TS60017 [0,2,0,0,0,0|2,0,0]=4 1750 B10R1.172 COc1cccc(c1)CO TS39311 [0,2,0,0,0,0|2,0,0]=4 1751 B10R1.172 COc1cccc(c1)C[Zn+] TS50042 [0,2,0,0,0,0|2,0,0]=4 1752 B10R1.172 COc1cccc(c1)NN TS02825 [0,2,0,0,0,0|2,0,0]=4 1753 B10R1.172 COc1cccc(c1)OC TS46804 [0,2,0,0,0,0|2,0,0]=4 1754 B10R1.172 COc1cccc(c1)SC TS41406 [0,2,0,0,0,0|2,0,0]=4 1755 B10R1.172 COc1cccc(c1)[Mg]Br TS44049 [0,2,0,0,0,0|2,0,0]=4 1756 B10R1.172 COc1cccc(n1)C#N TS36815 [0,2,0,0,0,0|1,0,0]=3 1757 B10R1.172 COc1cccc(n1)C=O TS01259 [0,2,0,0,0,0|1,0,0]=3 1758 B10R1.172 COc1cccc(n1)CN TS46568 [0,2,0,0,0,0|1,0,0]=3 1759 B10R1.172 COc1cccc(n1)CO TS06371 [0,2,0,0,0,0|1,0,0]=3 1760 B10R1.172 COc1cccc(n1)OC TS65016 [0,2,0,0,0,0|1,0,0]=3 1761 B10R1.172 COc1ccnc(c1)OC TS06363 [0,2,0,0,0,0|1,0,0]=3 1762 B10R1.172 COc1ccnc(n1)C#N TS88323 [0,2,0,0,0,0|2,0,0]=4 1763 B10R1.172 COc1ccnc(n1)OC TS47234 [0,2,0,0,0,0|2,0,0]=4 1764 B10R1.172 COc1cncc(n1)OC TS37359 [0,2,0,0,0,0|0,0,0]=2 1765 B10R1.172 COc1nccc(n1)CN TS87069 [0,2,0,0,0,0|2,0,0]=4 1766 B10R1.172 COc1nccc(n1)CO TS89082 [0,2,0,0,0,0|2,0,0]=4 1767 B10R1.172 CSc1ccnc(c1)SC TS45357 [0,2,0,0,0,0|1,1,0]=4 1768 B10R1.15 CC(=NO)c1cccnc1 TS06046 [0,2,0,0,0,0|2,0,0]=4 1769 B10R1.15 CCC(=O)c1ccccn1 TS36934 [0,2,0,0,0,0|2,0,0]=4 1770 B10R1.15 CCC(=O)c1cccnc1 TS36927 [0,2,0,0,0,0|2,0,0]=4 1771 B10R1.15 CCC(=O)c1cnccn1 TS88981 [0,2,0,0,0,0|1,0,0]=3 1772 B10R1.15 CCC(C)c1cnccn1 TS37025 [0,2,0,0,0,0|1,0,0]=3 1773 B10R1.15 CCC(c1cnccn1)N TS90912 [0,2,0,0,0,0|1,0,0]=3 1774 B10R1.15 CN(C=O)c1ccccn1 TS06069 [0,2,0,0,0,0|2,0,0]=4 1775 B10R1.15 CNC(=O)c1cccnc1 TS06060 [0,2,0,0,0,0|2,0,0]=4 1776 B10R1.15 COC(=N)c1ccccc1 TS45386 [0,2,0,0,0,0|2,0,0]=4 1777 B10R1.15 COC(=N)c1ccccn1 TS02314 [0,2,0,0,0,0|1,0,0]=3 1778 B10R1.15 COC(=N)c1cnccn1 TS06178 [0,2,0,0,0,0|0,0,0]=2 1779 B10R1.15 COC(=O)c1ccccc1 TS00163 [0,2,0,0,0,0|2,0,0]=4 1780 B10R1.15 COC(=O)c1ccccn1 TS06161 [0,2,0,0,0,0|1,0,0]=3 1781 B10R1.15 COC(=O)c1cccnc1 TS37100 [0,2,0,0,0,0|1,0,0]=3 1782 B10R1.15 COC(=O)c1cccnn1 TS90030 [0,2,0,0,0,0|2,0,0]=4 1783 B10R1.15 COC(=O)c1ccncn1 TS59823 [0,2,0,0,0,0|2,0,0]=4 1784 B10R1.15 COC(=O)c1ccnnc1 TS90861 [0,2,0,0,0,0|2,0,0]=4 1785 B10R1.15 COC(=O)c1cncnc1 TS01558 [0,2,0,0,0,0|2,0,0]=4 1786 B10R1.15 COC(=O)c1ncccn1 TS01557 [0,2,0,0,0,0|2,0,0]=4 1787 B10R1.15 COS(=O)c1ccccc1 TS10693 [0,2,0,0,0,0|2,0,0]=4 1788 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [0,2,0,0,0,0|2,0,0]=4 1789 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [0,2,0,0,0,0|2,0,0]=4 1790 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [0,2,0,0,0,0|2,0,0]=4 1791 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [0,2,0,0,0,0|2,0,0]=4 1792 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [0,2,0,0,0,0|2,0,0]=4 1793 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [0,2,0,0,0,0|2,0,0]=4 1794 B10R1.15 c1cnc(cn1)C(=NO)N TS37168 [0,2,0,0,0,0|2,0,0]=4 1795 B10R1.15 c1cnc(cn1)C(=O)CBr TS08470 [0,2,0,0,0,0|1,0,0]=3 1796 B10R1.15 c1cnc(cn1)C(=O)NN TS37166 [0,2,0,0,0,0|2,0,0]=4 1797 B10R1.28 CC(C)(C)c1ccccn1 TS06013 [0,2,0,0,0,0|2,0,0]=4 1798 B10R1.28 CC(C)(C)c1cnccn1 TS37029 [0,2,0,0,0,0|1,0,0]=3 1799 B10R1.28 CC(C)(c1ccccn1)O TS37126 [0,2,0,0,0,0|2,0,0]=4 1800 B10R1.28 CC(C)(c1cccnc1)N TS06108 [0,2,0,0,0,0|2,0,0]=4 1801 B10R1.28 C[Si](C)(C)c1ccccn1 TS39243 [0,2,0,0,0,0|2,0,0]=4 1802 B10R1.28 C[Sn](C)(C)c1ccccn1 TS57632 [0,2,0,0,0,0|2,0,0]=4 1803 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [0,2,0,0,0,0|2,0,0]=4 1804 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [0,2,0,0,0,0|2,0,0]=4 1805 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [0,2,0,0,0,0|2,0,0]=4 1806 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [0,2,0,0,0,0|2,0,0]=4 1807 B10R1.61 CC(=O)c1c(nccn1)Cl TS90872 [0,2,0,0,0,0|1,0,0]=3 1808 B10R1.61 CC(=O)c1c(nccn1)N TS87446 [0,2,0,0,0,0|1,0,0]=3 1809 B10R1.61 CC(=O)c1cccnc1Br TS18940 [0,2,0,0,0,0|2,0,0]=4 1810 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [0,2,0,0,0,0|2,0,0]=4 1811 B10R1.61 CC(=O)c1cccnc1F TS02616 [0,2,0,0,0,0|2,0,0]=4 1812 B10R1.61 CC(=O)c1cccnc1N TS08276 [0,2,0,0,0,0|2,0,0]=4 1813 B10R1.61 CC(=O)c1cnccc1F TS37273 [0,2,0,0,0,0|2,0,0]=4 1814 B10R1.61 CC(c1c(cccn1)F)O TS06577 [0,2,0,0,0,0|2,0,0]=4 1815 B10R1.61 CC(c1cccnc1Br)N TS19152 [0,2,0,0,0,0|2,0,0]=4 1816 B10R1.61 CC(c1cccnc1N)O TS37203 [0,2,0,0,0,0|2,0,0]=4 1817 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [0,2,0,0,0,0|1,0,0]=3 1818 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [0,2,0,0,0,0|2,0,0]=4 1819 B10R1.61 c1cnc(c(n1)C(=O)N)O TS60014 [0,2,0,0,0,0|2,0,0]=4 1820 B10R1.61 c1cnc(c(n1)C(=O)O)Cl TS66008 [0,2,0,0,0,0|2,0,0]=4 1821 B10R1.61 c1cnc(c(n1)C(=O)O)N TS37261 [0,2,0,0,0,0|2,0,0]=4 1822 B10R1.61 c1cnc(c(n1)C(=O)O)O TS16634 [0,2,0,0,0,0|2,0,0]=4 1823 B10R1.61 c1cnc(c(n1)[N+](=O)[O-])Cl TS02022 [0,2,0,0,0,0|2,0,0]=4 1824 B10R1.4 CCOc1c(cccn1)Br TS19321 [0,2,0,0,0,0|1,0,0]=3 1825 B10R1.4 CCOc1c(cccn1)I TS27857 [0,2,0,0,0,0|1,0,0]=3 1826 B10R1.4 CCOc1c(nccn1)C TS37192 [0,2,0,0,0,0|0,0,0]=2 1827 B10R1.4 CCOc1ccccc1Br TS39657 [0,2,0,0,0,0|2,0,0]=4 1828 B10R1.4 CCOc1ccccc1Cl TS41727 [0,2,0,0,0,0|2,0,0]=4 1829 B10R1.4 CCOc1ccccc1F TS37374 [0,2,0,0,0,0|2,0,0]=4 1830 B10R1.4 CCOc1ccccc1N TS37118 [0,2,0,0,0,0|2,0,0]=4 1831 B10R1.4 CCOc1ccccc1N TS45700 [0,2,0,0,0,0|2,0,0]=4 1832 B10R1.4 CCOc1ccccc1O TS06253 [0,2,0,0,0,0|2,0,0]=4 1833 B10R1.4 CCOc1ccccc1S TS41408 [0,2,0,0,0,0|2,0,0]=4 1834 B10R1.4 CCOc1cccnc1Br TS19312 [0,2,0,0,0,0|1,0,0]=3 1835 B10R1.4 CCOc1cccnc1N TS37190 [0,2,0,0,0,0|1,0,0]=3 1836 B10R1.4 CCOc1cnccc1Br TS38195 [0,2,0,0,0,0|1,0,0]=3 1837 B10R1.4 CNCc1c(cccn1)F TS86149 [0,2,0,0,0,0|2,0,0]=4 1838 B10R1.4 COCc1ccccc1F TS37369 [0,2,0,0,0,0|2,0,0]=4 1839 B10R1.4 Cc1c(cccn1)CCO TS37129 [0,2,0,0,0,0|2,0,0]=4 1840 B10R1.4 c1cc(c(nc1)CCN)Br TS86650 [0,2,0,0,0,0|2,0,0]=4 1841 B10R1.4 c1cnc(c(n1)CC#N)Cl TS85791 [0,2,0,0,0,0|1,0,1]=4 1842 B10R1.17 C#CCOc1ccccc1 TS36668 [0,2,0,0,0,0|2,0,0]=4 1843 B10R1.17 C=CCOc1ccccc1 TS36847 [0,2,0,0,0,0|2,0,0]=4 1844 B10R1.17 C=CCOc1ccccn1 TS36929 [0,2,0,0,0,0|1,0,0]=3 1845 B10R1.17 CCCCc1ccccn1 TS06002 [0,2,0,0,0,0|2,0,0]=4 1846 B10R1.17 CCCCc1cccnc1 TS06012 [0,2,0,0,0,0|2,0,0]=4 1847 B10R1.17 CCCOc1ccccc1 TS37010 [0,2,0,0,0,0|2,0,0]=4 1848 B10R1.17 CCOCc1ccccc1 TS37009 [0,2,0,0,0,0|2,0,0]=4 1849 B10R1.17 CNCCc1ccccn1 TS37041 [0,2,0,0,0,0|2,0,0]=4 1850 B10R1.17 CNCCc1ccccn1 TS63536 [0,2,0,0,0,0|2,0,0]=4 1851 B10R1.17 CNCCc1ccccn1 TS65180 [0,2,0,0,0,0|2,0,0]=4 1852 B10R1.17 CNCCc1cccnc1 TS08004 [0,2,0,0,0,0|2,0,0]=4 1853 B10R1.17 COC=Cc1ccccc1 TS36842 [0,2,0,0,0,0|2,0,0]=4 1854 B10R1.17 COC=Nc1ccccc1 TS36922 [0,2,0,0,0,0|2,0,0]=4 1855 B10R1.17 COCCc1ccccc1 TS06081 [0,2,0,0,0,0|2,0,0]=4 1856 B10R1.17 COCCc1ccccn1 TS06192 [0,2,0,0,0,0|1,0,0]=3 1857 B10R1.17 COCOc1ccccc1 TS06260 [0,2,0,0,0,0|2,0,0]=4 1858 B10R1.17 COCOc1cccnc1 TS06375 [0,2,0,0,0,0|1,0,0]=3 1859 B10R1.17 COCSc1ccccc1 TS10468 [0,2,0,0,0,0|2,0,0]=4 1860 B10R1.17 CSCOc1ccccc1 TS10467 [0,2,0,0,0,0|2,0,0]=4 1861 B10R1.17 c1cc(cnc1)C=CCCl TS12428 [0,2,0,0,0,0|2,0,0]=4 1862 B10R1.17 c1cc(cnc1)CCC#N TS05740 [0,2,0,0,0,0|2,0,0]=4 1863 B10R1.17 c1cc(cnc1)CCCO TS37116 [0,2,0,0,0,0|2,0,0]=4 1864 B10R1.17 c1ccc(cc1)COCCl TS39818 [0,2,0,0,0,0|2,0,0]=4 1865 B10R1.17 c1ccc(cc1)OCC=O TS36991 [0,2,0,0,0,0|2,0,0]=4 1866 B10R1.17 c1ccc(cc1)OCCBr TS55768 [0,2,0,0,0,0|2,0,0]=4 1867 B10R1.17 c1ccc(cc1)OCCCl TS10798 [0,2,0,0,0,0|2,0,0]=4 1868 B10R1.17 c1ccc(cc1)OCCN TS65630 [0,2,0,0,0,0|2,0,0]=4 1869 B10R1.17 c1ccc(cc1)OCCO TS06243 [0,2,0,0,0,0|2,0,0]=4 1870 B10R1.17 c1ccnc(c1)CCCCl TS10631 [0,2,0,0,0,0|2,0,0]=4 1871 B10R1.17 c1ccnc(c1)CCCO TS02471 [0,2,0,0,0,0|2,0,0]=4 1872 B10R1.17 c1ccnc(c1)NCCO TS45873 [0,2,0,0,0,0|2,0,0]=4 1873 B10R1.17 c1ccnc(c1)SCCO TS10597 [0,2,0,0,0,0|1,1,0]=4 1874 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [0,2,0,0,0,0|2,0,0]=4 1875 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [0,2,0,0,0,0|2,0,0]=4 1876 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [0,2,0,0,0,0|2,0,0]=4 1877 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [0,2,0,0,0,0|2,0,0]=4 1878 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [0,2,0,0,0,0|2,0,0]=4 1879 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [0,2,0,0,0,0|1,0,0]=3 1880 B10R1.18 CC(C)Cc1ccccn1 TS36960 [0,2,0,0,0,0|2,0,0]=4 1881 B10R1.18 CC(C)Cc1cccnc1 TS06005 [0,2,0,0,0,0|2,0,0]=4 1882 B10R1.18 CC(C)Cc1cnccn1 TS06100 [0,2,0,0,0,0|1,0,0]=3 1883 B10R1.18 CC(C)Nc1cccnc1 TS64905 [0,2,0,0,0,0|2,0,0]=4 1884 B10R1.18 CC(Cc1ccccn1)N TS46983 [0,2,0,0,0,0|2,0,0]=4 1885 B10R1.18 CC(Cc1cccnc1)N TS00050 [0,2,0,0,0,0|2,0,0]=4 1886 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [0,2,0,0,0,0|2,0,0]=4 1887 B10R1.18 c1cnc(cn1)CC(=O)O TS02465 [0,2,0,0,0,0|1,0,1]=4 1888 B10R1.20 CCc1c(nccn1)CC TS37039 [0,2,0,0,0,0|1,0,0]=3 1889 B10R1.20 CCc1c(nccn1)OC TS06275 [0,2,0,0,0,0|0,0,0]=2 1890 B10R1.20 CCc1c(nccn1)SC TS41416 [0,2,0,0,0,0|0,1,0]=3 1891 B10R1.20 CCc1ccccc1OC TS06091 [0,2,0,0,0,0|2,0,0]=4 1892 B10R1.20 CCc1ccncc1CC TS36953 [0,2,0,0,0,0|2,0,0]=4 1893 B10R1.20 CNc1c(cccn1)C=O TS06056 [0,2,0,0,0,0|2,0,0]=4 1894 B10R1.20 CNc1c(cccn1)CO TS00522 [0,2,0,0,0,0|2,0,0]=4 1895 B10R1.20 CNc1ccccc1OC TS06193 [0,2,0,0,0,0|2,0,0]=4 1896 B10R1.20 COc1c(cccn1)C#N TS36816 [0,2,0,0,0,0|1,0,0]=3 1897 B10R1.20 COc1c(cccn1)C=O TS55430 [0,2,0,0,0,0|1,0,0]=3 1898 B10R1.20 COc1c(cccn1)CN TS85674 [0,2,0,0,0,0|1,0,0]=3 1899 B10R1.20 COc1c(cccn1)CN TS86802 [0,2,0,0,0,0|1,0,0]=3 1900 B10R1.20 COc1c(cccn1)CO TS88118 [0,2,0,0,0,0|1,0,0]=3 1901 B10R1.20 COc1c(nncn1)CN TS92875 [0,2,0,0,0,0|1,0,0]=3 1902 B10R1.20 COc1ccccc1C#C TS55428 [0,2,0,0,0,0|2,0,0]=4 1903 B10R1.20 COc1ccccc1C#N TS02018 [0,2,0,0,0,0|2,0,0]=4 1904 B10R1.20 COc1ccccc1C=C TS36839 [0,2,0,0,0,0|2,0,0]=4 1905 B10R1.20 COc1ccccc1C=O TS00088 [0,2,0,0,0,0|2,0,0]=4 1906 B10R1.20 COc1ccccc1CBr TS46746 [0,2,0,0,0,0|2,0,0]=4 1907 B10R1.20 COc1ccccc1CCl TS01104 [0,2,0,0,0,0|2,0,0]=4 1908 B10R1.20 COc1ccccc1CN TS01103 [0,2,0,0,0,0|2,0,0]=4 1909 B10R1.20 COc1ccccc1CO TS06248 [0,2,0,0,0,0|2,0,0]=4 1910 B10R1.20 COc1ccccc1NN TS46513 [0,2,0,0,0,0|2,0,0]=4 1911 B10R1.20 COc1ccccc1OC TS07876 [0,2,0,0,0,0|2,0,0]=4 1912 B10R1.20 COc1ccccc1SC TS55437 [0,2,0,0,0,0|2,0,0]=4 1913 B10R1.20 COc1ccccc1[Mg]Br TS44048 [0,2,0,0,0,0|2,0,0]=4 1914 B10R1.20 COc1cccnc1C#N TS05878 [0,2,0,0,0,0|1,0,0]=3 1915 B10R1.20 COc1cccnc1C=O TS06166 [0,2,0,0,0,0|1,0,0]=3 1916 B10R1.20 COc1cccnc1CN TS06271 [0,2,0,0,0,0|1,0,0]=3 1917 B10R1.20 COc1cccnc1CO TS08026 [0,2,0,0,0,0|1,0,0]=3 1918 B10R1.20 COc1cccnc1OC TS16354 [0,2,0,0,0,0|1,0,0]=3 1919 B10R1.20 COc1cnccc1C=O TS06158 [0,2,0,0,0,0|1,0,0]=3 1920 B10R1.20 CSc1c(cccn1)C#N TS09907 [0,2,0,0,0,0|1,1,0]=4 1921 B10R1.20 CSc1c(cccn1)CCl TS50635 [0,2,0,0,0,0|1,1,0]=4 1922 B10R1.20 c1cnc(c(n1)C#N)C#N TS36461 [0,2,0,0,0,0|2,0,0]=4 1923 B10R1.245 COc1c(cccc1Br)Br TS65354 [0,2,0,0,0,0|2,0,0]=4 1924 B10R1.245 COc1c(cccc1Br)F TS65034 [0,2,0,0,0,0|2,0,0]=4 1925 B10R1.245 COc1c(cccc1Cl)Cl TS13957 [0,2,0,0,0,0|2,0,0]=4 1926 B10R1.245 COc1c(cccc1Cl)F TS42231 [0,2,0,0,0,0|2,0,0]=4 1927 B10R1.245 COc1c(cccc1F)F TS09248 [0,2,0,0,0,0|2,0,0]=4 1928 B10R1.245 COc1c(cccc1F)N TS70568 [0,2,0,0,0,0|2,0,0]=4 1929 B10R1.245 COc1c(cccc1I)F TS65422 [0,2,0,0,0,0|2,0,0]=4 1930 B10R1.245 COc1c(cccc1O)O TS37340 [0,2,0,0,0,0|2,0,0]=4 1931 B10R1.245 COc1c(ncnc1Cl)Cl TS70833 [0,2,0,0,0,0|2,0,0]=4 1932 B10R1.245 COc1c(ncnc1Cl)N TS11183 [0,2,0,0,0,0|2,0,0]=4 1933 B10R1.245 COc1c(ncnc1O)O TS02926 [0,2,0,0,0,0|2,0,0]=4 1934 B10R1.245 Cc1c(c(=O)cc[nH]1)OC TS06357 [0,2,0,0,0,0|1,0,1]=4 1935 B10R1.245 Cc1c(c(ccn1)Cl)OC TS87868 [0,2,0,0,0,0|1,0,0]=3 1936 B10R1.245 Cc1cccc(c1OC)C TS09255 [0,2,0,0,0,0|2,0,0]=4 1937 B8R2.25 c1ccc2c(c1)C2 TS71846 [1,0,0,1,0,0|2,0,0]=4 1938 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [0,1,0,1,0,0|2,0,0]=4 1939 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [0,1,0,1,0,0|2,0,0]=4 1940 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [0,1,0,1,0,0|2,0,0]=4 1941 B10R2.7 c1c[nH]c2c1nccn2 TS70840 [0,1,0,1,0,0|1,0,1]=4 1942 B10R2.7 c1cc2c(cco2)nc1 TS89676 [0,1,0,1,0,0|1,0,1]=4 1943 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [0,1,0,1,0,0|2,0,0]=4 1944 B10R2.7 c1cc2c(nc1)CNC2 TS01200 [0,1,0,1,0,0|2,0,0]=4 1945 B10R2.7 c1cc2c(nc1)CNC2 TS90710 [0,1,0,1,0,0|2,0,0]=4 1946 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [0,1,0,1,0,0|2,0,0]=4 1947 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [0,1,0,1,0,0|2,0,0]=4 1948 B10R2.7 c1ccc2c(c1)COC2 TS04810 [0,1,0,1,0,0|2,0,0]=4 1949 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [0,1,0,1,0,0|2,0,0]=4 1950 B10R2.7 c1cnc2c(n1)CNC2 TS29457 [0,1,0,1,0,0|1,0,0]=3 1951 B10R2.7 c1cncc2c1CNC2 TS00566 [0,1,0,1,0,0|2,0,0]=4 1952 B10R2.7 c1cncc2c1CNC2 TS41735 [0,1,0,1,0,0|2,0,0]=4 1953 B6R1.2 C1=CN=NC1=O TS03479 [1,0,0,0,1,0|1,0,1]=4 1954 B6R1.2 C1=NC(=O)N=N1 TS94818 [1,0,0,0,1,0|1,0,1]=4 1955 B6R1.2 Cc1[nH]ccn1 TS59974 [1,0,0,0,1,0|0,0,1]=3 1956 B6R1.2 Cc1[nH]nnn1 TS02262 [1,0,0,0,1,0|2,0,0]=4 1957 B6R1.2 Cc1c[nH]cn1 TS03464 [1,0,0,0,1,0|0,0,1]=3 1958 B6R1.2 Cc1c[nH]nc1 TS04770 [1,0,0,0,1,0|1,0,0]=3 1959 B6R1.2 Cc1c[nH]nc1 TS71226 [1,0,0,0,1,0|1,0,0]=3 1960 B6R1.2 Cc1cc[nH]c1 TS70679 [1,0,0,0,1,0|0,0,1]=3 1961 B6R1.2 Cc1cc[nH]n1 TS70653 [1,0,0,0,1,0|1,0,0]=3 1962 B6R1.2 Cc1ccco1 TS03463 [1,0,0,0,1,0|1,0,0]=3 1963 B6R1.2 Cc1cccs1 TS65607 [1,0,0,0,1,0|1,0,0]=3 1964 B6R1.2 Cc1ccno1 TS71696 [1,0,0,0,1,0|1,0,0]=3 1965 B6R1.2 Cc1ccoc1 TS02846 [1,0,0,0,1,0|1,0,0]=3 1966 B6R1.2 Cc1ccsc1 TS70682 [1,0,0,0,1,0|1,0,0]=3 1967 B6R1.2 Cc1ccsn1 TS39717 [1,0,0,0,1,0|1,0,0]=3 1968 B6R1.2 Cc1cncs1 TS33187 [1,0,0,0,1,0|1,0,0]=3 1969 B6R1.2 Cc1cscn1 TS71246 [1,0,0,0,1,0|1,0,0]=3 1970 B6R1.2 Cc1csnn1 TS03855 [1,0,0,0,1,0|2,0,0]=4 1971 B6R1.2 Cc1nc[nH]n1 TS70651 [1,0,0,0,1,0|1,0,0]=3 1972 B6R1.2 Cn1cccc1 TS03445 [1,0,0,0,1,0|2,0,0]=4 1973 B6R1.2 Cn1cccn1 TS47002 [1,0,0,0,1,0|1,0,0]=3 1974 B6R1.2 Cn1ccnc1 TS00490 [1,0,0,0,1,0|1,0,0]=3 1975 B6R1.2 Cn1ccnn1 TS00462 [1,0,0,0,1,0|2,0,0]=4 1976 B6R1.2 Cn1cncn1 TS22971 [1,0,0,0,1,0|1,0,0]=3 1977 B6R1.2 Cn1cnnn1 TS03481 [1,0,0,0,1,0|2,0,0]=4 1978 B6R1.2 c1[nH]nc(n1)Cl TS09508 [1,0,0,0,1,0|2,0,0]=4 1979 B6R1.2 c1[nH]nc(n1)I TS17984 [1,0,0,0,1,0|2,0,0]=4 1980 B6R1.2 c1[nH]nc(n1)N TS03483 [1,0,0,0,1,0|2,0,0]=4 1981 B6R1.2 c1[nH]nc(n1)S TS59902 [1,0,0,0,1,0|1,1,0]=4 1982 B6R1.2 c1[nH]nc(n1)[Na] TS03640 [1,0,0,0,1,0|2,0,0]=4 1983 B6R1.2 c1c(cn[nH]1)Br TS70940 [1,0,0,0,1,0|2,0,0]=4 1984 B6R1.2 c1c(cn[nH]1)Cl TS09689 [1,0,0,0,1,0|2,0,0]=4 1985 B6R1.2 c1c(cn[nH]1)F TS03520 [1,0,0,0,1,0|2,0,0]=4 1986 B6R1.2 c1c(cn[nH]1)I TS09720 [1,0,0,0,1,0|2,0,0]=4 1987 B6R1.2 c1c(cn[nH]1)N TS70917 [1,0,0,0,1,0|2,0,0]=4 1988 B6R1.2 c1c(cn[nH]1)N TS70918 [1,0,0,0,1,0|2,0,0]=4 1989 B6R1.2 c1c(con1)N TS02997 [1,0,0,0,1,0|2,0,0]=4 1990 B6R1.2 c1c(csn1)Br TS09610 [1,0,0,0,1,0|2,0,0]=4 1991 B6R1.2 c1c(nc[nH]1)Br TS70938 [1,0,0,0,1,0|1,0,1]=4 1992 B6R1.2 c1c(nc[nH]1)Cl TS01850 [1,0,0,0,1,0|1,0,1]=4 1993 B6R1.2 c1c(nc[nH]1)F TS03521 [1,0,0,0,1,0|1,0,1]=4 1994 B6R1.2 c1c(nc[nH]1)I TS94042 [1,0,0,0,1,0|1,0,1]=4 1995 B6R1.2 c1c(ncs1)Br TS09617 [1,0,0,0,1,0|2,0,0]=4 1996 B6R1.2 c1c(ncs1)Cl TS71080 [1,0,0,0,1,0|2,0,0]=4 1997 B6R1.2 c1c(scn1)Br TS71467 [1,0,0,0,1,0|2,0,0]=4 1998 B6R1.2 c1c(scn1)N TS55508 [1,0,0,0,1,0|2,0,0]=4 1999 B6R1.2 c1c[nH]cc1Br TS40352 [1,0,0,0,1,0|1,0,1]=4 2000 B6R1.2 c1c[nH]nc1Br TS09495 [1,0,0,0,1,0|2,0,0]=4 2001 B6R1.2 c1c[nH]nc1N TS00451 [1,0,0,0,1,0|2,0,0]=4 2002 B6R1.2 c1c[nH]nc1N TS94840 [1,0,0,0,1,0|2,0,0]=4 2003 B6R1.2 c1cc(oc1)Br TS55169 [1,0,0,0,1,0|2,0,0]=4 2004 B6R1.2 c1cc(sc1)Br TS55181 [1,0,0,0,1,0|2,0,0]=4 2005 B6R1.2 c1cc(sc1)Cl TS04771 [1,0,0,0,1,0|2,0,0]=4 2006 B6R1.2 c1cc(sc1)F TS01041 [1,0,0,0,1,0|2,0,0]=4 2007 B6R1.2 c1cc(sc1)I TS07727 [1,0,0,0,1,0|2,0,0]=4 2008 B6R1.2 c1cc(sc1)S TS39686 [1,0,0,0,1,0|1,1,0]=4 2009 B6R1.2 c1cc(sc1)[Zn+] TS24604 [1,0,0,0,1,0|2,0,0]=4 2010 B6R1.2 c1cn[nH]c1N TS55377 [1,0,0,0,1,0|2,0,0]=4 2011 B6R1.2 c1cnc([nH]1)Br TS55170 [1,0,0,0,1,0|1,0,1]=4 2012 B6R1.2 c1cnc([nH]1)Cl TS08380 [1,0,0,0,1,0|1,0,1]=4 2013 B6R1.2 c1cnc([nH]1)F TS03522 [1,0,0,0,1,0|1,0,1]=4 2014 B6R1.2 c1cnc([nH]1)N TS47471 [1,0,0,0,1,0|1,0,1]=4 2015 B6R1.2 c1cnc([nH]1)N TS47472 [1,0,0,0,1,0|1,0,1]=4 2016 B6R1.2 c1cnc([nH]1)S TS03856 [1,0,0,0,1,0|0,1,1]=4 2017 B6R1.2 c1cnoc1N TS85224 [1,0,0,0,1,0|2,0,0]=4 2018 B6R1.2 c1coc(n1)I TS86803 [1,0,0,0,1,0|2,0,0]=4 2019 B6R1.2 c1coc(n1)N TS00816 [1,0,0,0,1,0|2,0,0]=4 2020 B6R1.2 c1cocc1Br TS65944 [1,0,0,0,1,0|2,0,0]=4 2021 B6R1.2 c1conc1Br TS01843 [1,0,0,0,1,0|2,0,0]=4 2022 B6R1.2 c1conc1Cl TS31649 [1,0,0,0,1,0|2,0,0]=4 2023 B6R1.2 c1conc1N TS65834 [1,0,0,0,1,0|2,0,0]=4 2024 B6R1.2 c1csc(n1)Br TS55175 [1,0,0,0,1,0|2,0,0]=4 2025 B6R1.2 c1csc(n1)Cl TS00969 [1,0,0,0,1,0|2,0,0]=4 2026 B6R1.2 c1csc(n1)N TS06140 [1,0,0,0,1,0|2,0,0]=4 2027 B6R1.2 c1csc(n1)N TS56047 [1,0,0,0,1,0|2,0,0]=4 2028 B6R1.2 c1csc(n1)S TS32304 [1,0,0,0,1,0|1,1,0]=4 2029 B6R1.2 c1csc(n1)[Zn+] TS24766 [1,0,0,0,1,0|2,0,0]=4 2030 B6R1.2 c1cscc1Br TS09501 [1,0,0,0,1,0|2,0,0]=4 2031 B6R1.2 c1cscc1Cl TS04772 [1,0,0,0,1,0|2,0,0]=4 2032 B6R1.2 c1cscc1I TS70636 [1,0,0,0,1,0|2,0,0]=4 2033 B6R1.2 c1cscc1N TS02675 [1,0,0,0,1,0|2,0,0]=4 2034 B6R1.2 c1cscc1N TS88823 [1,0,0,0,1,0|2,0,0]=4 2035 B6R1.2 c1cscc1S TS60165 [1,0,0,0,1,0|1,1,0]=4 2036 B6R1.2 c1csnc1Br TS39302 [1,0,0,0,1,0|2,0,0]=4 2037 B6R1.2 c1nc(sn1)Cl TS71480 [1,0,0,0,1,0|2,0,0]=4 2038 B6R1.2 c1nc(sn1)N TS03215 [1,0,0,0,1,0|2,0,0]=4