0 B5R1.1 C1=CCNC1 Z2306624771 [0,0,0,0,0,0|2,0,1]=3 1 B5R1.1 C1=CNC=C1 Z104479036 [0,0,0,0,0,0|2,0,0]=2 2 B5R1.1 C1=CNC=N1 Z104472692 [0,0,0,0,0,0|1,0,0]=1 3 B5R1.1 C1=CNN=C1 Z104507728 [0,0,0,0,0,0|1,0,0]=1 4 B5R1.1 C1=CNN=N1 Z237528494 [0,0,0,0,0,0|2,0,0]=2 5 B5R1.1 C1=NN=CN1 Z104479156 [0,0,0,0,0,0|0,0,2]=2 6 B5R1.1 C1=NN=CS1 Z1198156558 [0,0,0,0,0,0|1,0,1]=2 7 B6R1.2 BrC1=CNC=N1 Z1213725191 [0,1,0,0,0,0|1,0,0]=2 8 B6R1.2 C=C1CCNC1 Z3019986853 [0,1,0,0,0,0|2,0,1]=4 9 B6R1.2 C=C1CNOC1 Z3037884222 [0,1,0,0,0,0|3,0,0]=4 10 B6R1.2 CC1=CC=CN1 Z594218440 [0,1,0,0,0,0|2,0,0]=3 11 B6R1.2 CC1=CC=CO1 Z104472456 [0,1,0,0,0,0|3,0,0]=4 12 B6R1.2 CC1=CCNC1 Z1203734447 [0,1,0,0,0,0|2,0,1]=4 13 B6R1.2 CC1=CN=CN1 Z1945707502 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.2 CC1=CN=CO1 Z1198180653 [0,1,0,0,0,0|2,0,0]=3 15 B6R1.2 CC1=CNC=C1 Z1203730789 [0,1,0,0,0,0|2,0,0]=3 16 B6R1.2 CC1=CNN=C1 Z600419582 [0,1,0,0,0,0|1,0,0]=2 17 B6R1.2 CC1=CNN=N1 Z1255358215 [0,1,0,0,0,0|2,0,0]=3 18 B6R1.2 CC1=COC=N1 Z1198313432 [0,1,0,0,0,0|2,0,0]=3 19 B6R1.2 CC1=NC=CN1 Z104494990 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.2 CC1=NCCN1 Z204020260 [0,1,0,0,0,0|1,0,1]=3 21 B6R1.2 CC1=NCCS1 Z104480256 [0,1,0,0,0,0|2,0,1]=4 22 B6R1.2 CC1=NNC=C1 Z450469310 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.2 CC1=NNC=N1 Z939944658 [0,1,0,0,0,0|0,0,0]=1 24 B6R1.2 CN1C=CC=C1 Z57127895 [0,1,0,0,0,0|2,0,0]=3 25 B6R1.2 CN1C=CC=N1 Z336081430 [0,1,0,0,0,0|1,0,0]=2 26 B6R1.2 CN1C=CN=C1 Z104506032 [0,1,0,0,0,0|1,0,0]=2 27 B6R1.2 CN1C=CN=N1 Z1198221873 [0,1,0,0,0,0|2,0,0]=3 28 B6R1.2 CN1C=NC=N1 Z237493308 [0,1,0,0,0,0|0,0,0]=1 29 B6R1.2 CN1C=NN=C1 Z2216303087 [0,1,0,0,0,0|0,0,2]=3 30 B6R1.2 CN1C=NN=N1 Z1198150919 [0,1,0,0,0,0|1,0,0]=2 31 B6R1.2 ClC1=CNN=C1 Z275169786 [0,1,0,0,0,0|1,0,0]=2 32 B6R1.2 ClC1=NC=NN1 Z56788868 [0,1,0,0,0,0|0,0,0]=1 33 B6R1.2 ClC1=NNC=C1 Z1255493581 [0,1,0,0,0,0|1,0,0]=2 34 B6R1.2 IC1=CNN=C1 Z1203162050 [0,1,0,0,0,0|1,0,0]=2 35 B6R1.2 N=C1CCCN1 Z204007506 [0,1,0,0,0,0|2,0,1]=4 36 B6R1.2 NC1=CC=NO1 Z415654518 [0,1,0,0,0,0|2,0,0]=3 37 B6R1.2 NC1=CC=NS1 Z2568737642 [0,1,0,0,0,0|2,0,0]=3 38 B6R1.2 NC1=CN=NS1 Z1116303505 [0,1,0,0,0,0|2,0,1]=4 39 B6R1.2 NC1=CNC=N1 Z3241270014 [0,1,0,0,0,0|1,0,0]=2 40 B6R1.2 NC1=CNN=N1 Z1964347651 [0,1,0,0,0,0|2,0,0]=3 41 B6R1.2 NC1=CSC=C1 Z1962138158 [0,1,0,0,0,0|3,0,0]=4 42 B6R1.2 NC1=CSN=C1 Z2467685283 [0,1,0,0,0,0|2,0,0]=3 43 B6R1.2 NC1=CSN=N1 Z1868316819 [0,1,0,0,0,0|2,0,1]=4 44 B6R1.2 NC1=NC=CN1 Z1262237195 [0,1,0,0,0,0|1,0,0]=2 45 B6R1.2 NC1=NC=CO1 Z939904646 [0,1,0,0,0,0|2,0,0]=3 46 B6R1.2 NC1=NC=CS1 Z104472798 [0,1,0,0,0,0|2,0,0]=3 47 B6R1.2 NC1=NC=NS1 Z1827897976 [0,1,0,0,0,0|1,0,0]=2 48 B6R1.2 NC1=NCCO1 Z336087916 [0,1,0,0,0,0|2,0,1]=4 49 B6R1.2 NC1=NN=CN1 Z56866006 [0,1,0,0,0,0|0,0,2]=3 50 B6R1.2 NC1=NN=CO1 Z277559304 [0,1,0,0,0,0|1,0,1]=3 51 B6R1.2 NC1=NN=CS1 Z56899142 [0,1,0,0,0,0|1,0,1]=3 52 B6R1.2 NC1=NN=NN1 Z1250100717 [0,1,0,0,0,0|1,0,0]=2 53 B6R1.2 NC1=NN=NS1 Z57087680 [0,1,0,0,0,0|2,0,0]=3 54 B6R1.2 NC1=NNC=C1 Z240126818 [0,1,0,0,0,0|1,0,0]=2 55 B6R1.2 NC1=NNCC1 Z1569708704 [0,1,0,0,0,0|1,0,1]=3 56 B6R1.2 NC1=NON=C1 Z1203638167 [0,1,0,0,0,0|2,0,0]=3 57 B6R1.2 NC1=NSN=C1 Z2065788230 [0,1,0,0,0,0|2,0,0]=3 58 B6R1.2 O=C1C=CCO1 Z1219048777 [0,1,0,0,0,0|3,0,0]=4 59 B6R1.2 O=C1C=CNN1 Z1198154338 [0,1,0,0,0,0|1,0,1]=3 60 B6R1.2 O=C1C=CSN1 Z1741980421 [0,1,0,0,0,0|2,0,0]=3 61 B6R1.2 O=C1CCCN1 Z104472846 [0,1,0,0,0,0|2,0,1]=4 62 B6R1.2 O=C1CCNC1 Z1741976513 [0,1,0,0,0,0|2,0,1]=4 63 B6R1.2 O=C1CCNN1 Z2935001239 [0,1,0,0,0,0|1,0,2]=4 64 B6R1.2 O=C1NC=CN1 Z1198148260 [0,1,0,0,0,0|1,0,1]=3 65 B6R1.2 O=C1NC=CS1 Z445210514 [0,1,0,0,0,0|2,0,0]=3 66 B6R1.2 O=C1NCCN1 Z104494954 [0,1,0,0,0,0|1,0,2]=4 67 B6R1.2 O=C1NCCO1 Z104474784 [0,1,0,0,0,0|2,0,1]=4 68 B6R1.2 O=C1NCCS1 Z55928860 [0,1,0,0,0,0|2,0,1]=4 69 B6R1.2 OC1=NN=CS1 Z1238571564 [0,1,0,0,0,0|1,0,1]=3 70 B6R1.2 OC1=NOC=C1 Z1255501207 [0,1,0,0,0,0|2,0,0]=3 71 B6R1.2 OC1=NSN=C1 Z119989398 [0,1,0,0,0,0|2,0,0]=3 72 B6R1.2 ON1C=CC=N1 Z1198342489 [0,1,0,0,0,0|1,0,0]=2 73 B6R1.2 SC1=NC=CN1 Z1198723329 [0,1,0,0,0,0|1,0,0]=2 74 B6R1.2 SC1=NC=NN1 Z56871783 [0,1,0,0,0,0|0,0,0]=1 75 B6R1.2 SC1=NCCN1 Z104497392 [0,1,0,0,0,0|1,0,1]=3 76 B6R1.2 SC1=NN=CS1 Z104503476 [0,1,0,0,0,0|1,0,1]=3 77 B6R1.2 [S-]C1=CN=NS1 Z1198153122 [0,1,0,0,0,0|2,0,1]=4 78 B4R0.2 C=NCC#N Z425450894 [0,0,1,0,0,0|1,0,2]=4 79 B4R0.2 NC/C=C/Cl Z2941400887 [0,0,1,0,0,0|2,0,1]=4 80 B6R1.1 C1=CC=CC=C1 Z57120059 [0,0,0,0,0,1|3,0,0]=4 81 B6R1.1 C1=CC=NC=C1 Z56899837 [0,0,0,0,0,1|2,0,0]=3 82 B6R1.1 C1=CCNCC1 Z1623864216 [0,0,0,0,0,1|2,0,1]=4 83 B6R1.1 C1=CCONC1 Z1486018651 [0,0,0,0,0,1|2,0,1]=4 84 B6R1.1 C1=NCCCN1 Z1198163087 [0,0,0,0,0,1|1,0,1]=3 85 B3R0.1 C=CCO Z104473976 [1,0,1,0,0,0|2,0,0]=4 86 B3R0.1 I/C=C/I Z2417817184 [1,0,1,0,0,0|2,0,0]=4 87 B3R0.1 N/C=N/O Z156964716 [1,0,1,0,0,0|1,0,0]=3 88 B5R0.1 C/C(=N/C#N)/N Z2573128414 [0,1,1,0,0,0|0,0,2]=4 89 B5R0.1 CCNC(=N)N Z2574931373 [0,1,1,0,0,0|1,0,1]=4 90 B5R0.1 N#CNC(=N)N Z203045078 [0,1,1,0,0,0|2,0,0]=4 91 B5R0.1 N=C(N)NC=O Z1203578554 [0,1,1,0,0,0|1,0,1]=4 92 B5R0.2 C=C/C=C/CN Z3270208113 [0,1,1,0,0,0|2,0,0]=4 93 B5R0.3 C/N=C(\C)/NC Z1431002714 [0,1,1,0,0,0|1,0,1]=4 94 B5R0.3 C/N=C(\N)/NC Z1089996530 [0,1,1,0,0,0|1,0,1]=4 95 B7R1.3 BrC1=CN=CN=C1 Z285136922 [0,1,0,0,0,1|1,0,0]=3 96 B7R1.3 BrC1=NC=CC=N1 Z415645012 [0,1,0,0,0,1|1,0,0]=3 97 B7R1.3 BrC1=NC=CN=C1 Z415645016 [0,1,0,0,0,1|1,0,0]=3 98 B7R1.3 BrC1=NN=CC=C1 Z425821176 [0,1,0,0,0,1|1,0,1]=4 99 B7R1.3 CC1=CN=CC=C1 Z104475010 [0,1,0,0,0,1|2,0,0]=4 100 B7R1.3 CC1=CN=NC=C1 Z1255398931 [0,1,0,0,0,1|1,0,1]=4 101 B7R1.3 CC1=NC=CC=C1 Z104472800 [0,1,0,0,0,1|2,0,0]=4 102 B7R1.3 CC1=NC=CN=C1 Z415628164 [0,1,0,0,0,1|1,0,0]=3 103 B7R1.3 CC1=NN=CC=C1 Z1245648324 [0,1,0,0,0,1|1,0,1]=4 104 B7R1.3 ClC1=NC=CC=N1 Z104477694 [0,1,0,0,0,1|1,0,0]=3 105 B7R1.3 ClC1=NC=CN=C1 Z104490192 [0,1,0,0,0,1|1,0,0]=3 106 B7R1.3 ClC1=NC=NC=C1 Z1962223597 [0,1,0,0,0,1|1,0,0]=3 107 B7R1.3 ClC1=NN=CC=C1 Z3225948108 [0,1,0,0,0,1|1,0,1]=4 108 B7R1.3 IC1=CN=CN=C1 Z1259106172 [0,1,0,0,0,1|1,0,0]=3 109 B7R1.3 IC1=NC=CN=C1 Z1235940810 [0,1,0,0,0,1|1,0,0]=3 110 B7R1.3 NC1=CC=NC=C1 Z104495272 [0,1,0,0,0,1|2,0,0]=4 111 B7R1.3 NC1=CN=CC=C1 Z104494800 [0,1,0,0,0,1|2,0,0]=4 112 B7R1.3 NC1=CN=CN=C1 Z800187814 [0,1,0,0,0,1|1,0,0]=3 113 B7R1.3 NC1=NC=CC=C1 Z104472278 [0,1,0,0,0,1|2,0,0]=4 114 B7R1.3 NC1=NC=CC=N1 Z2895177097 [0,1,0,0,0,1|1,0,0]=3 115 B7R1.3 NC1=NC=CN=C1 Z56899063 [0,1,0,0,0,1|1,0,0]=3 116 B7R1.3 NC1=NC=NC=C1 Z3244659415 [0,1,0,0,0,1|1,0,0]=3 117 B7R1.3 NC1=NC=NC=N1 Z1165162993 [0,1,0,0,0,1|0,0,1]=3 118 B7R1.3 NC1=NC=NN=C1 Z1203581736 [0,1,0,0,0,1|0,0,1]=3 119 B7R1.3 NC1=NCCCN1 Z1259041088 [0,1,0,0,0,1|1,0,1]=4 120 B7R1.3 NC1=NN=CC=C1 Z991531024 [0,1,0,0,0,1|1,0,1]=4 121 B7R1.3 NC1=NN=CC=N1 Z104477884 [0,1,0,0,0,1|0,0,1]=3 122 B7R1.3 O=C1C=CC=CN1 Z1245646663 [0,1,0,0,0,1|2,0,0]=4 123 B7R1.3 O=C1C=CC=NN1 Z803153778 [0,1,0,0,0,1|1,0,0]=3 124 B7R1.3 O=C1C=NC=CN1 Z3225868124 [0,1,0,0,0,1|1,0,0]=3 125 B7R1.3 O=C1N=CC=CN1 Z1201023052 [0,1,0,0,0,1|1,0,0]=3 126 B7R1.3 OC1=CN=CC=C1 Z104476790 [0,1,0,0,0,1|2,0,0]=4 127 B7R1.3 OC1=CN=CN=C1 Z1116372083 [0,1,0,0,0,1|1,0,0]=3 128 B7R1.3 OC1=CN=NC=C1 Z2235790619 [0,1,0,0,0,1|1,0,1]=4 129 B7R1.3 OC1=NC=NC=C1 Z314605438 [0,1,0,0,0,1|1,0,0]=3 130 B7R1.3 S=C1C=CNC=N1 Z1258992452 [0,1,0,0,0,1|1,0,0]=3 131 B7R1.3 SC1=NC=CC=C1 Z203045372 [0,1,0,0,0,1|2,0,0]=4 132 B7R1.3 SC1=NC=CC=N1 Z87001196 [0,1,0,0,0,1|1,0,0]=3 133 B7R1.3 SC1=NC=CN=C1 Z239089534 [0,1,0,0,0,1|1,0,0]=3 134 B7R1.1 C#CC1=NC=CS1 Z1255400696 [0,2,0,0,0,0|2,0,0]=4 135 B7R1.1 C#CC1=NNC=C1 Z1868316810 [0,2,0,0,0,0|1,0,0]=3 136 B7R1.1 CCC1=CNC=N1 Z1203731354 [0,2,0,0,0,0|1,0,0]=3 137 B7R1.1 CCC1=CNN=C1 Z1139192482 [0,2,0,0,0,0|1,0,0]=3 138 B7R1.1 CCC1=NC=CN1 Z803154382 [0,2,0,0,0,0|1,0,0]=3 139 B7R1.1 CCC1=NN=CN1 Z2065464313 [0,2,0,0,0,0|0,0,2]=4 140 B7R1.1 CCC1=NN=NN1 Z335291070 [0,2,0,0,0,0|1,0,0]=3 141 B7R1.1 CCC1=NNC=C1 Z1238571110 [0,2,0,0,0,0|1,0,0]=3 142 B7R1.1 CCN1C=CC=N1 Z600618624 [0,2,0,0,0,0|1,0,0]=3 143 B7R1.1 CCN1C=CN=C1 Z286789018 [0,2,0,0,0,0|1,0,0]=3 144 B7R1.1 CCN1C=CN=N1 Z4497103939 [0,2,0,0,0,0|2,0,0]=4 145 B7R1.1 CNC1=CNN=C1 Z1313483441 [0,2,0,0,0,0|1,0,0]=3 146 B7R1.1 CNC1=CNN=N1 Z5069198351 [0,2,0,0,0,0|2,0,0]=4 147 B7R1.1 CNC1=NC=CS1 Z336483296 [0,2,0,0,0,0|2,0,0]=4 148 B7R1.1 CNC1=NCCN1 Z3072981652 [0,2,0,0,0,0|1,0,1]=4 149 B7R1.1 CNC1=NN=CO1 Z235540568 [0,2,0,0,0,0|1,0,1]=4 150 B7R1.1 CNC1=NN=CS1 Z1082870996 [0,2,0,0,0,0|1,0,1]=4 151 B7R1.1 CNC1=NN=NN1 Z2572821634 [0,2,0,0,0,0|1,0,0]=3 152 B7R1.1 CNC1=NOC=C1 Z2489381644 [0,2,0,0,0,0|2,0,0]=4 153 B7R1.1 COC1=CNN=C1 Z2525138345 [0,2,0,0,0,0|1,0,0]=3 154 B7R1.1 COC1=NN=CS1 Z1642058386 [0,2,0,0,0,0|1,0,1]=4 155 B7R1.1 COC1=NNC=C1 Z2130657375 [0,2,0,0,0,0|1,0,0]=3 156 B7R1.1 COC1=NSC=C1 Z1198333966 [0,2,0,0,0,0|2,0,0]=4 157 B7R1.1 CSC1=NC=CN1 Z1203730949 [0,2,0,0,0,0|1,0,0]=3 158 B7R1.1 CSC1=NCCN1 Z56790627 [0,2,0,0,0,0|1,0,1]=4 159 B7R1.1 CSC1=NN=NN1 Z821307136 [0,2,0,0,0,0|1,0,0]=3 160 B7R1.1 N#CC1=CC=NN1 Z1082448654 [0,2,0,0,0,0|1,0,0]=3 161 B7R1.1 N#CC1=CN=CS1 Z1160900223 [0,2,0,0,0,0|2,0,0]=4 162 B7R1.1 N#CC1=CNC=C1 Z1198155834 [0,2,0,0,0,0|2,0,0]=4 163 B7R1.1 N#CC1=CNN=C1 Z1082448648 [0,2,0,0,0,0|1,0,0]=3 164 B7R1.1 N#CC1=COC=N1 Z1143441220 [0,2,0,0,0,0|2,0,0]=4 165 B7R1.1 N#CC1=CSC=N1 Z1079456078 [0,2,0,0,0,0|2,0,0]=4 166 B7R1.1 N#CC1=CSN=C1 Z1216812452 [0,2,0,0,0,0|2,0,0]=4 167 B7R1.1 N#CC1=NC=CN1 Z1198180312 [0,2,0,0,0,0|1,0,0]=3 168 B7R1.1 N#CC1=NC=CS1 Z1198221374 [0,2,0,0,0,0|2,0,0]=4 169 B7R1.1 N#CC1=NN=CN1 Z104510140 [0,2,0,0,0,0|0,0,2]=4 170 B7R1.1 N#CC1=NN=N[N-]1 Z4958192841 [0,2,0,0,0,0|1,0,1]=4 171 B7R1.1 N#CC1=NOC=N1 Z1813175777 [0,2,0,0,0,0|1,0,0]=3 172 B7R1.1 N#CC1=NSC=C1 Z1255498705 [0,2,0,0,0,0|2,0,0]=4 173 B7R1.1 N#CN1C=CN=C1 Z1255365116 [0,2,0,0,0,0|1,0,0]=3 174 B7R1.1 NCC1=CC=CN1 Z976631692 [0,2,0,0,0,0|2,0,0]=4 175 B7R1.1 NCC1=CC=NO1 Z1964347782 [0,2,0,0,0,0|2,0,0]=4 176 B7R1.1 NCC1=CC=NS1 Z2310716170 [0,2,0,0,0,0|2,0,0]=4 177 B7R1.1 NCC1=CN=CN1 Z1250100778 [0,2,0,0,0,0|1,0,0]=3 178 B7R1.1 NCC1=CNC=C1 Z1203586194 [0,2,0,0,0,0|2,0,0]=4 179 B7R1.1 NCC1=CNN=C1 Z1198394221 [0,2,0,0,0,0|1,0,0]=3 180 B7R1.1 NCC1=CNN=N1 Z2768172060 [0,2,0,0,0,0|2,0,0]=4 181 B7R1.1 NCC1=CSN=C1 Z2310727787 [0,2,0,0,0,0|2,0,0]=4 182 B7R1.1 NCC1=NC=CN1 Z1962341939 [0,2,0,0,0,0|1,0,0]=3 183 B7R1.1 NCC1=NC=CO1 Z4774639311 [0,2,0,0,0,0|2,0,0]=4 184 B7R1.1 NCC1=NC=CS1 Z1198107502 [0,2,0,0,0,0|2,0,0]=4 185 B7R1.1 NCC1=NC=NO1 Z2310727797 [0,2,0,0,0,0|1,0,0]=3 186 B7R1.1 NCC1=NCCN1 Z2714784585 [0,2,0,0,0,0|1,0,1]=4 187 B7R1.1 NCC1=NN=CO1 Z104505014 [0,2,0,0,0,0|1,0,1]=4 188 B7R1.1 NCC1=NN=CS1 Z2738360224 [0,2,0,0,0,0|1,0,1]=4 189 B7R1.1 NCC1=NN=NN1 Z1172068153 [0,2,0,0,0,0|1,0,0]=3 190 B7R1.1 NCC1=NOC=C1 Z802903300 [0,2,0,0,0,0|2,0,0]=4 191 B7R1.1 NCC1=NOC=N1 Z1266854926 [0,2,0,0,0,0|1,0,0]=3 192 B7R1.1 NCC1=NON=C1 Z2944173400 [0,2,0,0,0,0|2,0,0]=4 193 B7R1.1 O=CC1=CC=CN1 Z104478580 [0,2,0,0,0,0|2,0,0]=4 194 B7R1.1 O=CC1=CNC=C1 Z1154253206 [0,2,0,0,0,0|2,0,0]=4 195 B7R1.1 O=CC1=CNN=C1 Z275127960 [0,2,0,0,0,0|1,0,0]=3 196 B7R1.1 O=CC1=COC=N1 Z1255431640 [0,2,0,0,0,0|2,0,0]=4 197 B7R1.1 O=CC1=CSC=N1 Z734052598 [0,2,0,0,0,0|2,0,0]=4 198 B7R1.1 O=CC1=NNC=C1 Z234896951 [0,2,0,0,0,0|1,0,0]=3 199 B7R1.1 OCC1=CNC=N1 Z234898057 [0,2,0,0,0,0|1,0,0]=3 200 B7R1.1 OCC1=CNN=C1 Z812520032 [0,2,0,0,0,0|1,0,0]=3 201 B7R1.1 OCC1=NC=CN1 Z825761068 [0,2,0,0,0,0|1,0,0]=3 202 B7R1.1 OCC1=NC=CS1 Z57161013 [0,2,0,0,0,0|2,0,0]=4 203 B7R1.1 OCC1=NN=CN1 Z2574360328 [0,2,0,0,0,0|0,0,2]=4 204 B7R1.1 OCC1=NN=NN1 Z1000189 [0,2,0,0,0,0|1,0,0]=3 205 B7R1.1 OCC1=NOC=C1 Z875021162 [0,2,0,0,0,0|2,0,0]=4 206 B7R1.1 OCN1C=CC=N1 Z1198155714 [0,2,0,0,0,0|1,0,0]=3 207 B7R1.1 OCN1C=NC=N1 Z57071658 [0,2,0,0,0,0|0,0,0]=2 208 B7R1.2 BrC1=CN=C(S1)Br Z1267861077 [0,2,0,0,0,0|2,0,0]=4 209 B7R1.2 BrC1=CSC(=N1)Br Z600503298 [0,2,0,0,0,0|2,0,0]=4 210 B7R1.2 BrC1=NN=C(S1)Br Z56871608 [0,2,0,0,0,0|1,0,1]=4 211 B7R1.2 BrC1=NNC(=N1)Br Z57069343 [0,2,0,0,0,0|0,0,0]=2 212 B7R1.2 CC1=CC(=NN1)C Z50145988 [0,2,0,0,0,0|1,0,0]=3 213 B7R1.2 CC1=CC(=NO1)N Z104503828 [0,2,0,0,0,0|2,0,0]=4 214 B7R1.2 CC1=CC(=NS1)N Z1198165856 [0,2,0,0,0,0|2,0,0]=4 215 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,2,0,0,0,0|2,0,0]=4 216 B7R1.2 CC1=CN=C(N1)O Z2630875693 [0,2,0,0,0,0|1,0,0]=3 217 B7R1.2 CC1=CN=C(O1)N Z994267654 [0,2,0,0,0,0|2,0,0]=4 218 B7R1.2 CC1=CN=C(S1)N Z104500072 [0,2,0,0,0,0|2,0,0]=4 219 B7R1.2 CC1=CNC(=N1)C Z217301646 [0,2,0,0,0,0|1,0,0]=3 220 B7R1.2 CC1=CNC(=N1)N Z2515238565 [0,2,0,0,0,0|1,0,0]=3 221 B7R1.2 CC1=CNC(=N1)S Z1198163268 [0,2,0,0,0,0|1,0,0]=3 222 B7R1.2 CC1=COC(=N1)S Z1416179155 [0,2,0,0,0,0|2,0,0]=4 223 B7R1.2 CC1=CSC(=N1)N Z48847548 [0,2,0,0,0,0|2,0,0]=4 224 B7R1.2 CC1=CSC(=N1)S Z203045926 [0,2,0,0,0,0|2,0,0]=4 225 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,2,0,0,0,0|2,0,0]=4 226 B7R1.2 CC1=NC(=NO1)N Z1147462977 [0,2,0,0,0,0|1,0,0]=3 227 B7R1.2 CC1=NC(=NS1)N Z1198313987 [0,2,0,0,0,0|1,0,0]=3 228 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,2,0,0,0,0|0,0,1]=3 229 B7R1.2 CC1=NC=C(S1)N Z951517342 [0,2,0,0,0,0|2,0,0]=4 230 B7R1.2 CC1=NN=C(N1)N Z951367902 [0,2,0,0,0,0|0,0,2]=4 231 B7R1.2 CC1=NN=C(O1)N Z56957510 [0,2,0,0,0,0|1,0,1]=4 232 B7R1.2 CC1=NN=C(O1)S Z55879328 [0,2,0,0,0,0|1,0,1]=4 233 B7R1.2 CC1=NN=C(S1)Br Z431956576 [0,2,0,0,0,0|1,0,1]=4 234 B7R1.2 CC1=NN=C(S1)N Z56900928 [0,2,0,0,0,0|1,0,1]=4 235 B7R1.2 CC1=NN=C(S1)O Z1238571569 [0,2,0,0,0,0|1,0,1]=4 236 B7R1.2 CC1=NN=C(S1)S Z104485716 [0,2,0,0,0,0|1,0,1]=4 237 B7R1.2 CC1=NNC(=C1)N Z55423088 [0,2,0,0,0,0|1,0,0]=3 238 B7R1.2 CC1=NNC(=N1)C Z57161895 [0,2,0,0,0,0|0,0,0]=2 239 B7R1.2 CC1=NNC(=N1)S Z55982146 [0,2,0,0,0,0|0,0,0]=2 240 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,2,0,0,0,0|1,0,0]=3 241 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,2,0,0,0,0|1,0,0]=3 242 B7R1.2 CC1=NOC(=C1)N Z118429566 [0,2,0,0,0,0|2,0,0]=4 243 B7R1.2 CC1=NOC(=N1)N Z339356524 [0,2,0,0,0,0|1,0,0]=3 244 B7R1.2 CC1=NOC(=N1)O Z1258992446 [0,2,0,0,0,0|1,0,0]=3 245 B7R1.2 CC1=NOC(=N1)S Z1033258624 [0,2,0,0,0,0|1,0,0]=3 246 B7R1.2 CC1=NSC(=C1)N Z204042038 [0,2,0,0,0,0|2,0,0]=4 247 B7R1.2 CC1=NSC(=N1)Cl Z368555490 [0,2,0,0,0,0|1,0,0]=3 248 B7R1.2 CC1=NSC(=N1)N Z431702718 [0,2,0,0,0,0|1,0,0]=3 249 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,2,0,0,0,0|1,0,1]=4 250 B7R1.2 CN1C=C(C=N1)Br Z337709426 [0,2,0,0,0,0|1,0,0]=3 251 B7R1.2 CN1C=C(C=N1)I Z957334240 [0,2,0,0,0,0|1,0,0]=3 252 B7R1.2 CN1C=C(C=N1)N Z1741968059 [0,2,0,0,0,0|1,0,0]=3 253 B7R1.2 CN1C=C(C=N1)O Z1258763763 [0,2,0,0,0,0|1,0,0]=3 254 B7R1.2 CN1C=C(N=N1)Br Z1198276396 [0,2,0,0,0,0|2,0,0]=4 255 B7R1.2 CN1C=C(N=N1)N Z2177030666 [0,2,0,0,0,0|2,0,0]=4 256 B7R1.2 CN1C=CC(=N1)O Z1343577415 [0,2,0,0,0,0|1,0,0]=3 257 B7R1.2 CN1C=NC(=C1)N Z2472857442 [0,2,0,0,0,0|1,0,0]=3 258 B7R1.2 CN1C=NC(=N1)N Z57466217 [0,2,0,0,0,0|0,0,0]=2 259 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [0,2,0,0,0,0|0,0,1]=3 260 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,2,0,0,0,0|1,0,1]=4 261 B7R1.2 CN1N=NC(=N1)N Z1198158669 [0,2,0,0,0,0|1,0,0]=3 262 B7R1.2 CN1N=NC(=N1)O Z2299388832 [0,2,0,0,0,0|1,0,0]=3 263 B7R1.2 ClC1=NC(=NN1)Br Z1238573163 [0,2,0,0,0,0|0,0,0]=2 264 B7R1.2 NC1=CC(=O)NN1 Z1245635875 [0,2,0,0,0,0|1,0,1]=4 265 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,2,0,0,0,0|2,0,0]=4 266 B7R1.2 NC1=CSC(=N1)N Z190661742 [0,2,0,0,0,0|2,0,0]=4 267 B7R1.2 NC1=CSC(=N1)O Z1033300716 [0,2,0,0,0,0|2,0,0]=4 268 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,2,0,0,0,0|2,0,0]=4 269 B7R1.2 NC1=NC(=S)SS1 Z56761438 [0,2,0,0,0,0|2,0,0]=4 270 B7R1.2 NC1=NC=C(S1)Br Z57032577 [0,2,0,0,0,0|2,0,0]=4 271 B7R1.2 NC1=NC=C(S1)F Z1198184822 [0,2,0,0,0,0|2,0,0]=4 272 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,2,0,0,0,0|1,0,1]=4 273 B7R1.2 NC1=NN=C(N1)O Z1869802420 [0,2,0,0,0,0|0,0,2]=4 274 B7R1.2 NC1=NN=C(S1)Br Z362772468 [0,2,0,0,0,0|1,0,1]=4 275 B7R1.2 NC1=NN=C(S1)N Z56900782 [0,2,0,0,0,0|1,0,1]=4 276 B7R1.2 NC1=NN=C(S1)O Z1824511386 [0,2,0,0,0,0|1,0,1]=4 277 B7R1.2 NC1=NN=C(S1)S Z57032546 [0,2,0,0,0,0|1,0,1]=4 278 B7R1.2 NC1=NNC(=N1)N Z274514098 [0,2,0,0,0,0|0,0,0]=2 279 B7R1.2 NC1=NNC(=N1)S Z56913172 [0,2,0,0,0,0|0,0,0]=2 280 B7R1.2 NC1=NSC(=N1)N Z56755595 [0,2,0,0,0,0|1,0,0]=3 281 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [0,2,0,0,0,0|2,0,0]=4 282 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,2,0,0,0,0|1,0,1]=4 283 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,2,0,0,0,0|1,0,1]=4 284 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,2,0,0,0,0|1,0,1]=4 285 B7R1.2 O=C1N=C(NN1)S Z1723849188 [0,2,0,0,0,0|0,0,1]=3 286 B7R1.2 O=C1NC=C(S1)Cl Z1270529019 [0,2,0,0,0,0|2,0,0]=4 287 B7R1.2 O=C1NNC(=O)N1 Z1255461133 [0,2,0,0,0,0|0,0,2]=4 288 B7R1.4 CC1=C(C=NN1)Cl Z1507502582 [0,2,0,0,0,0|1,0,0]=3 289 B7R1.4 CC1=C(C=NO1)I Z1269175158 [0,2,0,0,0,0|2,0,0]=4 290 B7R1.4 CC1=C(C=NO1)N Z1465461252 [0,2,0,0,0,0|2,0,0]=4 291 B7R1.4 CC1=C(NN=N1)N Z2527856121 [0,2,0,0,0,0|2,0,0]=4 292 B7R1.4 CC1=C(ON=C1)N Z815305382 [0,2,0,0,0,0|2,0,0]=4 293 B7R1.4 CC1=C(SC=N1)N Z1815155510 [0,2,0,0,0,0|2,0,0]=4 294 B7R1.4 CC1=C(SN=C1)N Z3716437679 [0,2,0,0,0,0|2,0,0]=4 295 B7R1.4 CC1=CC=NN1C Z826535916 [0,2,0,0,0,0|1,0,0]=3 296 B7R1.4 CC1=CNC=C1C Z1198162792 [0,2,0,0,0,0|2,0,0]=4 297 B7R1.4 CC1=CON=C1N Z995041844 [0,2,0,0,0,0|2,0,0]=4 298 B7R1.4 CC1=NN=CN1C Z422646574 [0,2,0,0,0,0|0,0,2]=4 299 B7R1.4 CC1=NNC=C1N Z600615694 [0,2,0,0,0,0|1,0,0]=3 300 B7R1.4 CC1=NOC=C1N Z2466617876 [0,2,0,0,0,0|2,0,0]=4 301 B7R1.4 CC1=NON=C1N Z57948408 [0,2,0,0,0,0|2,0,0]=4 302 B7R1.4 CC1=NSC=C1N Z2737427927 [0,2,0,0,0,0|2,0,0]=4 303 B7R1.4 CN1C=CN=C1Br Z959380970 [0,2,0,0,0,0|1,0,0]=3 304 B7R1.4 CN1C=CN=C1N Z2309759326 [0,2,0,0,0,0|1,0,0]=3 305 B7R1.4 CN1C=CN=C1S Z57901905 [0,2,0,0,0,0|1,0,0]=3 306 B7R1.4 CN1C=CNC1=O Z1198329852 [0,2,0,0,0,0|1,0,1]=4 307 B7R1.4 CN1C=COC1=O Z2732441923 [0,2,0,0,0,0|2,0,0]=4 308 B7R1.4 CN1C=NC=C1Cl Z168874650 [0,2,0,0,0,0|1,0,0]=3 309 B7R1.4 CN1C=NN=C1N Z1692788308 [0,2,0,0,0,0|0,0,2]=4 310 B7R1.4 CN1C=NN=C1S Z56922095 [0,2,0,0,0,0|0,0,2]=4 311 B7R1.4 CN1C=NNC1=O Z1526503443 [0,2,0,0,0,0|0,0,1]=3 312 B7R1.4 CN1N=CC=C1N Z415654476 [0,2,0,0,0,0|1,0,0]=3 313 B7R1.4 CN1N=CN=C1N Z56757681 [0,2,0,0,0,0|0,0,0]=2 314 B7R1.4 CN1N=CN=C1S Z1655141058 [0,2,0,0,0,0|0,0,0]=2 315 B7R1.4 CN1N=NC=C1N Z4351247746 [0,2,0,0,0,0|2,0,0]=4 316 B7R1.4 CN1N=NC=C1O Z4561746935 [0,2,0,0,0,0|2,0,0]=4 317 B7R1.4 CN1N=NN=C1Cl Z727906904 [0,2,0,0,0,0|1,0,0]=3 318 B7R1.4 CN1N=NN=C1N Z56791607 [0,2,0,0,0,0|1,0,0]=3 319 B7R1.4 CN1N=NN=C1O Z1492395436 [0,2,0,0,0,0|1,0,0]=3 320 B7R1.4 CN1NC=NC1=O Z1582263737 [0,2,0,0,0,0|0,0,1]=3 321 B7R1.4 CN1NN=NC1=S Z262221718 [0,2,0,0,0,0|1,0,1]=4 322 B7R1.4 CN1SC=CC1=O Z3227502095 [0,2,0,0,0,0|2,0,0]=4 323 B7R1.4 NC1=C(C=NN1)F Z3489104737 [0,2,0,0,0,0|1,0,0]=3 324 B7R1.4 NC1=CNN=C1N Z802599594 [0,2,0,0,0,0|1,0,0]=3 325 B7R1.4 NC1=CNNC1=O Z2216303144 [0,2,0,0,0,0|1,0,1]=4 326 B7R1.4 NC1=NNC=C1Cl Z1741966355 [0,2,0,0,0,0|1,0,0]=3 327 B7R1.4 NC1=NNC=C1I Z1269216483 [0,2,0,0,0,0|1,0,0]=3 328 B7R1.4 NN1C=NN=C1S Z56871613 [0,2,0,0,0,0|0,0,2]=4 329 B7R1.4 OC1=NSC=C1Br Z3243456041 [0,2,0,0,0,0|2,0,0]=4