0 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.2 CC(C)NC(=O)N Z56887677 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.2 CC(N)CC(=O)N Z594220690 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 C=CCC(C)N Z1269638561 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CC(C)NC=O Z1201617634 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 N=C(N)NC=O Z1203578554 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.2 C=CC(=O)NC(=O)N Z837062938 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,1,0,0,0,0|0,0,2]=3 49 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.2 CC1=CC(=NN1)C Z50145988 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.2 CC1=CC=C(S1)Br Z1255383262 [0,0,0,1,0,0|1,1,1]=4 67 B7R1.2 CC1=CN=C(N1)O Z2630875693 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.2 CC1=CN=C(O1)N Z994267654 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.2 CC1=CN=C(S1)N Z104500072 [0,0,0,1,0,0|2,1,0]=4 70 B7R1.2 CC1=CNC(=N1)C Z217301646 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.2 CC1=CNC(=N1)N Z2515238565 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.2 CC1=CNC(=N1)S Z1198163268 [0,0,0,1,0,0|2,1,0]=4 73 B7R1.2 CC1=COC(=N1)S Z1416179155 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.2 CC1=CSC(=N1)N Z48847548 [0,0,0,1,0,0|2,1,0]=4 75 B7R1.2 CC1=CSC(=N1)S Z203045926 [0,0,0,1,0,0|2,1,0]=4 76 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.2 CC1=NC=C(S1)N Z951517342 [0,0,0,1,0,0|2,1,0]=4 79 B7R1.2 CC1=NN=C(O1)N Z56957510 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.2 CC1=NN=C(O1)S Z55879328 [0,0,0,1,0,0|2,1,0]=4 81 B7R1.2 CC1=NNC(=N1)C Z57161895 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,1,0,0|1,0,2]=4 86 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,0,0,1,0,0|0,0,2]=3 87 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,0,0,1,0,0|1,0,0]=2 99 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.2 O=C1CSC(=S)N1 Z57127468 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.2 O=C1NC=C(S1)Cl Z1270529019 [0,0,0,1,0,0|2,1,0]=4 105 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.16 C=C1CC(C1)(C)N Z5611324020 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,0,0,1,0,0|1,0,2]=4 109 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,0,0,1,0,0|1,0,2]=4 110 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,0,0,0,1,0|2,0,0]=3 111 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [0,0,0,0,1,0|3,0,0]=4 112 B5R0.5 CC(=N)N(C)C Z1428159819 [0,0,0,0,1,0|2,0,1]=4 113 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,1,0|2,0,0]=3 114 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,0,0,1,0|1,0,1]=3 115 B5R0.5 CC(Br)C(=O)O Z57127555 [0,0,0,0,1,0|2,0,1]=4 116 B5R0.5 CC(C)C(=O)N Z57046209 [0,0,0,0,1,0|1,0,2]=4 117 B5R0.5 CC(C)C(=O)O Z104473380 [0,0,0,0,1,0|1,0,2]=4 118 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,0,0,0,1,0|2,0,1]=4 119 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,0,0,0,1,0|2,0,1]=4 120 B5R0.5 CC(N)C(=O)N Z54749436 [0,0,0,0,1,0|2,0,1]=4 121 B5R0.5 CC(N)C(=O)O Z57396987 [0,0,0,0,1,0|2,0,1]=4 122 B5R0.5 CC(O)C(=O)N Z57206008 [0,0,0,0,1,0|2,0,1]=4 123 B5R0.5 CC(S)C(=O)O Z104477082 [0,0,0,0,1,0|2,0,1]=4 124 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,0,0,0,1,0|2,0,1]=4 125 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,0,0,0,1,0|2,0,1]=4 126 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,0,0,0,1,0|2,0,1]=4 127 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,1,0|3,0,0]=4 128 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,1|3,0,0]=4 129 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,1|3,0,0]=4 130 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,0,1|2,0,1]=4 131 B7R0.6 CC(=O)NNC(=N)S Z89271887 [0,0,0,0,0,1|3,0,0]=4 132 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,0,0,0,0,1|2,0,0]=3 133 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,0,0,0,0,1|1,0,2]=4 134 B4R0.1 C=CC(=C)C Z104474660 [2,0,0,0,0,0|0,0,1]=3 135 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|1,0,0]=3 136 B4R0.1 C=CC(C)N Z1446855743 [2,0,0,0,0,0|1,0,1]=4 137 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,0]=3 138 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,1]=4 142 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.1 CNC(=N)C Z2146515751 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.1 COC(=N)N Z1741976783 [2,0,0,0,0,0|2,0,0]=4 147 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.1 C#CC(=O)OCC Z104478880 [1,1,0,0,0,0|0,0,2]=4 149 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.1 CCOC(=N)CC Z3033961910 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|0,0,1]=3 155 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|0,0,1]=3 156 B6R0.1 CCOC(=O)NN Z104478458 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|2,0,0]=4 159 B6R0.1 CONC(=O)CCl Z234816732 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.3 COC(C)C(=O)C Z447898138 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.4 C=CCNC(=O)C Z32064466 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.4 C=CCNC(=O)N Z56904662 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.4 C=COCC(C)C Z916978390 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|0,0,1]=3 169 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,1,0,0,1,0|0,0,2]=4 180 B8R0.9 CC(=O)NNC(=O)CCl Z56347435 [0,1,0,0,0,1|2,0,0]=4 181 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,1,0,0,0,1|2,0,0]=4 182 B8R0.9 CNC(=S)NNC(=O)C Z32335546 [0,1,0,0,0,1|2,0,0]=4 183 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,0,0,0,1|2,0,0]=4 184 B8R0.2 COC(=O)C(C)C(=O)C Z839827758 [0,2,0,0,0,0|2,0,0]=4 185 B8R0.5 CC(C)OC(=O)CCN Z147652234 [0,2,0,0,0,0|0,0,2]=4 186 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.5 COCC(=O)OC(C)C Z53836826 [0,2,0,0,0,0|0,0,2]=4 188 B8R0.19 C=CC(=O)NC(=O)NC Z235362893 [0,2,0,0,0,0|2,0,0]=4 189 B8R0.19 CNC(=O)NC(=O)CCl Z56895734 [0,2,0,0,0,0|2,0,0]=4 190 B8R0.19 COC(=O)NC(=O)CCl Z57014427 [0,2,0,0,0,0|2,0,0]=4 191 B8R0.19 COC(=O)NC(=O)CI Z1250132865 [0,2,0,0,0,0|2,0,0]=4 192 B8R0.24 CC(C)(C)OC(=O)CCl Z56915921 [0,2,0,0,0,0|0,0,2]=4 193 B8R0.24 CC(C)(C)OC(=O)CN Z1268152400 [0,2,0,0,0,0|0,0,2]=4 194 B8R0.24 CC(C)(C)OC(=O)CO Z431952234 [0,2,0,0,0,0|0,0,2]=4 195 B8R0.24 CNC(=O)OC(C)(C)C Z558479240 [0,2,0,0,0,0|0,0,2]=4 196 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [0,2,0,0,0,0|0,0,2]=4 197 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,2,0,0,0,0|2,0,0]=4 198 B6R1.2 C=C1CCNC1 Z3019986853 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.2 CC1=CC=CN1 Z594218440 [1,0,0,1,0,0|1,0,1]=4 200 B6R1.2 CC1=CC=CO1 Z104472456 [1,0,0,1,0,0|0,0,1]=3 201 B6R1.2 CC1=CCNC1 Z1203734447 [1,0,0,1,0,0|2,0,0]=4 202 B6R1.2 CC1=CN=CN1 Z1945707502 [1,0,0,1,0,0|2,0,0]=4 203 B6R1.2 CC1=CN=CO1 Z1198180653 [1,0,0,1,0,0|1,0,0]=3 204 B6R1.2 CC1=CNC=C1 Z1203730789 [1,0,0,1,0,0|2,0,0]=4 205 B6R1.2 CC1=COC=N1 Z1198313432 [1,0,0,1,0,0|1,0,1]=4 206 B6R1.2 CC1=NC=CN1 Z104494990 [1,0,0,1,0,0|2,0,0]=4 207 B6R1.2 NC1=NC=CO1 Z939904646 [1,0,0,1,0,0|2,0,0]=4 208 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|0,0,2]=4 209 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,1]=4 210 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|2,0,0]=4 211 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|2,0,0]=4 213 B6R1.2 O=C1NC=CN1 Z1198148260 [1,0,0,1,0,0|2,0,0]=4 214 B6R1.2 O=C1NC=CS1 Z445210514 [1,0,0,1,0,0|1,1,0]=4 215 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|1,0,1]=4 216 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.3 CC1=CC=C(C=C1)C Z199056432 [0,0,0,1,0,1|2,0,0]=4 218 B8R1.3 CC1=CNC(=O)N=C1 Z1098236277 [0,0,0,1,0,1|2,0,0]=4 219 B8R1.3 CC1=NNC(=O)C=C1 Z1201023044 [0,0,0,1,0,1|1,0,1]=4 220 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,0,0,1,0,1|1,0,1]=4 221 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,0,0,1,0,1|2,0,0]=4 222 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,0,0,1,0,1|2,0,0]=4 223 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,1,0,1|2,0,0]=4 224 B8R1.1 CC1=CC=C(N1)C=O Z1198176668 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.1 CC1=CC=C(O1)C#N Z56963430 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.1 CC1=CC=C(O1)C=O Z56899216 [0,1,0,1,0,0|0,0,1]=3 227 B8R1.1 CC1=CC=C(O1)CO Z335244864 [0,1,0,1,0,0|1,0,0]=3 228 B8R1.1 CC1=CC=C(S1)C=O Z104478048 [0,1,0,1,0,0|0,1,1]=4 229 B8R1.1 CC1=CC=C(S1)CO Z381678056 [0,1,0,1,0,0|1,1,0]=4 230 B8R1.1 CC1=CN=C(O1)C=O Z1198163538 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.1 CC1=CN=C(O1)CN Z1198236438 [0,1,0,1,0,0|1,0,0]=3 232 B8R1.1 CC1=CN=C(O1)CO Z1198313418 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.1 CC1=CN=C(S1)C=O Z1037606518 [0,1,0,1,0,0|1,1,0]=4 234 B8R1.1 CC1=CN=C(S1)CN Z994267440 [0,1,0,1,0,0|1,1,0]=4 235 B8R1.1 CC1=CNC(=N1)C=O Z1198166211 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.1 CC1=CNC(=N1)CO Z3015789123 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.1 CC1=COC(=C1)C=O Z1255374618 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.1 CC1=COC(=N1)C=O Z1198279988 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.1 CC1=CSC(=C1)C=O Z1255423820 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.1 CC1=CSC(=C1)CN Z2235810231 [0,1,0,1,0,0|1,1,0]=4 241 B8R1.1 CC1=CSC(=N1)C=O Z1037606426 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.1 CC1=CSC(=N1)CO Z1037609598 [0,1,0,1,0,0|1,1,0]=4 243 B8R1.1 CC1=NC(=CS1)CCl Z56943451 [0,1,0,1,0,0|1,1,0]=4 244 B8R1.1 CC1=NC(=CS1)CN Z54749838 [0,1,0,1,0,0|1,1,0]=4 245 B8R1.1 CC1=NC=C(O1)C=O Z1198169811 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.1 CC1=NC=C(S1)CO Z608610310 [0,1,0,1,0,0|1,1,0]=4 247 B8R1.1 CC1=NN=C(O1)CCl Z56347521 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.1 CC1=NN=C(O1)CO Z431951972 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.1 CCC1=CN=C(O1)N Z994289172 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.1 CCC1=CSC(=O)N1 Z916925862 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.1 CNC1=NC(=CS1)C Z48860943 [0,1,0,1,0,0|1,1,0]=4 253 B8R1.1 CNC1=NC(=O)CS1 Z1203731442 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.1 CNC1=NC=C(S1)C Z3333486563 [0,1,0,1,0,0|1,1,0]=4 255 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.1 CSC1=NC(=O)CN1 Z2602503120 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.1 NCC1=CSC(=O)N1 Z1434233458 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,1,0,0|0,0,2]=4 259 B8R1.1 O=CC1=CC=C(O1)Br Z57041993 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.1 O=CC1=CC=C(O1)Cl Z57834244 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.1 O=CC1=CC=C(O1)I Z57313911 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.4 CC1=CC(=O)NC=C1 Z1065655286 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.4 CC1=CC=CC(=C1)C Z199056430 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.4 CC1=CC=CC(=N1)C Z104472820 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.4 CC1=NC(=O)C=CN1 Z1269638492 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.4 CC1=NC(=O)NC=C1 Z1065584884 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,1,0,0|0,0,2]=4 270 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,1,0,1,0,0|1,0,0]=3 276 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.18 CC1=C(NC(=O)N1)C Z147309784 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.18 CC1=C(OC(=N1)N)C Z85932429 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.18 CC1=C(OC(=N1)S)C Z234904536 [0,1,0,1,0,0|1,1,0]=4 280 B8R1.18 CC1=C(SC(=O)N1)C Z409413538 [0,1,0,1,0,0|1,1,0]=4 281 B8R1.18 CC1=CC(=C(S1)Br)C Z1255397918 [0,1,0,1,0,0|1,1,0]=4 282 B8R1.18 CC1=CC(=C(S1)C)Br Z1198655269 [0,1,0,1,0,0|1,1,0]=4 283 B8R1.18 CC1=CC(=C(S1)C)I Z1347205942 [0,1,0,1,0,0|1,1,0]=4 284 B8R1.18 CC1=CC(=C(S1)C)N Z3013884071 [0,1,0,1,0,0|1,1,0]=4 285 B8R1.18 CC1=CN(C(=O)N1)C Z1486021538 [0,1,0,1,0,0|1,0,0]=3 286 B8R1.18 CC1=NC(=C(N1)C)C Z2785909774 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.18 CC1=NC(=C(S1)N)C Z951281412 [0,1,0,1,0,0|1,1,0]=4 288 B8R1.18 CC1=NN(C(=O)C1)C Z50146885 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,1,0,0|0,0,2]=4 291 B8R1.18 CN1CC(=NC1=O)N Z1203653661 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.50 CC1=CNC(=C1C)C Z1162450215 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.50 O=C1CCC(=O)N1O Z56933833 [0,1,0,1,0,0|2,0,0]=4 299 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,0,2|2,0,0]=4