0 B5R0.1 C/C(=C\C#N)/[O-] Z90662985 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C/C(=N/C#N)/N Z2573128414 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C/C=C/C(=O)O Z104476026 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 C=C(C)CCN Z1203582475 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.1 C=CCC(C)N Z1269638561 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC(=CC#N)C Z851014248 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 CC(=CCN)C Z1827897919 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 CC(=O)CCO Z906206900 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.1 CC(C)CC#N Z104473272 [0,0,0,0,0,0|1,0,3]=4 9 B5R0.1 CC(C)CCO Z104473558 [0,0,0,0,0,0|0,0,4]=4 10 B5R0.1 CC(C)N=C=S Z56964589 [0,0,0,0,0,0|1,1,2]=4 11 B5R0.1 CC(C)NC=O Z1201617634 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.1 CN(C)CCF Z5487577684 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CN(C)CCO Z104473552 [0,0,0,0,0,0|1,0,3]=4 14 B5R0.1 CN(C)CCS Z362025514 [0,0,0,0,0,0|1,1,2]=4 15 B5R0.1 CNCC(C)C Z951367674 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 N=C(N)NC=O Z1203578554 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 NCC=C(F)F Z4511316967 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 C=CC(=C)C Z104474660 [1,0,0,0,0,0|0,0,1]=2 21 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 C=CC(C)N Z1446855743 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CC(=O)NN Z58981787 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CC(C)NO Z1198161074 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 CN(C)C#N Z1255394988 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CN(C)N=O Z1255485177 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 ClC=C(Cl)Cl Z104473870 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.1 CO/C(=N/C#N)/C Z445995030 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,1,0,0,0,0|0,0,2]=3 37 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,1,0,0,0,0|0,0,0]=1 38 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,1,0,0,0,0|0,0,0]=1 39 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.2 CC(=O)CC(C)N Z57329385 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.2 CC(C)CC(=O)N Z33546511 [0,1,0,0,0,0|0,0,2]=3 45 B6R0.2 CC(C)CC(=O)O Z104474910 [0,1,0,0,0,0|0,0,2]=3 46 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.2 CC(C)NC(=O)N Z56887677 [0,1,0,0,0,0|1,0,1]=3 48 B6R0.2 CC(C)NC(=S)N Z56979374 [0,1,0,0,0,0|1,1,1]=4 49 B6R0.2 CC(N)CC(=O)N Z594220690 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.2 CC(N)CC(=O)O Z147647144 [0,1,0,0,0,0|1,0,2]=4 51 B6R0.2 CN(C)CC(=O)N Z54750057 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.2 CN(C)CC(=O)O Z235580496 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 C#CC(=O)N(C)C Z1509741471 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,1,0,0,0,0|1,0,1]=3 64 B6R0.3 CC(C)C(=O)NN Z56926537 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 CC(C)N(C)C=O Z1258520821 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.3 CN(C)C(=N)CN Z220638406 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.3 CN(C)C(=O)CN Z54751082 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 CN(C)C(=O)CO Z431952018 [0,1,0,0,0,0|1,0,2]=4 69 B6R0.3 CNC(=N)N(C)C Z3380814034 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.3 COC(=N)C(C)C Z2944341356 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.4 C=CCNC(=O)C Z32064466 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.4 C=CCNC(C)C Z607822478 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.4 C=COCC(C)C Z916978390 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,1,0,0,0,0|2,1,0]=4 77 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.5 CC(C)(N)/C=C/Cl Z2827897660 [0,1,0,0,0,0|1,0,1]=3 79 B6R1.2 CC1=CC=CN1 Z594218440 [0,0,0,1,0,0|2,0,0]=3 80 B6R1.2 CC1=CC=CO1 Z104472456 [0,0,0,1,0,0|2,0,0]=3 81 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,1,0,0|1,0,1]=3 82 B6R1.2 CC1=CN=CN1 Z1945707502 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 CC1=CN=CO1 Z1198180653 [0,0,0,1,0,0|2,0,1]=4 84 B6R1.2 CC1=CNC=C1 Z1203730789 [0,0,0,1,0,0|1,0,1]=3 85 B6R1.2 CC1=CNN=C1 Z600419582 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.2 CC1=CNN=N1 Z1255358215 [0,0,0,1,0,0|3,0,0]=4 87 B6R1.2 CC1=COC=N1 Z1198313432 [0,0,0,1,0,0|1,0,2]=4 88 B6R1.2 CC1=NC=CN1 Z104494990 [0,0,0,1,0,0|3,0,0]=4 89 B6R1.2 CC1=NNC=C1 Z450469310 [0,0,0,1,0,0|2,0,0]=3 90 B6R1.2 CC1=NNC=N1 Z939944658 [0,0,0,1,0,0|3,0,0]=4 91 B6R1.2 CN1C=CC=C1 Z57127895 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.2 CN1C=CC=N1 Z336081430 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.2 CN1C=CN=C1 Z104506032 [0,0,0,1,0,0|2,0,1]=4 94 B6R1.2 CN1C=CN=N1 Z1198221873 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.2 ClC1=NNC=C1 Z1255493581 [0,0,0,1,0,0|3,0,0]=4 96 B6R1.2 NC1=CC=NO1 Z415654518 [0,0,0,1,0,0|3,0,0]=4 97 B6R1.2 NC1=CC=NS1 Z2568737642 [0,0,0,1,0,0|3,0,0]=4 98 B6R1.2 NC1=CSC=C1 Z1962138158 [0,0,0,1,0,0|1,1,1]=4 99 B6R1.2 NC1=NNC=C1 Z240126818 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,1,0,0|2,0,1]=4 102 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,1,0,0|3,0,0]=4 103 B6R1.2 O=C1C=CNN1 Z1198154338 [0,0,0,1,0,0|3,0,0]=4 104 B6R1.2 O=C1C=CSN1 Z1741980421 [0,0,0,1,0,0|2,1,0]=4 105 B6R1.2 OC1=NOC=C1 Z1255501207 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.3 O=C=NC1CC1 Z316172632 [0,0,0,1,0,0|1,0,2]=4 108 B6R1.3 O=CCC1CC1 Z905066058 [0,0,0,1,0,0|0,0,2]=3 109 B6R1.8 CC1CC1C=O Z1079442440 [0,0,0,1,0,0|0,0,2]=3 110 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,0,0,1,0,0|0,0,2]=3 111 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,0,0,1,0,0|0,0,2]=3 112 B6R1.8 O=CC1CC1Cl Z1262480603 [0,0,0,1,0,0|1,0,2]=4 113 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [0,0,0,1,0,0|1,0,2]=4 114 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|0,0,2]=4 115 B3R0.1 I/C=C/I Z2417817184 [2,0,0,0,0,0|2,0,0]=4 116 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|1,0,0]=3 117 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|1,0,0]=3 118 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|1,0,0]=3 119 B3R0.2 NC(=O)N Z104473900 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.3 C/N=C(\C)/NC Z1431002714 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.3 C=CC(N)CO Z2146514374 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|1,0,0]=3 123 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 124 B5R0.3 OC/C(=C/I)/I Z4691071538 [1,1,0,0,0,0|2,0,0]=4 125 B5R0.4 C=CC(C)(C)N Z2940715337 [1,1,0,0,0,0|0,0,1]=3 126 B5R0.4 C=CS(=O)(=O)C Z608051272 [1,1,0,0,0,0|2,0,0]=4 127 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [1,1,0,0,0,0|2,0,0]=4 129 B5R0.5 CC(=N)N(C)C Z1428159819 [1,1,0,0,0,0|1,0,1]=4 130 B5R0.5 CC(=O)C(=O)O Z104495240 [1,1,0,0,0,0|1,0,0]=3 131 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.5 CC(C)C(=N)N Z381357616 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|0,0,1]=3 135 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|0,0,1]=3 136 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|1,0,1]=4 143 B5R0.5 CN(C)C(=N)N Z1839480548 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.5 CN(C)C(=S)N Z56347524 [1,1,0,0,0,0|1,1,0]=4 145 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|1,0,1]=4 147 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.2 C/C=C/CCN Z1268152372 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.2 C/C=C/OCC Z281777810 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.2 C=C/C=C/CN Z3270208113 [1,1,0,0,0,0|1,0,0]=3 152 B5R0.2 CCCCC=O Z104472992 [1,1,0,0,0,0|0,0,2]=4 153 B5R0.2 NC/C=C/CN Z2235386837 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.2 OC/C=C/CO Z237581088 [1,1,0,0,0,0|0,0,2]=4 155 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,2,0,0,0,0|2,0,0]=4 156 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,2,0,0,0,0|1,0,1]=4 158 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,2,0,0,0,0|1,0,1]=4 159 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,2,0,0,0,0|0,0,2]=4 160 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,2,0,0,0,0|0,0,0]=2 161 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,2,0,0,0,0|1,0,1]=4 162 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,2,0,0,0,0|0,0,2]=4 163 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,2,0,0,0,0|1,0,1]=4 166 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,2,0,0,0,0|0,0,2]=4 168 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,2,0,0,0,0|1,0,0]=3 169 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|0,0,2]=4 170 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.5 C/C(=C\CO)/C(C)C Z1896171007 [0,2,0,0,0,0|0,0,2]=4 174 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.12 O=CNC(CO)CO Z1259117052 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,2,0,0,0,0|0,0,2]=4 177 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,2,0,0,0,0|0,0,2]=4 178 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,2,0,0,0,0|0,0,2]=4 179 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,2,0,0,0,0|0,0,2]=4 180 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,2,0,0,0,0|0,0,2]=4 181 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,2,0,0,0,0|0,0,2]=4 182 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,2,0,0,0,0|0,0,2]=4 183 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,2,0,0,0,0|1,0,1]=4 185 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,2,0,0,0,0|1,0,1]=4 186 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,2,0,0,0,0|0,0,0]=2 187 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,2,0,0,0,0|0,0,2]=4 192 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,2,0,0,0,0|0,0,2]=4 193 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,2,0,0,0,0|0,0,2]=4 194 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,2,0,0,0,0|0,0,2]=4 195 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,2,0,0,0,0|0,0,2]=4 197 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,2,0,0,0,0|0,0,2]=4 198 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,2,0,0,0,0|0,0,2]=4 199 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,2,0,0,0,0|0,0,2]=4 200 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.14 C=CC(=O)C(C)(C)C Z940201244 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.4 CC(C)C/C=C/CO Z1813145997 [0,2,0,0,0,0|0,0,2]=4 204 B7R0.6 CC(=NNC(=S)N)C Z57128338 [0,2,0,0,0,0|1,1,0]=4 205 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,2,0,0,0,0|1,0,1]=4 206 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,2,0,0,0,0|0,0,2]=4 208 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,2,0,0,0,0|0,0,2]=4 209 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,2,0,0,0,0|0,0,2]=4 210 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,2,0,0,0,0|0,0,2]=4 211 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,2,0,0,0,0|0,0,2]=4 212 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,2,0,0,0,0|0,0,2]=4 213 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,2,0,0,0,0|0,0,2]=4 214 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,2,0,0,0,0|1,0,1]=4 215 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,2,0,0,0,0|1,0,1]=4 216 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,2,0,0,0,0|2,0,0]=4 217 B5R1.1 C1=CCNC1 Z2306624771 [1,0,0,1,0,0|1,0,1]=4 218 B5R1.1 C1=CNC=C1 Z104479036 [1,0,0,1,0,0|1,0,1]=4 219 B5R1.1 C1=CNN=C1 Z104507728 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.1 CCC1=CC=CO1 Z640169748 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.1 CCC1=NNC=C1 Z1238571110 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.1 CNC1=NOC=C1 Z2489381644 [0,1,0,1,0,0|1,0,1]=4 223 B7R1.1 COC1=NNC=C1 Z2130657375 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.1 COC1=NSC=C1 Z1198333966 [0,1,0,1,0,0|1,1,0]=4 225 B7R1.1 NCC1=CC=CN1 Z976631692 [0,1,0,1,0,0|2,0,0]=4 226 B7R1.1 NCC1=CC=CS1 Z104485908 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.1 NCC1=CC=NO1 Z1964347782 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.1 NCC1=CC=NS1 Z2310716170 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.1 NCC1=CNC=C1 Z1203586194 [0,1,0,1,0,0|1,0,1]=4 230 B7R1.1 NCC1=COC=C1 Z406680098 [0,1,0,1,0,0|0,0,2]=4 231 B7R1.1 NCC1=NOC=C1 Z802903300 [0,1,0,1,0,0|1,0,1]=4 232 B7R1.1 NCC1C=CCC1 Z2768196818 [0,1,0,1,0,0|1,0,1]=4 233 B7R1.1 OCC1=CC=CO1 Z104472794 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.1 OCC1=CC=CS1 Z104478586 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.1 OCC1=COC=C1 Z397587426 [0,1,0,1,0,0|0,0,2]=4 236 B7R1.1 OCC1=NOC=C1 Z875021162 [0,1,0,1,0,0|1,0,1]=4 237 B7R1.2 CC1=CC(=NN1)C Z50145988 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.2 CC1=CC(=NO1)N Z104503828 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.2 CC1=CC(=NS1)N Z1198165856 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.2 CC1=CC=C(S1)Br Z1255383262 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.2 CC1=CN=C(N1)O Z2630875693 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.2 CC1=CN=C(O1)N Z994267654 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.2 CC1=CN=C(S1)N Z104500072 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.2 CC1=CNC(=N1)C Z217301646 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.2 CC1=CNC(=N1)N Z2515238565 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.2 CC1=CNC(=N1)S Z1198163268 [0,1,0,1,0,0|1,1,0]=4 248 B7R1.2 CC1=COC(=N1)S Z1416179155 [0,1,0,1,0,0|1,1,0]=4 249 B7R1.2 CC1=CSC(=N1)N Z48847548 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.2 CC1=CSC(=N1)S Z203045926 [0,1,0,1,0,0|1,1,0]=4 251 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,1,0,1,0,0|1,0,0]=3 252 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.2 CC1=NC=C(S1)N Z951517342 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.2 CC1=NNC(=C1)N Z55423088 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,1,0,1,0,0|1,0,0]=3 256 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.2 CC1=NOC(=C1)N Z118429566 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.2 CC1=NSC(=C1)N Z204042038 [0,1,0,1,0,0|1,1,0]=4 259 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|0,0,2]=4 260 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,1,0,0|1,0,1]=4 261 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,1,0,0|1,0,1]=4 262 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|1,0,1]=4 263 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,1,0,0|0,0,2]=4 264 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|1,0,1]=4 268 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,1,0,1,0,0|1,0,0]=3 270 B7R1.2 NC1=CC(=O)NN1 Z1245635875 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [0,1,0,1,0,0|1,0,0]=3 275 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.2 O=C1CSC(=S)N1 Z57127468 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.2 O=C1NC=C(S1)Cl Z1270529019 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.3 CC1=CCCNC1 Z2143573194 [0,1,0,1,0,0|1,0,1]=4 286 B7R1.3 CC1=CN=CC=C1 Z104475010 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.3 CC1=CN=NC=C1 Z1255398931 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.3 CC1=NC=CC=C1 Z104472800 [0,1,0,1,0,0|1,0,1]=4 289 B7R1.3 CC1=NC=CN=C1 Z415628164 [0,1,0,1,0,0|1,0,1]=4 290 B7R1.3 CC1=NN=CC=C1 Z1245648324 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.3 O=C1C=CCCC1 Z295197140 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.4 CC1=C(C=CS1)Br Z1201624904 [0,1,0,1,0,0|1,1,0]=4 294 B7R1.4 CC1=C(C=NN1)Cl Z1507502582 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.4 CC1=C(C=NO1)I Z1269175158 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.4 CC1=C(C=NO1)N Z1465461252 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.4 CC1=C(CNC1)C Z1203817906 [0,1,0,1,0,0|1,0,1]=4 298 B7R1.4 CC1=CC=NN1C Z826535916 [0,1,0,1,0,0|1,0,0]=3 299 B7R1.4 CC1=CNC=C1C Z1198162792 [0,1,0,1,0,0|1,0,1]=4 300 B7R1.4 CC1=CSC=C1N Z1492796718 [0,1,0,1,0,0|0,1,1]=4 301 B7R1.4 CC1=NNC=C1N Z600615694 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.4 CC1=NOC=C1N Z2466617876 [0,1,0,1,0,0|1,0,1]=4 303 B7R1.4 CC1=NSC=C1N Z2737427927 [0,1,0,1,0,0|1,1,0]=4 304 B7R1.4 CN1N=CC=C1N Z415654476 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.4 CN1SC=CC1=O Z3227502095 [0,1,0,1,0,0|1,1,0]=4 306 B7R1.6 O=CCC1CCC1 Z1198184444 [0,1,0,1,0,0|0,0,2]=4 307 B7R1.6 O=CCC1COC1 Z1511884358 [0,1,0,1,0,0|0,0,2]=4 308 B7R1.9 CCC1CC1C=O Z1513989944 [0,1,0,1,0,0|0,0,2]=4 309 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,1,0,1,0,0|0,0,2]=4 310 B7R1.10 C=C1CC(C1)C=O Z1486007751 [0,1,0,1,0,0|0,0,2]=4 311 B7R1.11 CC1C(C1C=O)Cl Z1262487267 [0,1,0,1,0,0|0,0,2]=4 312 B7R1.11 C[C@H]1C([C@@H]1C)C=O Z3081818776 [0,1,0,1,0,0|0,0,2]=4 313 B7R1.21 CC1(CC1)CC=O Z3247248393 [0,1,0,1,0,0|0,0,2]=4 314 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,1,0,1,0,0|0,0,2]=4 315 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,1,0,1,0,0|0,0,2]=4 316 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,1,0,1,0,0|0,0,2]=4 317 B7R1.12 CC1CC1C(=O)N Z33546780 [0,1,0,1,0,0|0,0,2]=4 318 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,1,0,1,0,0|0,0,2]=4 319 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,1,0,1,0,0|0,0,2]=4 320 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,1,0,1,0,0|0,0,2]=4 321 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,1,0,1,0,0|0,0,2]=4 322 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,1,0,1,0,0|0,0,2]=4 323 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,1,0,1,0,0|0,0,2]=4 324 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,1,0,1,0,0|1,0,1]=4 325 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,1,0,1,0,0|0,0,2]=4 326 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,1,0,0|0,0,2]=4 327 B7R1.17 CC1(CNC1=O)C Z425427928 [0,1,0,1,0,0|0,0,2]=4 328 B7R1.23 CC1(CC1C=O)Br Z1513978436 [0,1,0,1,0,0|0,0,2]=4 329 B7R1.23 CC1(CC1C=O)C Z1511745659 [0,1,0,1,0,0|0,0,2]=4 330 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [0,1,0,1,0,0|0,0,2]=4 331 B7R1.23 CC1(OC1C=O)C Z1511743636 [0,1,0,1,0,0|0,0,2]=4 332 B7R1.7 O=C/C=C/C1CC1 Z1318198760 [0,1,0,1,0,0|0,0,1]=3 333 B7R1.7 O=CCCC1CC1 Z1233208002 [0,1,0,1,0,0|0,0,2]=4 334 B7R1.14 CC1(C=CCN1)C Z3477416732 [0,1,0,1,0,0|1,0,1]=4