0 B5R0.2 C#CCCCO HY-W010642 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 CCCSSC HY-N7436 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.2 CCSCCCl HY-W199190 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.2 CC\C=C/CO HY-W030347 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 NCCCCO HY-W002041 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 [2H]OCCO[2H] HY-Y0338S [0,0,0,0,0,0|3,1,0]=4 6 B5R0.2 [N-]=[N+]=NCCO HY-138461 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.2 BrCCCBr HY-Y1806 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.2 C#CCCO HY-W001947 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.2 C=CCCN HY-W019321 [1,0,0,0,0,0|0,0,2]=3 10 B4R0.2 C=CCSC HY-128447 [1,0,0,0,0,0|0,0,2]=3 11 B4R0.2 CNCCO HY-Y1783 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 COCCO HY-139415 [1,0,0,0,0,0|1,1,0]=3 13 B4R0.2 CSSSC HY-128454 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.2 NCCCO HY-Y0139 [1,0,0,0,0,0|0,1,0]=2 15 B4R0.2 O=CCCO HY-N8461 [1,0,0,0,0,0|1,1,1]=4 16 B4R0.2 OCCCBr HY-W007337 [1,0,0,0,0,0|1,1,0]=3 17 B4R0.2 OCCCO HY-W017758 [1,0,0,0,0,0|1,1,0]=3 18 B4R0.2 OCCCS HY-W090210 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.1 CCOC(=O)CN HY-76204 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.1 COC(=O)CCN HY-W007648 [0,1,0,0,0,0|0,1,1]=3 21 B6R0.1 COC(=O)CCO HY-42569 [0,1,0,0,0,0|1,1,1]=4 22 B6R0.4 CC(C)CCCO HY-W007511 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.4 CCCCB(O)O HY-W000932 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.4 CCCCC(N)=O HY-W144037 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.4 CN(C)CCCCl HY-W018789 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.4 CSCCC(=O)O HY-101401 [0,1,0,0,0,0|1,0,1]=3 27 B6R0.4 N=C(N)SCCN HY-131929 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.4 NCCCC(=O)O HY-N0067 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.4 NCCCC(=O)O HY-N0067R [0,1,0,0,0,0|2,0,0]=3 30 B6R0.6 BrCCOCCBr HY-W013458 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.6 C#CCOCCN HY-116069 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.6 C#CCOCCO HY-43614 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.6 C(CO)=CCCC HY-W015936 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.6 C=CCCCCO HY-W012995 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.6 C=CCSSSC HY-134900 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.6 CCCCCCO HY-W032022 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.6 CC\C=C/CCO HY-W010607 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.6 ClCCNCCCl HY-Y0881 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.6 NCCCCCN HY-W016750 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.6 NCCCCCO HY-W012971 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.6 NCCOCCN HY-140208 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.6 NCCOCCN HY-140648 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.6 OCCOCCBr HY-141213 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.6 OCCOCCO HY-B1952 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.6 SCCOCCS HY-145485 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.6 [N-]=[N+]=NCCCN HY-151862 [0,1,0,0,0,0|2,0,0]=3 47 B6R1.1 C1CSCCN1 HY-W007359 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.1 C1CSCSC1 HY-W001189 [0,0,0,1,0,0|1,0,0]=2 49 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,1,0,0|2,0,0]=3 50 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,0,0,1,0,0|2,0,0]=3 51 B6R1.2 N=C1CCCS1 HY-W015798 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.2 O=C1CCOC1 HY-33900 [0,0,0,1,0,0|1,1,1]=4 53 B6R1.2 O=C1CCSC1 HY-W010594 [0,0,0,1,0,0|1,0,1]=3 54 B6R1.2 O=C1NCCN1 HY-W031536 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,0,0,1,0,0|1,1,0]=3 56 B6R1.2 SC1=NCCN1 HY-W010593 [0,0,0,1,0,0|3,0,0]=4 57 B6R1.3 COC[C@H]1CO1 HY-Z1630 [0,0,0,1,0,0|1,1,0]=3 58 B6R1.6 OCC1CNC1 HY-21336 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.6 OCC1COC1 HY-W004925 [0,0,0,1,0,0|1,1,0]=3 60 B3R0.1 CNNC HY-W460407 [2,0,0,0,0,0|2,0,0]=4 61 B3R0.1 CNOC HY-41074 [2,0,0,0,0,0|1,1,0]=4 62 B3R0.1 NCCO HY-W035903 [2,0,0,0,0,0|0,1,0]=3 63 B3R0.1 NCCS HY-77591 [2,0,0,0,0,0|0,0,0]=2 64 B3R0.1 OCCO HY-Y0338 [2,0,0,0,0,0|1,1,0]=4 65 B3R0.1 OCCO HY-Y0873A [2,0,0,0,0,0|1,1,0]=4 66 B3R0.1 OCCO HY-Y0873A1 [2,0,0,0,0,0|1,1,0]=4 67 B3R0.1 OCCO HY-Y0873B [2,0,0,0,0,0|1,1,0]=4 68 B3R0.1 OCCO HY-Y0873C [2,0,0,0,0,0|1,1,0]=4 69 B3R0.1 OCCO HY-Y0873E [2,0,0,0,0,0|1,1,0]=4 70 B3R0.1 OCCO HY-Y0873F [2,0,0,0,0,0|1,1,0]=4 71 B3R0.1 OCCO HY-Y0873G [2,0,0,0,0,0|1,1,0]=4 72 B3R0.1 OCCO HY-Y0873H [2,0,0,0,0,0|1,1,0]=4 73 B3R0.1 OCCO HY-Y0873I [2,0,0,0,0,0|1,1,0]=4 74 B3R0.1 OCCO HY-Y0873J [2,0,0,0,0,0|1,1,0]=4 75 B3R0.1 OCCO HY-Y0873K [2,0,0,0,0,0|1,1,0]=4 76 B3R0.1 OCCO HY-Y0873L [2,0,0,0,0,0|1,1,0]=4 77 B3R0.1 OCCO HY-Y0873M [2,0,0,0,0,0|1,1,0]=4 78 B3R0.1 OCCO HY-Y0873N [2,0,0,0,0,0|1,1,0]=4 79 B3R0.1 OCCO HY-Y0873O [2,0,0,0,0,0|1,1,0]=4 80 B3R0.1 OCCO HY-Y0873P [2,0,0,0,0,0|1,1,0]=4 81 B3R0.1 OCCO HY-Y0873Q [2,0,0,0,0,0|1,1,0]=4 82 B5R0.1 CC(=O)CCO HY-W051287 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.1 CC(N)CC#N HY-W018936 [1,1,0,0,0,0|0,0,2]=4 84 B5R0.1 CC(O)CCO HY-77490A [1,1,0,0,0,0|1,0,0]=3 85 B5R0.1 CCCB(O)O HY-W007470 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.1 CCCC(N)=O HY-W088319 [1,1,0,0,0,0|0,0,1]=3 87 B5R0.1 CCOC(N)=O HY-B1207 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.1 CCOC(N)=O HY-B1207R [1,1,0,0,0,0|1,0,1]=4 89 B5R0.1 CCSC(=N)N HY-101252 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.1 C[C@@H](O)CCO HY-77490 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.1 NCCC(=O)O HY-N0230 [1,1,0,0,0,0|0,1,1]=4 92 B5R0.1 NCCS(=O)O HY-100803 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.3 CCC(=O)CO HY-W005327 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.3 CCC(C)C=O HY-W020678 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.3 COC(=O)CN HY-Y1789 [1,1,0,0,0,0|0,1,1]=4 96 B5R0.3 NCC(O)CO HY-W002040 [1,1,0,0,0,0|0,1,0]=3 97 B5R0.3 NC[C@@H](O)CCl HY-W108649 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.3 OC(CBr)CBr HY-W014092 [1,1,0,0,0,0|2,0,0]=4 99 B5R0.3 OCC(O)CO HY-B1659 [1,1,0,0,0,0|1,1,0]=4 100 B5R0.3 OCC(O)CO HY-B1659R [1,1,0,0,0,0|1,1,0]=4 101 B5R0.3 OCC(S)CS HY-B1285 [1,1,0,0,0,0|1,0,0]=3 102 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,2,0,0,0,0|1,0,0]=3 103 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.3 CCCCC(=O)NN HY-W012890 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.3 COC(=O)CCCBr HY-W004701 [0,2,0,0,0,0|1,1,0]=4 107 B7R0.3 COC(=O)CCCN HY-79594 [0,2,0,0,0,0|0,1,0]=3 108 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [0,2,0,0,0,0|1,0,1]=4 109 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,2,0,0,0,0|2,0,0]=4 111 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,2,0,0,0,0|2,0,0]=4 112 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,2,0,0,0,0|0,1,1]=4 113 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.4 CCCCCC(C)N HY-B0952 [0,2,0,0,0,0|1,0,0]=3 115 B7R0.4 CCCCCC(C)O HY-W015879 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.4 NCCCCC(=O)O HY-W015878 [0,2,0,0,0,0|1,0,1]=4 117 B7R0.4 NCCOCC(=O)O HY-140643 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.4 NCCOCC(=O)O HY-140644 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.8 CC(C)(C)OCCN HY-W154207 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.8 CCCCC(C)(C)O HY-W111893 [0,2,0,0,0,0|2,0,0]=4 121 B7R0.8 CS(=O)(=O)SCCN HY-120128 [0,2,0,0,0,0|1,0,1]=4 122 B7R0.8 C[N+](C)(C)CCCBr HY-W009431 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.8 NCCCP(=O)(O)O HY-W105694 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.8 NCCCS(=O)(=O)O HY-14602 [0,2,0,0,0,0|1,0,1]=4 125 B7R0.1 C#CCCCCCBr HY-W459522 [0,2,0,0,0,0|2,0,0]=4 126 B7R0.1 C#CCOCCON HY-140056 [0,2,0,0,0,0|1,0,1]=4 127 B7R0.1 CCCCCCCO HY-W099504 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.1 CCCSSCCC HY-W196803 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.1 COCCOCCN HY-140675 [0,2,0,0,0,0|0,1,0]=3 130 B7R0.1 COCCOCCN HY-140676 [0,2,0,0,0,0|0,1,0]=3 131 B7R0.1 COCCOCCN HY-140677 [0,2,0,0,0,0|0,1,0]=3 132 B7R0.1 COCCOCCN HY-140678 [0,2,0,0,0,0|0,1,0]=3 133 B7R0.1 COCCOCCN HY-140679 [0,2,0,0,0,0|0,1,0]=3 134 B7R0.1 COCCOCCN HY-155881 [0,2,0,0,0,0|0,1,0]=3 135 B7R0.1 COCCOCCN HY-155882 [0,2,0,0,0,0|0,1,0]=3 136 B7R0.1 COCCOCCN HY-W008429 [0,2,0,0,0,0|0,1,0]=3 137 B7R0.1 COCCOCCN HY-W598230A [0,2,0,0,0,0|0,1,0]=3 138 B7R0.1 COCCOCCO HY-140696 [0,2,0,0,0,0|1,1,0]=4 139 B7R0.1 COCCOCCO HY-140696B [0,2,0,0,0,0|1,1,0]=4 140 B7R0.1 COCCOCCO HY-140696D [0,2,0,0,0,0|1,1,0]=4 141 B7R0.1 COCCOCCO HY-140696E [0,2,0,0,0,0|1,1,0]=4 142 B7R0.1 COCCOCCO HY-W012862 [0,2,0,0,0,0|1,1,0]=4 143 B7R0.1 COCCOCCS HY-140706 [0,2,0,0,0,0|1,1,0]=4 144 B7R0.1 COCCOCCS HY-140708 [0,2,0,0,0,0|1,1,0]=4 145 B7R0.1 COCCOCCS HY-W591476 [0,2,0,0,0,0|1,1,0]=4 146 B7R0.1 COCCOCCS HY-W591476B [0,2,0,0,0,0|1,1,0]=4 147 B7R0.1 COCCOCCS HY-W591476C [0,2,0,0,0,0|1,1,0]=4 148 B7R0.1 CSCCCN=C=S HY-121204 [0,2,0,0,0,0|0,0,1]=3 149 B7R0.1 ClCCCCCCBr HY-W009787 [0,2,0,0,0,0|2,0,0]=4 150 B7R0.1 NCCCCCCO HY-W007957 [0,2,0,0,0,0|1,0,0]=3 151 B7R0.1 NCCCNCCS HY-103640 [0,2,0,0,0,0|1,0,0]=3 152 B7R0.1 NCCCNCCS HY-137864 [0,2,0,0,0,0|1,0,0]=3 153 B7R0.1 NCCOCCON HY-W451406A [0,2,0,0,0,0|1,1,0]=4 154 B7R0.1 NCCOCCON HY-W451406C [0,2,0,0,0,0|1,1,0]=4 155 B7R0.1 NCCSSCCN HY-124476 [0,2,0,0,0,0|1,0,0]=3 156 B7R0.1 NCCSSCCN HY-W020050 [0,2,0,0,0,0|1,0,0]=3 157 B7R0.1 NOCCOCCO HY-126951 [0,2,0,0,0,0|1,1,0]=4 158 B7R0.1 OCCCCCCBr HY-W016455 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.1 OCCCCCCCl HY-41681 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.1 OCCCCCCO HY-W010505 [0,2,0,0,0,0|2,0,0]=4 161 B7R0.1 OCCSSCCO HY-W076898A [0,2,0,0,0,0|2,0,0]=4 162 B5R1.2 FC1CNC1 HY-W001606 [1,0,0,1,0,0|2,0,0]=4 163 B5R1.2 IC1COC1 HY-W016306 [1,0,0,1,0,0|1,1,0]=4 164 B5R1.2 OC1CCC1 HY-W013042 [1,0,0,1,0,0|1,0,0]=3 165 B5R1.2 OC1CNC1 HY-40144 [1,0,0,1,0,0|2,0,0]=4 166 B5R1.3 BrCC1CC1 HY-Y1100 [1,0,0,1,0,0|1,0,0]=3 167 B5R1.3 OCC1CO1 HY-Y1010 [1,0,0,1,0,0|1,1,0]=4 168 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,1,0,1,0,0|1,0,0]=3 169 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,1,0,1,0,0|1,0,0]=3 170 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,1,0,1,0,0|2,0,0]=4 173 B7R1.3 BrC1CCOCC1 HY-W003396 [0,1,0,1,0,0|1,1,0]=4 174 B7R1.3 CC1CCOCO1 HY-W111914 [0,1,0,1,0,0|1,1,0]=4 175 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.3 O=C1CCCCN1 HY-W042193 [0,1,0,1,0,0|1,0,1]=4 177 B7R1.3 O=C1CCSCC1 HY-W002007 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.3 O=C1CNCCN1 HY-20128 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.3 OC1CCCCC1 HY-Y1217 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.4 CN1CCCC1=O HY-Y1275 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.4 NC1CCSC1=O HY-101404 [0,1,0,1,0,0|0,0,1]=3 182 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,1,0,0|0,0,1]=3 183 B7R1.4 O[C@@H]1CNC[C@H]1F HY-W062336 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,1,0,1,0,0|0,1,1]=4 185 B7R1.7 C=CCC[C@@H]1CO1 HY-46575 [0,1,0,1,0,0|1,1,0]=4 186 B7R1.14 FC1(F)CCNC1 HY-W001466 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.14 O=S1(=O)CCCN1 HY-W001194 [0,1,0,1,0,0|1,0,1]=4 188 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,1,0,1,0,0|2,0,0]=4