0 B5R1.1 C1=CNC=N1 HY-D0837 [0,0,0,0,0,0|1,0,3]=4 1 B5R1.1 C1=CNC=N1 HY-ER010 [0,0,0,0,0,0|1,0,3]=4 2 B5R1.1 C1=CNN=C1 HY-76228 [0,0,0,0,0,0|1,0,3]=4 3 B5R1.1 C1=NC=NN1 HY-Y0219 [0,0,0,0,0,0|2,0,2]=4 4 B5R1.1 C1=NC=NN1 HY-Y0219R [0,0,0,0,0,0|2,0,2]=4 5 B5R1.1 C1=NN=CN1 HY-Y0219A [0,0,0,0,0,0|2,0,2]=4 6 B6R1.2 CN1CCCC1 HY-128383 [0,1,0,0,0,0|0,0,0]=1 7 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,1,0,0,0,0|0,0,0]=1 8 B6R1.2 N=C1CCCS1 HY-W015798 [0,1,0,0,0,0|1,0,1]=3 9 B6R1.2 O=C1C=CCC1 HY-W010643 [0,1,0,0,0,0|1,0,2]=4 10 B6R1.2 O=C1CCOC1 HY-33900 [0,1,0,0,0,0|1,0,1]=3 11 B6R1.2 O=C1CCSC1 HY-W010594 [0,1,0,0,0,0|1,0,1]=3 12 B6R1.2 O=C1NCCN1 HY-W031536 [0,1,0,0,0,0|1,0,1]=3 13 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.2 SC1=NCCN1 HY-W010593 [0,1,0,0,0,0|1,0,1]=3 15 B4R0.2 BrCCCBr HY-Y1806 [0,0,1,0,0,0|2,0,0]=3 16 B4R0.2 C#CCCO HY-W001947 [0,0,1,0,0,0|1,0,2]=4 17 B4R0.2 C=CCCN HY-W019321 [0,0,1,0,0,0|0,0,2]=3 18 B4R0.2 C=CCSC HY-128447 [0,0,1,0,0,0|1,0,2]=4 19 B4R0.2 CNCCO HY-Y1783 [0,0,1,0,0,0|1,0,0]=2 20 B4R0.2 COCCO HY-139415 [0,0,1,0,0,0|2,0,0]=3 21 B4R0.2 CSSSC HY-128454 [0,0,1,0,0,0|3,0,0]=4 22 B4R0.2 NCCCO HY-Y0139 [0,0,1,0,0,0|1,0,0]=2 23 B4R0.2 O=CCCO HY-N8461 [0,0,1,0,0,0|2,0,1]=4 24 B4R0.2 OCCCBr HY-W007337 [0,0,1,0,0,0|2,0,0]=3 25 B4R0.2 OCCCO HY-W017758 [0,0,1,0,0,0|2,0,0]=3 26 B4R0.2 OCCCS HY-W090210 [0,0,1,0,0,0|2,0,0]=3 27 B4R1.1 C1CNC1 HY-W010628 [0,0,0,0,1,0|0,0,0]=1 28 B6R1.1 C1CSCCN1 HY-W007359 [0,0,0,0,0,1|0,0,0]=1 29 B6R1.1 C1CSCSC1 HY-W001189 [0,0,0,0,0,1|1,0,0]=2 30 B3R0.1 CNNC HY-W460407 [1,0,1,0,0,0|1,0,0]=3 31 B3R0.1 CNOC HY-41074 [1,0,1,0,0,0|1,0,0]=3 32 B3R0.1 NCCO HY-W035903 [1,0,1,0,0,0|1,0,0]=3 33 B3R0.1 NCCS HY-77591 [1,0,1,0,0,0|1,0,0]=3 34 B3R0.1 OCCO HY-Y0338 [1,0,1,0,0,0|2,0,0]=4 35 B3R0.1 OCCO HY-Y0873A [1,0,1,0,0,0|2,0,0]=4 36 B3R0.1 OCCO HY-Y0873A1 [1,0,1,0,0,0|2,0,0]=4 37 B3R0.1 OCCO HY-Y0873B [1,0,1,0,0,0|2,0,0]=4 38 B3R0.1 OCCO HY-Y0873C [1,0,1,0,0,0|2,0,0]=4 39 B3R0.1 OCCO HY-Y0873E [1,0,1,0,0,0|2,0,0]=4 40 B3R0.1 OCCO HY-Y0873F [1,0,1,0,0,0|2,0,0]=4 41 B3R0.1 OCCO HY-Y0873G [1,0,1,0,0,0|2,0,0]=4 42 B3R0.1 OCCO HY-Y0873H [1,0,1,0,0,0|2,0,0]=4 43 B3R0.1 OCCO HY-Y0873I [1,0,1,0,0,0|2,0,0]=4 44 B3R0.1 OCCO HY-Y0873J [1,0,1,0,0,0|2,0,0]=4 45 B3R0.1 OCCO HY-Y0873K [1,0,1,0,0,0|2,0,0]=4 46 B3R0.1 OCCO HY-Y0873L [1,0,1,0,0,0|2,0,0]=4 47 B3R0.1 OCCO HY-Y0873M [1,0,1,0,0,0|2,0,0]=4 48 B3R0.1 OCCO HY-Y0873N [1,0,1,0,0,0|2,0,0]=4 49 B3R0.1 OCCO HY-Y0873O [1,0,1,0,0,0|2,0,0]=4 50 B3R0.1 OCCO HY-Y0873P [1,0,1,0,0,0|2,0,0]=4 51 B3R0.1 OCCO HY-Y0873Q [1,0,1,0,0,0|2,0,0]=4 52 B5R0.1 CC(=O)CCO HY-W051287 [0,1,1,0,0,0|1,0,1]=4 53 B5R0.1 CC(=O)NCO HY-W024564 [0,1,1,0,0,0|1,0,1]=4 54 B5R0.1 CC(N)CC#N HY-W018936 [0,1,1,0,0,0|0,0,2]=4 55 B5R0.1 CC(O)CCO HY-77490A [0,1,1,0,0,0|1,0,0]=3 56 B5R0.1 CCCB(O)O HY-W007470 [0,1,1,0,0,0|2,0,0]=4 57 B5R0.1 CCCC(N)=O HY-W088319 [0,1,1,0,0,0|0,0,1]=3 58 B5R0.1 CCOC(N)=O HY-B1207 [0,1,1,0,0,0|1,0,1]=4 59 B5R0.1 CCOC(N)=O HY-B1207R [0,1,1,0,0,0|1,0,1]=4 60 B5R0.1 CCSC(=N)N HY-101252 [0,1,1,0,0,0|1,0,1]=4 61 B5R0.1 CN(C)CC=O HY-100061A [0,1,1,0,0,0|1,0,1]=4 62 B5R0.1 CNCC(=O)O HY-101037 [0,1,1,0,0,0|1,0,1]=4 63 B5R0.1 CNCC(=O)O HY-101037R [0,1,1,0,0,0|1,0,1]=4 64 B5R0.1 C[C@@H](O)CCO HY-77490 [0,1,1,0,0,0|1,0,0]=3 65 B5R0.1 NCCC(=O)O HY-N0230 [0,1,1,0,0,0|1,0,1]=4 66 B5R0.1 NCCS(=O)O HY-100803 [0,1,1,0,0,0|2,0,0]=4 67 B5R0.2 C#CCCCO HY-W010642 [0,1,1,0,0,0|1,0,1]=4 68 B5R0.2 CCCSSC HY-N7436 [0,1,1,0,0,0|1,0,0]=3 69 B5R0.2 CCSCCCl HY-W199190 [0,1,1,0,0,0|1,0,0]=3 70 B5R0.2 CC\C=C/CO HY-W030347 [0,1,1,0,0,0|1,0,1]=4 71 B5R0.2 NCCCCO HY-W002041 [0,1,1,0,0,0|0,0,0]=2 72 B5R0.3 CCC(=O)CO HY-W005327 [0,1,1,0,0,0|1,0,1]=4 73 B5R0.3 CCC(C)C=O HY-W020678 [0,1,1,0,0,0|1,0,1]=4 74 B5R0.3 CNC(=S)NC HY-W027951 [0,1,1,0,0,0|1,0,1]=4 75 B5R0.3 COC(=O)CN HY-Y1789 [0,1,1,0,0,0|1,0,1]=4 76 B5R0.3 NCC(O)CO HY-W002040 [0,1,1,0,0,0|1,0,0]=3 77 B5R0.3 NC[C@@H](O)CCl HY-W108649 [0,1,1,0,0,0|1,0,0]=3 78 B5R0.3 OC(CBr)CBr HY-W014092 [0,1,1,0,0,0|2,0,0]=4 79 B5R0.3 OCC(O)CO HY-B1659 [0,1,1,0,0,0|2,0,0]=4 80 B5R0.3 OCC(O)CO HY-B1659R [0,1,1,0,0,0|2,0,0]=4 81 B5R0.3 OCC(S)CS HY-B1285 [0,1,1,0,0,0|2,0,0]=4 82 B5R1.2 FC1CNC1 HY-W001606 [0,1,0,0,1,0|0,0,0]=2 83 B5R1.2 IC1COC1 HY-W016306 [0,1,0,0,1,0|1,0,0]=3 84 B5R1.2 O=C1CCO1 HY-107931 [0,1,0,0,1,0|1,0,1]=4 85 B5R1.2 O=C1COC1 HY-76440 [0,1,0,0,1,0|1,0,1]=4 86 B5R1.2 OC1CCC1 HY-W013042 [0,1,0,0,1,0|0,0,0]=2 87 B5R1.2 OC1CNC1 HY-40144 [0,1,0,0,1,0|0,0,0]=2 88 B7R1.3 BrC1CCOCC1 HY-W003396 [0,1,0,0,0,1|1,0,0]=3 89 B7R1.3 CC1CCOCO1 HY-W111914 [0,1,0,0,0,1|1,0,0]=3 90 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,1,0,0,0,1|0,0,0]=2 91 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,1,0,0,0,1|0,0,2]=4 92 B7R1.3 O=C1CCCCN1 HY-W042193 [0,1,0,0,0,1|0,0,0]=2 93 B7R1.3 O=C1CCCCO1 HY-W012997 [0,1,0,0,0,1|1,0,0]=3 94 B7R1.3 O=C1CCOCC1 HY-76487 [0,1,0,0,0,1|1,0,0]=3 95 B7R1.3 O=C1CCSCC1 HY-W002007 [0,1,0,0,0,1|1,0,0]=3 96 B7R1.3 O=C1CNCCN1 HY-20128 [0,1,0,0,0,1|0,0,1]=3 97 B7R1.3 OC1CCCCC1 HY-Y1217 [0,1,0,0,0,1|1,0,0]=3 98 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,2,0,0,0,0|1,0,0]=3 99 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,2,0,0,0,0|0,0,0]=2 100 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,2,0,0,0,0|0,0,0]=2 101 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,2,0,0,0,0|1,0,1]=4 102 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,2,0,0,0,0|0,0,0]=2 103 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,2,0,0,0,0|1,0,1]=4 104 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,2,0,0,0,0|0,0,2]=4 105 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,2,0,0,0,0|0,0,1]=3 106 B7R1.4 CN1CCCC1=O HY-Y1275 [0,2,0,0,0,0|0,0,1]=3 107 B7R1.4 CN1CCNC1=O HY-W005507 [0,2,0,0,0,0|1,0,1]=4 108 B7R1.4 NC1CCSC1=O HY-101404 [0,2,0,0,0,0|1,0,1]=4 109 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,2,0,0,0,0|1,0,1]=4 110 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [0,2,0,0,0,0|1,0,1]=4 111 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,2,0,0,0,0|1,0,1]=4 112 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,2,0,0,0,0|1,0,1]=4 113 B7R1.4 O[C@@H]1CNC[C@H]1F HY-W062336 [0,2,0,0,0,0|0,0,0]=2 114 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,2,0,0,0,0|1,0,1]=4 115 B7R1.14 FC1(F)CCNC1 HY-W001466 [0,2,0,0,0,0|0,0,0]=2 116 B7R1.14 O=S1(=O)CCCN1 HY-W001194 [0,2,0,0,0,0|1,0,0]=3 117 B5R1.3 BrCC1CC1 HY-Y1100 [0,0,1,1,0,0|1,0,0]=3 118 B5R1.3 OCC1CO1 HY-Y1010 [0,0,1,1,0,0|2,0,0]=4