0 B9R0.5 C=COC(=O)CCCCC CS-0167850 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.5 CCCCCC(=O)CCC CS-0362557 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 CCOC(=O)CCCCI CS-0581246 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.5 CCOC(=O)CCN=[N+]=[N-] CS-0693915 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.5 CCOC(=O)CNCCN CS-0140651 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.5 CCOC(=O)COCCI CS-0510728 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.1 CCCOC(=O)OCCl CS-0164395 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.1 CCOC(=N)CCCBr CS-0124515 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.1 CCOC(=O)CCOC CS-0217247 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.1 CCOC(=O)CSCC CS-0151560 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.1 CCOC(=O)NCCCl CS-0151524 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.1 CCOC(=O)NCCO CS-0719448 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.1 CCOC(=O)\C=C\CBr CS-0166774 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.1 CCOC(=O)\C=C\CO CS-0683674 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.1 CC\C=C\C(=O)OCC CS-0361328 [1,0,0,0,0,0|0,0,0]=1 15 B8R0.1 C\C=C\C(=O)CCCC CS-0504757 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.4 CCC\C=C\C=C\CO CS-0186043 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.6 CCCCNC(=O)CC CS-0465067 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.6 CCCNCC(=O)NC CS-0250593 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.6 CCC\C=C\C(=O)OC CS-0166790 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.6 COC(=O)CCCSC CS-0327058 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.6 COC(=O)CSCCN CS-0258526 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.6 C\C=C\C=C\C(=O)O[Na] CS-0185808 [1,0,0,0,0,0|1,0,2]=4 23 B10R0.1 C#CCCCCC(=O)OCC CS-0311381 [0,1,0,0,0,0|0,0,3]=4 24 B10R0.1 CCCCC#CC(=O)OCC CS-0297333 [0,1,0,0,0,0|0,0,3]=4 25 B10R0.1 CCCCCCC(=O)CCC CS-0206235 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.1 CCOC(=O)CNCCC#N CS-0151570 [0,1,0,0,0,0|1,0,2]=4 27 B10R0.1 CCOC(=O)CNCCOC CS-0248799 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.1 CCOC(=O)\C=C\CCCCl CS-0172252 [0,1,0,0,0,0|0,0,2]=3 29 B10R0.2 CCOC(=O)NC(=O)OCC CS-0213041 [0,1,0,0,0,0|2,0,0]=3 30 B10R0.2 CCOC(=O)\C=C(/C)OCC CS-0250815 [0,1,0,0,0,0|1,0,1]=3 31 B10R0.3 C=C(C)CCCC(=O)OCC CS-0151585 [0,1,0,0,0,0|0,0,3]=4 32 B10R0.3 CCOC(=O)CCNC(C)C CS-0124739 [0,1,0,0,0,0|1,0,1]=3 33 B10R0.3 CCOC(=O)\C=C\CN(C)C CS-0162248 [0,1,0,0,0,0|1,0,2]=4 34 B10R0.3 CCOC(=O)\C=C\CN(C)C CS-0164312 [0,1,0,0,0,0|1,0,2]=4 35 B10R0.6 CCCOCC(=O)OC(C)C CS-0161426 [0,1,0,0,0,0|1,0,1]=3 36 B10R0.19 CCOC(=O)C(O)CCSC CS-0243349 [0,1,0,0,0,0|1,0,2]=4 37 B10R0.19 CCO\C=C(/C)C(=O)OCC CS-0148844 [0,1,0,0,0,0|1,0,1]=3 38 B10R0.91 CCCCCC(=O)CCCC CS-0700571 [0,1,0,0,0,0|1,0,2]=4 39 B10R0.91 CCCCCC(=O)OCCC CS-W014332 [0,1,0,0,0,0|0,0,2]=3 40 B10R0.108 CCNC(=O)CNC(=O)CCl CS-0295010 [0,1,0,0,0,0|3,0,0]=4 41 B10R0.108 CCOC(=O)CCC(=O)CBr CS-0361590 [0,1,0,0,0,0|1,0,1]=3 42 B10R0.108 CCOC(=O)CCC(=O)CC CS-0230245 [0,1,0,0,0,0|0,0,1]=2 43 B10R0.108 CCOC(=O)CCC(=O)OC CS-0758203 [0,1,0,0,0,0|1,0,1]=3 44 B10R0.108 CCOC(=O)CNC(=O)CCl CS-0181087 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.11 CCCC(=O)C1CCCC1 CS-0242345 [0,0,0,1,0,0|1,0,2]=4 46 B10R1.11 CCNC(=O)C1CCNC1 CS-0685420 [0,0,0,1,0,0|2,0,1]=4 47 B10R1.11 CCOC(=O)C1CC=CC1 CS-W014373 [0,0,0,1,0,0|0,0,2]=3 48 B10R1.11 CCOC(=O)C1CCCN1 CS-0231999 [0,0,0,1,0,0|1,0,1]=3 49 B10R1.11 CCOC(=O)C1CCCN1 CS-0248747 [0,0,0,1,0,0|1,0,1]=3 50 B10R1.11 CCOC(=O)C1CCNC1 CS-W022719 [0,0,0,1,0,0|1,0,1]=3 51 B10R1.11 CCOC(=O)C1COC=N1 CS-0225632 [0,0,0,1,0,0|2,0,0]=3 52 B10R1.11 CCOC(=O)C1CSCN1 CS-0238367 [0,0,0,1,0,0|2,0,1]=4 53 B10R1.11 CCOC(=O)[C@@H]1CCCN1 CS-W021177 [0,0,0,1,0,0|1,0,1]=3 54 B10R1.11 CCOC(=O)[C@H]1CCNC1 CS-0183649 [0,0,0,1,0,0|1,0,1]=3 55 B10R1.11 O=C(OCCl)C1CCCC1 CS-0778776 [0,0,0,1,0,0|1,0,2]=4 56 B10R1.137 CCOC(=O)CC1CCC1 CS-D0101 [0,0,0,1,0,0|0,0,2]=3 57 B7R0.1 CCNCCOCC CS-0252490 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.1 C\C=C/CCCCC CS-0205053 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.3 C=CCCC(=O)CC CS-0253493 [2,0,0,0,0,0|0,0,2]=4 60 B7R0.3 CCNCC(=O)OC CS-0342279 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.3 CCOCC(=O)OC CS-0260436 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.3 CC\C=C\C(=O)OC CS-0161339 [2,0,0,0,0,0|0,0,0]=2 63 B7R0.3 CC\C=C\C(=O)OC CS-0784965 [2,0,0,0,0,0|0,0,0]=2 64 B7R0.3 CNCCC(=O)OC CS-0454555 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.3 C\C=C\CC(=O)OC CS-0185645 [2,0,0,0,0,0|0,0,0]=2 66 B7R0.7 C(I)=CC(=O)OCC CS-W006336 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.7 C=COC(=O)\C=C\C CS-0167852 [2,0,0,0,0,0|0,0,2]=4 68 B7R0.7 CCCC(=O)OCCl CS-0199093 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.7 CCOC(=N)CCCl CS-0681393 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.7 CCOC(=O)\C=C/Br CS-0188289 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.7 CCOC(=S)SCC CS-0238225 [2,0,0,0,0,0|1,1,0]=4 72 B7R0.7 CCOS(=O)OCC CS-0204569 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.4 CCOCCC(=O)O CS-0216898 [2,0,0,0,0,0|1,0,1]=4 74 B7R0.4 CCSCCC(=O)O CS-0249654 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.4 C\C=C/C=C/C(=O)O CS-0747017 [2,0,0,0,0,0|0,0,2]=4 76 B9R0.34 C(C(=O)OCC)=C(\C)NC CS-W011013 [1,1,0,0,0,0|1,0,0]=3 77 B9R0.34 C=CC(O)CC(=O)OCC CS-0215503 [1,1,0,0,0,0|0,0,2]=4 78 B9R0.34 CCOC(=O)CC(=O)CS CS-0265402 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.34 CCOC(=O)CC(C)CC CS-W016385 [1,1,0,0,0,0|0,0,1]=3 80 B9R0.34 CCOC(=O)CC(O)CI CS-0464084 [1,1,0,0,0,0|1,0,1]=4 81 B9R0.34 CCOC(=O)CN(C)C=O CS-0236851 [1,1,0,0,0,0|2,0,0]=4 82 B9R0.35 C=CCC(C)C(=O)OCC CS-0197267 [1,1,0,0,0,0|0,0,2]=4 83 B9R0.35 CCCC(=O)C(=O)OCC CS-W022665 [1,1,0,0,0,0|0,0,1]=3 84 B9R0.35 CCCC(=O)C(O)CCC CS-W016384 [1,1,0,0,0,0|1,0,1]=4 85 B9R0.35 CCOC(=O)C(C)OCC CS-0234133 [1,1,0,0,0,0|1,0,0]=3 86 B9R0.35 CCOC(=O)\C([O-])=C\C#N CS-0236259 [1,1,0,0,0,0|1,0,1]=4 87 B9R0.35 CCOC(=O)\C([O-])=C\C#N CS-0236641 [1,1,0,0,0,0|1,0,1]=4 88 B9R0.48 CCOC(=O)CNC(C)C CS-0309297 [1,1,0,0,0,0|1,0,0]=3 89 B9R0.48 CCOC(=O)COC(C)=O CS-0699051 [1,1,0,0,0,0|1,0,0]=3 90 B9R0.48 CCOC(=O)\C=C/C(=O)O CS-0151926 [1,1,0,0,0,0|1,0,1]=4 91 B9R0.48 CCOC(=O)\C=C\C(C)=O CS-0151929 [1,1,0,0,0,0|0,0,1]=3 92 B9R0.48 CCOC(=O)\C=C\C(F)F CS-0113942 [1,1,0,0,0,0|1,0,0]=3 93 B9R0.45 CC\C=C\CC\C=C\CO CS-0699000 [1,1,0,0,0,0|2,0,0]=4 94 B9R0.1 CCC(=O)CCCC(C)C CS-0238563 [1,1,0,0,0,0|0,0,2]=4 95 B9R0.1 COC(=O)\C=C\CC(C)C CS-0062486 [1,1,0,0,0,0|0,0,2]=4 96 B9R0.24 CCC(=O)CCC(=O)OC CS-0504000 [1,1,0,0,0,0|0,0,1]=3 97 B9R0.24 COC(=O)CNC(=O)CCl CS-0181085 [1,1,0,0,0,0|2,0,0]=4 98 B11R0.4 C=CCCCCCC(=O)OCC CS-0451552 [0,2,0,0,0,0|0,0,2]=4 99 B11R0.4 CCCCC\C=C\C(=O)OCC CS-0098428 [0,2,0,0,0,0|0,0,2]=4 100 B11R0.4 CCOC(=O)\C=C\CCCCCl CS-0172251 [0,2,0,0,0,0|0,0,2]=4 101 B11R0.4 CC\C=C/CCOC(C)OCC CS-0187298 [0,2,0,0,0,0|1,0,1]=4 102 B11R0.5 C=CCCC(=O)CC(=O)OCC CS-0320795 [0,2,0,0,0,0|0,0,2]=4 103 B11R0.5 CCNCC(=O)NC(=O)OCC CS-0969744 [0,2,0,0,0,0|1,0,1]=4 104 B11R0.5 CCOC(=O)CN(C)CCOC CS-0361625 [0,2,0,0,0,0|1,0,1]=4 105 B11R0.62 CCCC(=O)CCC(=O)OCC CS-0695651 [0,2,0,0,0,0|0,0,1]=3 106 B11R0.62 CCOC(=O)CNC(=O)OCC CS-0462916 [0,2,0,0,0,0|1,0,0]=3 107 B11R0.62 CCOC(=O)CSC(=O)OCC CS-0319891 [0,2,0,0,0,0|1,0,0]=3 108 B11R0.62 CCOC(=O)CSC(=S)OCC CS-0151563 [0,2,0,0,0,0|1,0,0]=3 109 B11R0.81 CCCCCCC(=O)OCCC CS-0466423 [0,2,0,0,0,0|0,0,2]=4 110 B11R0.155 CCCCCC(Br)C(=O)OCC CS-0744389 [0,2,0,0,0,0|0,0,2]=4 111 B11R0.155 CCO\C=C\C(=O)C(=O)OCC CS-0224521 [0,2,0,0,0,0|0,0,1]=3 112 B11R0.174 CCOC(=O)CSCC(=O)OC CS-0584977 [0,2,0,0,0,0|1,0,1]=4 113 B11R0.1 CCOC(=O)CC(=O)CC(C)C CS-W006805 [0,2,0,0,0,0|0,0,1]=3 114 B11R0.177 CCOC(=O)C(O)C(=O)OCC CS-0161346 [0,2,0,0,0,0|1,0,0]=3 115 B11R0.182 CCOC(=O)\C=C(/CBr)OCC CS-0686612 [0,2,0,0,0,0|1,0,1]=4 116 B11R0.182 CCOC(=O)\C=C(/CCl)OCC CS-0182026 [0,2,0,0,0,0|1,0,1]=4 117 B11R0.187 CCOC(=O)CC(=O)C(C)CC CS-0239034 [0,2,0,0,0,0|0,0,1]=3 118 B11R0.187 CCOC(=O)CN(C)C(=O)CCl CS-0217408 [0,2,0,0,0,0|2,0,0]=4 119 B11R0.180 CCOC(=O)CCNC(C)(C)C CS-0124788 [0,2,0,0,0,0|1,0,1]=4 120 B11R0.191 CCO\C=C(\C#N)C(=O)OCC CS-0091501 [0,2,0,0,0,0|1,0,1]=4 121 B11R0.140 CCCCCC(=O)OCCCC CS-W010768 [0,2,0,0,0,0|0,0,2]=4 122 B9R1.2 CCC1CCCC(=O)C1 CS-0261625 [1,0,0,1,0,0|1,0,1]=4 123 B9R1.2 CCN1CCCC(=O)C1 CS-0309133 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.15 CCN1CCNCC1=O CS-0002041 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.33 CCCC1CCCC1=O CS-0238047 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.33 O=C1OCCC1CCBr CS-0230403 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.49 CC1CCNC(=O)CC1 CS-0742035 [1,0,0,1,0,0|1,0,1]=4 128 B9R1.73 CCCC(=O)C1CCC1 CS-0482832 [1,0,0,1,0,0|1,0,1]=4 129 B9R1.73 CCOC(=O)C1CCN1 CS-0434026 [1,0,0,1,0,0|1,0,0]=3 130 B9R1.183 CCOC(=O)C1OC1C CS-0612588 [1,0,0,1,0,0|1,0,0]=3 131 B9R1.11 COC(=O)C1C=CCN1 CS-0201829 [1,0,0,1,0,0|1,0,0]=3 132 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-0197089 [1,0,0,1,0,0|1,0,1]=4 133 B9R1.11 COC(=O)[C@H]1CCNC1 CS-0049275 [1,0,0,1,0,0|1,0,1]=4 134 B9R1.11 COC(=O)[C@H]1CCNC1 CS-0053780 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.79 COC(=O)C=C1CCC1 CS-0217922 [1,0,0,1,0,0|0,0,2]=4 136 B9R1.79 COC(=O)CC1CCC1 CS-0302081 [1,0,0,1,0,0|0,0,2]=4 137 B9R1.80 COC(=O)CNC1CC1 CS-0073911 [1,0,0,1,0,0|1,0,1]=4 138 B9R1.80 COC(=O)\C=C\C1CC1 CS-0380159 [1,0,0,1,0,0|0,0,2]=4 139 B11R1.16 CCOC(=O)C1=CNCCS1 CS-0161191 [0,1,0,1,0,0|1,0,1]=4 140 B11R1.16 CCOC(=O)C1CCC=CO1 CS-0049498 [0,1,0,1,0,0|0,0,0]=2 141 B11R1.16 CCOC(=O)C1CNCCS1 CS-0208747 [0,1,0,1,0,0|1,0,1]=4 142 B11R1.16 CCOC(=O)C1CSCCN1 CS-0005335 [0,1,0,1,0,0|1,0,1]=4 143 B11R1.16 CCOC(=O)C1OCCCO1 CS-0461418 [0,1,0,1,0,0|1,0,1]=4 144 B11R1.16 CCOC(=O)C1SCCCS1 CS-0020890 [0,1,0,1,0,0|1,0,1]=4 145 B11R1.16 CCOC(=O)N1CCOCC1 CS-0222977 [0,1,0,1,0,0|1,0,1]=4 146 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 CS-0207572 [0,1,0,1,0,0|0,0,2]=4 147 B11R1.16 CCOC(=O)[C@H]1CCCNC1 CS-0188170 [0,1,0,1,0,0|0,0,2]=4 148 B11R1.30 CCOC(=O)C=C1CCCC1 CS-0036885 [0,1,0,1,0,0|0,0,2]=4 149 B11R1.30 CCOC(=O)CC1=CN=CN1 CS-0199077 [0,1,0,1,0,0|1,0,1]=4 150 B11R1.30 CCOC(=O)CC1CCCC1 CS-0151591 [0,1,0,1,0,0|0,0,2]=4 151 B11R1.30 CCOC(=O)CC1CCCO1 CS-0316316 [0,1,0,1,0,0|0,0,2]=4 152 B11R1.30 CCOC(=O)CN1C=CC=N1 CS-0312916 [0,1,0,1,0,0|1,0,1]=4 153 B11R1.30 CCOC(=O)C[C@H]1CCNC1 CS-0528809 [0,1,0,1,0,0|0,0,2]=4 154 B11R1.199 CCOC(=O)C1=C(C)C=CO1 CS-0243479 [0,1,0,1,0,0|0,0,2]=4 155 B11R1.199 CCOC(=O)C1=C(C)OC=C1 CS-0313029 [0,1,0,1,0,0|0,0,2]=4 156 B11R1.199 CCOC(=O)C1=C(C)SC=C1 CS-0151835 [0,1,0,1,0,0|0,0,2]=4 157 B11R1.199 CCOC(=O)C1=C(N)CCC1 CS-0151816 [0,1,0,1,0,0|0,0,2]=4 158 B11R1.199 CCOC(=O)C1=CN=CN1C CS-0109441 [0,1,0,1,0,0|1,0,1]=4 159 B11R1.199 CCOC(=O)C1CCCC1N CS-0096830 [0,1,0,1,0,0|0,0,2]=4 160 B11R1.199 CCOC(=O)C1NCCC1N CS-0172336 [0,1,0,1,0,0|1,0,1]=4 161 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N CS-0130411 [0,1,0,1,0,0|0,0,2]=4 162 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1O CS-0858483 [0,1,0,1,0,0|1,0,1]=4 163 B11R1.199 [C@H]1(O)CCC[C@H]1C(=O)OCC CS-0043915 [0,1,0,1,0,0|0,0,2]=4 164 B11R1.290 CCOC(=O)COCC1CC1 CS-0198864 [0,1,0,1,0,0|0,0,2]=4 165 B11R1.201 CCOC(=O)CC1CC(O)C1 CS-0049537 [0,1,0,1,0,0|0,0,2]=4 166 B11R1.15 CCOC(=O)C1=CC=C(C)O1 CS-0215605 [0,1,0,1,0,0|0,0,2]=4 167 B11R1.15 CCOC(=O)C1=CC=C(C)S1 CS-0667785 [0,1,0,1,0,0|0,0,2]=4 168 B11R1.15 CCOC(=O)C1CCC(=O)O1 CS-0930354 [0,1,0,1,0,0|1,0,0]=3 169 B11R1.15 CCOC(=O)C1CCC(N)C1 CS-0299047 [0,1,0,1,0,0|0,0,2]=4 170 B11R1.15 CCOC(=O)C1CCN(C)C1 CS-0446468 [0,1,0,1,0,0|1,0,1]=4 171 B11R1.15 CCOC(=O)N1CCC(=O)C1 CS-B0610 [0,1,0,1,0,0|1,0,1]=4 172 B11R1.15 CCOC(=O)[C@H]1CCC(=O)O1 CS-0876240 [0,1,0,1,0,0|1,0,0]=3 173 B11R1.15 CCOC(=O)[C@H]1C[C@H](F)CN1 CS-0650407 [0,1,0,1,0,0|1,0,1]=4 174 B11R1.77 CC(C)OC(=O)C1CCCC1 CS-0236206 [0,1,0,1,0,0|0,0,2]=4 175 B11R1.349 CCOC(=O)C(Br)C1CCC1 CS-0049508 [0,1,0,1,0,0|0,0,2]=4 176 B11R1.351 CCOC(=O)C(C)NC1CC1 CS-0236787 [0,1,0,1,0,0|1,0,1]=4 177 B11R1.819 CCOC(=O)C1(C)CCCN1 CS-0222791 [0,1,0,1,0,0|1,0,1]=4 178 B11R1.819 CCOC(=O)C1(O)CCCC1 CS-W019049 [0,1,0,1,0,0|0,0,2]=4 179 B11R1.83 CCOC1=CC=C(CC)C=C1 CS-0152508 [0,1,0,1,0,0|1,0,1]=4 180 B11R1.23 CCC(=O)N1CCNC(=O)C1 CS-0259472 [0,1,0,1,0,0|2,0,0]=4 181 B11R2.1261 C1=CCC2(CC1)OCCO2 CS-0474688 [0,0,0,2,0,0|0,0,2]=4