0 B8R0.16 C=CC(CC)OC(C)=O CS-0440529 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.16 CCN(CC)CC(=O)O CS-0144095 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.16 CCN(CC)CC(C)=O CS-0464136 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.16 CCN(CC)CC(N)=O CS-0671121 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.2 C=CC(C)CC(=O)O CS-0243291 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 CC(=O)CC(C)C#N CS-0241518 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.2 CC(CN)CC(=O)O CS-0020588 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.2 CCC(C)CC(=N)N CS-0257477 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 CCC(C)NC(N)=O CS-0221509 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.2 CCC(N)CC(=O)O CS-0172209 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.2 CCN(C)CC(C)=O CS-0687773 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.2 CC[C@@H](N)CC(=O)O CS-0172026 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.2 CC[C@H](N)CC(=O)O CS-0153929 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.2 CC[C@H](N)CC(=O)O CS-0172024 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.2 CNC(=O)CC(C)=O CS-0214968 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.2 COC(=O)CS(C)=O CS-0231490 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.2 COC(C)CC(=O)O CS-0216817 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.2 CSC(C)CC(=O)O CS-0224328 [1,0,0,0,0,0|1,1,0]=3 18 B7R0.2 NCC(O)CC(=O)O CS-0013138 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.12 COC(CCCl)OC CS-0451600 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.12 COC(CSC)OC CS-0186106 [1,0,0,0,0,0|1,0,0]=2 21 B9R0.26 CCC(CC)NC(=O)CCl CS-0219594 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.41 CCC(CC)C(N)C(=O)O CS-0295930 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.52 COC(CC(F)(F)F)OC CS-0206181 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.63 CO[Si](C)(CC(C)C)OC CS-0154319 [0,1,0,0,0,0|1,1,1]=4 25 B9R1.2 CCC1CCCC(=O)C1 CS-0261625 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.2 CCN1CCCC(=O)C1 CS-0309133 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.2 COC1CC(C)C=CO1 CS-0504758 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.2 COC1CCCC(O)C1 CS-0051287 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.2 CO[C@@H]1CCN[C@H](C)C1 CS-0782284 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.2 O=C1CCCC(CO)C1 CS-0216970 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.13 CC(=O)CC1C=CCC1 CS-0236252 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.13 CC(=O)CC1CCOC1 CS-0230102 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.13 CC(=O)NC1CCCC1 CS-D0484 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.13 NC(=O)CC1CCCC1 CS-0462156 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.13 O=C(O)CC1CCCN1 CS-0005414 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.133 COC1CCS(=O)(=O)C1 CS-0449424 [0,0,0,1,0,0|3,0,0]=4 37 B7R0.15 CCC(NC)C(=O)O CS-0251353 [0,0,0,0,1,0|3,0,0]=4 38 B7R0.15 CCC(NC)C(N)=O CS-0324764 [0,0,0,0,1,0|3,0,0]=4 39 B7R0.15 CCC(SC)C(=O)O CS-0223304 [0,0,0,0,1,0|2,1,0]=4 40 B7R0.15 CC[C@H](NC)C(N)=O CS-0961781 [0,0,0,0,1,0|3,0,0]=4 41 B7R0.15 COC(OC)C(=O)O CS-0524002 [0,0,0,0,1,0|1,0,0]=2 42 B7R0.15 COC(OC)C(C)O CS-0696223 [0,0,0,0,1,0|0,0,2]=3 43 B7R0.15 COC(OC)[C@@H](C)O CS-0254441 [0,0,0,0,1,0|0,0,2]=3 44 B7R0.15 COC(OC)[C@H](C)O CS-1054862 [0,0,0,0,1,0|0,0,2]=3 45 B9R0.43 CCC(COC(C)=O)OC CS-0316638 [0,0,0,0,0,1|1,0,0]=2 46 B9R0.43 CCN(CC)CCC(C)=O CS-W004483 [0,0,0,0,0,1|3,0,0]=4 47 B6R0.1 CCC(C)CNC CS-0356555 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.1 CCC(O)COC CS-0199441 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.1 CNCC(C)OC CS-0239344 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.1 COC(C)CC#N CS-0223102 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.1 COC(C)CCN CS-0074740 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.2 CC(C)=CC(C)O CS-0006593 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.2 CC(C)CC(=N)N CS-0122240 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.2 CC(C)CC(C)Br CS-0273922 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.2 CC(C)C[C@@H](C)O CS-0273778 [2,0,0,0,0,0|0,0,2]=4 56 B6R0.2 CC(Cl)CC(=O)O CS-0206565 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.2 CC(O)CN(C)C CS-0504044 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.2 CN(C)CC(N)=O CS-0159757 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.2 C[S+](C)CC(=O)O CS-0204683 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.2 C[S+](C)CC(=O)[O-] CS-0674576 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.4 CC(=O)CCCBr CS-0103669 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.4 CCCCC(=O)Br CS-0185634 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.4 CCCCC(N)=O CS-0206049 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.4 COCCC(=N)N CS-0046979 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.4 COCCC(=N)N CS-0261114 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.4 COCCC(N)=O CS-0251977 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.4 COCCC(N)=S CS-0355835 [2,0,0,0,0,0|1,1,0]=4 68 B6R0.4 COCCS(=O)O CS-0902763 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 CSCOC(C)=O CS-0316444 [2,0,0,0,0,0|1,1,0]=4 70 B6R0.9 CCC(CC)NC CS-W000153 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.9 CCC(CO)OC CS-0447197 [2,0,0,0,0,0|1,0,1]=4 72 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CS-0011143 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O CS-0198787 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.2 CON(C)C(=O)C(C)=O CS-0368169 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O CS-0158283 [1,1,0,0,0,0|1,0,0]=3 76 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O CS-0684874 [1,1,0,0,0,0|1,0,0]=3 77 B8R0.5 C=C(C)CC(C)CCC CS-0205091 [1,1,0,0,0,0|2,0,0]=4 78 B8R0.5 CCCC(C)CC(=O)O CS-0700565 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.5 CCSC(C)CC(=O)O CS-0161209 [1,1,0,0,0,0|1,1,0]=4 80 B8R0.5 COCC(=O)CC(C)=O CS-0208070 [1,1,0,0,0,0|0,0,2]=4 81 B8R0.19 CCC(C)NC(=O)CCl CS-0307562 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.19 COC(=O)CC(O)CCl CS-0440270 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.19 COC(=O)CC(O)CN CS-0813801 [1,1,0,0,0,0|2,0,0]=4 84 B8R0.19 COC(=O)C[C@@H](O)CCl CS-0259583 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.19 COC(=O)\C=C(/C)OC CS-0452646 [1,1,0,0,0,0|0,0,2]=4 86 B8R0.19 [C@H](O)(CC)CC(=O)OC CS-W013416 [1,1,0,0,0,0|1,0,0]=3 87 B8R0.23 CC(=O)CC(C)C(=O)O CS-0054789 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.23 CC(=O)CN(C)C(C)C CS-0714496 [1,1,0,0,0,0|2,0,0]=4 89 B8R0.23 CC(=O)NC(C)C(C)=O CS-0199981 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.23 CC(=O)OC(C)C(C)=O CS-W013436 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.23 CC(C)C(C)CC(=O)O CS-0217045 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.23 CC(CC(=O)O)N(C)C CS-0232067 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.24 CNC(C)CS(C)(=O)=O CS-0260441 [1,1,0,0,0,0|2,0,0]=4 94 B8R0.34 CC(=O)CC(C)(C)C#N CS-0245070 [1,1,0,0,0,0|2,0,0]=4 95 B8R0.34 CCC(C)(C)CC(=O)O CS-0489276 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.34 CCC(C)(C)OC(C)=O CS-0235745 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.34 CCC(C)(O)CC(=O)O CS-0205329 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.11 CCSCC(OC)OC CS-0233741 [1,1,0,0,0,0|0,0,1]=3 99 B8R0.11 COC(CCCN)OC CS-WAA0041 [1,1,0,0,0,0|0,0,1]=3 100 B8R0.20 CNC(C)C(OC)OC CS-0247184 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.31 C=CCP(=O)(OC)OC CS-0331137 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.18 CCC(C(C)=O)C(C)=O CS-0095587 [0,1,0,0,1,0|2,0,0]=4 103 B8R0.18 COC(C(=O)O)C(C)C CS-0234414 [0,1,0,0,1,0|2,0,0]=4 104 B8R0.18 CON(C(C)=O)C(C)=O CS-0204559 [0,1,0,0,1,0|2,0,0]=4 105 B8R0.36 COC(C)(OC)C(N)=O CS-0451851 [0,1,0,0,1,0|1,0,0]=3 106 B10R0.45 COC(=O)NCC(OC)OC CS-0969060 [0,1,0,0,0,1|0,0,0]=2 107 B10R0.72 COC(CC(=O)C(C)C)OC CS-0237123 [0,1,0,0,0,1|1,0,1]=4 108 B10R0.79 CCOC(C=C(C)C)OCC CS-0017884 [0,2,0,0,0,0|1,0,1]=4 109 B10R0.79 CCOC(CC(C)C)OCC CS-0209277 [0,2,0,0,0,0|1,0,1]=4 110 B10R0.79 CCOC(OCC)OC(C)=O CS-0147298 [0,2,0,0,0,0|1,0,0]=3 111 B10R0.38 COC(=O)C(C)C(OC)OC CS-0455629 [0,2,0,0,0,0|0,0,0]=2 112 B10R0.145 CCN(CC)CC(OC)OC CS-0446910 [0,2,0,0,0,0|2,0,0]=4 113 B8R1.1 CCC1CCC(=O)C1 CS-0206422 [1,0,0,1,0,0|1,0,0]=3 114 B8R1.1 CO[C@@H]1CC[C@H](N)C1 CS-0613344 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.1 CO[C@H]1CC[C@@H](N)C1 CS-0887070 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.1 N#CC1CCC(=O)C1 CS-0035459 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.4 CC1CCCC(=O)C1 CS-W011266 [1,0,0,1,0,0|1,0,0]=3 118 B8R1.4 CN1CCCC(=O)C1 CS-0664942 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.4 C[C@@H]1CCCC(=O)C1 CS-0217860 [1,0,0,1,0,0|1,0,0]=3 120 B8R1.4 C[C@@H]1C[C@@H](O)CCO1 CS-0858466 [1,0,0,1,0,0|0,0,2]=4 121 B8R1.4 C[C@H]1C[C@@H](O)CCO1 CS-0183100 [1,0,0,1,0,0|0,0,2]=4 122 B8R1.4 NC1CCCC(=O)C1 CS-0055078 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.4 NC1CCCC(=O)C1 CS-0464639 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.4 O=C1CCCC(O)C1 CS-0051335 [1,0,0,1,0,0|1,0,0]=3 125 B8R1.18 CC1=CC(=O)CC1C CS-0186737 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.31 CC1CCC1C(=O)O CS-0308594 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O CS-0650067 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.43 CCC1CC1C(=O)O CS-0238141 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.62 CC1(C#N)CC(=O)C1 CS-0052447 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.2 COC1CCCCC1 CS-0361650 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.2 CO[C@@H]1CCCNC1 CS-0053324 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.8 CNCC1CCCO1 CS-0145097 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.8 CNCC1OCCO1 CS-0204729 [1,0,0,1,0,0|1,0,0]=3 134 B8R1.8 ICCC1OCCO1 CS-0433339 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.8 NCCC1OCCO1 CS-0205328 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.60 COC1(OC)COC1 CS-0057692 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.60 COC1(OC)CSC1 CS-0475850 [1,0,0,1,0,0|1,0,0]=3 138 B8R1.7 CC(=O)C1NCCS1 CS-0043804 [0,0,0,1,1,0|1,1,0]=4 139 B8R1.7 CC(=O)C1NCCS1 CS-0466140 [0,0,0,1,1,0|1,1,0]=4 140 B8R1.7 NC(=O)C1CCCO1 CS-0149957 [0,0,0,1,1,0|2,0,0]=4 141 B8R1.7 NC(=O)[C@@H]1CCCO1 CS-0875166 [0,0,0,1,1,0|2,0,0]=4 142 B10R1.66 CC(=O)OCC1CCCO1 CS-0155423 [0,0,0,1,0,1|1,0,0]=3 143 B10R1.66 O=[N+]([O-])CCC1OCCO1 CS-0197446 [0,0,0,1,0,1|2,0,0]=4 144 B10R1.10 CCCC1CC(=O)CCN1 CS-0152402 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.18 O=C(O)C[C@@H]1COCCN1 CS-0852191 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.27 COC(=O)CC1CCCC1 CS-0465012 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.27 COC(=O)CC1CCCO1 CS-0215613 [0,1,0,1,0,0|1,0,0]=3 148 B10R1.27 COC(=O)C[C@H]1CCCN1 CS-0137047 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.491 COC1(OC)CC(CBr)C1 CS-0051714 [0,1,0,1,0,0|1,0,1]=4 150 B10R1.113 CC(C)C1CC(=O)CCN1 CS-0460986 [0,1,0,1,0,0|2,0,0]=4 151 B10R2.62 O=C1CC2CCC1CC2 CS-W018644 [0,0,0,2,0,0|2,0,0]=4 152 B10R2.351 O=C(O)C1C2CCOC21 CS-0051822 [0,0,0,2,0,0|2,0,0]=4 153 B6R0.3 CC(=O)C(C)C#N CS-0171662 [1,0,0,0,1,0|2,0,0]=4 154 B6R0.3 CC[C@@H](C)C(N)=O CS-0604251 [1,0,0,0,1,0|2,0,0]=4 155 B6R0.3 CC[C@H](O)C(=O)O CS-1022965 [1,0,0,0,1,0|2,0,0]=4 156 B6R0.3 CNC(C)C(=O)O CS-0662516 [1,0,0,0,1,0|2,0,0]=4 157 B6R0.3 CN[C@@H](C)C(N)=O CS-0224966 [1,0,0,0,1,0|2,0,0]=4 158 B6R0.3 CN[C@@H](C)C(N)=O CS-0966766 [1,0,0,0,1,0|2,0,0]=4 159 B6R0.3 CN[C@H](C)C(=O)O CS-0687682 [1,0,0,0,1,0|2,0,0]=4 160 B6R0.3 CN[C@H](C)C(N)=O CS-0225838 [1,0,0,0,1,0|2,0,0]=4 161 B6R0.3 COC(C)C(C)O CS-0667009 [1,0,0,0,1,0|0,0,2]=4 162 B6R0.3 CSC(C)C(=O)O CS-0668009 [1,0,0,0,1,0|1,1,0]=4 163 B6R0.3 C\C=C(/C)C(C)=O CS-0504210 [1,0,0,0,1,0|1,0,1]=4 164 B8R0.9 CCC(C)CCC(=O)O CS-0199329 [1,0,0,0,0,1|2,0,0]=4 165 B8R0.9 CCC(C)OCC(=O)O CS-0223500 [1,0,0,0,0,1|2,0,0]=4 166 B8R0.9 COC(C)COC(C)=O CS-0245967 [1,0,0,0,0,1|0,0,0]=2 167 B10R0.77 COC(CNCC(C)C)OC CS-0222951 [0,0,0,0,0,2|1,0,1]=4