0 B7R0.4 CC(C)CCCCBr CS-0154231 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.4 CC(C)CCCCO CS-W011227 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 CC(O)CCCCO CS-0572924 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 CCCCCC(C)O CS-W016595 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 CCCCC[C@H](C)O CS-0179417 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 CN(C)CCCCCl CS-0059660 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 CN(C)CCCCN CS-0206346 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 CN(C)CCCCN CS-0669419 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CN(C)CCCCO CS-W022016 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 C=CCCC(C)O CS-0513969 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CC(Br)CCCBr CS-0204659 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CC(C)CCCBr CS-0154233 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CC(C)CCCO CS-W007511 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.4 CC(C)NCCCl CS-W006300 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 CC(C)NCCN CS-0199017 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CC(C)NCCO CS-0076304 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 CC(C)OCCBr CS-W018660 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CC(O)CCCO CS-0154051 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 CCCC[C@@H](C)O CS-0179419 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.4 CCCC[C@H](C)O CS-0179420 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 CCNCC(C)C CS-0071534 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CN(C)CCCBr CS-W003771 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CN(C)CCCCl CS-W004690 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CN(C)CCCCl CS-W019575 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CN(C)CCCN CS-0214111 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CN(C)CCON CS-0145225 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 CN(C)\C=C\C=O CS-M0766 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.4 CNCCC(C)C CS-0039334 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.4 CNCCN(C)C CS-W022914 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 C[C@@H](N)CCCO CS-0634445 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 C[C@H](N)CCCO CS-0652529 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.6 C=CCCCCBr CS-W008939 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.6 C=CCCCCN CS-0210385 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.6 C=CCCCCO CS-W013711 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.6 C=COCCON CS-M0262 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.6 CCCCCCI CS-0132388 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 CCCCCCN CS-0196786 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 CCC\C=C\C=O CS-0099263 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.6 CCOCCCO CS-W013685 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.7 CC(C)CCCCCO CS-0210352 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.7 CC(C)CCCCCO CS-0641181 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.7 CC(C)NCCCCO CS-M3069 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.7 CN(C)CCOCCO CS-W011078 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.9 CN(C)CCN(C)C=O CS-0172412 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [0,1,0,0,0,0|1,0,2]=4 46 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.28 CC(=O)OCC=C(C)C CS-W011131 [0,1,0,0,0,0|0,0,2]=3 49 B8R0.28 CC(=O)OCOC(C)=O CS-W004911 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.28 CC(=O)\C=C\CC(C)C CS-0657803 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.28 CC(C)=CCC[C@@H](C)O CS-0726318 [0,1,0,0,0,0|3,0,0]=4 52 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.28 CN(C)CC#CC(=O)O CS-0371338 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.28 CN(C)CC#CC(=O)O CS-0564430 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.28 CN(C)C\C=C\C(=O)O CS-0091680 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.28 CN(C)C\C=C\C(=O)O CS-0132058 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.28 CN(C)C\C=C\C(=O)O CS-D1794 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.28 CN(C)C\C=C\C(=O)O CS-M0298 [0,1,0,0,0,0|2,0,1]=4 62 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [0,0,0,1,0,0|1,0,2]=4 63 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.4 CC1COCC(=O)N1 CS-0146686 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.7 CC(C)[C@H]1CCNC1 CS-0053334 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.7 CC(N)C1CCOC1 CS-0263398 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.19 CC1(C)CCCC1=O CS-0040450 [0,0,0,1,0,0|1,0,0]=2 84 B8R1.19 CC1(C)CCCC1O CS-0072492 [0,0,0,1,0,0|1,0,2]=4 85 B8R1.19 CC1(C)CCNC1=O CS-0046646 [0,0,0,1,0,0|1,0,0]=2 86 B8R1.19 CC1(C)CONC1=O CS-0067875 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.22 CC1CCCNCC1 CS-0199646 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.72 CC1(C)CCNCC1 CS-W005691 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.72 CC1(N)CCOCC1 CS-0039635 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.72 CC1(N)CCOCC1 CS-W018780 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.72 CC1(O)CCOCC1 CS-W006621 [0,0,0,1,0,0|2,0,1]=4 92 B5R0.1 C=CC[C@H](C)O CS-0081915 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.1 CC(C)=CCO CS-W013751 [2,0,0,0,0,0|0,0,2]=4 94 B5R0.1 CC(C)CNN CS-0067938 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 CC(C)CON CS-0136014 [2,0,0,0,0,0|1,0,0]=3 96 B5R0.1 CC(C)\C=N\O CS-W000111 [2,0,0,0,0,0|1,0,1]=4 97 B5R0.1 CC(N)CCO CS-W004841 [2,0,0,0,0,0|1,0,0]=3 98 B5R0.1 CC(O)CCBr CS-0142519 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 CC(O)CCO CS-0115644 [2,0,0,0,0,0|1,0,0]=3 100 B5R0.1 CCC[C@@H](C)N CS-0162182 [2,0,0,0,0,0|1,0,1]=4 101 B5R0.1 CCC[C@H](C)N CS-W006528 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.1 CN(C)CCBr CS-W004693 [2,0,0,0,0,0|2,0,0]=4 103 B5R0.1 CN(C)NC=O CS-M2144 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.1 COC[C@@H](C)N CS-W019198 [2,0,0,0,0,0|1,0,1]=4 105 B5R0.1 COC[C@H](C)N CS-0148795 [2,0,0,0,0,0|1,0,1]=4 106 B5R0.1 COC[C@H](C)O CS-0031378 [2,0,0,0,0,0|1,0,1]=4 107 B5R0.1 C[C@@H](N)CCO CS-W013746 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.1 C[C@@H](O)CCO CS-M1638 [2,0,0,0,0,0|1,0,0]=3 109 B5R0.1 C[C@H](N)CCO CS-W019851 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.1 C[C@H](O)CCO CS-W016671 [2,0,0,0,0,0|1,0,0]=3 111 B5R0.1 OCCC(F)F CS-0185412 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.2 C=CCCCI CS-0135974 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.2 C=CCCNC CS-0197692 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.2 CCCCON CS-0106180 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.2 CC\C=C\C=O CS-0173472 [2,0,0,0,0,0|0,0,2]=4 116 B5R0.2 COCCCBr CS-W010945 [2,0,0,0,0,0|1,0,1]=4 117 B5R0.2 N#CCOC=O CS-0181845 [2,0,0,0,0,0|1,0,1]=4 118 B7R0.2 CC(C)CC(N)C#N CS-0226488 [1,1,0,0,0,0|1,0,1]=4 119 B7R0.2 CC(C)CC(N)CO CS-W021562 [1,1,0,0,0,0|0,0,2]=4 120 B7R0.2 CC(C)CC(O)C#N CS-0359248 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.2 CC(C)C[C@H](N)CO CS-W016592 [1,1,0,0,0,0|0,0,2]=4 122 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [1,1,0,0,0,0|0,0,2]=4 123 B7R0.3 C[C@@H](CN)CCCO CS-0368510 [1,1,0,0,0,0|0,0,2]=4 124 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [1,1,0,0,0,0|0,0,2]=4 125 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [1,1,0,0,0,0|0,0,2]=4 126 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [1,1,0,0,0,0|1,0,1]=4 127 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.6 CC(=O)\C=C\C(C)C CS-0199438 [1,1,0,0,0,0|0,0,2]=4 129 B7R0.6 CC(C)CCB(O)O CS-0154235 [1,1,0,0,0,0|1,0,1]=4 130 B7R0.6 CC(C)CCC(=O)O CS-W016598 [1,1,0,0,0,0|0,0,0]=2 131 B7R0.6 CC(C)CCC(C)O CS-0225168 [1,1,0,0,0,0|0,0,2]=4 132 B7R0.6 CC(C)OCC(=O)O CS-0005425 [1,1,0,0,0,0|1,0,0]=3 133 B7R0.6 CC(C)\C=C\C(=O)O CS-0206284 [1,1,0,0,0,0|0,0,2]=4 134 B7R0.6 CC(C)\C=C\C(=O)O CS-0642794 [1,1,0,0,0,0|0,0,2]=4 135 B7R0.6 CC(N)CCC(=O)O CS-0276521 [1,1,0,0,0,0|1,0,0]=3 136 B7R0.6 CN(C)CCC(=O)O CS-W007826 [1,1,0,0,0,0|1,0,0]=3 137 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [1,1,0,0,0,0|1,0,0]=3 139 B7R0.6 O=C(O)CCC(F)F CS-0375270 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.8 CC(C)(N)CCCO CS-0234492 [1,1,0,0,0,0|0,0,2]=4 141 B7R0.8 CCCCC(C)(C)O CS-0181812 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.1 C=CCCCCCBr CS-W009270 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.1 C=CCCCCNC CS-0187593 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.1 C=COCCCCO CS-0077087 [1,1,0,0,0,0|1,0,0]=3 145 B7R0.1 CCCC\C=C\C=O CS-0185633 [1,1,0,0,0,0|1,0,0]=3 146 B9R0.53 CC(=O)CC(=O)CC(C)C CS-0095754 [0,2,0,0,0,0|1,0,1]=4 147 B9R0.53 CC(C)CC(N)CC(=O)O CS-W021839 [0,2,0,0,0,0|1,0,0]=3 148 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CS-0038509 [0,2,0,0,0,0|1,0,0]=3 149 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-0036492 [0,2,0,0,0,0|1,0,0]=3 150 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-W008482 [0,2,0,0,0,0|1,0,0]=3 151 B9R0.1 C=CC(=O)OCCN(C)C CS-W016416 [0,2,0,0,0,0|1,0,0]=3 152 B9R0.48 CCOC(=O)CCC(C)C CS-0151589 [0,2,0,0,0,0|1,0,1]=4 153 B9R0.55 CC(=O)CCCOC(C)=O CS-0089169 [0,2,0,0,0,0|1,0,1]=4 154 B9R0.55 CC(C)CCCCC(=O)O CS-0154230 [0,2,0,0,0,0|1,0,0]=3 155 B9R0.55 CN(C)CCCCC(=O)O CS-0151284 [0,2,0,0,0,0|2,0,0]=4 156 B9R0.55 CN(C)CCCCC(=O)O CS-0151285 [0,2,0,0,0,0|2,0,0]=4 157 B9R0.7 CC(C)CC[C@@H](N)C(=O)O CS-0154245 [0,2,0,0,0,0|1,0,0]=3 158 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0498852 [0,2,0,0,0,0|1,0,0]=3 159 B9R0.7 C[S+](C)CCC(N)C(=O)O CS-0083177 [0,2,0,0,0,0|2,0,0]=4 160 B9R0.56 CC(=O)OCC[N+](C)(C)C CS-0020798 [0,2,0,0,0,0|1,0,0]=3 161 B9R0.56 CC(=O)OCC[N+](C)(C)C CS-0143594 [0,2,0,0,0,0|1,0,0]=3 162 B9R0.56 CC(=O)SCC[N+](C)(C)C CS-0199449 [0,2,0,0,0,0|1,1,0]=4 163 B9R0.56 CC(=O)SCC[N+](C)(C)C CS-D1378 [0,2,0,0,0,0|1,1,0]=4 164 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [1,0,0,1,0,0|0,0,2]=4 165 B7R1.2 CC1CCC(=O)O1 CS-W016654 [1,0,0,1,0,0|1,0,0]=3 166 B7R1.2 CC1CNC(=O)C1 CS-0040667 [1,0,0,1,0,0|1,0,0]=3 167 B7R1.2 CC1COC(=O)N1 CS-0181060 [1,0,0,1,0,0|1,0,0]=3 168 B7R1.2 CN1CCC(=O)C1 CS-0172438 [1,0,0,1,0,0|1,0,0]=3 169 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [1,0,0,1,0,0|1,0,0]=3 170 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [1,0,0,1,0,0|1,0,0]=3 173 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [1,0,0,1,0,0|1,0,0]=3 174 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [1,0,0,1,0,0|1,0,0]=3 175 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|1,0,0]=3 178 B7R1.2 NC1CNC(=O)C1 CS-W023257 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [1,0,0,1,0,0|1,0,0]=3 181 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [1,0,0,1,0,0|1,0,0]=3 182 B7R1.2 O=C1CC(O)CN1 CS-W018808 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [1,0,0,1,0,0|1,0,1]=4 184 B7R1.2 O=C1CCC(O)C1 CS-0051334 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.2 O=C1COC(=O)C1 CS-W016655 [1,0,0,1,0,0|1,0,1]=4 186 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.2 O=C1OCC(F)O1 CS-0155468 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [1,0,0,1,0,0|1,0,0]=3 191 B7R1.3 BrC1CCOCC1 CS-W003396 [1,0,0,1,0,0|1,0,1]=4 192 B7R1.3 CC1CCOCC1 CS-0233092 [1,0,0,1,0,0|0,0,1]=3 193 B7R1.3 CC1CCOCO1 CS-0181838 [1,0,0,1,0,0|1,0,1]=4 194 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [1,0,0,1,0,0|1,0,1]=4 195 B7R1.3 ClC1CCOCC1 CS-W016579 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.3 IC1CCOCC1 CS-W004278 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.3 NC1CC=CCC1 CS-0076943 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.3 NC1CCOCC1 CS-B0654 [1,0,0,1,0,0|1,0,1]=4 199 B7R1.3 NC1CCOCC1 CS-W002372 [1,0,0,1,0,0|1,0,1]=4 200 B7R1.3 OC1CC=CCC1 CS-0161778 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.3 OC1CCOCC1 CS-W004264 [1,0,0,1,0,0|1,0,1]=4 202 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [1,0,0,1,0,0|1,0,1]=4 203 B7R1.10 CC1CC(CN)C1 CS-0036376 [1,0,0,1,0,0|1,0,1]=4 204 B7R1.10 CC1CC(CO)C1 CS-0215900 [1,0,0,1,0,0|0,0,2]=4 205 B7R1.10 COC1CC(N)C1 CS-0051290 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.10 COC1CC(O)C1 CS-0056983 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.10 CO[C@H]1C[C@H](N)C1 CS-0045545 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.14 CC1(C)CCCN1 CS-W021476 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.14 CC1(C)CCNC1 CS-0051614 [1,0,0,1,0,0|1,0,1]=4 210 B7R1.14 CC1(C)COCN1 CS-0072063 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.14 CC1(N)CCOC1 CS-0184318 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.1 O=CC1CCOC1 CS-W004272 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.1 O=CN1CCCC1 CS-0155290 [1,0,0,1,0,0|1,0,0]=3 214 B7R1.1 O=NN1CCCC1 CS-0199565 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.4 CC1CCNC1=O CS-W004958 [1,0,0,1,0,0|1,0,0]=3 216 B7R1.4 CC1CCOC1=O CS-0152675 [1,0,0,1,0,0|0,0,0]=2 217 B7R1.4 CC1OCCC1=O CS-W011324 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.4 CC1SCCC1=O CS-W011228 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.4 CN1CCCC1=O CS-0017258 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.4 CN1CCNC1=O CS-W005507 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.4 CN1CCOC1=O CS-W016647 [1,0,0,1,0,0|1,0,0]=3 222 B7R1.4 NC1CCNC1=O CS-0113495 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.4 NC1CCOC1=O CS-0051531 [1,0,0,1,0,0|1,0,0]=3 224 B7R1.4 NC1CCSC1=O CS-0021300 [1,0,0,1,0,0|1,1,0]=4 225 B7R1.4 NN1CCOC1=O CS-W013698 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [1,0,0,1,0,0|1,0,0]=3 228 B7R1.4 N[C@@H]1CCSC1=O CS-0375845 [1,0,0,1,0,0|1,1,0]=4 229 B7R1.4 N[C@H]1CCNC1=O CS-W021173 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [1,0,0,1,0,0|1,0,0]=3 231 B7R1.4 N[C@H]1CCSC1=O CS-6394 [1,0,0,1,0,0|1,1,0]=4 232 B7R1.4 O=C1NCCC1O CS-W005201 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.4 O=C1NCC[C@H]1F CS-0500742 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.4 O=C1OCCC1Br CS-W001104 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.4 O=C1OCCC1O CS-W013699 [1,0,0,1,0,0|1,0,0]=3 238 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [1,0,0,1,0,0|1,0,0]=3 240 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [1,0,0,1,0,0|1,0,0]=3 241 B9R1.34 CC1CC(=O)CC(=O)C1 CS-0130624 [0,1,0,1,0,0|1,0,1]=4 242 B9R1.34 CC1CC(=O)CC(C)N1 CS-0140246 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.34 CC1CC(=O)OC(=O)C1 CS-0152693 [0,1,0,1,0,0|0,0,1]=3 244 B9R1.34 CN1CC(=O)OC(=O)C1 CS-0163445 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.38 CC1(C)CC(=O)OC1=O CS-W007998 [0,1,0,1,0,0|0,0,1]=3 246 B9R1.41 CC(C)N1CCNC1=O CS-0374367 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.66 CC1(C)CC(=O)CCN1 CS-0153799 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.66 CC1(C)CC(=O)CCO1 CS-D0378 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.66 CC1(C)CC=CC(=O)C1 CS-0648459 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.66 CC1(C)CCCC(=O)C1 CS-0010863 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.66 CC1(C)CCCC(=O)N1 CS-0062136 [0,1,0,1,0,0|1,0,0]=3 252 B9R1.66 CC1(C)COCC(=O)N1 CS-0146687 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.1 CN1CCN(C=O)CC1 CS-0206481 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.2 CCN1CCNC(=O)C1 CS-0145869 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.2 CSC1CCCC(=O)C1 CS-0237612 [0,1,0,1,0,0|1,0,0]=3 256 B9R1.2 N#CC1CCCC(=O)C1 CS-0119852 [0,1,0,1,0,0|1,0,1]=4 257 B9R1.2 NCC1CCNC(=O)C1 CS-0037079 [0,1,0,1,0,0|1,0,0]=3 258 B9R1.2 O=C1CC(CO)CCN1 CS-0051145 [0,1,0,1,0,0|1,0,0]=3 259 B9R1.2 O=C1CCCC(CO)N1 CS-0099968 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.49 CN1CCCC(=O)CC1 CS-W003427 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.49 O=C1CCCC(O)CN1 CS-0187220 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.118 CC1(CN)CCOCC1 CS-0053196 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.118 CC1(CO)CCOCC1 CS-0054747 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.6 CC(C)C1COCCN1 CS-W019094 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.6 CC(C)[C@@H]1COCCN1 CS-0098379 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.6 CC(C)[C@@H]1COCCN1 CS-0146951 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.6 CC(C)[C@H]1COCCN1 CS-0098377 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.6 CC(C)[C@H]1COCCN1 CS-0146949 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.40 CC1(C)CCCCC1=O CS-W008668 [0,1,0,1,0,0|1,0,0]=3 270 B9R1.40 CC1(C)CCCOC1=O CS-0097007 [0,1,0,1,0,0|0,0,0]=2 271 B9R1.40 CC1(C)CNCCC1=O CS-0019268 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.40 CC1(C)NCCNC1=O CS-W021790 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.35 CC(=O)N1CCC(O)C1 CS-0155043 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.35 CC(=O)N1CC[C@@H](O)C1 CS-0052712 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.35 CC(C)C1CNC(=O)C1 CS-0046667 [0,1,0,1,0,0|1,0,0]=3 276 B9R1.35 CC(C)C1COC(=O)N1 CS-0076533 [0,1,0,1,0,0|0,0,0]=2 277 B9R1.35 CC(C)[C@@H]1COC(=O)N1 CS-W002320 [0,1,0,1,0,0|0,0,0]=2 278 B9R1.35 CC(C)[C@@H]1COC(=S)N1 CS-0093694 [0,1,0,1,0,0|0,1,0]=3 279 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 CS-0097413 [0,1,0,1,0,0|0,2,0]=4 280 B9R1.35 CC(C)[C@H]1COC(=O)N1 CS-W002062 [0,1,0,1,0,0|0,0,0]=2 281 B9R1.35 CC(C)[C@H]1COC(=S)N1 CS-W016360 [0,1,0,1,0,0|0,1,0]=3 282 B9R1.35 CC(C)[C@H]1CSC(=S)N1 CS-0093689 [0,1,0,1,0,0|0,2,0]=4 283 B9R1.35 CN1CCC(C(=O)O)C1 CS-0005397 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.35 NC1CCC(C(=O)O)C1 CS-0119364 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0047789 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0035738 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0166792 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 CS-0162383 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.35 O=C(O)C1CCC(Br)C1 CS-0380404 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.10 CC1(C)C=CC(=O)CC1 CS-0128266 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.133 CC1(C)OC[C@H](C=O)O1 CS-0009587 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.138 CC1(C)COC(=O)C1=O CS-0065829 [0,1,0,1,0,0|2,0,0]=4 297 B9R2.39 O=C1CC2CCC1C2 CS-0072123 [0,0,0,2,0,0|1,0,0]=3 298 B9R2.39 O=C1NC2CCC1C2 CS-B1546 [0,0,0,2,0,0|2,0,0]=4 299 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 CS-0131290 [0,0,0,2,0,0|2,0,0]=4 300 B9R2.109 O=C1CCCC2CC12 CS-0049777 [0,0,0,2,0,0|1,0,0]=3 301 B9R2.109 O=C1CCCC2OC12 CS-0155446 [0,0,0,2,0,0|2,0,0]=4 302 B9R2.5 O=C1CCCC12CC2 CS-0139731 [0,0,0,2,0,0|1,0,0]=3 303 B9R2.5 O=C1NCCC12CC2 CS-0133442 [0,0,0,2,0,0|1,0,0]=3 304 B9R2.36 O=C1CCC1C2CC2 CS-0670396 [0,0,0,2,0,0|1,0,0]=3