0 B7R0.4 C#CCCCN(C)C CS-0966989 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C=CCCC[C@H](C)O CS-1049849 [0,0,0,0,0,0|0,0,4]=4 2 B7R0.4 CC(=O)CCCCO CS-0514254 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.4 CCCCCC(N)=O CS-0128758 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.4 O=[N+]([O-])CCCCO CS-0198124 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.4 CC(C)CCCN CS-0252871 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CNCCC(C)O CS-0459922 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 CSCCC(C)O CS-0242060 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.4 O=C(O)CCCF CS-0491783 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.6 C#CCCCCBr CS-0248001 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.6 C#CCCNCC CS-0891938 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.6 CCCCCCO CS-0076046 [1,0,0,0,0,0|0,0,2]=3 12 B8R0.5 CCOC(C)SC(C)=O CS-0160359 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.5 COCC(C)NC(N)=O CS-0221703 [0,1,0,0,0,0|3,0,0]=4 14 B8R0.6 CCCCCC(=O)O[Na] CS-0152338 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.6 OCCCCC(O)CO CS-W013379 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.7 CCCC\C=C\C(=O)O CS-0161412 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.7 COCCOCC(=O)O CS-0527874 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.7 NCCCNCC(=O)O CS-0119868 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.7 NCCNCCC(=O)[O-] CS-0162521 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.7 NCCOCCC(=O)O CS-0114519 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.9 NC[C@@H](N)CCC(=O)O CS-0539323 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.1 C=CC1CCC(=O)N1 CS-0315611 [0,0,0,1,0,0|1,0,2]=4 23 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [0,0,0,1,0,0|1,0,0]=2 25 B8R1.1 CN1CC[C@H](CO)C1 CS-0053041 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.1 CNC1CCN(C)C1 CS-0056645 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.1 CO[C@H]1CC[C@H](N)C1 CS-0613346 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.1 N#CC1CNC(=O)C1 CS-0050413 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.1 N#C[C@H]1CCC(=O)C1 CS-0476471 [0,0,0,1,0,0|1,0,1]=3 30 B8R1.1 O=C1CC[C@@H](CO)O1 CS-W002306 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 CC1CC(O)CCO1 CS-0051835 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.4 CC1CCNC(=O)C1 CS-0052341 [0,0,0,1,0,0|1,0,0]=2 35 B8R1.4 C[C@@H]1CCC[C@H](N)C1 CS-0309584 [0,0,0,1,0,0|1,0,1]=3 36 B8R1.4 C[C@@H]1C[C@H](O)CCO1 CS-0472514 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.4 C[C@H]1CNC[C@H](C)N1 CS-0001867 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.4 N[C@H]1CCC[C@@H](O)C1 CS-0042346 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.6 CN1CC(CCN)C1 CS-0172752 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.6 COCC1CC(N)C1 CS-0051675 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.7 CC(=O)C1CC=CC1 CS-0640323 [0,0,0,1,0,0|0,0,2]=3 42 B8R1.7 CC(=O)C1CCOC1 CS-W004273 [0,0,0,1,0,0|1,0,0]=2 43 B8R1.7 CC(=O)[C@@H]1CCCO1 CS-0444349 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.7 CC(N)C1CCOC1 CS-0486993 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.7 CC(O)C1CCNC1 CS-0033515 [0,0,0,1,0,0|1,0,2]=4 46 B8R1.7 CN(C)C1CCNC1 CS-W022911 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.7 CN(C)[C@H]1CCNC1 CS-W016864 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.7 C[C@@H](N)C1CCCC1 CS-0135387 [0,0,0,1,0,0|1,0,1]=3 49 B8R1.7 N=C(N)C1CCCN1 CS-WAA0204 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,0,0,1,0,0|1,0,0]=2 51 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O CS-0160090 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.34 O=C(O)CN1CCC1 CS-0254192 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.72 CP1(=O)CCNCC1 CS-0132047 [0,0,0,1,0,0|2,0,0]=3 54 B5R0.1 CCC[C@@H](C)O CS-0198768 [2,0,0,0,0,0|0,0,2]=4 55 B5R0.2 C=CCCCO CS-W011355 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.2 COC(=O)CC(C)=O CS-0017265 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.3 COC(=O)CCCO CS-0042326 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.3 O=C(CBr)CCCBr CS-1172752 [1,1,0,0,0,0|1,0,0]=3 60 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.6 CC(=O)NCC(C)O CS-0223956 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.6 CC(C)CC[N+](=O)[O-] CS-0252338 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.8 CCCC[Si](C)(C)C CS-0612460 [1,1,0,0,0,0|1,1,0]=4 65 B7R0.1 C#CCCCCCN CS-0864774 [1,1,0,0,0,0|0,0,2]=4 66 B7R0.1 C=CCCCCCO CS-0185704 [1,1,0,0,0,0|0,0,1]=3 67 B7R0.1 COCCOCCO CS-0116091 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.7 CCC[C@@H](N)CCO CS-0162168 [1,1,0,0,0,0|0,0,2]=4 69 B9R0.4 NCCC[C@H](N)CC(=O)O CS-0539406 [0,2,0,0,0,0|1,0,0]=3 70 B9R0.34 CCOC(=O)CC(=O)CO CS-0093884 [0,2,0,0,0,0|1,0,1]=4 71 B9R0.1 COC(=O)CCCC(C)Br CS-0884141 [0,2,0,0,0,0|0,0,0]=2 72 B9R0.46 COC(=O)CCOCCN CS-0926565 [0,2,0,0,0,0|1,0,0]=3 73 B9R0.47 C=C(C)C(=O)OCCSC CS-0504469 [0,2,0,0,0,0|2,0,0]=4 74 B9R0.47 NCCSC[C@H](N)C(=O)O CS-0086292 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.47 [C@H](N)(CCCCN)C(=O)O CS-W015322 [0,2,0,0,0,0|1,0,0]=3 76 B9R0.2 CC(=O)OCCCCCCl CS-0154996 [0,2,0,0,0,0|0,0,0]=2 77 B9R0.2 NCCSSCCC(=O)O CS-0115369 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.38 CCCCCCP(=O)(O)O CS-0313519 [0,2,0,0,0,0|2,0,0]=4 79 B9R0.48 CCCC(=O)NCC(=O)O CS-0059624 [0,2,0,0,0,0|1,0,1]=4 80 B9R0.48 CCC[C@@H](C)CCC(=O)O CS-0979123 [0,2,0,0,0,0|1,0,0]=3 81 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0154246 [0,2,0,0,0,0|1,0,0]=3 82 B9R0.43 CCN(CC)CCC(N)=O CS-0370436 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.64 COC(C)(C)CCC(=O)O CS-0867646 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.56 CC(C)(C)OCCC(=O)O CS-0449701 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.56 CC(N)CCCC(C)(C)O CS-0769718 [0,2,0,0,0,0|0,0,2]=4 86 B9R0.56 O=C(O)CCCC(F)(F)F CS-M3258 [0,2,0,0,0,0|2,0,0]=4 87 B7R1.2 C[C@@H]1CC(=O)CN1 CS-0656263 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.2 C[C@H]1CC[C@H](C)N1 CS-0111295 [1,0,0,1,0,0|1,0,1]=4 89 B7R1.3 C=C1CCNCC1 CS-0642791 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.3 CC1=NCCCC1 CS-1176015 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.10 CCC1CC(=O)C1 CS-0056231 [1,0,0,1,0,0|0,0,0]=2 92 B7R1.12 C[C@H]1C[C@H]1C(=O)O CS-0368383 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.18 CC(=O)N1CCC1 CS-0240228 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.18 C[C@@H](N)C1CCC1 CS-0055818 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.18 NC(=S)C1CCC1 CS-0308165 [1,0,0,1,0,0|1,1,0]=4 97 B7R1.1 CC[C@@H]1CCCN1 CS-0452663 [1,0,0,1,0,0|1,0,1]=4 98 B7R1.1 CC[C@@H]1CCNC1 CS-0053328 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.1 FCC1CCNC1 CS-0614521 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.1 NOC1CCCC1 CS-0634533 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.1 OC[C@@H]1CCOC1 CS-0053251 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.4 CN1CNCC1=O CS-0620292 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.4 O=C1NCCC1F CS-0467788 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.7 CCOC1CCC(=O)N1 CS-0527529 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.13 C[C@@H](N)CC1CCCC1 CS-0904354 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.13 C[C@H](O)CN1CCCC1 CS-0475737 [0,1,0,1,0,0|0,0,2]=4 107 B9R1.13 NC(=O)C[C@H]1CCCN1 CS-0757957 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.41 CN1CSC[C@H]1C(=O)O CS-0714189 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.48 O=C1CC(O)CCCN1 CS-0568375 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.53 O=C(O)CN1CC(F)C1 CS-0624091 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.66 CC1(C)CNCC(=O)N1 CS-0185258 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.1 O=C1CCC(CBr)CC1 CS-0139175 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.1 O=C1CCC(CO)CN1 CS-W022263 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.1 O=C1COC(CBr)CN1 CS-0851899 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.2 CCC1CC(=O)CCN1 CS-0443395 [0,1,0,1,0,0|0,0,0]=2 116 B9R1.2 CN[C@H]1CCCN(C)C1 CS-0101868 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.2 CO[C@H]1CCC[C@@H](N)C1 CS-0128615 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.3 CC1CCCC(N)C1C CS-0239101 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.5 CN1CCCCCC1=O CS-0151090 [0,1,0,1,0,0|0,0,0]=2 120 B9R1.11 CCC(=O)C1CCOC1 CS-0264121 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.11 COC(=O)C1CCSC1 CS-0892084 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.11 NC(CO)C1CCCC1 CS-0215067 [0,1,0,1,0,0|1,0,1]=4 123 B9R1.50 OC1CCCCCCC1 CS-0204887 [0,1,0,1,0,0|0,0,2]=4 124 B9R1.79 NCC(=O)NC1CCC1 CS-0285762 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.88 C#C[C@H]1C[C@H]1C(=O)OC CS-0568398 [0,1,0,1,0,0|0,0,2]=4 126 B9R1.88 COC(=O)[C@@H]1O[C@@H]1CBr CS-0638423 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.89 OC[C@@H]1CCCCCN1 CS-B0632 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.132 CN1C(=O)CC[C@@H]1CO CS-0143902 [0,1,0,1,0,0|1,0,0]=3 129 B9R1.132 CN1C(=O)CC[C@H]1CO CS-0197567 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.6 CC(=O)C1CCCCO1 CS-0863898 [0,1,0,1,0,0|0,0,0]=2 131 B9R1.6 CC(=O)C1CCCOC1 CS-0308732 [0,1,0,1,0,0|0,0,0]=2 132 B9R1.6 C[C@@H](N)C1CCCCC1 CS-0136581 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.6 C[C@H](N)C1CCCCC1 CS-0343285 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.84 O=C(O)CCN1CCC1 CS-W020473 [0,1,0,1,0,0|1,0,0]=3 135 B9R1.96 CN(C)[C@H]1CC[C@H]1CO CS-0044844 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.148 O=S1(=O)CCCNCC1 CS-0467727 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.23 CN1CC(CI)CC1=O CS-0309949 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.23 CN1C[C@@H](CN)CC1=O CS-0501438 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.35 CC1CCC(C(=O)O)C1 CS-0217541 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.35 CN1CCC(C(=O)O)C1 CS-0058763 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 CS-0035602 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 CS-0340668 [0,1,0,1,0,0|1,0,0]=3 143 B9R1.110 CC(C(=O)O)C1CCC1 CS-0254257 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.110 N[C@H](C(=O)O)C1COC1 CS-0368615 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.110 O=C(O)C(F)C1CCC1 CS-0633846 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.163 CC1(C(=O)O)CCNC1 CS-0094056 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.163 C[C@]1(C(=O)O)CCCN1 CS-M0572 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.163 [2H]C1(C(=O)O)CCCN1 CS-0379990 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.19 CS(=N)(=O)C1CCCC1 CS-0628377 [0,1,0,1,0,0|1,0,0]=3 150 B9R1.170 O=C(O)CC1CC1(F)F CS-0055996 [0,1,0,1,0,0|2,0,0]=4 151 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 CS-1009716 [0,0,0,2,0,0|2,0,0]=4 152 B9R2.110 OC12CCC(CC1)C2 CS-0128859 [0,0,0,2,0,0|0,0,2]=4 153 B9R2.139 O=C1NCC2(CC2)O1 CS-0310316 [0,0,0,2,0,0|2,0,0]=4 154 B9R2.138 O=C1CC2(CCC2)N1 CS-0264681 [0,0,0,2,0,0|1,0,0]=3 155 B9R2.138 O=C1CC2(COC2)C1 CS-0051820 [0,0,0,2,0,0|1,0,0]=3