0 B6R0.1 CCOC(=N)CC CS-0047019 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CNCC(=O)NC CS-0039124 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 COC(=O)CCO CS-0022864 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C=CC[C@H](C)O CS-0081915 [1,0,0,0,0,0|0,0,2]=3 4 B5R0.1 CC(F)CCN CS-0104778 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CCC[C@H](C)N CS-W006528 [1,0,0,0,0,0|1,0,0]=2 6 B5R0.1 CN(C)CCBr CS-W004693 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 COC[C@@H](C)N CS-W019198 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 C[C@H](N)CCO CS-W019851 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 C[C@H](O)CCO CS-W016671 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.2 CNCCCO CS-W007469 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.2 COCCNN CS-0035845 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.2 NNCCCO CS-0047562 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.3 CC(CN)CCl CS-0038279 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.3 CCC(C)NN CS-0035425 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.3 CCC(F)CN CS-0104693 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.3 CO[C@H](C)CO CS-W011349 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.3 OCC(O)CO CS-B1784 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.3 OC[C@@H](O)CF CS-0022575 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.3 OC[C@H](O)CF CS-0022569 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.3 COC(=O)CCCN CS-W019991 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.7 COCC(=O)COC CS-W007070 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.11 CC(C)(CO)CCO CS-0046905 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.11 CCS(=O)(=O)CCCl CS-0037285 [0,1,0,0,0,0|2,0,1]=4 28 B7R1.1 NCC1CCCC1 CS-D0472 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.1 OCC1CCCN1 CS-W007622 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.1 OCC1CCNC1 CS-W019882 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,0,0,1,0,0|1,0,0]=2 35 B7R1.2 CN1CC[C@@H](N)C1 CS-0053339 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,0,0,1,0,0|1,0,2]=4 37 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-0053617 [0,0,0,1,0,0|1,0,0]=2 38 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-W018626 [0,0,0,1,0,0|1,0,0]=2 39 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-B1526 [0,0,0,1,0,0|1,0,0]=2 40 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0053559 [0,0,0,1,0,0|1,0,0]=2 41 B7R1.2 OC1CCC(O)C1 CS-0049625 [0,0,0,1,0,0|1,0,0]=2 42 B7R1.3 BrC1CCCOC1 CS-W019418 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.3 FC1CCNCC1 CS-0040905 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.3 O=C1CCCSC1 CS-D0446 [0,0,0,1,0,0|1,0,2]=4 50 B7R1.3 O=C1CCOCC1 CS-D0601 [0,0,0,1,0,0|1,0,2]=4 51 B7R1.3 O=S1CCNCC1 CS-0043941 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.3 OC1CCCCO1 CS-0015921 [0,0,0,1,0,0|1,0,0]=2 53 B7R1.4 C[C@H]1CCC[C@H]1N CS-0079949 [0,0,0,1,0,0|1,0,0]=2 54 B7R1.4 C[C@H]1CCC[C@H]1O CS-0036366 [0,0,0,1,0,0|0,0,0]=1 55 B7R1.4 C[C@H]1COC[C@@H]1O CS-0037574 [0,0,0,1,0,0|1,0,0]=2 56 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0042168 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0058680 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.5 CCCC1ON1C CS-M0757 [0,0,0,1,0,0|1,0,0]=2 63 B7R1.6 COCC1CNC1 CS-W023140 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.6 N#CCC1CCC1 CS-0079983 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.6 OCCN1CCC1 CS-D0268 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.10 CC1CC(CN)C1 CS-0036376 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.10 CCN1CC(N)C1 CS-0052567 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.10 CNC1CC(C)C1 CS-0036338 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.10 CO[C@H]1C[C@H](N)C1 CS-0045545 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.25 COC1(C)CNC1 CS-0035135 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.25 NC1(CO)CCC1 CS-0053661 [0,0,0,1,0,0|2,0,0]=3 72 B4R0.1 C[C@@H](N)CF CS-0104382 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 C[C@H](N)CF CS-0090252 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.2 ClCCCI CS-W018493 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.2 CC(C)NC(C)C CS-B1708 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.3 CNC(C)C(C)C CS-W000156 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.4 CC(C)NCCCl CS-W006300 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.5 CC(C)(F)CCN CS-0061673 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.5 CC(C)(N)CCO CS-W004889 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.5 CNCC(C)(C)C CS-W020152 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.6 CC#CCCCO CS-0047308 [1,1,0,0,0,0|0,0,2]=4 84 B6R0.6 CNCCCCO CS-W006493 [1,1,0,0,0,0|1,0,0]=3 85 B8R0.24 C[N+](C)(C)C[C@@H](O)CCl CS-0102622 [0,2,0,0,0,0|2,0,0]=4 86 B8R0.24 C[N+](C)(C)C[C@H](O)CCl CS-0102620 [0,2,0,0,0,0|2,0,0]=4 87 B8R0.1 CCOC(=O)CCCI CS-0029516 [0,2,0,0,0,0|0,0,2]=4 88 B8R0.11 CO[C@H](CI)OCCI CS-0011329 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.11 CO[C@H](CO)OCCO CS-0011330 [0,2,0,0,0,0|2,0,0]=4 90 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [1,0,0,1,0,0|1,0,0]=3 91 B6R1.2 FC1CCNC1 CS-W005668 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [1,0,0,1,0,0|2,0,0]=4 93 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [1,0,0,1,0,0|2,0,0]=4 94 B6R1.2 OC1CCOC1 CS-M0786 [1,0,0,1,0,0|1,0,0]=3 95 B6R1.2 O[C@H]1CCOC1 CS-D0600 [1,0,0,1,0,0|1,0,0]=3 96 B6R1.3 CCNC1CC1 CS-0046972 [1,0,0,1,0,0|2,0,0]=4 97 B6R1.3 OCC[C@@H]1CO1 CS-0057154 [1,0,0,1,0,0|1,0,0]=3 98 B6R1.5 CC1CC(N)C1 CS-W006905 [1,0,0,1,0,0|1,0,0]=3 99 B6R1.5 NC1CC(F)C1 CS-0045538 [1,0,0,1,0,0|2,0,0]=4 100 B6R1.5 NC1CC(O)C1 CS-W003832 [1,0,0,1,0,0|1,0,0]=3 101 B6R1.5 N[C@H]1C[C@@H](O)C1 CS-W022615 [1,0,0,1,0,0|1,0,0]=3 102 B6R1.8 C[C@@H]1C[C@H]1CN CS-0039743 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.10 CC1(O)COC1 CS-W005276 [1,0,0,1,0,0|1,0,0]=3 104 B6R1.6 N#CC1CCC1 CS-0007644 [1,0,0,1,0,0|1,0,1]=4 105 B6R1.6 NCC1CCC1 CS-W004986 [1,0,0,1,0,0|1,0,0]=3 106 B6R1.6 NCC1CCC1 CS-W022619 [1,0,0,1,0,0|1,0,0]=3 107 B6R1.6 NNC1CCC1 CS-D1710 [1,0,0,1,0,0|2,0,0]=4 108 B6R1.7 CC1(CN)CC1 CS-0037189 [1,0,0,1,0,0|2,0,0]=4 109 B6R1.7 NCC1(O)CC1 CS-W005471 [1,0,0,1,0,0|1,0,0]=3 110 B6R1.7 OCC1(O)CC1 CS-0037029 [1,0,0,1,0,0|1,0,0]=3 111 B8R1.1 NCC1CCC(F)C1 CS-0037976 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.1 NCC1CCC(O)C1 CS-0038957 [0,1,0,1,0,0|0,0,0]=2 113 B8R1.4 CC1CNCC(C)N1 CS-W013629 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.4 CN1CCC[C@@H](N)C1 CS-0030803 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.4 C[C@H]1CN(C)CCN1 CS-0054951 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.4 N[C@H]1CCC[C@@H](N)C1 CS-0047588 [0,1,0,1,0,0|1,0,0]=3 117 B8R1.4 N[C@H]1CCC[C@@H](O)C1 CS-0047350 [0,1,0,1,0,0|0,0,0]=2 118 B8R1.51 NC1CCC(F)(F)C1 CS-0038956 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.2 BrCC1CCCCC1 CS-W007517 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.2 C#CC1CCCNC1 CS-0040070 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.2 CCC1CNCCO1 CS-0080681 [0,1,0,1,0,0|0,0,0]=2 122 B8R1.2 CCC1COCCN1 CS-0059261 [0,1,0,1,0,0|1,0,0]=3 123 B8R1.2 N#CC1CCCCO1 CS-0047273 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.2 NCC1CCCNC1 CS-0028231 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.2 NNC1CCCCC1 CS-0047552 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.2 NNC1CCOCC1 CS-0047579 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.2 OCC1COCCN1 CS-0053095 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.2 OCC1COCCN1 CS-0104915 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.2 OC[C@H]1COCCN1 CS-0031401 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.3 CN1CCC(Br)CC1 CS-0054167 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W011254 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.3 NC1CCC(Br)CC1 CS-0039218 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.3 NN1CCC(O)CC1 CS-0044231 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.5 CC1NCCCC1O CS-0047280 [0,1,0,1,0,0|0,0,0]=2 136 B8R1.5 NC1CCCCC1=O CS-0099232 [0,1,0,1,0,0|0,0,2]=4 137 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-M2431 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.5 N[C@H]1CCOC[C@@H]1F CS-0047782 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.10 OCCCN1CCC1 CS-D0260 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.22 CC1CCCCCN1 CS-0036910 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.22 CC1CNCCCO1 CS-0038165 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.22 FC1CCCNCC1 CS-0047364 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,1,0,1,0,0|0,0,2]=4 145 B8R1.6 CNCC1CN(C)C1 CS-0053101 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.8 COCC1CCCN1 CS-0036150 [0,1,0,1,0,0|1,0,0]=3 147 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [0,1,0,1,0,0|1,0,0]=3 148 B8R1.11 C[C@H]1OCC[C@H]1CO CS-0037749 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.66 NC1(CCO)CCC1 CS-0044856 [0,1,0,1,0,0|1,0,0]=3 150 B8R1.39 COC(=O)C1(O)CC1 CS-W005559 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.72 CC1(O)CCNCC1 CS-B1024 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.72 CC1(O)CCOCC1 CS-W006621 [0,1,0,1,0,0|1,0,0]=3 153 B8R1.72 FC1(F)CCCNC1 CS-W001579 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.72 FC1(F)CCNCC1 CS-0028285 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.72 FC1(F)CCNCC1 CS-W001440 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.82 CNCC1(CF)CC1 CS-0080194 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.60 OCC1(CBr)COC1 CS-W019428 [0,1,0,1,0,0|2,0,0]=4 158 B8R2.34 C1CC2CCC1N2 CS-W018698 [0,0,0,2,0,0|1,0,0]=3 159 B8R2.34 C1O[C@H]2CN[C@@H]1C2 CS-0044652 [0,0,0,2,0,0|1,0,0]=3 160 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 CS-0036289 [0,0,0,2,0,0|0,0,2]=4 161 B8R2.42 C1CC2(C1)CNC2 CS-0052032 [0,0,0,2,0,0|2,0,0]=4