0 B6R1.1 C1=CCNCC1 CS-W021272 [0,0,0,0,0,0|1,0,1]=2 1 B6R1.1 C1CCNNC1 CS-0038680 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.1 C1CCONC1 CS-W000777 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.1 C1CNCCN1 CS-0214091 [0,0,0,0,0,0|0,0,0]=0 4 B6R1.1 C1CNCCN1 CS-0214115 [0,0,0,0,0,0|0,0,0]=0 5 B6R1.1 C1CSCCN1 CS-W007359 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.1 C1CSCCO1 CS-0155184 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.1 C1CSCCS1 CS-0698377 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.1 C1CSCSC1 CS-W001189 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 BrC1=CCCCC1 CS-0155410 [0,1,0,0,0,0|2,0,1]=4 10 B7R1.3 BrC1=CCOCC1 CS-0069635 [0,1,0,0,0,0|2,0,1]=4 11 B7R1.3 BrC1C=CCCC1 CS-0173469 [0,1,0,0,0,0|2,0,1]=4 12 B7R1.3 BrC1CCCCC1 CS-W017925 [0,1,0,0,0,0|2,0,0]=3 13 B7R1.3 BrC1CCCOC1 CS-W019418 [0,1,0,0,0,0|2,0,0]=3 14 B7R1.3 BrC1CCNCC1 CS-W014130 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 BrC1CCOCC1 CS-W003396 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.3 C=C1CCNCC1 CS-D0508 [0,1,0,0,0,0|1,0,0]=2 17 B7R1.3 CC1=CCCNC1 CS-0050445 [0,1,0,0,0,0|1,0,1]=3 18 B7R1.3 CC1=CCNCC1 CS-W004399 [0,1,0,0,0,0|1,0,1]=3 19 B7R1.3 CC1CCOCC1 CS-0233092 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.3 CC1CCOCO1 CS-0181838 [0,1,0,0,0,0|3,0,0]=4 21 B7R1.3 CC1CNCCO1 CS-0152670 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.3 CC1CNCCO1 CS-D1584 [0,1,0,0,0,0|1,0,0]=2 23 B7R1.3 CC1COCCN1 CS-W009058 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.3 CC1SCCCS1 CS-0094743 [0,1,0,0,0,0|3,0,0]=4 25 B7R1.3 CN1CCNCC1 CS-W017563 [0,1,0,0,0,0|0,0,0]=1 26 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [0,1,0,0,0,0|1,0,0]=2 27 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,1,0,0,0,0|1,0,0]=2 28 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,0,0,0|0,0,0]=1 29 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,1,0,0,0,0|1,0,0]=2 31 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,1,0,0,0,0|1,0,0]=2 32 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,1,0,0,0,0|1,0,0]=2 33 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [0,1,0,0,0,0|1,0,0]=2 34 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,0,0,0|1,0,0]=2 35 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,1,0,0,0,0|1,0,0]=2 36 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,1,0,0,0,0|1,0,0]=2 37 B7R1.3 ClC1CCCCC1 CS-0198086 [0,1,0,0,0,0|2,0,0]=3 38 B7R1.3 ClC1CCNCC1 CS-W006160 [0,1,0,0,0,0|1,0,0]=2 39 B7R1.3 ClC1CCOCC1 CS-W016579 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.3 FC1CCCNC1 CS-W001632 [0,1,0,0,0,0|1,0,0]=2 41 B7R1.3 FC1CCNCC1 CS-0040905 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.3 FC1CCNCC1 CS-0101735 [0,1,0,0,0,0|1,0,0]=2 43 B7R1.3 F[C@@H]1CCCNC1 CS-0053327 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.3 IC1CCCCC1 CS-0148628 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.3 IC1CCNCC1 CS-0145320 [0,1,0,0,0,0|1,0,0]=2 46 B7R1.3 IC1CCOCC1 CS-W004278 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.3 NC1CC=CCC1 CS-0076943 [0,1,0,0,0,0|2,0,1]=4 48 B7R1.3 NC1CCCCC1 CS-W013335 [0,1,0,0,0,0|2,0,0]=3 49 B7R1.3 NC1CCCNC1 CS-W002078 [0,1,0,0,0,0|1,0,0]=2 50 B7R1.3 NC1CCCOC1 CS-0044162 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.3 NC1CCCOC1 CS-0069616 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.3 NC1CCOCC1 CS-B0654 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.3 NC1CCOCC1 CS-W002372 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.3 NC1CCSCC1 CS-0043960 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.3 NC1CCSCC1 CS-W000397 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.3 NN1CCCCC1 CS-W007639 [0,1,0,0,0,0|1,0,0]=2 57 B7R1.3 NN1CCOCC1 CS-W001074 [0,1,0,0,0,0|1,0,0]=2 58 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,1,0,0,0,0|1,0,0]=2 59 B7R1.3 N[C@@H]1CCCNC1 CS-W009139 [0,1,0,0,0,0|1,0,0]=2 60 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.3 O=C1C=CCCN1 CS-W006454 [0,1,0,0,0,0|1,0,2]=4 62 B7R1.3 O=C1CCCCN1 CS-W022933 [0,1,0,0,0,0|1,0,1]=3 63 B7R1.3 O=C1CCCCO1 CS-W013713 [0,1,0,0,0,0|2,0,1]=4 64 B7R1.3 O=C1CCCNC1 CS-0048756 [0,1,0,0,0,0|1,0,1]=3 65 B7R1.3 O=C1CCCNC1 CS-0185548 [0,1,0,0,0,0|1,0,1]=3 66 B7R1.3 O=C1CCCOC1 CS-D1576 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.3 O=C1CCCSC1 CS-D0446 [0,1,0,0,0,0|2,0,1]=4 68 B7R1.3 O=C1CCOCC1 CS-D0601 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.3 O=C1CCSCC1 CS-W002007 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.3 O=C1CNCCN1 CS-B0039 [0,1,0,0,0,0|0,0,1]=2 71 B7R1.3 O=C1CNCCO1 CS-0098127 [0,1,0,0,0,0|1,0,1]=3 72 B7R1.3 O=C1COCCN1 CS-D1427 [0,1,0,0,0,0|1,0,1]=3 73 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,0,0,0|2,0,1]=4 74 B7R1.3 O=C1CSCCN1 CS-W019146 [0,1,0,0,0,0|1,0,1]=3 75 B7R1.3 O=C1NCCCO1 CS-0088044 [0,1,0,0,0,0|2,0,1]=4 76 B7R1.3 O=S1CCNCC1 CS-0043941 [0,1,0,0,0,0|1,0,0]=2 77 B7R1.3 OC1C=CCCC1 CS-W011333 [0,1,0,0,0,0|2,0,1]=4 78 B7R1.3 OC1CC=CCC1 CS-0161778 [0,1,0,0,0,0|2,0,1]=4 79 B7R1.3 OC1CCCCC1 CS-0017198 [0,1,0,0,0,0|2,0,0]=3 80 B7R1.3 OC1CCCCO1 CS-0015921 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,0,0,0|1,0,0]=2 82 B7R1.3 OC1CCCNC1 CS-W013706 [0,1,0,0,0,0|1,0,0]=2 83 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,0,0,0|2,0,0]=3 84 B7R1.3 OC1CCNCC1 CS-W002165 [0,1,0,0,0,0|1,0,0]=2 85 B7R1.3 OC1CCNCC1 CS-W004328 [0,1,0,0,0,0|1,0,0]=2 86 B7R1.3 OC1CCOCC1 CS-W004264 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.3 OC1CCSCC1 CS-D1275 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.3 OC1CNCCO1 CS-W006148 [0,1,0,0,0,0|1,0,0]=2 89 B7R1.3 OC1COCOC1 CS-W016639 [0,1,0,0,0,0|3,0,0]=4 90 B7R1.3 ON1CCCCC1 CS-W016646 [0,1,0,0,0,0|1,0,0]=2 91 B7R1.3 O[C@@H]1CCCNC1 CS-0053770 [0,1,0,0,0,0|1,0,0]=2 92 B7R1.3 O[C@H]1CCCNC1 CS-0029964 [0,1,0,0,0,0|1,0,0]=2 93 B7R1.3 O[C@H]1CCCNC1 CS-W003070 [0,1,0,0,0,0|1,0,0]=2 94 B7R1.3 S=C1CCCCC1 CS-0661522 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.3 S=C1NCCCN1 CS-0073474 [0,1,0,0,0,0|2,0,1]=4 96 B7R1.3 [C@@H]1(N)CCCOC1 CS-W006989 [0,1,0,0,0,0|2,0,0]=3 97 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,1,0,0,0,0|1,0,0]=2 98 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [0,1,0,0,0,0|1,0,0]=2 99 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,1,0,0,0,0|1,0,0]=2 100 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,0,0,0|0,0,0]=1 101 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,1,0,0,0,0|1,0,0]=2 102 B5R0.2 BrCCCCBr CS-W020631 [0,0,1,0,0,0|3,0,0]=4 103 B5R0.2 C#CCCCN CS-0038434 [0,0,1,0,0,0|1,0,2]=4 104 B5R0.2 C=CCCNC CS-0197692 [0,0,1,0,0,0|1,0,1]=3 105 B5R0.2 CCC#CCBr CS-0188171 [0,0,1,0,0,0|2,0,1]=4 106 B5R0.2 CCC#CCO CS-0143646 [0,0,1,0,0,0|2,0,1]=4 107 B5R0.2 CCCCON CS-0106180 [0,0,1,0,0,0|2,0,0]=3 108 B5R0.2 CCNCCO CS-0076051 [0,0,1,0,0,0|1,0,0]=2 109 B5R0.2 CCSCCN CS-0663845 [0,0,1,0,0,0|1,0,0]=2 110 B5R0.2 CNCCC#N CS-W011357 [0,0,1,0,0,0|2,0,0]=3 111 B5R0.2 CNCCCCl CS-0150991 [0,0,1,0,0,0|2,0,0]=3 112 B5R0.2 CNCCCO CS-W007469 [0,0,1,0,0,0|2,0,0]=3 113 B5R0.2 COCCC#N CS-0030563 [0,0,1,0,0,0|3,0,0]=4 114 B5R0.2 COCCCBr CS-W010945 [0,0,1,0,0,0|3,0,0]=4 115 B5R0.2 COCCNN CS-0249520 [0,0,1,0,0,0|2,0,0]=3 116 B5R0.2 CSCCCO CS-0015993 [0,0,1,0,0,0|3,0,0]=4 117 B5R0.2 C\C=C\CCO CS-0162245 [0,0,1,0,0,0|2,0,1]=4 118 B5R0.2 ClCCCCBr CS-W017647 [0,0,1,0,0,0|3,0,0]=4 119 B5R0.2 ClCCCCI CS-W019348 [0,0,1,0,0,0|3,0,0]=4 120 B5R0.2 FCCCCBr CS-W018025 [0,0,1,0,0,0|3,0,0]=4 121 B5R0.2 ICCCCI CS-W004871 [0,0,1,0,0,0|3,0,0]=4 122 B5R0.2 N#CCCNN CS-W001874 [0,0,1,0,0,0|3,0,0]=4 123 B5R0.2 NCC#CCN CS-0073026 [0,0,1,0,0,0|2,0,1]=4 124 B5R0.2 NCCCCBr CS-W005399 [0,0,1,0,0,0|2,0,0]=3 125 B5R0.2 NCCCCCl CS-0158355 [0,0,1,0,0,0|2,0,0]=3 126 B5R0.2 NCCCCO CS-W002041 [0,0,1,0,0,0|2,0,0]=3 127 B5R0.2 NC\C=C/CCl CS-M0797 [0,0,1,0,0,0|2,0,1]=4 128 B5R0.2 NC\C=C/CN CS-WAA0092 [0,0,1,0,0,0|2,0,1]=4 129 B5R0.2 NC\C=C\CN CS-0374306 [0,0,1,0,0,0|2,0,1]=4 130 B5R0.2 OCCCCBr CS-W000344 [0,0,1,0,0,0|3,0,0]=4 131 B5R0.2 OCCCCCl CS-0022417 [0,0,1,0,0,0|3,0,0]=4 132 B5R0.2 OCCCCF CS-0116811 [0,0,1,0,0,0|3,0,0]=4 133 B5R0.2 OCCNCO CS-0203827 [0,0,1,0,0,0|2,0,0]=3 134 B5R0.2 [N-]=[N+]=NCCN CS-0644784 [0,0,1,0,0,0|2,0,1]=4 135 B7R2.13 C1=CC2OC2C1 CS-0670603 [0,0,0,1,0,0|2,0,1]=4 136 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,1,0,0|1,0,0]=2 137 B7R2.13 C1OCC2OC12 CS-W016680 [0,0,0,1,0,0|2,0,0]=3 138 B5R1.1 C1=CCNC1 CS-W016634 [0,0,0,0,1,0|0,0,2]=3 139 B5R1.1 C1CCNC1 CS-0162629 [0,0,0,0,1,0|0,0,0]=1 140 B5R1.1 C1CNNC1 CS-0210819 [0,0,0,0,1,0|1,0,0]=2 141 B5R1.1 C1CNOC1 CS-0179756 [0,0,0,0,1,0|1,0,0]=2 142 B5R1.1 C1CSCN1 CS-0006687 [0,0,0,0,1,0|1,0,0]=2 143 B5R1.1 C1CSCN1 CS-M1684 [0,0,0,0,1,0|1,0,0]=2 144 B7R1.24 C1CNCCNC1 CS-W007768 [0,0,0,0,0,1|0,0,0]=1 145 B7R1.24 C1CNCCOC1 CS-0171615 [0,0,0,0,0,1|1,0,0]=2 146 B7R1.24 C1CNCCOC1 CS-B1101 [0,0,0,0,0,1|1,0,0]=2 147 B4R0.2 BrCCCI CS-0199040 [1,0,1,0,0,0|2,0,0]=4 148 B4R0.2 C#CCCN CS-0059198 [1,0,1,0,0,0|0,0,2]=4 149 B4R0.2 C=CCCN CS-0028781 [1,0,1,0,0,0|0,0,2]=4 150 B4R0.2 CC#CCN CS-0307944 [1,0,1,0,0,0|0,0,2]=4 151 B4R0.2 CCCCN CS-0214149 [1,0,1,0,0,0|0,0,0]=2 152 B4R0.2 CCCNN CS-0152064 [1,0,1,0,0,0|1,0,0]=3 153 B4R0.2 CCNC=O CS-0187584 [1,0,1,0,0,0|1,0,1]=4 154 B4R0.2 CCNCC CS-0160324 [1,0,1,0,0,0|0,0,0]=2 155 B4R0.2 CNCC#N CS-W002073 [1,0,1,0,0,0|0,0,2]=4 156 B4R0.2 CNCCBr CS-0042068 [1,0,1,0,0,0|1,0,0]=3 157 B4R0.2 CNCCCl CS-W019383 [1,0,1,0,0,0|1,0,0]=3 158 B4R0.2 CNCCO CS-0542090 [1,0,1,0,0,0|1,0,0]=3 159 B4R0.2 CNCCO CS-W008875 [1,0,1,0,0,0|1,0,0]=3 160 B4R0.2 COCCBr CS-0015336 [1,0,1,0,0,0|2,0,0]=4 161 B4R0.2 COCCI CS-0139205 [1,0,1,0,0,0|2,0,0]=4 162 B4R0.2 COCCO CS-0179325 [1,0,1,0,0,0|2,0,0]=4 163 B4R0.2 COCCO CS-0200432 [1,0,1,0,0,0|2,0,0]=4 164 B4R0.2 CSCCN CS-0063136 [1,0,1,0,0,0|1,0,0]=3 165 B4R0.2 CSCCO CS-0150086 [1,0,1,0,0,0|2,0,0]=4 166 B4R0.2 CSCSC CS-W013673 [1,0,1,0,0,0|2,0,0]=4 167 B4R0.2 ClCCCI CS-W018493 [1,0,1,0,0,0|2,0,0]=4 168 B4R0.2 FCCCI CS-0121313 [1,0,1,0,0,0|2,0,0]=4 169 B4R0.2 ICCCI CS-W012156 [1,0,1,0,0,0|2,0,0]=4 170 B4R0.2 N#CCCN CS-D1507 [1,0,1,0,0,0|1,0,1]=4 171 B4R0.2 NCCCBr CS-W008585 [1,0,1,0,0,0|1,0,0]=3 172 B4R0.2 NCCCCl CS-0015792 [1,0,1,0,0,0|1,0,0]=3 173 B4R0.2 NCCCN CS-0214047 [1,0,1,0,0,0|1,0,0]=3 174 B4R0.2 NCCCN CS-0214116 [1,0,1,0,0,0|1,0,0]=3 175 B4R0.2 NCCCO CS-W020089 [1,0,1,0,0,0|1,0,0]=3 176 B4R0.2 NCCON CS-M2746 [1,0,1,0,0,0|2,0,0]=4 177 B4R0.2 NOCCO CS-W011361 [1,0,1,0,0,0|2,0,0]=4 178 B4R0.2 OCCCBr CS-W007337 [1,0,1,0,0,0|2,0,0]=4 179 B4R0.2 OCCCF CS-0170820 [1,0,1,0,0,0|2,0,0]=4 180 B4R0.2 OCCCI CS-W015993 [1,0,1,0,0,0|2,0,0]=4 181 B4R0.2 OCCCO CS-W018490 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.1 CC(CO)CCN CS-0154050 [0,1,1,0,0,0|2,0,0]=4 183 B6R0.1 CCCC(Cl)CC CS-0102884 [0,1,1,0,0,0|2,0,0]=4 184 B6R0.1 CCCC(O)CO CS-0017222 [0,1,1,0,0,0|2,0,0]=4 185 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,1,1,0,0,0|2,0,0]=4 186 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,1,0,0,0|2,0,0]=4 187 B6R0.1 CCNC(=O)CBr CS-0239382 [0,1,1,0,0,0|1,0,1]=4 188 B6R0.1 CCOC(=O)CN CS-W020007 [0,1,1,0,0,0|1,0,1]=4 189 B6R0.1 CCOC(C)CC CS-0196425 [0,1,1,0,0,0|2,0,0]=4 190 B6R0.1 CNC(C)COC CS-0301311 [0,1,1,0,0,0|1,0,0]=3 191 B6R0.1 CNCC(O)CO CS-0151017 [0,1,1,0,0,0|2,0,0]=4 192 B6R0.1 COC(=O)CCN CS-W007648 [0,1,1,0,0,0|2,0,0]=4 193 B6R0.1 COCC(O)CN CS-0106474 [0,1,1,0,0,0|2,0,0]=4 194 B6R0.4 CC(=O)NCCO CS-W013689 [0,1,1,0,0,0|1,0,1]=4 195 B6R0.4 CC(=O)OCCN CS-0657679 [0,1,1,0,0,0|1,0,1]=4 196 B6R0.4 CC(Br)CCCBr CS-0204659 [0,1,1,0,0,0|2,0,0]=4 197 B6R0.4 CC(C)CCCBr CS-0154233 [0,1,1,0,0,0|2,0,0]=4 198 B6R0.4 CC(C)CCCO CS-W007511 [0,1,1,0,0,0|2,0,0]=4 199 B6R0.4 CC(C)NCCCl CS-W006300 [0,1,1,0,0,0|1,0,0]=3 200 B6R0.4 CC(C)NCCN CS-0199017 [0,1,1,0,0,0|0,0,0]=2 201 B6R0.4 CC(C)NCCO CS-0076304 [0,1,1,0,0,0|1,0,0]=3 202 B6R0.4 CC(C)OCCBr CS-W018660 [0,1,1,0,0,0|2,0,0]=4 203 B6R0.4 CC(O)CCCO CS-0154051 [0,1,1,0,0,0|2,0,0]=4 204 B6R0.4 CCCCC(=N)N CS-0122242 [0,1,1,0,0,0|1,0,1]=4 205 B6R0.4 CCCCC(N)=S CS-0248646 [0,1,1,0,0,0|1,0,1]=4 206 B6R0.4 CCCC[C@@H](C)O CS-0179419 [0,1,1,0,0,0|2,0,0]=4 207 B6R0.4 CCCC[C@H](C)O CS-0179420 [0,1,1,0,0,0|2,0,0]=4 208 B6R0.4 CCCNC(C)=O CS-0246738 [0,1,1,0,0,0|1,0,1]=4 209 B6R0.4 CCNCC(=O)O CS-0201673 [0,1,1,0,0,0|1,0,1]=4 210 B6R0.4 CCNCC(C)C CS-0071534 [0,1,1,0,0,0|1,0,0]=3 211 B6R0.4 CN(C)CCCBr CS-W003771 [0,1,1,0,0,0|2,0,0]=4 212 B6R0.4 CN(C)CCCCl CS-W004690 [0,1,1,0,0,0|2,0,0]=4 213 B6R0.4 CN(C)CCCCl CS-W019575 [0,1,1,0,0,0|2,0,0]=4 214 B6R0.4 CN(C)CCCN CS-0214111 [0,1,1,0,0,0|2,0,0]=4 215 B6R0.4 CN(C)CCON CS-0145225 [0,1,1,0,0,0|2,0,0]=4 216 B6R0.4 CNCCC(=O)O CS-0112815 [0,1,1,0,0,0|2,0,0]=4 217 B6R0.4 CNCCC(=O)O CS-0169148 [0,1,1,0,0,0|2,0,0]=4 218 B6R0.4 CNCCC(C)C CS-0039334 [0,1,1,0,0,0|1,0,0]=3 219 B6R0.4 CNCCC(N)=O CS-0214971 [0,1,1,0,0,0|2,0,0]=4 220 B6R0.4 CNCCN(C)C CS-W022914 [0,1,1,0,0,0|0,0,0]=2 221 B6R0.4 CS(=O)CCCN CS-0286765 [0,1,1,0,0,0|2,0,0]=4 222 B6R0.4 CSCCC(C)=O CS-0206726 [0,1,1,0,0,0|2,0,0]=4 223 B6R0.4 C[C@@H](N)CCCO CS-0634445 [0,1,1,0,0,0|2,0,0]=4 224 B6R0.4 C[C@H](N)CCCO CS-0652529 [0,1,1,0,0,0|2,0,0]=4 225 B6R0.4 NCCNC(N)=O CS-0139236 [0,1,1,0,0,0|1,0,1]=4 226 B6R0.6 BrCCCCCBr CS-W019956 [0,1,1,0,0,0|2,0,0]=4 227 B6R0.6 BrCCOCCBr CS-W014174 [0,1,1,0,0,0|2,0,0]=4 228 B6R0.6 C#CCCCCN CS-0059697 [0,1,1,0,0,0|1,0,1]=4 229 B6R0.6 C#CCCCCN CS-0106594 [0,1,1,0,0,0|1,0,1]=4 230 B6R0.6 C#CCOCCN CS-0063716 [0,1,1,0,0,0|1,0,1]=4 231 B6R0.6 C#CCOCCN CS-0199315 [0,1,1,0,0,0|1,0,1]=4 232 B6R0.6 C(CC)=CCCO CS-W009552 [0,1,1,0,0,0|2,0,0]=4 233 B6R0.6 C=CCCCCN CS-0210385 [0,1,1,0,0,0|1,0,1]=4 234 B6R0.6 CCC#CCCO CS-0040171 [0,1,1,0,0,0|2,0,0]=4 235 B6R0.6 CCCCCCI CS-0132388 [0,1,1,0,0,0|2,0,0]=4 236 B6R0.6 CCCCCCN CS-0196786 [0,1,1,0,0,0|1,0,0]=3 237 B6R0.6 CCCNCCC CS-0187381 [0,1,1,0,0,0|1,0,0]=3 238 B6R0.6 CCCNCCC CS-0214120 [0,1,1,0,0,0|1,0,0]=3 239 B6R0.6 CCCNCCO CS-0105782 [0,1,1,0,0,0|1,0,0]=3 240 B6R0.6 CCCOCCCl CS-0200392 [0,1,1,0,0,0|2,0,0]=4 241 B6R0.6 CCNCCCN CS-0151962 [0,1,1,0,0,0|0,0,0]=2 242 B6R0.6 CCOCCCO CS-W013685 [0,1,1,0,0,0|2,0,0]=4 243 B6R0.6 CC\C=C/CCO CS-W011323 [0,1,1,0,0,0|2,0,0]=4 244 B6R0.6 CNCCCCBr CS-0163109 [0,1,1,0,0,0|1,0,0]=3 245 B6R0.6 CNCCCCO CS-W006493 [0,1,1,0,0,0|1,0,0]=3 246 B6R0.6 COCCCCBr CS-W021313 [0,1,1,0,0,0|2,0,0]=4 247 B6R0.6 COCCCCCl CS-0039726 [0,1,1,0,0,0|2,0,0]=4 248 B6R0.6 COCCCCO CS-0150179 [0,1,1,0,0,0|2,0,0]=4 249 B6R0.6 CSCCCCO CS-0204406 [0,1,1,0,0,0|2,0,0]=4 250 B6R0.6 ClCCCCCBr CS-W016940 [0,1,1,0,0,0|2,0,0]=4 251 B6R0.6 ClCCCCCI CS-0135342 [0,1,1,0,0,0|2,0,0]=4 252 B6R0.6 ClCCNCCCl CS-W020124 [0,1,1,0,0,0|1,0,0]=3 253 B6R0.6 FCCCCCBr CS-W005161 [0,1,1,0,0,0|2,0,0]=4 254 B6R0.6 ICCCCCI CS-0041009 [0,1,1,0,0,0|2,0,0]=4 255 B6R0.6 ICCOCCI CS-W011980 [0,1,1,0,0,0|2,0,0]=4 256 B6R0.6 NCCCCCBr CS-0006784 [0,1,1,0,0,0|1,0,0]=3 257 B6R0.6 NCCCCCN CS-W017466 [0,1,1,0,0,0|1,0,0]=3 258 B6R0.6 NCCCCCO CS-W013687 [0,1,1,0,0,0|1,0,0]=3 259 B6R0.6 NCCNCCN CS-0498854 [0,1,1,0,0,0|0,0,0]=2 260 B6R0.6 NCCNCCO CS-W011299 [0,1,1,0,0,0|0,0,0]=2 261 B6R0.6 NCCOCCN CS-0114847 [0,1,1,0,0,0|1,0,0]=3 262 B6R0.6 NCCOCCN CS-0115750 [0,1,1,0,0,0|1,0,0]=3 263 B6R0.6 NCCOCCO CS-1013822 [0,1,1,0,0,0|1,0,0]=3 264 B6R0.6 NCCOCCO CS-1013830 [0,1,1,0,0,0|1,0,0]=3 265 B6R0.6 NCCOCCO CS-1014116 [0,1,1,0,0,0|1,0,0]=3 266 B6R0.6 NCCSCCN CS-W013570 [0,1,1,0,0,0|1,0,0]=3 267 B6R0.6 OCCCCCBr CS-0905394 [0,1,1,0,0,0|2,0,0]=4 268 B6R0.6 OCCCCCBr CS-W007393 [0,1,1,0,0,0|2,0,0]=4 269 B6R0.6 OCCCCCCl CS-0095410 [0,1,1,0,0,0|2,0,0]=4 270 B6R0.6 OCCCCCI CS-0252955 [0,1,1,0,0,0|2,0,0]=4 271 B6R0.6 OCCCCCO CS-W020635 [0,1,1,0,0,0|2,0,0]=4 272 B6R0.6 OCCNCCCl CS-0064563 [0,1,1,0,0,0|1,0,0]=3 273 B6R0.6 OCCOCCBr CS-0114928 [0,1,1,0,0,0|2,0,0]=4 274 B6R0.6 OCCOCCCl CS-0016058 [0,1,1,0,0,0|2,0,0]=4 275 B6R0.6 OCCOCCF CS-0199113 [0,1,1,0,0,0|2,0,0]=4 276 B6R0.6 OCCOCCI CS-0139452 [0,1,1,0,0,0|2,0,0]=4 277 B6R1.2 BrC1CCNC1 CS-W005728 [0,1,0,0,1,0|0,0,0]=2 278 B6R1.2 BrC1CCOC1 CS-W004035 [0,1,0,0,1,0|1,0,0]=3 279 B6R1.2 CC1CCNC1 CS-W021968 [0,1,0,0,1,0|0,0,0]=2 280 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [0,1,0,0,1,0|0,0,0]=2 281 B6R1.2 C[C@H]1CCNC1 CS-0040457 [0,1,0,0,1,0|0,0,0]=2 282 B6R1.2 FC1CCNC1 CS-W005668 [0,1,0,0,1,0|0,0,0]=2 283 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,1,0,0,1,0|0,0,0]=2 284 B6R1.2 IC1CCCC1 CS-0067150 [0,1,0,0,1,0|1,0,0]=3 285 B6R1.2 IC1CCOC1 CS-W004266 [0,1,0,0,1,0|1,0,0]=3 286 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [0,1,0,0,1,0|1,0,0]=3 287 B6R1.2 I[C@H]1CCOC1 CS-0053265 [0,1,0,0,1,0|1,0,0]=3 288 B6R1.2 N=C1CCCS1 CS-W016514 [0,1,0,0,1,0|1,0,1]=4 289 B6R1.2 NC1=NCCC1 CS-B0123 [0,1,0,0,1,0|0,0,2]=4 290 B6R1.2 NC1CC=CC1 CS-W022621 [0,1,0,0,1,0|1,0,1]=4 291 B6R1.2 NC1CCNC1 CS-W016190 [0,1,0,0,1,0|0,0,0]=2 292 B6R1.2 NC1CCOC1 CS-D1564 [0,1,0,0,1,0|1,0,0]=3 293 B6R1.2 NC1CCOC1 CS-W011353 [0,1,0,0,1,0|1,0,0]=3 294 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [0,1,0,0,1,0|0,0,0]=2 295 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,1,0,0,1,0|1,0,0]=3 296 B6R1.2 N[C@H]1CCNC1 CS-W013278 [0,1,0,0,1,0|0,0,0]=2 297 B6R1.2 N[C@H]1CCOC1 CS-W019697 [0,1,0,0,1,0|1,0,0]=3 298 B6R1.2 O=C1CCCN1 CS-0197058 [0,1,0,0,1,0|0,0,1]=3 299 B6R1.2 O=C1CCNC1 CS-W005267 [0,1,0,0,1,0|0,0,1]=3 300 B6R1.2 O=C1CCNN1 CS-W001151 [0,1,0,0,1,0|1,0,1]=4 301 B6R1.2 O=C1CCOC1 CS-D1574 [0,1,0,0,1,0|1,0,1]=4 302 B6R1.2 O=C1CCSC1 CS-W011310 [0,1,0,0,1,0|1,0,1]=4 303 B6R1.2 O=C1NCCN1 CS-0075560 [0,1,0,0,1,0|0,0,1]=3 304 B6R1.2 O=C1NCCO1 CS-W007548 [0,1,0,0,1,0|1,0,1]=4 305 B6R1.2 O=C1NCCS1 CS-W023026 [0,1,0,0,1,0|1,0,1]=4 306 B6R1.2 O=S1CCCC1 CS-0207394 [0,1,0,0,1,0|1,0,0]=3 307 B6R1.2 OC1C=CCC1 CS-0451001 [0,1,0,0,1,0|1,0,1]=4 308 B6R1.2 OC1CC=CC1 CS-W002682 [0,1,0,0,1,0|1,0,1]=4 309 B6R1.2 OC1CCNC1 CS-W002985 [0,1,0,0,1,0|0,0,0]=2 310 B6R1.2 OC1CCNC1 CS-W022946 [0,1,0,0,1,0|0,0,0]=2 311 B6R1.2 OC1CCOC1 CS-M0786 [0,1,0,0,1,0|1,0,0]=3 312 B6R1.2 OC1CCSC1 CS-0185375 [0,1,0,0,1,0|1,0,0]=3 313 B6R1.2 OC1CNOC1 CS-0271204 [0,1,0,0,1,0|1,0,0]=3 314 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,1,0,0,1,0|0,0,0]=2 315 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,1,0,0,1,0|0,0,0]=2 316 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,1,0,0,1,0|1,0,0]=3 317 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,1,0,0,1,0|0,0,0]=2 318 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,1,0,0,1,0|0,0,0]=2 319 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,1,0,0,1,0|1,0,0]=3 320 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,1,0,0,1,0|1,0,0]=3 321 B6R1.2 S=C1NCCO1 CS-0097403 [0,1,0,0,1,0|1,0,1]=4 322 B6R1.2 S=C1NCCS1 CS-0008464 [0,1,0,0,1,0|1,0,1]=4 323 B6R1.2 SC1=NCCC1 CS-W013703 [0,1,0,0,1,0|0,0,2]=4 324 B6R1.2 SC1=NCCN1 CS-W011309 [0,1,0,0,1,0|0,0,2]=4 325 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,1,0,0,1,0|0,0,0]=2 326 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,1,0,0,1,0|0,0,0]=2 327 B8R1.22 BrC1=CCCCCC1 CS-0448697 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.22 BrC1CCCCCC1 CS-0146614 [0,1,0,0,0,1|2,0,0]=4 329 B8R1.22 CC1CCCNCC1 CS-0199646 [0,1,0,0,0,1|1,0,0]=3 330 B8R1.22 CN1CCCNCC1 CS-W013631 [0,1,0,0,0,1|0,0,0]=2 331 B8R1.22 ClC1CCCCCC1 CS-0155300 [0,1,0,0,0,1|2,0,0]=4 332 B8R1.22 FC1CCCCNC1 CS-0308682 [0,1,0,0,0,1|1,0,0]=3 333 B8R1.22 NC1CCCCCC1 CS-0071927 [0,1,0,0,0,1|2,0,0]=4 334 B8R1.22 NC1CCCCNC1 CS-W002928 [0,1,0,0,0,1|1,0,0]=3 335 B8R1.22 NC1CCCNCC1 CS-0271304 [0,1,0,0,0,1|1,0,0]=3 336 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [0,1,0,0,0,1|1,0,0]=3 337 B8R1.22 N[C@H]1CCCCNC1 CS-0147270 [0,1,0,0,0,1|1,0,0]=3 338 B8R1.22 O=C1CCCCCN1 CS-W011258 [0,1,0,0,0,1|1,0,0]=3 339 B8R1.22 O=C1CCCCNC1 CS-0155246 [0,1,0,0,0,1|1,0,0]=3 340 B8R1.22 O=C1CCCNCC1 CS-W001845 [0,1,0,0,0,1|1,0,0]=3 341 B8R1.22 O=C1CCNCCN1 CS-W003673 [0,1,0,0,0,1|0,0,0]=2 342 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,1,0,0,0,1|1,0,0]=3 343 B8R1.22 O=C1COCCCN1 CS-0037454 [0,1,0,0,0,1|1,0,1]=4 344 B8R1.22 OC1=NCCNCC1 CS-W011246 [0,1,0,0,0,1|0,0,1]=3 345 B8R1.22 OC1CCCCCC1 CS-W013633 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.22 OC1CCCCNC1 CS-0475252 [0,1,0,0,0,1|1,0,0]=3 347 B8R1.22 OC1CCCNCC1 CS-0038201 [0,1,0,0,0,1|1,0,0]=3 348 B8R1.22 O[C@@H]1CNCCOC1 CS-0311689 [0,1,0,0,0,1|1,0,0]=3 349 B8R1.22 O[C@H]1CNCCOC1 CS-0340560 [0,1,0,0,0,1|1,0,0]=3 350 B8R1.22 O[C@H]1CNCCOC1 CS-0641374 [0,1,0,0,0,1|1,0,0]=3 351 B8R1.2 BrCC1CCCCC1 CS-W007517 [0,2,0,0,0,0|2,0,0]=4 352 B8R1.2 BrCC1CCCCO1 CS-0214963 [0,2,0,0,0,0|2,0,0]=4 353 B8R1.2 BrCC1CCNCC1 CS-W001304 [0,2,0,0,0,0|1,0,0]=3 354 B8R1.2 BrCC1CCOCC1 CS-W003105 [0,2,0,0,0,0|2,0,0]=4 355 B8R1.2 C#CC1CCCCC1 CS-W022720 [0,2,0,0,0,0|2,0,0]=4 356 B8R1.2 C#CC1CCCNC1 CS-0040070 [0,2,0,0,0,0|1,0,0]=3 357 B8R1.2 C#CC1CCNCC1 CS-0050866 [0,2,0,0,0,0|1,0,0]=3 358 B8R1.2 C#CC1CCOCC1 CS-0050867 [0,2,0,0,0,0|2,0,0]=4 359 B8R1.2 CCC1CCNCC1 CS-0147296 [0,2,0,0,0,0|1,0,0]=3 360 B8R1.2 CCC1CNCCN1 CS-D0270 [0,2,0,0,0,0|0,0,0]=2 361 B8R1.2 CCC1CNCCO1 CS-0080681 [0,2,0,0,0,0|1,0,0]=3 362 B8R1.2 CCC1COCCN1 CS-0059261 [0,2,0,0,0,0|1,0,0]=3 363 B8R1.2 CC[C@@H]1CNCCO1 CS-0096526 [0,2,0,0,0,0|1,0,0]=3 364 B8R1.2 CC[C@@H]1COCCN1 CS-0146937 [0,2,0,0,0,0|1,0,0]=3 365 B8R1.2 CC[C@@H]1COCCN1 CS-0146943 [0,2,0,0,0,0|1,0,0]=3 366 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,2,0,0,0,0|0,0,0]=2 367 B8R1.2 CC[C@H]1CNCCO1 CS-0100795 [0,2,0,0,0,0|1,0,0]=3 368 B8R1.2 CC[C@H]1COCCN1 CS-0146945 [0,2,0,0,0,0|1,0,0]=3 369 B8R1.2 CNC1CCCNC1 CS-W016863 [0,2,0,0,0,0|1,0,0]=3 370 B8R1.2 CNC1CCNCC1 CS-0048783 [0,2,0,0,0,0|1,0,0]=3 371 B8R1.2 CNC1CCOCC1 CS-D1570 [0,2,0,0,0,0|2,0,0]=4 372 B8R1.2 COC1CCCCO1 CS-0197358 [0,2,0,0,0,0|2,0,0]=4 373 B8R1.2 COC1CCCNC1 CS-0051284 [0,2,0,0,0,0|1,0,0]=3 374 B8R1.2 COC1CCCNC1 CS-0150202 [0,2,0,0,0,0|1,0,0]=3 375 B8R1.2 COC1CCNCC1 CS-0040128 [0,2,0,0,0,0|1,0,0]=3 376 B8R1.2 COC1CCNCC1 CS-W005038 [0,2,0,0,0,0|1,0,0]=3 377 B8R1.2 CO[C@@H]1CCCNC1 CS-0053772 [0,2,0,0,0,0|1,0,0]=3 378 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [0,2,0,0,0,0|1,0,0]=3 379 B8R1.2 CSC1CCNCC1 CS-0051141 [0,2,0,0,0,0|1,0,0]=3 380 B8R1.2 ClCC1CCNCC1 CS-0051167 [0,2,0,0,0,0|1,0,0]=3 381 B8R1.2 ClCC1CCOCC1 CS-0069602 [0,2,0,0,0,0|2,0,0]=4 382 B8R1.2 ClCC1CNCCO1 CS-0060823 [0,2,0,0,0,0|1,0,0]=3 383 B8R1.2 FCC1CCCNC1 CS-W001354 [0,2,0,0,0,0|1,0,0]=3 384 B8R1.2 ICC1CCCCC1 CS-0155327 [0,2,0,0,0,0|2,0,0]=4 385 B8R1.2 ICC1CCCCO1 CS-0058218 [0,2,0,0,0,0|2,0,0]=4 386 B8R1.2 ICC1CCOCC1 CS-W001910 [0,2,0,0,0,0|2,0,0]=4 387 B8R1.2 N#CC1CCCCC1 CS-W019522 [0,2,0,0,0,0|2,0,0]=4 388 B8R1.2 N#CC1CCCCN1 CS-0187605 [0,2,0,0,0,0|1,0,0]=3 389 B8R1.2 N#CC1CCCNC1 CS-0315616 [0,2,0,0,0,0|1,0,0]=3 390 B8R1.2 N#CC1CCNCC1 CS-0007612 [0,2,0,0,0,0|1,0,0]=3 391 B8R1.2 N#CC1CCNCC1 CS-0019876 [0,2,0,0,0,0|1,0,0]=3 392 B8R1.2 N#CC1CCOCC1 CS-W019661 [0,2,0,0,0,0|2,0,0]=4 393 B8R1.2 N#CC1CNCCN1 CS-W005671 [0,2,0,0,0,0|0,0,0]=2 394 B8R1.2 N#CC1CNCCO1 CS-W005833 [0,2,0,0,0,0|1,0,0]=3 395 B8R1.2 N#CN1CCOCC1 CS-W016616 [0,2,0,0,0,0|1,0,0]=3 396 B8R1.2 N#C[C@@H]1CCCNC1 CS-0053312 [0,2,0,0,0,0|1,0,0]=3 397 B8R1.2 N#C[C@@H]1CCCNC1 CS-0060758 [0,2,0,0,0,0|1,0,0]=3 398 B8R1.2 N#C[C@@H]1CNCCO1 CS-0103653 [0,2,0,0,0,0|1,0,0]=3 399 B8R1.2 N#C[C@H]1CNCCN1 CS-B0448 [0,2,0,0,0,0|0,0,0]=2 400 B8R1.2 NCC1CCCCN1 CS-W011240 [0,2,0,0,0,0|1,0,0]=3 401 B8R1.2 NCC1CCCNC1 CS-0028231 [0,2,0,0,0,0|1,0,0]=3 402 B8R1.2 NCC1CCCOC1 CS-0048770 [0,2,0,0,0,0|2,0,0]=4 403 B8R1.2 NCC1CCNCC1 CS-W011241 [0,2,0,0,0,0|1,0,0]=3 404 B8R1.2 NCC1CCOCC1 CS-0036420 [0,2,0,0,0,0|2,0,0]=4 405 B8R1.2 NCC1CCOCC1 CS-W008973 [0,2,0,0,0,0|2,0,0]=4 406 B8R1.2 NCC1CCSCC1 CS-0045666 [0,2,0,0,0,0|2,0,0]=4 407 B8R1.2 NCC1CNCCO1 CS-0046184 [0,2,0,0,0,0|1,0,0]=3 408 B8R1.2 NCC1COCCO1 CS-0055041 [0,2,0,0,0,0|2,0,0]=4 409 B8R1.2 NC[C@@H]1COCCO1 CS-0037059 [0,2,0,0,0,0|2,0,0]=4 410 B8R1.2 NC[C@H]1COCCO1 CS-0053454 [0,2,0,0,0,0|2,0,0]=4 411 B8R1.2 NNC1CCCCC1 CS-W007595 [0,2,0,0,0,0|2,0,0]=4 412 B8R1.2 NNC1CCNCC1 CS-0109590 [0,2,0,0,0,0|1,0,0]=3 413 B8R1.2 NNC1CCOCC1 CS-0037407 [0,2,0,0,0,0|2,0,0]=4 414 B8R1.2 NNC1CCOCC1 CS-0047579 [0,2,0,0,0,0|2,0,0]=4 415 B8R1.2 NNC1CCOCC1 CS-B0289 [0,2,0,0,0,0|2,0,0]=4 416 B8R1.2 NOC1CCCCO1 CS-W007325 [0,2,0,0,0,0|2,0,0]=4 417 B8R1.2 O=CC1CCNCC1 CS-0171609 [0,2,0,0,0,0|1,0,0]=3 418 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,2,0,0,0,0|2,0,0]=4 419 B8R1.2 O=CC1CCSCC1 CS-0199595 [0,2,0,0,0,0|2,0,0]=4 420 B8R1.2 O=CN1CCCCC1 CS-W016610 [0,2,0,0,0,0|1,0,0]=3 421 B8R1.2 O=CN1CCNCC1 CS-W016606 [0,2,0,0,0,0|0,0,0]=2 422 B8R1.2 O=CN1CCOCC1 CS-W016603 [0,2,0,0,0,0|1,0,0]=3 423 B8R1.2 O=NN1CCOCC1 CS-0128913 [0,2,0,0,0,0|1,0,0]=3 424 B8R1.2 OCC1CCCCC1 CS-W011242 [0,2,0,0,0,0|2,0,0]=4 425 B8R1.2 OCC1CCCCN1 CS-W013620 [0,2,0,0,0,0|1,0,0]=3 426 B8R1.2 OCC1CCCCO1 CS-0034490 [0,2,0,0,0,0|2,0,0]=4 427 B8R1.2 OCC1CCCNC1 CS-W001981 [0,2,0,0,0,0|1,0,0]=3 428 B8R1.2 OCC1CCCOC1 CS-D0478 [0,2,0,0,0,0|2,0,0]=4 429 B8R1.2 OCC1CCNCC1 CS-0185406 [0,2,0,0,0,0|1,0,0]=3 430 B8R1.2 OCC1CCNCC1 CS-W002476 [0,2,0,0,0,0|1,0,0]=3 431 B8R1.2 OCC1CCOCC1 CS-D1227 [0,2,0,0,0,0|2,0,0]=4 432 B8R1.2 OCC1CCSCC1 CS-0053969 [0,2,0,0,0,0|2,0,0]=4 433 B8R1.2 OCC1CNCCN1 CS-0146587 [0,2,0,0,0,0|0,0,0]=2 434 B8R1.2 OCC1CNCCO1 CS-0106282 [0,2,0,0,0,0|1,0,0]=3 435 B8R1.2 OCC1CNCCO1 CS-W022892 [0,2,0,0,0,0|1,0,0]=3 436 B8R1.2 OCC1COCCN1 CS-0053095 [0,2,0,0,0,0|1,0,0]=3 437 B8R1.2 OCC1COCCN1 CS-0104915 [0,2,0,0,0,0|1,0,0]=3 438 B8R1.2 OCC1COCCO1 CS-0130467 [0,2,0,0,0,0|2,0,0]=4 439 B8R1.2 OC[C@@H]1CCCCN1 CS-W001568 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [0,2,0,0,0,0|1,0,0]=3 441 B8R1.2 OC[C@@H]1CCCNC1 CS-W018674 [0,2,0,0,0,0|1,0,0]=3 442 B8R1.2 OC[C@@H]1CNCCN1 CS-0146586 [0,2,0,0,0,0|0,0,0]=2 443 B8R1.2 OC[C@@H]1CNCCO1 CS-W003855 [0,2,0,0,0,0|1,0,0]=3 444 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [0,2,0,0,0,0|1,0,0]=3 445 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [0,2,0,0,0,0|1,0,0]=3 446 B8R1.2 OC[C@@H]1COCCO1 CS-0041581 [0,2,0,0,0,0|2,0,0]=4 447 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,2,0,0,0,0|1,0,0]=3 448 B8R1.2 OC[C@H]1CCCNC1 CS-0133006 [0,2,0,0,0,0|1,0,0]=3 449 B8R1.2 OC[C@H]1CCCNC1 CS-W019674 [0,2,0,0,0,0|1,0,0]=3 450 B8R1.2 OC[C@H]1CNCCN1 CS-0042552 [0,2,0,0,0,0|0,0,0]=2 451 B8R1.2 OC[C@H]1CNCCN1 CS-0106317 [0,2,0,0,0,0|0,0,0]=2 452 B8R1.2 OC[C@H]1CNCCO1 CS-0108806 [0,2,0,0,0,0|1,0,0]=3 453 B8R1.2 OC[C@H]1CNCCO1 CS-W003761 [0,2,0,0,0,0|1,0,0]=3 454 B8R1.2 OC[C@H]1COCCN1 CS-0031401 [0,2,0,0,0,0|1,0,0]=3 455 B8R1.2 OC[C@H]1COCCN1 CS-W006711 [0,2,0,0,0,0|1,0,0]=3 456 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [0,2,0,0,0,0|2,0,0]=4 457 B8R1.2 ON=C1CCOCC1 CS-0045844 [0,2,0,0,0,0|2,0,0]=4 458 B8R1.2 ON=C1CCSCC1 CS-0045803 [0,2,0,0,0,0|2,0,0]=4 459 B8R1.2 ONC1CCCCC1 CS-0155321 [0,2,0,0,0,0|2,0,0]=4 460 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,2,0,0,0,0|2,0,0]=4 461 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,2,0,0,0,0|1,0,1]=4 462 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,2,0,0,0,0|2,0,0]=4 463 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [0,2,0,0,0,0|1,0,1]=4 464 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,2,0,0,0,0|1,0,0]=3 465 B8R1.3 CN1CCC(Br)CC1 CS-0054167 [0,2,0,0,0,0|1,0,0]=3 466 B8R1.3 CN1CCC(Cl)CC1 CS-W013387 [0,2,0,0,0,0|1,0,0]=3 467 B8R1.3 CN1CCC(N)CC1 CS-0151104 [0,2,0,0,0,0|1,0,0]=3 468 B8R1.3 CN1CCC(N)CC1 CS-W016605 [0,2,0,0,0,0|1,0,0]=3 469 B8R1.3 CN1CCC(O)CC1 CS-W019412 [0,2,0,0,0,0|1,0,0]=3 470 B8R1.3 CN1CCN(N)CC1 CS-0071327 [0,2,0,0,0,0|0,0,0]=2 471 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [0,2,0,0,0,0|1,0,1]=4 472 B8R1.3 C[C@@H]1CO[C@H](C)CN1 CS-0158230 [0,2,0,0,0,0|1,0,0]=3 473 B8R1.3 C[C@H]1CC[C@@H](N)CC1 CS-0170852 [0,2,0,0,0,0|2,0,0]=4 474 B8R1.3 C[C@H]1CC[C@@H](O)CC1 CS-0180937 [0,2,0,0,0,0|2,0,0]=4 475 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W003376 [0,2,0,0,0,0|2,0,0]=4 476 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W011254 [0,2,0,0,0,0|2,0,0]=4 477 B8R1.3 C[C@H]1CC[C@H](O)CC1 CS-0180938 [0,2,0,0,0,0|2,0,0]=4 478 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [0,2,0,0,0,0|1,0,1]=4 479 B8R1.3 C[C@H]1CN[C@@H](C)CN1 CS-0048757 [0,2,0,0,0,0|0,0,0]=2 480 B8R1.3 C[C@H]1CN[C@H](C)CN1 CS-B1271 [0,2,0,0,0,0|0,0,0]=2 481 B8R1.3 C[C@H]1CO[C@@H](C)CN1 CS-W021076 [0,2,0,0,0,0|1,0,0]=3 482 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,2,0,0,0,0|2,0,0]=4 483 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [0,2,0,0,0,0|1,0,1]=4 484 B8R1.3 NC1CCC(Br)CC1 CS-0039218 [0,2,0,0,0,0|2,0,0]=4 485 B8R1.3 NC1CCC(N)CC1 CS-0096883 [0,2,0,0,0,0|2,0,0]=4 486 B8R1.3 NC1CCC(O)CC1 CS-0127650 [0,2,0,0,0,0|2,0,0]=4 487 B8R1.3 NC1CCC(O)CC1 CS-W019318 [0,2,0,0,0,0|2,0,0]=4 488 B8R1.3 NN1CCC(O)CC1 CS-0044231 [0,2,0,0,0,0|1,0,0]=3 489 B8R1.3 N[C@H]1CCC(=O)NC1 CS-0185259 [0,2,0,0,0,0|1,0,1]=4 490 B8R1.3 N[C@H]1CC[C@@H](N)CC1 CS-0096882 [0,2,0,0,0,0|2,0,0]=4 491 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-0049680 [0,2,0,0,0,0|2,0,0]=4 492 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-W019682 [0,2,0,0,0,0|2,0,0]=4 493 B8R1.3 N[C@H]1CC[C@H](N)CC1 CS-W007732 [0,2,0,0,0,0|2,0,0]=4 494 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W019841 [0,2,0,0,0,0|2,0,0]=4 495 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W023031 [0,2,0,0,0,0|2,0,0]=4 496 B8R1.3 O=C1CCC(=O)CC1 CS-W011270 [0,2,0,0,0,0|2,0,0]=4 497 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,2,0,0,0,0|2,0,0]=4 498 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,2,0,0,0,0|1,0,1]=4 499 B8R1.3 O=C1CCS(=O)CC1 CS-0188184 [0,2,0,0,0,0|2,0,0]=4 500 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,2,0,0,0,0|1,0,1]=4 501 B8R1.3 O=C1CNC(=O)CN1 CS-0046695 [0,2,0,0,0,0|0,0,2]=4 502 B8R1.3 OC1CCC(O)CC1 CS-W007850 [0,2,0,0,0,0|2,0,0]=4 503 B8R1.3 OC1COC(O)CO1 CS-W004661 [0,2,0,0,0,0|2,0,0]=4 504 B8R1.3 OC1CSC(O)CS1 CS-W018087 [0,2,0,0,0,0|2,0,0]=4 505 B8R1.3 O[C@H]1CC[C@@H](O)CC1 CS-0049754 [0,2,0,0,0,0|2,0,0]=4 506 B8R1.3 [C@H]1(O)CC[C@H](O)CC1 CS-W005575 [0,2,0,0,0,0|2,0,0]=4 507 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,2,0,0,0,0|1,0,0]=3 508 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,2,0,0,0,0|2,0,0]=4 509 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,2,0,0,0,0|1,0,1]=4 510 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.4 CC1CN(C)CCN1 CS-0173710 [0,2,0,0,0,0|0,0,0]=2 512 B8R1.4 CC1CNCC(C)N1 CS-W013629 [0,2,0,0,0,0|0,0,0]=2 513 B8R1.4 CC1COCC(=O)N1 CS-0146686 [0,2,0,0,0,0|1,0,1]=4 514 B8R1.4 CC1COCC(C)N1 CS-0075433 [0,2,0,0,0,0|1,0,0]=3 515 B8R1.4 CN1CCCC(N)C1 CS-W003989 [0,2,0,0,0,0|1,0,0]=3 516 B8R1.4 CN1CCC[C@@H](N)C1 CS-0030803 [0,2,0,0,0,0|1,0,0]=3 517 B8R1.4 CN1CCC[C@@H](N)C1 CS-0053341 [0,2,0,0,0,0|1,0,0]=3 518 B8R1.4 CN1CCC[C@H](N)C1 CS-0053774 [0,2,0,0,0,0|1,0,0]=3 519 B8R1.4 CN1CCC[C@H](N)C1 CS-W021153 [0,2,0,0,0,0|1,0,0]=3 520 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [0,2,0,0,0,0|0,0,1]=3 521 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [0,2,0,0,0,0|1,0,1]=4 522 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,2,0,0,0,0|1,0,0]=3 523 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,2,0,0,0,0|1,0,1]=4 524 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0006865 [0,2,0,0,0,0|0,0,0]=2 525 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0067514 [0,2,0,0,0,0|0,0,0]=2 526 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [0,2,0,0,0,0|0,0,0]=2 527 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-0088046 [0,2,0,0,0,0|1,0,0]=3 528 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-W005832 [0,2,0,0,0,0|1,0,0]=3 529 B8R1.4 C[C@@H]1CNC[C@H](C)C1 CS-0139658 [0,2,0,0,0,0|1,0,0]=3 530 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [0,2,0,0,0,0|1,0,1]=4 531 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0084653 [0,2,0,0,0,0|1,0,0]=3 532 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0112796 [0,2,0,0,0,0|1,0,0]=3 533 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,2,0,0,0,0|1,0,0]=3 534 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0015754 [0,2,0,0,0,0|1,0,0]=3 535 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0995219 [0,2,0,0,0,0|1,0,0]=3 536 B8R1.4 C[C@H]1CN(C)CCN1 CS-0054951 [0,2,0,0,0,0|0,0,0]=2 537 B8R1.4 C[C@H]1CN(C)CCN1 CS-0183803 [0,2,0,0,0,0|0,0,0]=2 538 B8R1.4 C[C@H]1CNC[C@@H](C)N1 CS-W013630 [0,2,0,0,0,0|0,0,0]=2 539 B8R1.4 C[C@H]1CNC[C@@H](C)O1 CS-0008437 [0,2,0,0,0,0|1,0,0]=3 540 B8R1.4 C[C@H]1CNC[C@H](C)O1 CS-0102294 [0,2,0,0,0,0|1,0,0]=3 541 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,2,0,0,0,0|1,0,1]=4 542 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0049722 [0,2,0,0,0,0|1,0,0]=3 543 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0057260 [0,2,0,0,0,0|1,0,0]=3 544 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0102260 [0,2,0,0,0,0|1,0,0]=3 545 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0147828 [0,2,0,0,0,0|1,0,0]=3 546 B8R1.4 NC1CCCC(N)C1 CS-0129557 [0,2,0,0,0,0|2,0,0]=4 547 B8R1.4 NC1CCCC(O)C1 CS-W005423 [0,2,0,0,0,0|2,0,0]=4 548 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [0,2,0,0,0,0|1,0,1]=4 549 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0047790 [0,2,0,0,0,0|2,0,0]=4 550 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0134685 [0,2,0,0,0,0|2,0,0]=4 551 B8R1.4 N[C@@H]1CCC[C@H](O)C1 CS-0112892 [0,2,0,0,0,0|2,0,0]=4 552 B8R1.4 N[C@H]1CCC[C@@H](N)C1 CS-0047588 [0,2,0,0,0,0|2,0,0]=4 553 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [0,2,0,0,0,0|1,0,1]=4 554 B8R1.4 O=C1CNCC(=O)N1 CS-W003770 [0,2,0,0,0,0|0,0,2]=4 555 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [0,2,0,0,0,0|1,0,1]=4 556 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,2,0,0,0,0|1,0,1]=4 557 B8R1.5 CC1CCCCC1N CS-W013646 [0,2,0,0,0,0|2,0,0]=4 558 B8R1.5 CC1CCCNC1=O CS-0186670 [0,2,0,0,0,0|1,0,1]=4 559 B8R1.5 CC1CNCCC1=O CS-D0046 [0,2,0,0,0,0|1,0,0]=3 560 B8R1.5 CC1CNCCC1=O CS-D0300 [0,2,0,0,0,0|1,0,0]=3 561 B8R1.5 CC1CNCCC1O CS-0051241 [0,2,0,0,0,0|1,0,0]=3 562 B8R1.5 CC1CNCCN1C CS-W005051 [0,2,0,0,0,0|0,0,0]=2 563 B8R1.5 CC1COCCC1=O CS-W003860 [0,2,0,0,0,0|2,0,0]=4 564 B8R1.5 CC1NCCNC1=O CS-0046850 [0,2,0,0,0,0|0,0,1]=3 565 B8R1.5 CN1CCNCC1=O CS-0052424 [0,2,0,0,0,0|0,0,1]=3 566 B8R1.5 CN1CCNCC1=O CS-D0697 [0,2,0,0,0,0|0,0,1]=3 567 B8R1.5 CN1CCOCC1=O CS-0145226 [0,2,0,0,0,0|1,0,1]=4 568 B8R1.5 C[C@@H]1CCCC[C@@H]1N CS-0158236 [0,2,0,0,0,0|2,0,0]=4 569 B8R1.5 C[C@@H]1CNCCN1C CS-0006864 [0,2,0,0,0,0|0,0,0]=2 570 B8R1.5 C[C@@H]1CNCCN1C CS-0053508 [0,2,0,0,0,0|0,0,0]=2 571 B8R1.5 C[C@@H]1CNCC[C@H]1O CS-0051211 [0,2,0,0,0,0|1,0,0]=3 572 B8R1.5 C[C@@H]1NCCNC1=O CS-0130514 [0,2,0,0,0,0|0,0,1]=3 573 B8R1.5 C[C@H]1CCCC[C@H]1N CS-0162390 [0,2,0,0,0,0|2,0,0]=4 574 B8R1.5 C[C@H]1CNCCN1C CS-0006863 [0,2,0,0,0,0|0,0,0]=2 575 B8R1.5 C[C@H]1CNCCN1C CS-0053455 [0,2,0,0,0,0|0,0,0]=2 576 B8R1.5 C[C@H]1NCCNC1=O CS-0042202 [0,2,0,0,0,0|0,0,1]=3 577 B8R1.5 Cl[C@@H]1CCCC[C@H]1Cl CS-0455908 [0,2,0,0,0,0|2,0,0]=4 578 B8R1.5 NC1CCCCC1=O CS-0099232 [0,2,0,0,0,0|2,0,0]=4 579 B8R1.5 NC1CCCCC1N CS-0514846 [0,2,0,0,0,0|2,0,0]=4 580 B8R1.5 NC1CCCCC1O CS-0128497 [0,2,0,0,0,0|2,0,0]=4 581 B8R1.5 NC1CCCCC1O CS-0330487 [0,2,0,0,0,0|2,0,0]=4 582 B8R1.5 NC1CCCNC1=O CS-D0182 [0,2,0,0,0,0|1,0,1]=4 583 B8R1.5 N[C@@H]1CCCC[C@@H]1O CS-W008418 [0,2,0,0,0,0|2,0,0]=4 584 B8R1.5 N[C@@H]1CCCC[C@H]1F CS-0038959 [0,2,0,0,0,0|2,0,0]=4 585 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-0019667 [0,2,0,0,0,0|2,0,0]=4 586 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0062471 [0,2,0,0,0,0|2,0,0]=4 587 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0096323 [0,2,0,0,0,0|2,0,0]=4 588 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W003455 [0,2,0,0,0,0|2,0,0]=4 589 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W005443 [0,2,0,0,0,0|2,0,0]=4 590 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [0,2,0,0,0,0|1,0,1]=4 591 B8R1.5 N[C@@H]1CCOC[C@@H]1F CS-0049705 [0,2,0,0,0,0|2,0,0]=4 592 B8R1.5 N[C@@H]1CCOC[C@@H]1O CS-0049677 [0,2,0,0,0,0|2,0,0]=4 593 B8R1.5 N[C@@H]1CCOC[C@H]1O CS-0053238 [0,2,0,0,0,0|2,0,0]=4 594 B8R1.5 N[C@@H]1COCC[C@H]1O CS-0053305 [0,2,0,0,0,0|2,0,0]=4 595 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [0,2,0,0,0,0|2,0,0]=4 596 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [0,2,0,0,0,0|2,0,0]=4 597 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [0,2,0,0,0,0|2,0,0]=4 598 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0134767 [0,2,0,0,0,0|2,0,0]=4 599 B8R1.5 N[C@H]1CCCC[C@H]1O CS-W008152 [0,2,0,0,0,0|2,0,0]=4 600 B8R1.5 N[C@H]1CCCNC1=O CS-0112427 [0,2,0,0,0,0|1,0,1]=4 601 B8R1.5 N[C@H]1CCOC[C@@H]1F CS-0047782 [0,2,0,0,0,0|2,0,0]=4 602 B8R1.5 N[C@H]1CCOC[C@@H]1O CS-0029596 [0,2,0,0,0,0|2,0,0]=4 603 B8R1.5 O=C1CCCCC1Cl CS-W013402 [0,2,0,0,0,0|2,0,0]=4 604 B8R1.5 O=C1CCCCC1O CS-0262973 [0,2,0,0,0,0|2,0,0]=4 605 B8R1.5 O=C1CCNCC1F CS-0044438 [0,2,0,0,0,0|1,0,0]=3 606 B8R1.5 O=C1CCOCC1Br CS-0039271 [0,2,0,0,0,0|2,0,0]=4 607 B8R1.5 O=C1CCOCC1F CS-0051355 [0,2,0,0,0,0|2,0,0]=4 608 B8R1.5 O=C1NCCCC1O CS-W008630 [0,2,0,0,0,0|1,0,1]=4 609 B8R1.5 OC1CCCCC1Cl CS-W016535 [0,2,0,0,0,0|2,0,0]=4 610 B8R1.5 OC1CCCCC1O CS-0155355 [0,2,0,0,0,0|2,0,0]=4 611 B8R1.5 O[C@@H]1CCCC[C@H]1O CS-W011230 [0,2,0,0,0,0|2,0,0]=4 612 B8R1.5 O[C@@H]1CNCC[C@H]1F CS-0053301 [0,2,0,0,0,0|1,0,0]=3 613 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [0,2,0,0,0,0|2,0,0]=4 614 B8R1.5 O[C@H]1CCNC[C@H]1F CS-0058642 [0,2,0,0,0,0|1,0,0]=3 615 B8R1.5 O[C@H]1CNCC[C@H]1O CS-0049724 [0,2,0,0,0,0|1,0,0]=3 616 B8R1.72 CC1(C)CCNCC1 CS-W005691 [0,2,0,0,0,0|1,0,0]=3 617 B8R1.72 CC1(C)CNCCN1 CS-D0739 [0,2,0,0,0,0|0,0,0]=2 618 B8R1.72 CC1(C)CNCCO1 CS-W003622 [0,2,0,0,0,0|1,0,0]=3 619 B8R1.72 CC1(C)COCCN1 CS-0094495 [0,2,0,0,0,0|1,0,0]=3 620 B8R1.72 CC1(F)CCNCC1 CS-0187010 [0,2,0,0,0,0|1,0,0]=3 621 B8R1.72 CC1(N)CCOCC1 CS-0039635 [0,2,0,0,0,0|2,0,0]=4 622 B8R1.72 CC1(N)CCOCC1 CS-W018780 [0,2,0,0,0,0|2,0,0]=4 623 B8R1.72 CC1(O)CCCCC1 CS-W013634 [0,2,0,0,0,0|2,0,0]=4 624 B8R1.72 CC1(O)CCCNC1 CS-0051242 [0,2,0,0,0,0|1,0,0]=3 625 B8R1.72 CC1(O)CCCNC1 CS-0183561 [0,2,0,0,0,0|1,0,0]=3 626 B8R1.72 CC1(O)CCNCC1 CS-B1024 [0,2,0,0,0,0|1,0,0]=3 627 B8R1.72 CC1(O)CCNCC1 CS-M0531 [0,2,0,0,0,0|1,0,0]=3 628 B8R1.72 CC1(O)CCNCC1 CS-W004838 [0,2,0,0,0,0|1,0,0]=3 629 B8R1.72 CC1(O)CCOCC1 CS-W006621 [0,2,0,0,0,0|2,0,0]=4 630 B8R1.72 C[C@@]1(O)CCCNC1 CS-0184477 [0,2,0,0,0,0|1,0,0]=3 631 B8R1.72 C[N+]1(C)CCCCC1 CS-W018164 [0,2,0,0,0,0|1,0,1]=4 632 B8R1.72 C[N+]1([O-])CCOCC1 CS-0226155 [0,2,0,0,0,0|1,0,1]=4 633 B8R1.72 C[N+]1([O-])CCOCC1 CS-0369372 [0,2,0,0,0,0|1,0,1]=4 634 B8R1.72 C[Si]1(C)CCNCC1 CS-0043662 [0,2,0,0,0,0|1,0,0]=3 635 B8R1.72 FC1(F)CCCNC1 CS-W001579 [0,2,0,0,0,0|1,0,0]=3 636 B8R1.72 FC1(F)CCNCC1 CS-0028285 [0,2,0,0,0,0|1,0,0]=3 637 B8R1.72 FC1(F)CCNCC1 CS-W001440 [0,2,0,0,0,0|1,0,0]=3 638 B8R1.72 N=S1(=O)CCCCC1 CS-0134127 [0,2,0,0,0,0|2,0,0]=4 639 B8R1.72 N=S1(=O)CCNCC1 CS-0163183 [0,2,0,0,0,0|1,0,0]=3 640 B8R1.72 N=S1(=O)CCOCC1 CS-0134129 [0,2,0,0,0,0|2,0,0]=4 641 B8R1.72 O=S1(=O)CCCCN1 CS-W005956 [0,2,0,0,0,0|2,0,0]=4 642 B8R1.72 O=S1(=O)CCNCC1 CS-W005419 [0,2,0,0,0,0|1,0,0]=3 643 B8R1.72 O=S1(=O)CCNCC1 CS-W009111 [0,2,0,0,0,0|1,0,0]=3 644 B8R1.72 O=S1(=O)CCOCC1 CS-0128435 [0,2,0,0,0,0|2,0,0]=4 645 B8R1.72 O=S1(=O)COCCN1 CS-0057466 [0,2,0,0,0,0|2,0,0]=4 646 B6R1.3 CCNC1CC1 CS-0046972 [0,0,1,1,0,0|1,0,0]=3 647 B6R1.3 CNCC1CC1 CS-0045377 [0,0,1,1,0,0|1,0,0]=3 648 B6R1.3 COC[C@H]1CO1 CS-0165613 [0,0,1,1,0,0|2,0,0]=4 649 B6R1.3 ICCC1CC1 CS-0012702 [0,0,1,1,0,0|2,0,0]=4 650 B6R1.3 NCCC1CC1 CS-W006511 [0,0,1,1,0,0|1,0,0]=3 651 B6R1.3 NOCC1CC1 CS-W019324 [0,0,1,1,0,0|2,0,0]=4 652 B6R1.3 OCCC1CC1 CS-W016679 [0,0,1,1,0,0|2,0,0]=4 653 B6R1.3 OCCN1CC1 CS-W023058 [0,0,1,1,0,0|1,0,0]=3 654 B6R1.4 C[C@@H]1NC[C@@H]1O CS-0172767 [0,0,1,1,0,0|1,0,0]=3 655 B6R1.4 NC1CCC1F CS-0505919 [0,0,1,1,0,0|2,0,0]=4 656 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,0,1,1,0,0|2,0,0]=4 657 B6R1.6 BrCC1CCC1 CS-0015296 [0,0,1,1,0,0|2,0,0]=4 658 B6R1.6 CNC1CCC1 CS-0054580 [0,0,1,1,0,0|1,0,0]=3 659 B6R1.6 CNC1CNC1 CS-0043910 [0,0,1,1,0,0|0,0,0]=2 660 B6R1.6 CNC1COC1 CS-0040193 [0,0,1,1,0,0|1,0,0]=3 661 B6R1.6 COC1CNC1 CS-W008894 [0,0,1,1,0,0|1,0,0]=3 662 B6R1.6 CSC1CNC1 CS-0051673 [0,0,1,1,0,0|1,0,0]=3 663 B6R1.6 FCC1CNC1 CS-0085106 [0,0,1,1,0,0|2,0,0]=4 664 B6R1.6 ICC1CCC1 CS-0053096 [0,0,1,1,0,0|2,0,0]=4 665 B6R1.6 ICC1CCO1 CS-0052227 [0,0,1,1,0,0|2,0,0]=4 666 B6R1.6 N#CC1CNC1 CS-W018612 [0,0,1,1,0,0|2,0,0]=4 667 B6R1.6 NCC1CCC1 CS-W004986 [0,0,1,1,0,0|1,0,0]=3 668 B6R1.6 NCC1CCO1 CS-0048767 [0,0,1,1,0,0|1,0,0]=3 669 B6R1.6 NCC1CNC1 CS-W022574 [0,0,1,1,0,0|2,0,0]=4 670 B6R1.6 NCC1COC1 CS-W008698 [0,0,1,1,0,0|2,0,0]=4 671 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,0,1,1,0,0|1,0,0]=3 672 B6R1.6 NNC1CCC1 CS-0054590 [0,0,1,1,0,0|2,0,0]=4 673 B6R1.6 NNC1CCC1 CS-D1710 [0,0,1,1,0,0|2,0,0]=4 674 B6R1.6 NNC1COC1 CS-0187598 [0,0,1,1,0,0|2,0,0]=4 675 B6R1.6 OCC1CCC1 CS-W001922 [0,0,1,1,0,0|2,0,0]=4 676 B6R1.6 OCC1CCN1 CS-0049913 [0,0,1,1,0,0|1,0,0]=3 677 B6R1.6 OCC1CCO1 CS-W019194 [0,0,1,1,0,0|2,0,0]=4 678 B6R1.6 OCC1CNC1 CS-D1756 [0,0,1,1,0,0|2,0,0]=4 679 B8R2.25 C1CC2OC2CO1 CS-0051589 [0,0,0,1,0,1|2,0,0]=4 680 B8R2.25 C1COC2CC2N1 CS-0112792 [0,0,0,1,0,1|1,0,0]=3 681 B8R2.11 NC1C2COCC12 CS-W007149 [0,1,0,1,0,0|2,0,0]=4 682 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 CS-0035789 [0,1,0,1,0,0|2,0,0]=4 683 B8R2.18 O=C1CC2CC2C1 CS-0036289 [0,1,0,1,0,0|2,0,0]=4 684 B8R2.18 OC1CC2CC2C1 CS-0035529 [0,1,0,1,0,0|2,0,0]=4 685 B8R2.23 C1NCC2CC1O2 CS-0054897 [0,1,0,1,0,0|1,0,0]=3 686 B8R2.23 C1OCC2CC1N2 CS-0051232 [0,1,0,1,0,0|1,0,0]=3 687 B8R2.34 C1CC2CC1CN2 CS-0067833 [0,1,0,1,0,0|1,0,0]=3 688 B8R2.34 C1CC2CCC1N2 CS-W018698 [0,1,0,1,0,0|2,0,0]=4 689 B8R2.34 C1CN2CCC1C2 CS-0698648 [0,1,0,1,0,0|1,0,0]=3 690 B8R2.34 C1OC2CNC1C2 CS-0044047 [0,1,0,1,0,0|1,0,0]=3 691 B8R2.34 C1O[C@@H]2CN[C@H]1C2 CS-W019161 [0,1,0,1,0,0|1,0,0]=3 692 B8R2.34 C1O[C@H]2CN[C@@H]1C2 CS-0044652 [0,1,0,1,0,0|1,0,0]=3 693 B8R2.34 [C@H]12CN[C@H](CN1)C2 CS-W010152 [0,1,0,1,0,0|0,0,0]=2 694 B4R1.1 C1CNC1 CS-W011344 [0,0,0,0,2,0|0,0,0]=2 695 B8R1.49 C1=CCCC=CCC1 CS-0015978 [0,0,0,0,0,2|2,0,0]=4 696 B8R1.49 C1=CCCC=CCC1 CS-0035163 [0,0,0,0,0,2|2,0,0]=4 697 B8R1.49 C1=CCCC=CCC1 CS-0035186 [0,0,0,0,0,2|2,0,0]=4 698 B8R1.49 C1=CCCC=CCC1 CS-0067245 [0,0,0,0,0,2|2,0,0]=4 699 B8R1.49 C1=CCCC=CCC1 CS-0080872 [0,0,0,0,0,2|2,0,0]=4 700 B8R1.49 C1=CCCC=CCC1 CS-0081894 [0,0,0,0,0,2|2,0,0]=4 701 B8R1.49 C1=CCCC=CCC1 CS-0082577 [0,0,0,0,0,2|2,0,0]=4 702 B8R1.49 C1=CCCC=CCC1 CS-0082686 [0,0,0,0,0,2|2,0,0]=4 703 B8R1.49 C1=CCCC=CCC1 CS-0084597 [0,0,0,0,0,2|2,0,0]=4 704 B8R1.49 C1=CCCC=CCC1 CS-0085783 [0,0,0,0,0,2|2,0,0]=4 705 B8R1.49 C1=CCCC=CCC1 CS-0086015 [0,0,0,0,0,2|2,0,0]=4 706 B8R1.49 C1=CCCC=CCC1 CS-W008473 [0,0,0,0,0,2|2,0,0]=4 707 B8R1.49 C1=CCCC=CCC1 CS-W009199 [0,0,0,0,0,2|2,0,0]=4 708 B8R1.49 C1=CCCC=CCC1 CS-W011531 [0,0,0,0,0,2|2,0,0]=4 709 B8R1.49 C1=CCCC=CCC1 CS-W011586 [0,0,0,0,0,2|2,0,0]=4 710 B8R1.49 C1=CCCC=CCC1 CS-W020862 [0,0,0,0,0,2|2,0,0]=4 711 B8R1.49 C1=CCCCCCC1 CS-0035172 [0,0,0,0,0,2|2,0,0]=4 712 B8R1.49 C1CCCNCCC1 CS-0204387 [0,0,0,0,0,2|1,0,0]=3