0 B6R1.2 NC1CC=CC1 CS-W022621 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 NC1CCNC1 CS-W016190 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 O=C1C=CCC1 CS-W011359 [0,0,0,0,0,0|1,0,1]=2 3 B6R1.2 O=C1C=CCO1 CS-W008270 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 O=C1C=CNN1 CS-W004179 [0,0,0,0,0,0|2,0,2]=4 5 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,0,0,0|0,1,0]=1 6 B6R1.2 O=C1NCCS1 CS-W023026 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 OC1CCNC1 CS-W022946 [0,0,0,0,0,0|1,0,2]=3 8 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,0,0,0,0,0|1,0,2]=3 9 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,0,0,0,0,0|1,0,2]=3 10 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,0,0,0,0,0|0,1,2]=3 11 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,0,0,0,0,0|1,0,2]=3 12 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,0,0,0,0,0|2,0,1]=3 13 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,0,0,0,0,0|2,0,1]=3 14 B5R1.1 C1CSCN1 CS-M1684 [1,0,0,0,0,0|1,0,0]=2 15 B7R1.1 BrCC1CCCC1 CS-W004985 [0,1,0,0,0,0|2,0,1]=4 16 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,1,0,0,0,0|1,0,2]=4 17 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,1,0,0,0,0|1,0,2]=4 18 B7R1.1 O=CC1=CSC=N1 CS-W007683 [0,1,0,0,0,0|1,0,2]=4 19 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,1,0,0,0,0|1,0,2]=4 20 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,1,0,0,0,0|3,0,0]=4 21 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,1,0,0,0,0|2,0,1]=4 26 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,1,0,0,0,0|1,0,2]=4 27 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.4 O=C1CCC=C1O CS-W019237 [0,1,0,0,0,0|1,0,1]=3 29 B7R1.4 O=C1NCCC1O CS-W005201 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,1,0,0,0,0|1,0,2]=4 32 B7R1.14 CC1(O)CCNC1 CS-W021967 [0,1,0,0,0,0|1,0,2]=4 33 B7R1.14 O=S1(=O)CCCO1 CS-W011195 [0,1,0,0,0,0|3,0,0]=4 34 B5R0.1 CC#CC(=O)O CS-W007936 [0,0,1,0,0,0|2,0,1]=4 35 B5R0.1 CC(=O)CC#N CS-W020196 [0,0,1,0,0,0|1,0,1]=3 36 B5R0.1 CC(=O)CCCl CS-W022162 [0,0,1,0,0,0|1,0,0]=2 37 B5R0.1 CNCC(=O)O CS-W013507 [0,0,1,0,0,0|2,0,0]=3 38 B5R0.1 COCC(=O)O CS-W020123 [0,0,1,0,0,0|1,1,0]=3 39 B5R0.1 COC[C@H](C)O CS-0031378 [0,0,1,0,0,0|0,1,2]=4 40 B5R0.1 C[C@@H](N)CCO CS-W013746 [0,0,1,0,0,0|1,1,1]=4 41 B5R0.1 N=C(O)CCN CS-W007497 [0,0,1,0,0,0|2,0,1]=4 42 B5R0.2 C=CCCCBr CS-W018483 [0,0,1,0,0,0|3,0,0]=4 43 B5R0.2 CNCCNC CS-0020009 [0,0,1,0,0,0|3,0,0]=4 44 B5R0.2 COCCCBr CS-W010945 [0,0,1,0,0,0|1,1,1]=4 45 B5R0.2 COCCCO CS-W020636 [0,0,1,0,0,0|0,1,2]=4 46 B5R0.3 CCC(=N)NO CS-D0340 [0,0,1,0,0,0|2,1,0]=4 47 B5R0.3 CCC(Br)CC CS-0015742 [0,0,1,0,0,0|2,0,1]=4 48 B5R0.3 CC[C@H](O)CO CS-0031373 [0,0,1,0,0,0|0,1,2]=4 49 B5R0.3 NNC(=O)CO CS-W006527 [0,0,1,0,0,0|2,1,0]=4 50 B7R2.11 C1CN2CN1C2 CS-0096563 [0,0,0,1,0,0|3,0,0]=4 51 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,1,0,0|2,0,1]=4 52 B7R2.13 C1OCC2OC12 CS-W016680 [0,0,0,1,0,0|0,1,2]=4 53 B5R1.2 BrC1COC1 CS-D1251 [0,0,0,0,1,0|1,1,1]=4 54 B5R1.2 FC1CNC1 CS-W001606 [0,0,0,0,1,0|2,0,1]=4 55 B5R1.2 IC1COC1 CS-W017022 [0,0,0,0,1,0|1,1,1]=4 56 B5R1.2 NC1CCC1 CS-0006655 [0,0,0,0,1,0|1,0,1]=3 57 B5R1.2 NC1COC1 CS-D0204 [0,0,0,0,1,0|1,1,1]=4 58 B5R1.2 NC1COC1 CS-W018946 [0,0,0,0,1,0|1,1,1]=4 59 B5R1.2 O=C1CNC1 CS-W019264 [0,0,0,0,1,0|1,0,0]=2 60 B5R1.2 O=C1COC1 CS-M1912 [0,0,0,0,1,0|0,1,0]=2 61 B5R1.2 O=C1CSC1 CS-B0978 [0,0,0,0,1,0|0,0,0]=1 62 B5R1.2 OC1CCC1 CS-W013758 [0,0,0,0,1,0|0,0,2]=3 63 B5R1.2 OC1COC1 CS-W007362 [0,0,0,0,1,0|0,1,2]=4 64 B7R1.3 BrC1CCNCC1 CS-W014130 [0,0,0,0,0,1|2,0,1]=4 65 B7R1.3 CC1CNCCO1 CS-D1584 [0,0,0,0,0,1|2,0,1]=4 66 B7R1.3 CC1COCCN1 CS-W009058 [0,0,0,0,0,1|1,1,1]=4 67 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,0,0,0,0,1|1,1,1]=4 68 B7R1.3 ClC1CCOCC1 CS-W016579 [0,0,0,0,0,1|1,1,1]=4 69 B7R1.3 NC1CCCOC1 CS-0044162 [0,0,0,0,0,1|1,1,1]=4 70 B7R1.3 NC1CCOCC1 CS-B0654 [0,0,0,0,0,1|1,1,1]=4 71 B7R1.3 NC1CCOCC1 CS-W002372 [0,0,0,0,0,1|1,1,1]=4 72 B7R1.3 NN1CCCCC1 CS-W007639 [0,0,0,0,0,1|3,0,0]=4 73 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [0,0,0,0,0,1|2,0,1]=4 74 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,0,0,0,0,1|1,1,1]=4 75 B7R1.3 O=C1CCNCC1 CS-W018762 [0,0,0,0,0,1|1,0,0]=2 76 B7R1.3 O=C1CCNCC1 CS-W020094 [0,0,0,0,0,1|1,0,0]=2 77 B7R1.3 O=C1COCCN1 CS-D1427 [0,0,0,0,0,1|0,1,0]=2 78 B7R1.3 O=C1COCCO1 CS-0031423 [0,0,0,0,0,1|0,1,0]=2 79 B7R1.3 O=C1CSCCN1 CS-W019146 [0,0,0,0,0,1|0,0,0]=1 80 B7R1.3 OC1=NCCC=C1 CS-W006454 [0,0,0,0,0,1|1,0,2]=4 81 B7R1.3 OC1CCCNC1 CS-W013706 [0,0,0,0,0,1|1,0,2]=4 82 B7R1.3 OC1CCNCC1 CS-W004328 [0,0,0,0,0,1|1,0,2]=4 83 B7R1.3 OC1CCSCC1 CS-D1275 [0,0,0,0,0,1|0,0,2]=3 84 B7R1.3 OC1CNCCO1 CS-W006148 [0,0,0,0,0,1|1,0,2]=4 85 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,0,0,0,0,1|1,0,2]=4 86 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,0,0,0,0,1|2,0,1]=4 87 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,0,0,0,0,1|2,0,1]=4 88 B4R0.1 CC(=O)CN CS-W004850 [1,0,1,0,0,0|1,0,0]=3 89 B4R0.1 CC(=O)CO CS-0017823 [1,0,1,0,0,0|0,1,0]=3 90 B4R0.1 CCC(=N)N CS-W019290 [1,0,1,0,0,0|2,0,0]=4 91 B4R0.1 CCS(=O)[O-] CS-0020098 [1,0,1,0,0,0|1,1,0]=4 92 B4R0.2 CNCCBr CS-0042068 [1,0,1,0,0,0|2,0,0]=4 93 B4R0.2 CSCCN CS-0063136 [1,0,1,0,0,0|1,0,0]=3 94 B6R0.1 CC#CC(=O)OC CS-0066219 [0,1,1,0,0,0|1,0,1]=4 95 B6R0.1 CCOC(=O)CO CS-W019892 [0,1,1,0,0,0|2,0,0]=4 96 B6R0.1 CNC(=O)CC#N CS-W018827 [0,1,1,0,0,0|1,0,1]=4 97 B6R0.1 COC(=O)CCBr CS-W008728 [0,1,1,0,0,0|1,0,0]=3 98 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,1,1,0,0,0|2,0,0]=4 99 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [0,1,1,0,0,0|1,0,1]=4 100 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [0,1,1,0,0,0|1,0,1]=4 101 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085625 [0,1,1,0,0,0|1,0,1]=4 102 B6R0.2 CC(O)CC(=O)[O-] CS-W011168 [0,1,1,0,0,0|1,1,0]=4 103 B6R0.2 [C@H](C)(O)CC(=O)[O-] CS-W016567 [0,1,1,0,0,0|1,1,0]=4 104 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,1,1,0,0,0|2,0,0]=4 105 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,1,1,0,0,0|2,0,0]=4 106 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [0,1,1,0,0,0|2,0,0]=4 107 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [0,1,1,0,0,0|2,0,0]=4 108 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [0,1,1,0,0,0|2,0,0]=4 109 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [0,1,1,0,0,0|1,0,0]=3 110 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [0,1,1,0,0,0|1,0,0]=3 111 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [0,1,1,0,0,0|1,0,0]=3 112 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [0,1,1,0,0,0|2,0,0]=4 113 B6R0.4 C#CCCC(=O)O CS-W008784 [0,1,1,0,0,0|2,0,0]=4 114 B6R0.4 C=CCCC(=O)O CS-W009138 [0,1,1,0,0,0|2,0,0]=4 115 B6R0.4 CC(=O)NCCN CS-W013694 [0,1,1,0,0,0|1,0,0]=3 116 B6R0.4 CC(=O)NCCO CS-W013689 [0,1,1,0,0,0|0,1,0]=3 117 B6R0.4 CCOCC(=O)O CS-0071579 [0,1,1,0,0,0|1,1,0]=4 118 B6R0.4 CO\C=C\C(C)=O CS-W013712 [0,1,1,0,0,0|0,1,1]=4 119 B6R0.4 N#CCCC(=O)O CS-W018565 [0,1,1,0,0,0|2,0,0]=4 120 B6R0.4 O=C(O)CCCBr CS-W016047 [0,1,1,0,0,0|2,0,0]=4 121 B6R0.5 CS(=O)(=O)CCBr CS-0084612 [0,1,1,0,0,0|2,0,0]=4 122 B6R0.6 C=CCCCCO CS-W013711 [0,1,1,0,0,0|2,0,0]=4 123 B6R1.5 CN1CC(O)C1 CS-0041554 [0,1,0,0,1,0|2,0,0]=4 124 B6R1.5 NC1CC(=O)C1 CS-W005321 [0,1,0,0,1,0|0,0,0]=2 125 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,1,0,0,0,1|0,1,1]=4 126 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,1,0,0,0,1|1,0,0]=3 127 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,1,0,0,0,1|1,0,0]=3 128 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,1,0,0,0,1|1,0,0]=3 129 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [0,1,0,0,0,1|0,1,1]=4 130 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,1,0,0,0,1|1,0,1]=4 131 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,0,0,1|1,0,0]=3 132 B8R1.5 CC1NCCNC1=O CS-0046850 [0,1,0,0,0,1|1,0,0]=3 133 B8R1.5 O=C1NCCCC1O CS-W008630 [0,1,0,0,0,1|1,0,0]=3 134 B8R1.72 O=S1(=O)CCCCO1 CS-W018691 [0,1,0,0,0,1|2,0,0]=4 135 B8R1.72 O=S1(=O)CCNCC1 CS-W005419 [0,1,0,0,0,1|2,0,0]=4 136 B8R1.72 O=S1(=O)CCNCC1 CS-W009111 [0,1,0,0,0,1|2,0,0]=4 137 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,2,0,0,0,0|2,0,0]=4 138 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,2,0,0,0,0|2,0,0]=4 139 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [0,2,0,0,0,0|2,0,0]=4 140 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,2,0,0,0,0|2,0,0]=4 141 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [0,2,0,0,0,0|1,0,1]=4 142 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [0,2,0,0,0,0|1,0,1]=4 143 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [0,2,0,0,0,0|1,0,1]=4 144 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [0,2,0,0,0,0|1,0,1]=4 145 B8R1.11 N#CC1CCCC1=O CS-W005103 [0,2,0,0,0,0|1,0,0]=3 146 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,2,0,0,0,0|1,0,0]=3 147 B8R1.50 O=C1CCC(=O)N1I CS-W008878 [0,2,0,0,0,0|2,0,0]=4 148 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [0,2,0,0,0,0|2,0,0]=4 149 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 CS-B0948 [0,2,0,0,0,0|2,0,0]=4 150 B6R1.1 C1=CCNCC1 CS-W021272 [0,0,1,1,0,0|2,0,0]=4 151 B4R1.1 C1CNC1 CS-W011344 [1,0,0,0,1,0|1,0,0]=3