0 B5R0.5 CC(N)C(N)=O CS-0036447 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 CC(O)C(=N)N CS-0037354 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 CN(C)C(=N)N CS-0036167 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.5 CN(C)C(=N)N CS-0092661 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.5 O=C(O)C(=O)O CS-0089651 [0,0,0,0,0,0|1,0,1]=2 5 B4R0.1 C=C(Br)CN CS-0106981 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 CN(N)C=O CS-0084846 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 N=C(N)CCl CS-M2910 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 N=C(N)CN CS-0112951 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 NC(=S)CO CS-0091320 [1,0,0,0,0,0|1,1,0]=3 10 B4R0.1 [C@H](C)(N)CO CS-W011362 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.3 C=C(C#N)C(=O)O CS-0110097 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [0,1,0,0,0,0|1,0,1]=3 13 B6R0.3 CC(O)C(N)CO CS-0091337 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.3 CN(C)C(=O)CN CS-B0440 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.3 CN(C)C(=O)CO CS-0077250 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.3 CNC(=O)C(=O)O CS-0113142 [0,1,0,0,0,0|0,0,2]=3 17 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.3 C[C@@H](O)[C@@H](N)CO CS-0091338 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.3 C[C@H](O)[C@H](N)CO CS-0091343 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.3 NC(=O)C(N)CO CS-0091330 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.3 NC(=O)[C@@H](N)CO CS-0091329 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.3 NC(=O)[C@H](N)CO CS-0091331 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,1,0,0,0,0|0,0,0]=1 26 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.7 CC(=O)C(C)(C)N CS-0036060 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.7 CC(C)(S)C(=O)O CS-0113145 [0,1,0,0,0,0|0,1,0]=2 29 B6R0.7 O=C([O-])C(F)(F)F CS-0035164 [0,1,0,0,0,0|2,0,1]=4 30 B6R1.4 CC1CNC1=O CS-0046512 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.4 CC1OCC1O CS-0051834 [0,0,0,1,0,0|1,0,1]=3 32 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.4 N[C@H]1CC[C@H]1O CS-0049745 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.4 N[C@H]1CNC1=O CS-0053270 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.4 O=C1NCC1O CS-0112791 [0,0,0,1,0,0|1,0,0]=2 36 B6R1.9 CC1(C)CC1O CS-0081490 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.9 CC1CC1(C)O CS-0098175 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.11 N=C(N)C1CC1 CS-0036166 [0,0,0,1,0,0|3,0,0]=4 39 B6R1.11 O=C(O)[C@@H]1CN1 CS-0111707 [0,0,0,1,0,0|1,0,0]=2 40 B3R0.1 NCCO CS-0088236 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 CC(=O)NCO CS-0061075 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.1 CC(=O)\C=N\O CS-0039829 [1,1,0,0,0,0|0,0,2]=4 43 B5R0.1 CC(O)CCN CS-0113030 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.1 CC(O)CCN CS-0113103 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.1 CC(O)CNN CS-0035530 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.1 CC(O)CNN CS-0036622 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.1 CCCC(=N)N CS-W013544 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.1 C[C@@H](O)CCN CS-0113026 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.1 C[C@@H](O)CCN CS-0113150 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.1 C[C@H](O)CCN CS-0113024 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.1 C[C@H](O)CCN CS-0113046 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.1 O=C(O)CCF CS-0038385 [1,1,0,0,0,0|0,0,0]=2 53 B5R0.3 C=CC(N)CO CS-0091316 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.3 C=C[C@@H](N)CO CS-0089925 [1,1,0,0,0,0|2,0,0]=4 55 B5R0.3 C=C[C@@H](N)CO CS-0091315 [1,1,0,0,0,0|2,0,0]=4 56 B5R0.3 C=C[C@H](N)CO CS-0089895 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.3 CCC(=O)CO CS-W005327 [1,1,0,0,0,0|0,0,0]=2 58 B5R0.3 CC[C@@H](O)CN CS-0096325 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.3 CC[C@H](O)CN CS-0046763 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.3 CO[C@@H](C)CO CS-0096324 [1,1,0,0,0,0|0,0,1]=3 61 B5R0.3 C[C@@H](CO)CBr CS-0101486 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.3 N=C(CO)NO CS-0091317 [1,1,0,0,0,0|1,0,0]=3 63 B5R0.3 NC(CO)CF CS-0091321 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.3 NC(CO)CS CS-0089528 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.3 NCC(N)CO CS-0091318 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.3 NC[C@@H](N)CO CS-0091319 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.3 NC[C@H](F)CO CS-0053431 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.3 N[C@H](CO)CS CS-0089529 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.2 CN[C@H](C)CC(=O)O CS-0021843 [0,1,0,0,0,1|1,0,0]=3 70 B7R0.9 CP(C)(=O)CC(=O)O CS-0104669 [0,1,0,0,0,1|1,0,1]=4 71 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [0,1,0,0,0,1|1,0,0]=3 72 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [0,2,0,0,0,0|1,0,0]=3 73 B7R0.5 CC(=O)N(C)CCO CS-0112257 [0,2,0,0,0,0|2,0,0]=4 74 B7R0.5 CCOC(=O)N(C)C CS-0112757 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.5 CCOC(=O)[C@H](C)O CS-0096322 [0,2,0,0,0,0|0,0,0]=2 76 B7R0.5 NCCC(F)C(=O)O CS-0095010 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.10 C=CC(O)C(=O)OC CS-0099770 [0,2,0,0,0,0|0,0,1]=3 78 B7R0.10 CC[C@@H](N)C(=O)OC CS-0100678 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.10 COC(=O)[C@H](N)CS CS-D0363 [0,2,0,0,0,0|1,0,0]=3 80 B7R0.13 C#CC(C)(C)C(N)=O CS-0094736 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.13 CC(C)(CN)C(=O)O CS-0107300 [0,2,0,0,0,0|1,0,0]=3 82 B7R0.14 CC(C)(C)C(=N)NO CS-0047590 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.14 CC(C)(C)C(=O)CN CS-0052643 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.14 CC(C)(C)\C(N)=N\O CS-0035939 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.14 COC(=O)C(C)(C)F CS-0017916 [0,2,0,0,0,0|1,0,0]=3 86 B5R1.2 OC1CSC1 CS-0045447 [1,0,0,1,0,0|0,1,1]=4 87 B5R1.2 SC1COC1 CS-0048763 [1,0,0,1,0,0|0,1,1]=4 88 B5R1.3 OCC1CO1 CS-0016001 [1,0,0,1,0,0|0,0,1]=3 89 B7R1.2 CC1=CC(=O)CO1 CS-0092875 [0,0,0,1,0,1|1,0,1]=4 90 B7R1.2 CC1CCC(=O)N1 CS-0046659 [0,0,0,1,0,1|2,0,0]=4 91 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,0,0,1,0,1|2,0,0]=4 92 B7R1.2 C[C@@H]1CNC(=O)C1 CS-0053172 [0,0,0,1,0,1|2,0,0]=4 93 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,0,0,1,0,1|2,0,0]=4 94 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,0,0,1,0,1|1,0,0]=3 95 B7R1.2 NC1CCC(=O)N1 CS-0046591 [0,0,0,1,0,1|2,0,0]=4 96 B7R1.2 NC1CNC(=O)C1 CS-0051034 [0,0,0,1,0,1|2,0,0]=4 97 B7R1.2 N[C@@H]1CNC(=O)C1 CS-0053173 [0,0,0,1,0,1|2,0,0]=4 98 B7R1.2 N[C@H]1CNC(=O)C1 CS-0046660 [0,0,0,1,0,1|2,0,0]=4 99 B7R1.2 O=C1C=C(Br)CO1 CS-0037435 [0,0,0,1,0,1|1,0,1]=4 100 B7R1.2 O=C1C=C[C@H](O)C1 CS-0113091 [0,0,0,1,0,1|1,0,1]=4 101 B7R1.2 O[C@@H]1CC[C@@H](O)C1 CS-0056775 [0,0,0,1,0,1|1,0,1]=4 102 B7R1.2 O[C@H]1CC[C@@H](O)C1 CS-0049663 [0,0,0,1,0,1|1,0,1]=4 103 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O CS-0055686 [0,0,0,1,0,1|1,0,0]=3 104 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [0,0,0,1,0,1|1,0,0]=3 105 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [0,0,0,1,0,1|1,0,0]=3 106 B7R1.12 NC1CC1C(=O)O CS-0067815 [0,0,0,1,0,1|1,0,0]=3 107 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [0,0,0,1,0,1|1,0,0]=3 108 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [0,0,0,1,0,1|1,0,0]=3 109 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [0,0,0,1,0,1|1,0,0]=3 110 B7R1.16 CC1(C)CC(=O)N1 CS-0046669 [0,0,0,1,0,1|2,0,0]=4 111 B7R1.16 O=S1(=O)CC(O)C1 CS-0051343 [0,0,0,1,0,1|1,0,1]=4 112 B7R1.20 NC(=O)CC1CC1 CS-0055986 [0,0,0,1,0,1|2,0,0]=4 113 B7R1.20 NC(=O)NC1CC1 CS-0073680 [0,0,0,1,0,1|2,0,0]=4 114 B7R1.20 O=C(O)CC1CC1 CS-W011326 [0,0,0,1,0,1|1,0,0]=3 115 B7R1.20 O=C(O)CC1CO1 CS-0057155 [0,0,0,1,0,1|0,0,0]=2 116 B7R1.4 CC1CONC1=O CS-0068235 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.4 C[C@@H]1CCNC1=O CS-0046449 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.4 C[C@H]1CCNC1=O CS-0046446 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.4 NC1CCOC1=O CS-0051531 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.4 NC1COCC1O CS-0112323 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.4 N[C@@H]1CCNC1=O CS-0109572 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.4 N[C@@H]1COC[C@@H]1O CS-0049679 [0,1,0,1,0,0|1,0,1]=4 123 B7R1.4 N[C@@H]1COC[C@H]1O CS-0037840 [0,1,0,1,0,0|1,0,1]=4 124 B7R1.4 N[C@@H]1COC[C@H]1O CS-0046712 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.4 N[C@H]1COC[C@@H]1O CS-0047593 [0,1,0,1,0,0|1,0,1]=4 126 B7R1.4 N[C@H]1COC[C@H]1O CS-0053228 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.4 O=C1OCC=C1Br CS-0101295 [0,1,0,1,0,0|1,0,1]=4 129 B7R1.4 O[C@H]1CNC[C@@H]1O CS-0047805 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.4 O[C@H]1CNC[C@@H]1O CS-0058679 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.4 O[C@H]1COC[C@H]1O CS-0049648 [0,1,0,1,0,0|0,0,2]=4 132 B7R1.8 O=C1CCC1CO CS-0045469 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.8 O=C1NCC1CO CS-0046606 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.17 CC1(C)CCC1=O CS-0045495 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.17 CC1(C)CNC1=O CS-0046668 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.18 CC(=O)C1CNC1 CS-0102262 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.18 CC(O)C1COC1 CS-0056972 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.18 O=C(O)C1CSC1 CS-0045516 [0,1,0,1,0,0|0,1,0]=3 139 B7R1.19 C[C@@]1(C(=O)O)CO1 CS-0088426 [0,1,0,1,0,0|0,0,0]=2 140 B7R1.19 C[C@]1(C(=O)O)CO1 CS-0088424 [0,1,0,1,0,0|0,0,0]=2 141 B7R1.19 NC(=O)C1(N)CC1 CS-0052639 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.19 NC(=O)C1(O)CC1 CS-0081496 [0,1,0,1,0,0|1,0,0]=3 143 B7R1.22 CNC(=O)C1CC1 CS-0106601 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.22 O=CC(=O)C1CC1 CS-0089046 [0,1,0,1,0,0|1,0,1]=4 145 B7R0.6 C[C@@H](N)CCC(=O)O CS-0093985 [0,0,0,0,0,2|1,0,0]=3 146 B7R0.6 O=C(O)COC(F)F CS-0102315 [0,0,0,0,0,2|2,0,0]=4 147 B7R0.6 O=C(O)\C=C\C(F)F CS-0089044 [0,0,0,0,0,2|2,0,0]=4