0 B6R0.2 CC(N)CN(C)C CS-B1299 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 CC(F)CCN CS-0106774 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.1 CC(O)CCN CS-0113030 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 CC(O)CCN CS-0113103 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 CC(O)CNN CS-0035530 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 CC(O)CNN CS-0036622 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 CCCC(=N)N CS-W013544 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 C[C@@H](O)CCN CS-0113026 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 C[C@@H](O)CCN CS-0113150 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 C[C@H](O)CCN CS-0113024 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C[C@H](O)CCN CS-0113046 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 O=C(O)CCF CS-0038385 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.2 CCN(C)C[C@@H](C)O CS-0095832 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.2 CC[C@@H](O)CN(C)C CS-0096089 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.2 CN[C@H](C)CC(=O)O CS-0021843 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.9 CP(C)(=O)CC(=O)O CS-0104669 [0,1,0,0,0,0|1,1,0]=3 16 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.2 CC1CCC(=O)N1 CS-0046659 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.2 CN1CC[C@H](N)C1 CS-0053279 [0,0,0,1,0,0|1,0,1]=3 19 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.2 C[C@@H]1CNC(=O)C1 CS-0053172 [0,0,0,1,0,0|1,0,0]=2 21 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,0,0,1,0,0|1,0,0]=2 22 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.2 NC1CNC(=O)C1 CS-0051034 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.2 N[C@@H]1CNC(=O)C1 CS-0053173 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.2 N[C@H]1CNC(=O)C1 CS-0046660 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.2 O=C1CC(=O)NN1 CS-0111719 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.2 O=C1CC(=O)ON1 CS-0068238 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.2 [C@@H]1(O)CCN(C)C1 CS-W013705 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O CS-0055686 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.12 NC1CC1C(=O)O CS-0067815 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.16 CC1(C)CC(=O)N1 CS-0046669 [0,0,0,1,0,0|1,0,0]=2 38 B7R1.16 CC1(C)CC(N)C1 CS-0102276 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.20 NC(=O)CC1CC1 CS-0055986 [0,0,0,1,0,0|1,0,0]=2 40 B7R1.20 NC(=O)NC1CC1 CS-0073680 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.20 O=C(O)CC1CC1 CS-W011326 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.20 O=C(O)CC1CO1 CS-0057155 [0,0,0,1,0,0|3,0,0]=4 43 B5R0.5 CC(N)C(N)=O CS-0036447 [0,0,0,0,1,0|2,0,0]=3 44 B5R0.5 CC(O)C(=N)N CS-0037354 [0,0,0,0,1,0|3,0,0]=4 45 B5R0.5 CN(C)C(=N)N CS-0036167 [0,0,0,0,1,0|1,0,0]=2 46 B5R0.5 CN(C)C(=N)N CS-0092661 [0,0,0,0,1,0|1,0,0]=2 47 B7R0.6 C[C@@H](N)CCC(=O)O CS-0093985 [0,0,0,0,0,1|3,0,0]=4 48 B4R0.1 C=C(Br)CN CS-0106981 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 CN(N)C=O CS-0084846 [2,0,0,0,0,0|1,0,0]=3 50 B4R0.1 N=C(N)CCl CS-M2910 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.1 N=C(N)CN CS-0112951 [2,0,0,0,0,0|1,0,0]=3 52 B4R0.1 NC(=S)CO CS-0091320 [2,0,0,0,0,0|1,1,0]=4 53 B4R0.2 CCCON CS-0106185 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.2 CNCCF CS-0103514 [2,0,0,0,0,0|1,0,1]=4 55 B4R0.2 CNCCN CS-0108722 [2,0,0,0,0,0|0,0,1]=3 56 B6R0.3 CN(C)C(=O)CN CS-B0440 [1,1,0,0,0,0|0,0,2]=4 57 B6R0.3 CNC(=O)C(=O)O CS-0113142 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.3 NC(=O)C(N)CO CS-0091330 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.3 NC(=O)[C@@H](N)CO CS-0091329 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.3 NC(=O)[C@H](N)CO CS-0091331 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.4 CC(=O)CCCBr CS-0103669 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.4 CN(C)CCCCl CS-W004690 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.4 CNCCC(=O)O CS-0112815 [1,1,0,0,0,0|1,0,0]=3 64 B6R0.5 CC(C)(O)CON CS-0091973 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.5 CC(C)(O)CON CS-0091974 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.7 CC(=O)C(C)(C)N CS-0036060 [0,1,0,0,1,0|2,0,0]=4 67 B6R0.7 CC(C)(S)C(=O)O CS-0113145 [0,1,0,0,1,0|2,0,0]=4 68 B8R0.23 CC(C)CC(N)C(N)=O CS-0091401 [0,1,0,0,0,1|1,0,0]=3 69 B8R0.23 CC(C)N(C)CC(=O)O CS-0037772 [0,1,0,0,0,1|2,0,0]=4 70 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [0,1,0,0,0,1|2,0,0]=4 71 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0038142 [0,1,0,0,0,1|2,0,0]=4 72 B8R0.23 CN(C)C[C@H](N)C(=O)O CS-0091615 [0,1,0,0,0,1|1,0,0]=3 73 B8R0.29 CS(C)(=O)=NCC(=O)O CS-0046393 [0,1,0,0,0,1|2,0,0]=4 74 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CS-0011143 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CS-0108582 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CS-W009266 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.24 C[N+](C)(C)CC(=O)NN CS-0109596 [0,2,0,0,0,0|0,0,1]=3 78 B8R0.27 CC(C)(F)[C@H](N)C(=O)O CS-0112293 [0,2,0,0,0,0|2,0,0]=4 79 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O CS-0036468 [0,2,0,0,0,0|2,0,0]=4 80 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CS-W006998 [0,2,0,0,0,0|2,0,0]=4 81 B8R0.18 CC(C)[C@H](CN)C(=O)O CS-0061014 [0,2,0,0,0,0|2,0,0]=4 82 B8R0.37 CC(C)[C@](C)(N)C(=O)O CS-W013423 [0,2,0,0,0,0|2,0,0]=4 83 B8R0.37 CN(C)C(C)(C)C(=O)O CS-0091398 [0,2,0,0,0,0|1,0,0]=3 84 B6R1.2 O=C1CCON1 CS-W019350 [1,0,0,1,0,0|2,0,0]=4 85 B6R1.2 O=C1NCCO1 CS-W007548 [1,0,0,1,0,0|2,0,0]=4 86 B6R1.3 NNCC1CC1 CS-0053098 [1,0,0,1,0,0|2,0,0]=4 87 B6R1.5 CC1CC(=O)N1 CS-0046688 [1,0,0,1,0,0|1,0,0]=3 88 B6R1.5 CN1CC(N)C1 CS-0045520 [1,0,0,1,0,0|0,0,1]=3 89 B6R1.5 C[C@H]1C[C@@H](N)C1 CS-0049698 [1,0,0,1,0,0|1,0,1]=4 90 B6R1.5 O=C1CC(Br)C1 CS-0040508 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.5 O=C1CC(F)N1 CS-0046567 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.10 CC1(N)CNC1 CS-0051248 [1,0,0,1,0,0|1,0,1]=4 93 B6R1.11 N=C(N)C1CC1 CS-0036166 [1,0,0,1,0,0|2,0,0]=4 94 B6R1.11 O=C(O)[C@@H]1CN1 CS-0111707 [1,0,0,1,0,0|1,0,0]=3 95 B6R1.4 CC1CNC1=O CS-0046512 [0,0,0,1,1,0|1,0,0]=3 96 B6R1.4 N[C@H]1CNC1=O CS-0053270 [0,0,0,1,1,0|2,0,0]=4 97 B6R1.4 O=C1NCC1O CS-0112791 [0,0,0,1,1,0|2,0,0]=4 98 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,0,0,1,0,1|1,0,0]=3 99 B8R1.3 CN1C=CC(=O)CC1 CS-0067384 [0,0,0,1,0,1|1,0,1]=4 100 B8R1.3 C[C@@H]1CNC(=O)CN1 CS-0058677 [0,0,0,1,0,1|1,0,0]=3 101 B8R1.3 C[C@H]1CNC(=O)CN1 CS-0053133 [0,0,0,1,0,1|1,0,0]=3 102 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [0,0,0,1,0,1|2,0,0]=4 103 B8R1.3 N[C@@H]1CCC(=O)NC1 CS-0054409 [0,0,0,1,0,1|2,0,0]=4 104 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 CS-0045557 [0,0,0,1,0,1|2,0,0]=4 105 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 CS-0045556 [0,0,0,1,0,1|2,0,0]=4 106 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [0,0,0,1,0,1|2,0,0]=4 107 B8R1.1 CCC1CNC(=O)C1 CS-0046666 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.1 CCN1CCC(N)C1 CS-0052564 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.1 CCN1CC[C@@H](N)C1 CS-0053343 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.1 CCN1CC[C@H](N)C1 CS-0053283 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.1 CN1CCC(CN)C1 CS-0053642 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.1 CN1CC[C@@H](CN)C1 CS-0053042 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.1 CN1CC[C@@H](CN)C1 CS-0053043 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.1 CN1CC[C@H](CN)C1 CS-0053048 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.1 NCC1CNC(=O)O1 CS-0050769 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.1 NC[C@@H]1CNC(=O)C1 CS-0053189 [0,1,0,1,0,0|1,0,0]=3 118 B8R1.1 NC[C@@H]1CNC(=O)C1 CS-0053190 [0,1,0,1,0,0|1,0,0]=3 119 B8R1.1 NC[C@@H]1CNC(=O)O1 CS-0053138 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.1 NC[C@H]1CNC(=O)C1 CS-0053176 [0,1,0,1,0,0|1,0,0]=3 121 B8R1.1 NC[C@H]1CNC(=O)C1 CS-0053177 [0,1,0,1,0,0|1,0,0]=3 122 B8R1.1 NC[C@H]1CNC(=O)O1 CS-0053136 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [0,1,0,1,0,0|1,0,0]=3 124 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.1 O=C1NCC(CO)O1 CS-0113076 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.1 O=CC1CNC(=O)C1 CS-0046595 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.4 CC1CC(=O)CCN1 CS-0080309 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.4 CN1CCC[C@@H](N)C1 CS-0053341 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.4 C[C@@H]1CNCC(=O)N1 CS-0054006 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053434 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.4 C[C@H]1CNCC(=O)N1 CS-0053122 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.4 NC1CCNC(=O)C1 CS-0062156 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.4 O=C1CCNC(=O)C1 CS-W008824 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.18 CC1CC(=O)NC1=O CS-0061418 [0,1,0,1,0,0|1,0,1]=4 140 B8R1.18 CC1NC(=O)CC1=O CS-0046423 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.18 CN1CC(=O)NC1=S CS-0068327 [0,1,0,1,0,0|0,0,1]=3 142 B8R1.18 CN1CC(=O)OC1=O CS-0109855 [0,1,0,1,0,0|1,0,1]=4 143 B8R1.18 CN1CC(N)CC1=O CS-0051054 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.18 CN1C[C@H](N)[C@H](O)C1 CS-0053297 [0,1,0,1,0,0|0,0,2]=4 145 B8R1.31 CC1NCC1C(=O)O CS-0091784 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.31 CN1CC[C@@H]1C(=O)O CS-0052024 [0,1,0,1,0,0|1,0,0]=3 147 B8R1.31 CN1CC[C@H]1C(=O)O CS-0052023 [0,1,0,1,0,0|1,0,0]=3 148 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O CS-0053427 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.34 CN(C)C[C@H]1CCN1 CS-0090866 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.40 COC(=O)CC1CC1 CS-0112851 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.40 NCC(=O)NC1CC1 CS-0077363 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.40 NCC(=O)NC1CC1 CS-0110031 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.43 O=C(O)C1CC1CO CS-0098963 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.62 CC1(CO)CC(=O)C1 CS-0051685 [0,1,0,1,0,0|2,0,0]=4 155 B8R2.53 O=C1CC2(CC2)C1 CS-0048698 [0,0,0,2,0,0|2,0,0]=4 156 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [0,0,0,0,0,2|2,0,0]=4 157 B8R0.28 CN(C)C\C=C\C(=O)O CS-0091680 [0,0,0,0,0,2|1,0,0]=3 158 B8R0.28 CN(C)C\C=C\C(N)=O CS-0067381 [0,0,0,0,0,2|0,0,0]=2