0 B7R0.2 COC(=O)CC(C)=O CS-0017265 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.2 C[C@@H](CO)CN(C)C CS-0897817 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 CCC(O)CC#N CS-0258400 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.1 CCC(O)CNC CS-0225521 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 COC[C@H](C)CO CS-0145677 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 NC(CO)CCO CS-0091333 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 OCC[C@@H](Br)CO CS-1141050 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.2 CC(C)OC(=S)[S-] CS-0109042 [1,0,0,0,0,0|1,2,0]=4 10 B6R0.2 O=C(O)CC(F)F CS-0054587 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CNCCC(C)O CS-0459922 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CSCCC(C)O CS-0242060 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 O=C(O)CCCF CS-0491783 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 O=C(O)\C=C\CCl CS-0368704 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CS-0029653 [0,1,0,0,0,0|0,0,0]=1 16 B8R0.5 CCOC(C)SC(C)=O CS-0160359 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.5 COCC(C)NC(N)=O CS-0221703 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CS-0035659 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.34 CC(C)(CN)CC(=O)O CS-0016326 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.34 CC(C)(CN)CC(=O)O CS-M3329 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.34 CCC(F)(F)CC(=O)O CS-0633857 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [0,0,0,1,0,0|0,0,2]=3 23 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.1 N#CC1CNC(=O)C1 CS-0050413 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.1 N#C[C@H]1CCC(=O)C1 CS-0476471 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.1 O=C1CC[C@@H](CO)O1 CS-W002306 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.4 CC1CC(O)CCO1 CS-0051835 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.4 CC1CCNC(=O)C1 CS-0052341 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.4 C[C@@H]1CCC[C@H](N)C1 CS-0309584 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.4 C[C@@H]1C[C@H](O)CCO1 CS-0472514 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.4 N[C@H]1CCC[C@@H](O)C1 CS-0042346 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.18 CC1OC(=O)OC1C CS-0511127 [0,0,0,1,0,0|1,0,0]=2 35 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O CS-0160090 [0,0,0,1,0,0|1,0,0]=2 36 B8R1.34 O=C(O)CN1CCC1 CS-0254192 [0,0,0,1,0,0|1,0,0]=2 37 B8R1.42 NC1(CC(=O)O)CC1 CS-0308592 [0,0,0,1,0,0|1,0,0]=2 38 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 CS-0184475 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.53 C[C@]1(O)C[C@H](CN)C1 CS-0184476 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.67 C[C@H]1[C@@H](C)[C@@H]1C(=O)O CS-0614190 [0,0,0,1,0,0|0,0,0]=1 41 B6R0.3 CCC(Br)C(=O)O CS-W016049 [0,0,0,0,1,0|1,0,0]=2 42 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [0,0,0,0,1,0|2,0,0]=3 43 B8R0.9 NC[C@@H](N)CCC(=O)O CS-0539323 [0,0,0,0,0,1|2,0,0]=3 44 B8R0.9 O=C(O)CNC(=O)CBr CS-0147668 [0,0,0,0,0,1|2,0,1]=4 45 B5R0.1 CCC[C@@H](C)O CS-0198768 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 CN(C)CC=O CS-0114075 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.2 C=CCCCO CS-W011355 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 CCC(F)CN CS-0104693 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.3 CCC(I)CC CS-0236902 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.3 CC[C@@H](C)CO CS-0616929 [2,0,0,0,0,0|0,0,0]=2 51 B5R0.3 N[C@@H](CO)CF CS-0567197 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.3 N[C@H](CO)CF CS-0312195 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.3 OCC(Cl)CCl CS-0128320 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.3 OC[C@H](O)CF CS-0022569 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.7 CCC[C@@H](N)CCO CS-0162168 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0031488 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.4 CC(=O)CCCCO CS-0514254 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.4 CCCCCC(N)=O CS-0128758 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.4 O=[N+]([O-])CCCCO CS-0198124 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.6 CC(=O)NCC(C)O CS-0223956 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.6 CC(C)CC[N+](=O)[O-] CS-0252338 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [1,1,0,0,0,0|0,0,0]=2 63 B7R0.13 NCC(F)(F)C(=O)O CS-0089610 [0,1,0,0,1,0|2,0,0]=4 64 B7R0.15 CCC(CC)C(=O)O CS-W004154 [0,1,0,0,1,0|0,0,0]=2 65 B7R0.15 CC[C@@H](CN)C(=O)O CS-0781938 [0,1,0,0,1,0|0,0,0]=2 66 B7R0.15 C\C=C(\CC)C(=O)O CS-0825044 [0,1,0,0,1,0|0,0,1]=3 67 B7R0.15 O=C(O)C(CS)CS CS-M3522 [0,1,0,0,1,0|1,0,0]=3 68 B9R0.43 CCN(CC)CCC(N)=O CS-0370436 [0,1,0,0,0,1|2,0,0]=4 69 B9R0.48 CCCC(=O)NCC(=O)O CS-0059624 [0,1,0,0,0,1|1,0,1]=4 70 B9R0.48 CCC[C@@H](C)CCC(=O)O CS-0979123 [0,1,0,0,0,1|0,0,0]=2 71 B9R0.48 COCC(C)OCC(C)O CS-0899795 [0,1,0,0,0,1|1,0,1]=4 72 B9R0.64 CCS(=O)(=O)NCC(=O)O CS-0461838 [0,1,0,0,0,1|2,0,0]=4 73 B9R0.64 COC(C)(C)CCC(=O)O CS-0867646 [0,1,0,0,0,1|1,0,0]=3 74 B9R0.27 CCC(C)C(N)C(=O)OC CS-0959395 [0,2,0,0,0,0|0,0,0]=2 75 B9R0.27 CCC(C)C(O)C(=O)OC CS-0235967 [0,2,0,0,0,0|0,0,0]=2 76 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO CS-0108378 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO CS-0059582 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.27 [C@@H](O)(C(=O)CO)[C@H](O)CO CS-W010972 [0,2,0,0,0,0|2,0,0]=4 79 B9R0.28 CCC(O)C(F)(F)C(=O)O CS-0310812 [0,2,0,0,0,0|1,0,0]=3 80 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O CS-0199586 [0,2,0,0,0,0|1,0,0]=3 81 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CS-W016348 [0,2,0,0,0,0|0,0,0]=2 82 B9R0.4 NCCC[C@H](N)CC(=O)O CS-0539406 [0,2,0,0,0,0|1,0,0]=3 83 B9R0.34 CCOC(=O)CC(=O)CO CS-0093884 [0,2,0,0,0,0|1,0,1]=4 84 B9R0.34 CCOC(=O)CC(O)CCl CS-0187412 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.22 COC(=O)CC(C)(C)C#N CS-0343654 [0,2,0,0,0,0|1,0,1]=4 86 B9R0.11 CC(N)(CC(=O)O)C(=O)O CS-0201902 [0,2,0,0,0,0|1,0,1]=4 87 B7R1.1 CC[C@@H]1CCNC1 CS-0053328 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.1 OC[C@@H]1CCOC1 CS-0053251 [1,0,0,1,0,0|1,0,1]=4 89 B7R1.2 C[C@@H]1CC(=O)CN1 CS-0656263 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.2 C[C@@H]1C[C@@H](O)CN1 CS-0038437 [1,0,0,1,0,0|1,0,1]=4 91 B7R1.2 C[C@H]1C[C@H](O)CN1 CS-0053220 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [1,0,0,1,0,0|1,0,1]=4 93 B7R1.10 CCC1CC(=O)C1 CS-0056231 [1,0,0,1,0,0|0,0,0]=2 94 B7R1.21 NC1(CCO)CC1 CS-0183342 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.25 C[C@@]1(CO)CCO1 CS-0502961 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.25 C[C@]1(CO)CCO1 CS-0530295 [1,0,0,1,0,0|1,0,1]=4 97 B7R1.12 C[C@H]1C[C@H]1B(O)O CS-0254193 [1,0,0,1,0,0|1,0,1]=4 98 B7R1.12 C[C@H]1C[C@H]1C(=O)O CS-0368383 [1,0,0,1,0,0|0,0,0]=2 99 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [1,0,0,1,0,0|0,0,0]=2 100 B7R1.16 CC1(N)CC(=O)C1 CS-0172858 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.18 CC(=O)N1CCC1 CS-0240228 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.18 NC(=S)C1CCC1 CS-0308165 [1,0,0,1,0,0|1,1,0]=4 103 B9R1.1 O=C1CCC(CBr)CC1 CS-0139175 [0,0,0,1,0,1|2,0,0]=4 104 B9R1.1 O=C1CCC(CO)CN1 CS-W022263 [0,0,0,1,0,1|2,0,0]=4 105 B9R1.1 O=C1COC(CBr)CN1 CS-0851899 [0,0,0,1,0,1|2,0,0]=4 106 B9R1.35 CC1CCC(C(=O)O)C1 CS-0217541 [0,0,0,1,0,1|0,0,0]=2 107 B9R1.35 CN1CCC(C(=O)O)C1 CS-0058763 [0,0,0,1,0,1|1,0,0]=3 108 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 CS-0035602 [0,0,0,1,0,1|0,0,0]=2 109 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 CS-0340668 [0,0,0,1,0,1|1,0,0]=3 110 B9R1.84 O=C(O)CCN1CCC1 CS-W020473 [0,0,0,1,0,1|1,0,0]=3 111 B9R1.125 C=CC1(C)CCC(=O)O1 CS-0697278 [0,0,0,1,0,1|0,0,2]=4 112 B9R1.37 CC1CC(=O)C(=O)C1C CS-W011157 [0,1,0,1,0,0|0,0,1]=3 113 B9R1.41 CN1CSC[C@H]1C(=O)O CS-0714189 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.110 CC(C(=O)O)C1CCC1 CS-0254257 [0,1,0,1,0,0|0,0,0]=2 115 B9R1.110 N[C@H](C(=O)O)C1COC1 CS-0368615 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.110 O=C(O)C(F)C1CCC1 CS-0633846 [0,1,0,1,0,0|0,0,0]=2 117 B9R1.111 CC1(C(O)C(=O)O)CC1 CS-0611194 [0,1,0,1,0,0|0,0,0]=2 118 B9R1.7 CCOC1CCC(=O)N1 CS-0527529 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.13 NC(=O)C[C@H]1CCCN1 CS-0757957 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.38 CC1(C)NC(=O)CC1O CS-0182880 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.48 O=C1CC(O)CCCN1 CS-0568375 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.53 O=C(O)CN1CC(F)C1 CS-0624091 [0,1,0,1,0,0|1,0,0]=3 123 B9R1.2 CCC1CC(=O)CCN1 CS-0443395 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.128 COC1(CC(=O)O)CC1 CS-0376849 [0,1,0,1,0,0|0,0,0]=2 125 B9R1.23 CN1CC(CI)CC1=O CS-0309949 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.23 CN1C[C@@H](CN)CC1=O CS-0501438 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.79 NCC(=O)NC1CCC1 CS-0285762 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.88 C#C[C@H]1C[C@H]1C(=O)OC CS-0568398 [0,1,0,1,0,0|0,0,2]=4 129 B9R1.88 COC(=O)[C@@H]1O[C@@H]1CBr CS-0638423 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O CS-0047742 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.170 O=C(O)CC1CC1(F)F CS-0055996 [0,1,0,1,0,0|1,0,0]=3 132 B9R2.110 OC12CCC(CC1)C2 CS-0128859 [0,0,0,2,0,0|1,0,1]=4 133 B9R2.139 O=C1NCC2(CC2)O1 CS-0310316 [0,0,0,2,0,0|2,0,0]=4 134 B9R2.138 O=C1CC2(CCC2)N1 CS-0264681 [0,0,0,2,0,0|1,0,0]=3 135 B9R2.138 O=C1CC2(COC2)C1 CS-0051820 [0,0,0,2,0,0|2,0,0]=4 136 B5R0.5 CC(C)C(N)=S CS-W011304 [1,0,0,0,1,0|1,1,0]=4 137 B5R0.5 CC(O)C(=O)O CS-0021601 [1,0,0,0,1,0|1,0,0]=3 138 B5R0.5 C[C@@H](F)C(=O)O CS-0435455 [1,0,0,0,1,0|1,0,0]=3 139 B5R0.5 C[C@H](F)C(=O)O CS-0436042 [1,0,0,0,1,0|1,0,0]=3