0 B5R0.3 C=C(C#N)CO CS-0079973 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CC(CN)CCl CS-0038279 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 CCC(C)NN CS-0035425 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.3 CCC(F)CN CS-0104693 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 CO[C@H](C)CO CS-W011349 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 OCC(O)CO CS-B1784 [0,0,0,0,0,0|0,0,0]=0 6 B5R0.3 OC[C@@H](O)CF CS-0022575 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.3 OC[C@H](O)CF CS-0022569 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [0,0,0,0,0,0|1,0,0]=1 9 B4R0.1 C[C@@H](N)CF CS-0104382 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 C[C@H](N)CF CS-0090252 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 OCC(F)F CS-0020170 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 C=CCCN CS-0028781 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 ClCCCI CS-W018493 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.8 CC(C)(C#N)CO CS-W018923 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.8 CNC(C)(C)CO CS-W018699 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.8 NCC(F)(F)CN CS-0038484 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.8 OCC(F)(F)CO CS-0094694 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.2 FC1CCNC1 CS-W005668 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,0,0,1,0,0|2,0,0]=3 22 B6R1.2 OC1CCOC1 CS-M0786 [0,0,0,1,0,0|1,0,0]=2 23 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,0,0,1,0,0|1,0,0]=2 24 B6R1.4 CC1OCC1=O CS-0051833 [0,0,0,1,0,0|1,0,2]=4 25 B6R1.6 N#CC1COC1 CS-0043332 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.6 NCC1CCC1 CS-W004986 [0,0,0,1,0,0|3,0,0]=4 27 B6R1.6 NCC1CCC1 CS-W022619 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.7 CC1(CN)CC1 CS-0037189 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.7 CC1(CO)N=N1 CS-0101345 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.7 NCC1(O)CC1 CS-W005471 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.7 OCC1(O)CC1 CS-0037029 [0,0,0,1,0,0|1,0,0]=2 32 B6R1.8 C[C@@H]1C[C@H]1CN CS-0039743 [0,0,0,1,0,0|3,0,0]=4 33 B3R0.2 CB(O)O CS-W018525 [2,0,0,0,0,0|1,0,0]=3 34 B3R0.2 CC(O)=S CS-0015317 [2,0,0,0,0,0|0,1,1]=4 35 B5R0.1 C=CC[C@H](C)O CS-0081915 [1,1,0,0,0,0|1,0,0]=3 36 B5R0.1 CC(F)CCN CS-0104778 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.1 CCC[C@H](C)N CS-W006528 [1,1,0,0,0,0|2,0,0]=4 38 B5R0.1 COC[C@@H](C)N CS-W019198 [1,1,0,0,0,0|1,0,0]=3 39 B5R0.1 C[C@H](N)CCO CS-W019851 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.1 C[C@H](O)CCO CS-W016671 [1,1,0,0,0,0|0,0,0]=2 41 B5R0.4 CC(C)(F)CO CS-D1107 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.4 CC(F)(F)CN CS-0028374 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [1,1,0,0,0,0|0,0,2]=4 44 B5R0.2 CNCCCO CS-W007469 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.2 COCCNN CS-0035845 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.2 NNCCCO CS-0047562 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.2 OC\C=C\CO CS-B0322 [1,1,0,0,0,0|0,0,1]=3 48 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,2,0,0,0,0|2,0,0]=4 49 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [0,2,0,0,0,0|1,0,1]=4 52 B7R0.5 [C@H](N)(COC)C(=O)O CS-W006151 [0,2,0,0,0,0|1,0,1]=4 53 B7R0.7 COCC(=O)COC CS-W007070 [0,2,0,0,0,0|0,0,2]=4 54 B7R0.10 COC(=O)C(F)CO CS-0027052 [0,2,0,0,0,0|1,0,1]=4 55 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,2,0,0,0,0|0,0,1]=3 57 B7R0.11 CC(C)(CO)CCO CS-0046905 [0,2,0,0,0,0|1,0,0]=3 58 B7R0.13 CC(C)(CO)C(F)F CS-0096884 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.13 C[C@](N)(CO)C(=O)O CS-W008467 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.13 C[C@](O)(CBr)C(=O)O CS-W019154 [0,2,0,0,0,0|1,0,1]=4 61 B7R0.14 [C@H](N)(CO)C(C)(C)C CS-W008332 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,2,0,0,0,0|1,0,1]=4 63 B5R1.2 OC1CNC1 CS-D0673 [1,0,0,1,0,0|1,0,0]=3 64 B5R1.3 OC[C@H]1CO1 CS-0001461 [1,0,0,1,0,0|0,0,0]=2 65 B5R1.4 CC1CC1N CS-0047191 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.1 OCC1CCCN1 CS-W007622 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.1 OCC1CCNC1 CS-W019882 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,1,0,1,0,0|1,0,0]=3 72 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-0053617 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-W018626 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-B1526 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0053559 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.2 OC1CCC(O)C1 CS-0049625 [0,1,0,1,0,0|1,0,0]=3 77 B7R1.3 BrC1CCCOC1 CS-W019418 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.3 OC1CCCCO1 CS-0015921 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.4 C[C@H]1CCC[C@H]1O CS-0036366 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.4 C[C@H]1COC[C@@H]1O CS-0037574 [0,1,0,1,0,0|1,0,0]=3 84 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,1,0,1,0,0|1,0,0]=3 87 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0042168 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0058680 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.6 COCC1CNC1 CS-W023140 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.25 NC1(CO)CCC1 CS-0053661 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.29 N#CC1(CO)CC1 CS-D0565 [0,1,0,1,0,0|2,0,0]=4