0 B5R0.1 C=CC[C@H](C)O CS-0081915 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.1 CC(F)CCN CS-0104778 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CCC[C@H](C)N CS-W006528 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CN(C)CCBr CS-W004693 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 COC[C@@H](C)N CS-W019198 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 C[C@H](N)CCO CS-W019851 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 C[C@H](O)CCO CS-W016671 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.1 C=NN(C)C CS-M3085 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.1 C[C@@H](N)CF CS-0104382 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 C[C@H](N)CF CS-0090252 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 OCC(F)F CS-0020170 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.2 C=CCCN CS-0028781 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 C=CCNN CS-0038154 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.2 ClCCCI CS-W018493 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0015107 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.2 CC(C)NC(C)C CS-B1708 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [0,1,0,0,0,0|0,0,2]=3 18 B6R0.3 CNC(C)C(C)C CS-W000156 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.4 CC(C)NCCCl CS-W006300 [0,1,0,0,0,0|1,0,1]=3 20 B6R0.5 CC(C)(F)CCN CS-0061673 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.5 CC(C)(N)CCO CS-W004889 [0,1,0,0,0,0|0,0,2]=3 22 B6R0.5 CNCC(C)(C)C CS-W020152 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.5 C[Si](C)(C)\C=C\I CS-0022088 [0,1,0,0,0,0|1,1,1]=4 24 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [0,0,0,1,0,0|2,0,1]=4 25 B6R1.2 FC1CCNC1 CS-W005668 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,0,0,1,0,0|2,0,1]=4 27 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,0,0,1,0,0|1,0,2]=4 28 B6R1.2 OC1CCOC1 CS-M0786 [0,0,0,1,0,0|1,0,2]=4 29 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,0,0,1,0,0|1,0,2]=4 30 B6R1.3 CCNC1CC1 CS-0046972 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.3 OCC[C@@H]1CO1 CS-0057154 [0,0,0,1,0,0|1,0,2]=4 32 B6R1.5 CC1CC(N)C1 CS-W006905 [0,0,0,1,0,0|1,0,1]=3 33 B6R1.5 NC1CC(F)C1 CS-0045538 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.5 NC1CC(O)C1 CS-W003832 [0,0,0,1,0,0|1,0,2]=4 35 B6R1.5 N[C@H]1C[C@@H](O)C1 CS-W022615 [0,0,0,1,0,0|1,0,2]=4 36 B6R1.8 C[C@@H]1C[C@H]1CN CS-0039743 [0,0,0,1,0,0|1,0,1]=3 37 B6R1.10 CC1(O)COC1 CS-W005276 [0,0,0,1,0,0|3,0,0]=4 38 B5R0.3 CC(CN)CCl CS-0038279 [1,1,0,0,0,0|1,0,0]=3 39 B5R0.3 CCC(C)NN CS-0035425 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.3 CCC(F)CN CS-0104693 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.3 CO[C@H](C)CO CS-W011349 [1,1,0,0,0,0|0,0,1]=3 42 B5R0.3 OCC(O)CO CS-B1784 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.3 OC[C@@H](O)CF CS-0022575 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.3 OC[C@H](O)CF CS-0022569 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.4 CC(C)(F)CO CS-D1107 [1,1,0,0,0,0|0,0,1]=3 47 B5R0.4 CC(F)(F)CN CS-0028374 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.5 CC(=O)C(C)N CS-0105630 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.5 CC(C)C(N)=S CS-W011304 [1,1,0,0,0,0|0,1,0]=3 50 B5R0.5 CC(C)S(=O)[O-] CS-M3052 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.2 CNCCCO CS-W007469 [1,1,0,0,0,0|0,0,2]=4 54 B5R0.2 COCCNN CS-0035845 [1,1,0,0,0,0|2,0,0]=4 55 B5R0.2 NNCCCO CS-0047562 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,2,0,0,0,0|1,0,0]=3 57 B7R0.11 CC(C)(CO)CCO CS-0046905 [0,2,0,0,0,0|0,0,2]=4 58 B7R0.9 CC(C)(C)CB(O)O CS-0063198 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,2,0,0,0,0|0,0,0]=2 60 B7R0.14 [C@H](N)(CO)C(C)(C)C CS-W008332 [0,2,0,0,0,0|0,0,2]=4 61 B7R0.6 C(C(C)=O)=CN(C)C CS-W016611 [0,2,0,0,0,0|1,0,1]=4 62 B5R1.2 OC1CNC1 CS-D0673 [1,0,0,1,0,0|2,0,0]=4 63 B5R1.3 NNC1CC1 CS-B1049 [1,0,0,1,0,0|2,0,0]=4 64 B5R1.3 O=CC1CC1 CS-W013759 [1,0,0,1,0,0|0,0,0]=2 65 B5R1.3 OC[C@H]1CO1 CS-0001461 [1,0,0,1,0,0|1,0,1]=4 66 B5R1.4 CC1CC1N CS-0047191 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.1 NCC1CCCC1 CS-D0472 [0,1,0,1,0,0|1,0,1]=4 68 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,1,0,1,0,0|0,0,2]=4 69 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,1,0,1,0,0|0,0,2]=4 70 B7R1.1 OCC1CCNC1 CS-W019882 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,1,0,1,0,0|1,0,1]=4 72 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,1,0,1,0,0|0,0,2]=4 73 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,1,0,1,0,0|1,0,0]=3 74 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,1,0,1,0,0|1,0,0]=3 75 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,1,0,1,0,0|0,0,2]=4 78 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,1,0,1,0,0|0,0,2]=4 79 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,1,0,1,0,0|0,0,2]=4 80 B7R1.4 C[C@H]1CCC[C@H]1N CS-0079949 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.4 C[C@H]1CCC[C@H]1O CS-0036366 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.4 C[C@H]1COC[C@@H]1O CS-0037574 [0,1,0,1,0,0|0,0,2]=4 83 B7R1.6 COCC1CNC1 CS-W023140 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.6 N#CCC1CCC1 CS-0079983 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.10 CC1CC(CN)C1 CS-0036376 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.10 CNC1CC(C)C1 CS-0036338 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.10 CO[C@H]1C[C@H](N)C1 CS-0045545 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.25 COC1(C)CNC1 CS-0035135 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.16 NC1CS(=O)(=O)C1 CS-0037960 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.20 O=C(O)CC1CC1 CS-W011326 [0,1,0,1,0,0|0,0,0]=2