0 B8R1.3 BrC1CCC(Br)NC1 B10767 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 CN1CCC(O)CC1 M3416 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.3 C[C@H]1CC[C@H](N)CC1 M17931 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.3 C[C@H]1CC[C@H](N)CC1 M6135 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.3 C[C@H]1CN[C@H](C)CN1 D3385 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.3 NC1CCC(O)CC1 A0964 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.3 O=C1CCC(O)CC1 H15821 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.3 OC1CSC(O)CS1 D5391 [0,0,0,0,0,0|0,0,0]=0 11 B7R1.3 BrC1CCCCN1 B7610 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.3 BrC1CCCNC1 B7611 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.3 CC1CCCCN1 M6451 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.3 CC1CCCNC1 P3032 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.3 C[C@@H]1CNCCN1 R6055 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 C[C@H]1CCCCN1 M3041 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.3 NC1CCCNC1 A11018 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.3 NC1CCCNC1 P19410 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 NC1CCCNC1 P7273 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.3 N[C@@H]1CCCNC1 A3658 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.3 N[C@H]1CCCNC1 A11799 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.3 OC1CCCNC1 H6045 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 OC1CCCNC1 P11038 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 OC1CCNCC1 H0402 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.3 OC1CCNCC1 H0402 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.3 OC1CCNCC1 H5175 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.3 O[C@@H]1CCCNC1 R6046 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 O[C@@H]1CCCNC1 R6046 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 O[C@H]1CCCNC1 P3031 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.3 CCCCC(O)CN A13447 [0,0,1,0,0,0|3,0,0]=4 31 B7R0.6 C[C@H](O)CC[C@H](C)O H5146 [0,0,1,0,0,0|2,0,0]=3 32 B7R1.2 CN1CCC(O)C1 P6737 [0,0,0,0,1,0|3,0,0]=4 33 B7R1.2 CN1CC[C@H](O)C1 M19385 [0,0,0,0,1,0|3,0,0]=4 34 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,0,0,0,1,0|0,1,2]=4 35 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,0,1,0|1,0,2]=4 36 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,0,1,0|1,0,2]=4 37 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,0,0,0,1,0|0,1,2]=4 38 B7R1.2 OC1CCC(O)C1 C18885 [0,0,0,0,1,0|1,0,0]=2 39 B6R0.1 OCC[C@@H](O)CO B7203 [1,0,1,0,0,0|0,1,0]=3 40 B6R1.1 C1COCCN1 M12430 [2,0,0,0,0,0|1,1,0]=4 41 B6R1.1 C1CSCCN1 T4979 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.2 COC1CCCNC1 M14733 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.2 OCC1CCCCN1 P11278 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.2 OCC1CCCNC1 P11620 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.2 OCC1CNCCN1 H17068 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.2 OCC1CNCCO1 H13089 [1,1,0,0,0,0|1,1,0]=4 47 B8R1.2 OC[C@H]1CNCCO1 H16873 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.13 O=C(O)C1CCC(O)CC1 H0233 [0,2,0,0,0,0|2,0,0]=4 49 B10R1.297 CC1(O)CSC(C)(O)CS1 D17697 [0,2,0,0,0,0|0,0,0]=2 50 B10R1.119 OC1OC[C@@H](O)[C@H](O)[C@H]1O X0935 [0,2,0,0,0,0|1,1,0]=4 51 B10R1.119 O[C@H]1CO[C@H](O)[C@H](O)[C@H]1O A2699 [0,2,0,0,0,0|1,1,0]=4 52 B6R1.2 CC1CCNC1 M17094 [1,0,0,0,1,0|2,0,0]=4 53 B6R1.2 C[C@@H]1CCCN1 M7218 [1,0,0,0,1,0|2,0,0]=4 54 B6R1.2 C[C@H]1CCCN1 M3036 [1,0,0,0,1,0|2,0,0]=4 55 B6R1.2 F[C@H]1CCNC1 F12344 [1,0,0,0,1,0|2,0,0]=4 56 B6R1.2 N[C@@H]1CCNC1 A13883 [1,0,0,0,1,0|2,0,0]=4 57 B6R1.2 N[C@@H]1CCNC1 P6035 [1,0,0,0,1,0|2,0,0]=4 58 B6R1.2 N[C@H]1CCNC1 A6036 [1,0,0,0,1,0|2,0,0]=4 59 B6R1.2 N[C@H]1CCOC1 A19174 [1,0,0,0,1,0|1,1,0]=4 60 B6R1.2 O=C1CCSC1 T11319 [1,0,0,0,1,0|0,0,2]=4 61 B6R1.2 O[C@@H]1CCNC1 P4795 [1,0,0,0,1,0|1,0,0]=3 62 B6R1.2 O[C@@H]1CCNC1 P4796 [1,0,0,0,1,0|1,0,0]=3 63 B6R1.2 O[C@@H]1CCOC1 H7200 [1,0,0,0,1,0|0,1,0]=3 64 B6R1.2 O[C@H]1CCNC1 H6043 [1,0,0,0,1,0|1,0,0]=3 65 B6R1.2 O[C@H]1CCNC1 H6043 [1,0,0,0,1,0|1,0,0]=3 66 B6R1.2 O[C@H]1CCNC1 P6678 [1,0,0,0,1,0|1,0,0]=3 67 B6R1.2 O[C@H]1CCOC1 H2612 [1,0,0,0,1,0|0,1,0]=3