0 B8R0.28 CC(N)CCCC(C)C BCP18780 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.28 O=C(O)\C=C\CN(C)C BCP05598 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.28 O=C(O)\C=C\CN(C)C BCP09008 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 O=C(O)CCCCO BCP10662 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.4 OC(\C=C\OCC)=O BCP05609 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.7 N[C@@H](C(N)=O)CCC(O)=O BCP17216 [0,1,0,0,0,0|2,0,1]=4 6 B9R0.7 O=C(C(S)C)NCC(O)=O BCP13354 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.53 CC(C)C[C](N)CC(O)=O BCP11737 [0,1,0,0,0,0|0,0,1]=2 8 B9R0.56 C[N+](C)(C)NCCC([O-])=O BCP04503 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 BCP17069 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.35 O=C(O)[C]1C[C@H](CN1)O BCP16291 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.35 O=C(O)[C]1NC[C@@H](O)C1 BCP14276 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.35 O=C(O)[C]1NC[C@@H](O)C1 BCP21137 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.35 O=C1CC[C@@H](N1)C(=O)O BCP09505 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.35 O[C@@H]1C[C](C(O)=O)NC1 BCP10481 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.66 O=C1CCCC(C)(C)C1 BCP15134 [0,0,0,1,0,0|1,0,0]=2 16 B7R0.6 O=C(O)CC[N+]([O-])=O BCP15066 [0,0,0,0,1,0|3,0,0]=4 17 B7R0.6 O=C(O)CSC(F)F BCP19125 [0,0,0,0,1,0|3,0,0]=4 18 B6R0.4 BrCCCN(C)C BCP18662 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.4 CC(C)CCCO BCP06801 [2,0,0,0,0,0|0,0,0]=2 20 B6R0.4 CCCCC(N)=N BCP11276 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.4 OC(CSCC)=O BCP05241 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.6 C=CCCCCO BCP03575 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.6 CCCCCCO BCP29486 [2,0,0,0,0,0|0,0,1]=3 24 B6R0.6 O=CCCCCO BCP10790 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.6 OCCCCOC BCP22070 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.6 C=CC(O)CCCCC BCP19092 [1,1,0,0,0,0|1,0,1]=4 27 B8R0.7 OCCCCNC(C)C BCP16963 [1,1,0,0,0,0|0,0,1]=3 28 B8R0.8 N[C](C(O)=O)CCCN BCP18679 [1,1,0,0,0,0|1,0,1]=4 29 B8R0.8 N[C](CCCN)C(O)=O BCP13629 [1,1,0,0,0,0|1,0,1]=4 30 B8R0.8 O=C([O-])C(O)CCSC BCP11942 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.9 C=CC(N)CCC(O)=O BCP16218 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.9 C=C[C@@H](N)CCC(O)=O BCP09861 [1,1,0,0,0,0|0,0,2]=4 33 B8R0.9 NCC(=O)CCC(O)=O BCP23830 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.9 O=C(O)CCC(CN)=O BCP02161 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,1,0,0,1,0|0,0,0]=2 36 B8R0.29 O=C(O)CNC(C)(C)C BCP01461 [0,1,0,0,1,0|1,0,0]=3 37 B10R0.96 O=C(CC(C)=O)CCC(O)=O BCP17098 [0,1,0,0,0,1|1,0,1]=4 38 B10R0.65 CCC(O)(C)CCCC(C)C BCP08646 [0,2,0,0,0,0|1,0,1]=4 39 B10R0.92 O=C(O)[C@@H](N)CCS(=N)(C)=O BCP10104 [0,2,0,0,0,0|2,0,0]=4 40 B10R0.31 O[C@@H](CC([O-])=O)C[N+](C)(C)C BCP11827 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.70 NCC(CC(O)=O)CC(C)C BCP17115 [0,2,0,0,0,0|0,0,0]=2 42 B10R0.70 NC[C](CC(O)=O)CC(C)C BCP05685 [0,2,0,0,0,0|0,0,1]=3 43 B8R1.4 CN1CCNC(=O)C1 BCP17253 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.4 O=C1CC(N)CCN1 BCP07513 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.4 OC1CCNC(=O)C1 BCP11689 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.7 O=C(O)C1CNCC1 BCP04865 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.7 OC(=O)C1COCC1 BCP08172 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.34 O=C(O)CC1CCC1 BCP15064 [1,0,0,1,0,0|0,0,0]=2 49 B8R1.72 CC1(C)CNCCO1 BCP14464 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,0,0,1,1,0|1,0,0]=3 51 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,0,0,1,1,0|1,0,0]=3 52 B8R1.23 O=C(C1CC(C1)=O)O BCP01232 [0,0,0,1,1,0|1,0,1]=4 53 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [0,0,0,1,1,0|1,0,0]=3 54 B8R1.77 CC1(C[C]1C(N)=O)C BCP16588 [0,0,0,1,1,0|1,0,1]=4 55 B8R1.77 O=C(C1C(F)(F)C1)O BCP19593 [0,0,0,1,1,0|2,0,0]=4 56 B10R1.113 CC1=NCCC(N1)C(=O)O BCP14520 [0,0,0,1,0,1|1,0,1]=4 57 B10R1.13 O=C1CCC(CC1)N(C)C BCP03024 [0,1,0,1,0,0|2,0,0]=4 58 B6R0.2 CC(C)CC(N)=O BCP05941 [0,0,0,0,2,0|1,0,0]=3 59 B6R0.2 CC(C)NC(C)=O BCP19527 [0,0,0,0,2,0|2,0,0]=4 60 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,0,0,0,2,0|1,0,0]=3 61 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,0,0,0,2,0|1,0,0]=3 62 B6R0.2 OB(CC(C)C)O BCP12813 [0,0,0,0,2,0|1,0,1]=4