0 B7R1.3 C=C1CCCNC1 F8881-1787 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 C=C1CCCNC1 F8888-3017 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 C=C1CCNCC1 F8889-7546 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 NC1C=CCCC1 F8888-4627 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.2 CC=C1CCCNC1 F8884-6468 [0,1,0,0,0,0|2,0,1]=4 5 B8R1.3 C=C1CCC(=O)CC1 F2147-3380 [0,1,0,0,0,0|0,0,3]=4 6 B8R1.3 C=C1CCC(N)CC1 F2167-4005 [0,1,0,0,0,0|1,0,2]=4 7 B8R1.3 C=C1CCC(O)CC1 F2147-3381 [0,1,0,0,0,0|1,0,2]=4 8 B8R1.3 O=C1CC[C@@H](O)CN1 F1911-5596 [0,1,0,0,0,0|1,0,1]=3 9 B8R1.4 O=C1C=C(Br)CCC1 F8888-6710 [0,1,0,0,0,0|0,0,0]=1 10 B8R1.4 O=C1C=C(I)CCO1 F2147-3524 [0,1,0,0,0,0|1,0,0]=2 11 B8R1.4 O=C1CSCC(=O)C1 F1716-0400 [0,1,0,0,0,0|1,0,1]=3 12 B8R1.5 O=C1NCCCC1F F2147-8375 [0,1,0,0,0,0|1,0,1]=3 13 B6R0.4 C#CCCC(=O)Cl F1913-1831 [0,0,1,0,0,0|1,0,2]=4 14 B6R0.4 C#C\C=C\C(=O)O F1913-6731 [0,0,1,0,0,0|1,0,2]=4 15 B6R0.4 C=C(C)CCCN F1913-0543 [0,0,1,0,0,0|2,0,0]=3 16 B6R0.4 NCCC[N+](=O)[O-] F2147-8750 [0,0,1,0,0,0|3,0,0]=4 17 B6R0.4 NC\C=C\C(N)=O F1913-0315 [0,0,1,0,0,0|2,0,0]=3 18 B6R0.4 O=C(Cl)\C=C\CBr F1913-5652 [0,0,1,0,0,0|2,0,0]=3 19 B6R0.4 O=C(Cl)\C=C\CCl F1913-6643 [0,0,1,0,0,0|2,0,0]=3 20 B6R0.4 O=C(O)\C=C\CF F0006-0316 [0,0,1,0,0,0|2,0,0]=3 21 B6R0.6 C=CCCCC=O F2147-8874 [0,0,1,0,0,0|0,0,0]=1 22 B6R0.6 C=CCCN=[N+]=[N-] F8883-6623 [0,0,1,0,0,0|3,0,0]=4 23 B6R0.6 C=CCCNCC F1911-1848 [0,0,1,0,0,0|2,0,1]=4 24 B6R0.6 CNC\C=C\C#N F1913-0336 [0,0,1,0,0,0|2,0,1]=4 25 B6R1.2 C=C1CCNC1 F2167-4360 [0,0,0,0,1,0|2,0,1]=4 26 B6R1.2 C=C1CCNC1 F8884-6464 [0,0,0,0,1,0|2,0,1]=4 27 B6R1.2 FC1=CSC=C1 F2158-1265 [0,0,0,0,1,0|2,0,1]=4 28 B6R1.2 NC1C=CCC1 F2167-7627 [0,0,0,0,1,0|1,0,1]=3 29 B8R1.22 O=C1CSCCCN1 F2147-3664 [0,0,0,0,0,1|1,0,1]=3 30 B5R0.1 CC(C)=CCN F8888-0116 [1,0,1,0,0,0|2,0,0]=4 31 B5R0.1 CC(C)=CCN F8888-1877 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.2 C=CC(=O)CC(C)C F8884-0575 [0,1,1,0,0,0|0,0,0]=2 33 B7R0.2 CC(C)CC(=O)CCl F8880-2290 [0,1,1,0,0,0|1,0,1]=4 34 B7R0.3 CNC(=O)\C=C\CBr F1913-2923 [0,1,1,0,0,0|1,0,0]=3 35 B7R0.3 CNC(=O)\C=C\CCl F1913-6644 [0,1,1,0,0,0|1,0,0]=3 36 B7R0.3 COC(=O)\C=C\CF F1913-6628 [0,1,1,0,0,0|1,0,0]=3 37 B7R0.3 COC(=O)\C=C\CS F1913-7698 [0,1,1,0,0,0|1,0,0]=3 38 B7R0.3 COCCC(=O)CCl F8889-0261 [0,1,1,0,0,0|1,0,1]=4 39 B7R0.3 O=C(CCl)CCCCl F8881-1741 [0,1,1,0,0,0|1,0,1]=4 40 B7R0.4 C=C(C)CCCNC F1913-0544 [0,1,1,0,0,0|1,0,1]=4 41 B7R0.4 CC(=O)C#CCCO F1913-6699 [0,1,1,0,0,0|0,0,2]=4 42 B7R0.4 CC(C)C=CCCBr F8884-5859 [0,1,1,0,0,0|1,0,1]=4 43 B7R0.4 CNC\C=C\C(N)=O F1913-0316 [0,1,1,0,0,0|1,0,0]=3 44 B7R0.4 C\C=C\C=C/C(=O)O F2191-0241 [0,1,1,0,0,0|1,0,1]=4 45 B7R0.6 CC(=O)OCC(C)C F0001-0218 [0,1,1,0,0,0|1,0,1]=4 46 B7R0.6 O=C(O)CCC(F)F F8880-4978 [0,1,1,0,0,0|2,0,0]=4 47 B7R0.6 O=C(O)\C=C\C(F)F F1913-6630 [0,1,1,0,0,0|2,0,0]=4 48 B7R1.1 N#CC1=CCCO1 F8881-7352 [0,1,0,0,1,0|2,0,0]=4 49 B7R1.2 CC1CC(=O)CS1 F2147-2203 [0,1,0,0,1,0|1,0,1]=4 50 B7R1.4 CC1COCC1=O F2167-8874 [0,1,0,0,1,0|1,0,1]=4 51 B7R1.4 O=C1CCCC1O F8888-4387 [0,1,0,0,1,0|0,0,1]=3 52 B7R1.4 O=C1NCCC1F F2147-8443 [0,1,0,0,1,0|1,0,0]=3 53 B9R1.5 CC1CSCCNC1=O F2147-1410 [0,1,0,0,0,1|1,0,1]=4 54 B9R1.5 O=C1CCCCC=C1F F2167-4818 [0,1,0,0,0,1|0,0,0]=2 55 B9R1.48 CC1CC(=O)NCCN1 F8880-2316 [0,1,0,0,0,1|1,0,1]=4 56 B9R1.49 CC1CCNC(=O)CO1 F1913-2480 [0,1,0,0,0,1|1,0,1]=4 57 B9R1.49 NC1CCOC(=O)CC1 F2147-2083 [0,1,0,0,0,1|0,0,2]=4 58 B9R1.49 O=C1CCC(O)CCO1 F2147-2084 [0,1,0,0,0,1|0,0,2]=4 59 B9R1.1 C#CC1CCC(=O)CC1 F8888-1106 [0,2,0,0,0,0|0,0,2]=4 60 B9R1.2 O=C1CCCC(CCl)O1 F1913-3311 [0,2,0,0,0,0|1,0,1]=4 61 B9R1.15 CC1=C(CO)CCCO1 F2147-5246 [0,2,0,0,0,0|1,0,1]=4 62 B9R1.15 CCC1CCCNC1=O F1913-7612 [0,2,0,0,0,0|1,0,1]=4 63 B9R1.15 NCC1CCCNC1=O F8887-7819 [0,2,0,0,0,0|1,0,1]=4 64 B9R1.10 CC1(C)CCC(=O)NC1 F2147-5456 [0,2,0,0,0,0|1,0,1]=4 65 B9R1.10 CC1(C)CCC(=O)OC1 F2147-3028 [0,2,0,0,0,0|1,0,1]=4 66 B9R1.10 O=C1CCC(F)(F)CO1 F1913-7071 [0,2,0,0,0,0|1,0,1]=4 67 B9R1.69 CC1NC(=O)CCC1N F2147-7967 [0,2,0,0,0,0|1,0,1]=4 68 B9R1.69 CN1CC(O)CCC1=O F1911-5597 [0,2,0,0,0,0|1,0,1]=4 69 B9R1.69 CN1C[C@@H](O)CCC1=O F1911-5598 [0,2,0,0,0,0|1,0,1]=4 70 B9R1.69 CN1C[C@H](O)CCC1=O F1911-5599 [0,2,0,0,0,0|1,0,1]=4 71 B9R1.40 CC1(N)CCCNC1=O F1913-7530 [0,2,0,0,0,0|1,0,1]=4 72 B7R1.22 NCC(=O)C1CC1 F8888-2121 [0,0,1,1,0,0|1,0,1]=4 73 B7R1.18 O=C(O)C1=CCC1 F8889-7863 [0,0,1,1,0,0|1,0,0]=3 74 B7R1.20 O=C(O)C=C1CC1 F8880-6304 [0,0,1,1,0,0|1,0,0]=3 75 B9R2.7 O=C1CC2CCCC12 F8884-9269 [0,0,0,1,0,1|0,0,2]=4 76 B9R2.17 NC12CC1COC2=O F2147-3037 [0,1,0,1,0,0|1,0,1]=4 77 B5R1.2 C=C1CNC1 F2167-4361 [0,0,0,0,2,0|2,0,0]=4 78 B5R1.2 C=C1CNC1 F8884-6681 [0,0,0,0,2,0|2,0,0]=4