0 B6R1.2 NC1CCSC1 F2147-1613 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.1 C#CC1CCCN1 F2147-2043 [0,1,0,0,0,0|2,0,1]=4 2 B7R1.1 C#CC1CCCN1 F2167-2863 [0,1,0,0,0,0|2,0,1]=4 3 B7R1.1 C=CC1CCNC1 F2167-8027 [0,1,0,0,0,0|2,0,1]=4 4 B7R1.1 CCC1CCCN1 F8880-6440 [0,1,0,0,0,0|2,0,1]=4 5 B7R1.1 CCC1CCCN1 F8888-3269 [0,1,0,0,0,0|2,0,1]=4 6 B7R1.1 CCC1CCNC1 F8881-7172 [0,1,0,0,0,0|2,0,1]=4 7 B7R1.1 CCC1CCNC1 F8887-6136 [0,1,0,0,0,0|2,0,1]=4 8 B7R1.1 CNC1CCOC1 F1906-0103 [0,1,0,0,0,0|2,0,1]=4 9 B7R1.1 CNC1CCSC1 F2158-1845 [0,1,0,0,0,0|2,0,1]=4 10 B7R1.1 N#CC1CCNC1 F1907-0845 [0,1,0,0,0,0|2,0,1]=4 11 B7R1.1 NOC1CCCC1 F1913-1612 [0,1,0,0,0,0|0,0,2]=3 12 B7R1.1 OC[C@H]1CCCO1 F0001-2349 [0,1,0,0,0,0|1,0,2]=4 13 B7R1.2 CC1CCC(C)N1 F2124-0275 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.2 NC1CNC(=O)C1 F2158-1004 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.2 NN1CCC(F)C1 F1907-4438 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.4 CC1CCCC1N F8888-6869 [0,1,0,0,0,0|1,0,1]=3 17 B7R1.4 CN1CCSC1=N F0861-0066 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.4 O=C1CCCC1Br F8888-2301 [0,1,0,0,0,0|0,0,0]=1 19 B7R1.4 OC1CNCC1F F2167-4338 [0,1,0,0,0,0|1,0,2]=4 20 B7R1.14 CC1(C)CCNC1 F2148-0037 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(O)CCN F8880-3625 [0,0,1,0,0,0|1,0,2]=4 22 B5R0.1 CNCC(N)=O F8880-4275 [0,0,1,0,0,0|2,0,0]=3 23 B5R0.1 COCC(N)=O F1913-0020 [0,0,1,0,0,0|2,0,0]=3 24 B5R0.2 C#CCCCN F2147-1023 [0,0,1,0,0,0|2,0,1]=4 25 B5R0.2 C#CCCNC F1913-0949 [0,0,1,0,0,0|2,0,1]=4 26 B5R0.2 C=CCCNC F1911-1847 [0,0,1,0,0,0|2,0,0]=3 27 B5R1.2 CC1CCN1 F8888-7636 [0,0,0,0,1,0|2,0,1]=4 28 B5R1.2 NC1CSC1 F1907-0861 [0,0,0,0,1,0|2,0,1]=4 29 B7R1.3 NC1=NCCSC1 F2155-0023 [0,0,0,0,0,1|2,0,0]=3 30 B6R0.1 CCNC(=O)CBr F3310-0889 [0,1,1,0,0,0|1,0,0]=3 31 B6R0.1 CCS(=O)CCN F2147-1018 [0,1,1,0,0,0|2,0,0]=4 32 B6R0.2 CC(=O)CC(C)N F1791-1136 [0,1,1,0,0,0|0,0,0]=2 33 B6R0.2 CC(=O)CC(C)N F1997-0017 [0,1,1,0,0,0|0,0,0]=2 34 B6R0.4 C=C(C)CCCBr F1913-0542 [0,1,1,0,0,0|1,0,0]=3 35 B6R0.4 C=C(C)CCCO F1913-0541 [0,1,1,0,0,0|1,0,0]=3 36 B6R0.4 CCCNC(C)C F8889-6089 [0,1,1,0,0,0|1,0,1]=4 37 B6R0.4 CCNCC(C)C F8880-2710 [0,1,1,0,0,0|1,0,1]=4 38 B6R0.4 CCOCC(C)N F2167-3742 [0,1,1,0,0,0|1,0,1]=4 39 B6R0.6 CCCCN=[N+]=[N-] F1901-3137 [0,1,1,0,0,0|2,0,0]=4 40 B6R0.6 CCOCCNC F8880-1014 [0,1,1,0,0,0|2,0,0]=4 41 B6R0.6 COCCCNN F8887-6111 [0,1,1,0,0,0|2,0,0]=4 42 B8R1.2 C#CC1CCCNC1 F2167-2866 [0,1,0,0,0,1|1,0,1]=4 43 B8R1.2 C#CC1CCNCC1 F2167-2865 [0,1,0,0,0,1|1,0,1]=4 44 B8R1.2 C#CC1CCOCC1 F2147-2832 [0,1,0,0,0,1|1,0,1]=4 45 B8R1.2 C=CC1CCCNC1 F2167-8023 [0,1,0,0,0,1|1,0,1]=4 46 B8R1.2 CCC1CCCNC1 F8887-7918 [0,1,0,0,0,1|1,0,1]=4 47 B8R1.2 FCC1CCNCC1 F2148-2173 [0,1,0,0,0,1|1,0,1]=4 48 B8R1.3 O=C1CCC(O)CN1 F1911-5594 [0,1,0,0,0,1|0,0,0]=2 49 B8R1.3 O=C1CC[C@H](O)CN1 F1911-5595 [0,1,0,0,0,1|0,0,0]=2 50 B8R1.4 O=C1COCC(=O)N1 F2167-4110 [0,1,0,0,0,1|1,0,1]=4 51 B8R1.5 FC1CCCCC1Br F1911-2865 [0,1,0,0,0,1|1,0,1]=4 52 B8R1.1 NN1CCC(CF)C1 F1907-4561 [0,2,0,0,0,0|2,0,0]=4 53 B8R1.1 O=C1NC(CO)CO1 F2147-2878 [0,2,0,0,0,0|2,0,0]=4 54 B8R1.7 O=C(Cl)C1CCOC1 F0001-1806 [0,2,0,0,0,0|1,0,1]=4 55 B8R1.8 CNCC1CCCC1 F2148-2253 [0,2,0,0,0,0|1,0,1]=4 56 B8R1.8 O=CCC1CCCC1 F2147-1742 [0,2,0,0,0,0|0,0,1]=3 57 B8R1.11 C#C[C@@H]1CCC[C@H]1O F1912-1685 [0,2,0,0,0,0|0,0,2]=4 58 B8R1.11 CN[C@@H]1CCC[C@H]1F F1912-2854 [0,2,0,0,0,0|1,0,1]=4 59 B8R1.11 O=C1CCCN1CCl F0861-0039 [0,2,0,0,0,0|1,0,0]=3 60 B8R1.52 CC1(CN)CCCC1 F8881-5936 [0,2,0,0,0,0|1,0,1]=4 61 B8R1.18 CN1CC(N)CC1=O F2147-0202 [0,2,0,0,0,0|1,0,0]=3 62 B8R1.50 CN1CCC(N)C1=O F1905-0252 [0,2,0,0,0,0|1,0,0]=3 63 B8R1.51 CC1(C)COC(=O)C1 F1913-2916 [0,2,0,0,0,0|1,0,0]=3 64 B8R1.51 NC1CCC(F)(F)C1 F8888-7110 [0,2,0,0,0,0|1,0,1]=4 65 B8R2.34 C1CC2CC1CN2 F2147-1256 [0,0,0,1,0,1|1,0,1]=4 66 B8R1.22 CC1CCCCCN1 F8880-1466 [0,0,0,0,0,2|1,0,1]=4 67 B8R1.22 CC1CNCCCO1 F2148-0118 [0,0,0,0,0,2|1,0,1]=4 68 B8R1.22 CC1CNCCSC1 F2147-1411 [0,0,0,0,0,2|1,0,1]=4