0  B17R3.2679  C1CN=C(N1)C2CCCc3c2cccc3 1P00G2PB [0,0,0,0,0,0|0,0,0]=0
1  B17R3.2679  C1CN=C(N1)C2CCCc3c2cccc3 1P00I9SS [0,0,0,0,0,0|0,0,0]=0
2  B17R3.2679  C1CN=C(N1)c2nccc3c2cccc3 1P01J3X9 [0,0,0,0,0,0|1,0,3]=4
3  B17R3.2679  c1ccc2c(c1)C(CCO2)c3ncc[nH]3 1P01BVAD [0,0,0,0,0,0|1,0,2]=3
4  B18R3.2910  Nc1nnc(s1)C2CCCc3c2cccc3 1P01BEOZ [0,1,0,0,0,0|2,0,1]=4
5  B18R3.2910  Nc1onc(n1)C2CCCc3c2cccc3 1P01A5PS [0,1,0,0,0,0|1,0,2]=4
6  B16R2.2304  CCOc1ccccc1\N=C/2\NCCS2 1P019HL7 [0,0,1,0,0,0|3,0,0]=4
7  B16R2.50359  NCCCOC1CCCc2c1cccc2 1P01AIQ3 [0,0,1,0,0,0|2,0,0]=3
8  B16R2.50359  OCCCNC1CCCc2c1cccc2 1P019SYQ [0,0,1,0,0,0|3,0,0]=4
9  B16R2.160202  CCOC(=O)C1CCCc2c1cccc2 1P01KLHW [0,0,1,0,0,0|2,0,0]=3
10  B16R2.160202  CCOC(=O)C1CCCc2c1nccc2 1P01BERW [0,0,1,0,0,0|3,0,0]=4
11  B16R2.160202  CCOC(=O)C1CCNc2c1cccc2 1P00CDBE [0,0,1,0,0,0|3,0,0]=4
12  B16R2.160202  CCOC(=O)C1CNCc2c1cccc2 1P00DMD3 [0,0,1,0,0,0|3,0,0]=4
13  B16R2.160202  CCOC(=O)C1CNCc2c1cccc2 1P0282JS [0,0,1,0,0,0|3,0,0]=4
14  B16R2.160202  CCOC(=O)C1NCCc2c1cccc2 1P0085WB [0,0,1,0,0,0|3,0,0]=4
15  B16R3.8  C1CN=C(N1)c2n[nH]c3c2cccc3 1P01A8TE [0,0,0,0,1,0|2,0,1]=4
16  B18R3.11  C1CNC(C1)CC2CCCc3c2cccc3 1P01BDTG [0,0,0,0,0,1|1,0,1]=3
17  B15R2.131  CCC(c1ccccc1)C2CCCN2 1P019TOW [1,0,1,0,0,0|1,0,1]=4
18  B15R2.18471  C#CCNC1CCCc2c1cccc2 1P019WKR [1,0,1,0,0,0|1,0,1]=4
19  B15R2.18471  CCCNC1CCCc2c1nccc2 1P01A3QP [1,0,1,0,0,0|2,0,0]=4
20  B15R2.18471  CONCC1CCCc2c1cccc2 1P01BYA0 [1,0,1,0,0,0|1,0,1]=4
21  B15R2.18471  NCCCN1CCCc2c1cccc2 1P002TDJ [1,0,1,0,0,0|1,0,1]=4
22  B15R2.18471  NCCOC1CCCc2c1cccc2 1P027TON [1,0,1,0,0,0|1,0,0]=3
23  B15R2.18471  OCCNC1CCCc2c1cccc2 1P01AICS [1,0,1,0,0,0|1,0,0]=3
24  B15R2.79765  BrCC(=O)C1CCCc2c1cccc2 1P01BHFB [1,0,1,0,0,0|2,0,0]=4
25  B15R2.79765  CNC(=O)C1CCCc2c1nccc2 1P01XCG1 [1,0,1,0,0,0|2,0,0]=4
26  B15R2.79765  CNC(=O)C1NCCc2c1cccc2 1P028S5Q [1,0,1,0,0,0|2,0,0]=4
27  B15R2.79765  CNC(C1OCCc2c1cccc2)C 1P0292NG [1,0,1,0,0,0|1,0,1]=4
28  B15R2.79765  COC(=O)C1CCCc2c1cccc2 1P00BBXK [1,0,1,0,0,0|2,0,0]=4
29  B15R2.79765  ON=C(C1CCCc2c1cccc2)N 1P01A68V [1,0,1,0,0,0|1,0,0]=3
30  B17R2.440810  NCCNC(=O)C1CCCc2c1cccc2 1P0033A3 [0,1,1,0,0,0|0,0,1]=3
31  B17R2.440810  NCCNC(=O)C1CCCc2c1cccc2 1P01K144 [0,1,1,0,0,0|0,0,1]=3
32  B17R3.127936  C1CCC2(CN1)CCCc3c2cccc3 1P019ZB9 [0,0,1,1,0,0|1,0,1]=4
33  B17R3.127936  C1CCC2(CN1)CCCc3c2cccc3 1P028IM4 [0,0,1,1,0,0|1,0,1]=4
34  B15R2.2196  C1CNC(C1)CCCc2ccccc2 1P01A1K2 [0,0,1,0,1,0|1,0,1]=4
35  B15R2.2196  c1ccc(cc1)CCCc2nnn[nH]2 1P019YX8 [0,0,1,0,1,0|2,0,0]=4
36  B15R2.2196  c1ccc(cc1)CCNC2=NCCS2 1P006PYM [0,0,1,0,1,0|2,0,0]=4
37  B15R3.1743  c1ccc2c(c1)C(CCC2)C3CO3 1P028D2J [0,0,0,0,2,0|1,0,1]=4