0 B22R3.12627361 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 RT19001 [0,0,0,0,0,0|0,0,0]=0 1 B22R3.12627361 CNCC\C=C1/C2=CC=CC=C2COC3=CC=CC=C31 RT4344 [0,0,0,0,0,0|2,0,1]=3 2 B22R3.12627361 CNCC\C=C1/C2=CC=CC=C2CSC3=CC=CC=C31 RT16668 [0,0,0,0,0,0|2,0,1]=3 3 B21R3.590114 ClCCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 RT9651 [1,0,0,0,0,0|1,0,0]=2 4 B21R3.590114 NCCCC1C2=CC=CC=C2C=CC3=CC=CC=C31 RT12069 [1,0,0,0,0,0|1,0,2]=4 5 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 CJ3502 [0,1,0,0,0,0|1,0,1]=3 6 B23R3.26139327 CN(C)CCCN1C2=CC=CC=C2C=CC3=CC=CC=C31 RT10093 [0,1,0,0,0,0|0,0,2]=3 7 B23R3.26139327 CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=CC=C3 HL1428 [0,1,0,0,0,0|0,0,0]=1 8 B23R3.26139327 CN(C)CC\C=C1/C2=C(C=CC=C2)COC3=C1C=CC=C3 YH38816 [0,1,0,0,0,0|2,0,1]=4 9 B23R3.26139327 CN(C)CC\C=C1\C2=CC=CC=C2CCC3=C1C=CC=C3 YH04005 [0,1,0,0,0,0|1,0,1]=3 10 B23R3.26139327 CN(C)CC\C=C1\C2=CC=CC=C2CSC3=C1C=CC=C3 RT4944 [0,1,0,0,0,0|2,0,1]=4 11 B23R3.153679454 CNCCCC1C2=CC=CC=C2C=C(O)C3=CC=CC=C31 RT4783 [0,1,0,0,0,0|1,0,2]=4 12 B23R3.153679454 CNCC\C=C1/C2=CC=CC=C2CC(O)C3=CC=CC=C31 RT4790 [0,1,0,0,0,0|1,0,1]=3 13 B23R3.153679454 CNCC\C=C1\C2=CC=CC=C2CC(O)C3=CC=CC=C31 RT4788 [0,1,0,0,0,0|1,0,1]=3 14 B22R3.914266 OC1=CC=C2C(=C1)CCC3=CC=CC=C3N2CCCCl RT9543 [1,1,0,0,0,0|1,0,0]=3 15 B22R3.13809978 ClCCCN1C2=CC=CC=C2CCC3=CC=C(Cl)C=C31 RT14635 [1,1,0,0,0,0|1,0,0]=3 16 B22R3.12627800 CNCCCN1C2=CC(Cl)=CC=C2SC3=C1C=CC=C3 RT14974 [0,1,0,0,1,0|1,0,0]=3 17 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2CC3=C1C=CC=C3 RT8119 [0,1,0,0,1,0|0,0,0]=2 18 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=C1C=CC=C3 RT4632 [0,1,0,0,1,0|1,0,0]=3 19 B24R3.2438581 CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=CC(O)=C3 RT16879 [0,2,0,0,0,0|0,0,0]=2 20 B24R3.32966772 CNCC(C)CN1C2=CC=CC=C2CCC3=CC(O)=CC=C31 RT4341 [0,2,0,0,0,0|0,0,0]=2 21 B24R3.115675198 CC(CN(C)C)CN1C2=CC=CC=C2CCC3=C1C=CC=C3 YH65573 [0,2,0,0,0,0|0,0,0]=2 22 B24R3.118819978 CN(C)CCCN1C2=CC=CC=C2C=CC3=CC=C(Cl)C=C31 RT10041 [0,2,0,0,0,0|0,0,2]=4 23 B24R3.118819978 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=C(Cl)C=C31 RT4597 [0,2,0,0,0,0|0,0,0]=2 24 B24R3.589719615 CN(C)CCCC1(O)C2=CC=CC=C2CSC3=CC=CC=C31 RT4945 [0,2,0,0,0,0|2,0,0]=4 25 B24R3.1505225918 C[N+](C)([O-])CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 RT16950 [0,2,0,0,0,0|0,0,1]=3 26 B24R3.252558763 CNCCCC1C2=CC=CC=C2C(O)C(O)C3=CC=CC=C31 RT4784 [0,2,0,0,0,0|1,0,0]=3 27 B24R3.252558763 CNCC\C=C1\C2=CC=CC=C2[C@H](O)[C@H](O)C3=CC=CC=C31 RT4779 [0,2,0,0,0,0|1,0,1]=4 28 B20R3.368533 BrCCCN1C2=CC=CC=C2SC3=C1C=CC=C3 RT9999 [1,0,0,0,1,0|2,0,0]=4