0 B14R2.3 CCCCN1CCC2=C1C=CC=C2 S869902 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.1 N#CCN1CCC2=C1C=CC=C2 PH011604 [1,0,0,0,0,0|2,0,0]=3 2 B13R2.1 NCCN1CCC2=CC=CC=C12 CBR01137 [1,0,0,0,0,0|2,0,1]=4 3 B15R2.73 C#CCN(C)[C@@H]1CCC2=C1C=CC=C2 PH015433 [0,1,0,0,0,0|0,0,0]=1 4 B15R2.73 C#CCN(C)[C@H]1CCC2=C1C=CC=C2 PH015435 [0,1,0,0,0,0|0,0,0]=1 5 B13R1.26 CCN(CCC#N)C1=CC=CC=C1 S412724 [0,0,1,0,0,0|3,0,0]=4 6 B13R1.26 COC(CCC#N)C1=CC=CC=C1 S352306 [0,0,1,0,0,0|3,0,0]=4 7 B13R1.26 ClCCNC(CCl)C1=CC=CC=C1 PH012048 [0,0,1,0,0,0|2,0,1]=4 8 B13R1.28 C#CCCCC#CC1=CC=CC=C1 T304271 [0,0,1,0,0,0|1,0,2]=4 9 B13R1.28 C#CCCCOCC1=CC=CC=C1 T286494 [0,0,1,0,0,0|2,0,0]=3 10 B13R1.28 CCCNCCOC1=CC=CC=C1 PH013289 [0,0,1,0,0,0|1,0,2]=4 11 B13R1.28 ClCCCCCCC1=CC=CC=C1 PH000050 [0,0,1,0,0,0|2,0,1]=4 12 B13R1.28 N#CCCCCCC1=CC=CC=C1 PH011038 [0,0,1,0,0,0|2,0,0]=3 13 B13R1.674 C#CCNC(=O)C1=CC=CC=C1I CDS023359 [0,0,1,0,0,0|2,0,1]=4 14 B13R1.674 CC(NCCO)C1=CC=CC=C1O PH013724 [0,0,1,0,0,0|2,0,1]=4 15 B15R3.3 C1=CC2=C(C=C1)C3OCOCC3C2 R397474 [0,0,0,1,0,0|2,0,1]=4 16 B15R3.3 C1=CC=C2C(=C1)C[C@H]3[C@@H]2NCCO3 PH015990 [0,0,0,1,0,0|1,0,1]=3 17 B15R3.1248 N#CC1=CC2CC1C3=CC=CC=C23 T201014 [0,0,0,1,0,0|2,0,1]=4 18 B15R2.18471 CCCCC1NCCC2=C1C=CC=C2 PH014925 [0,0,0,0,0,1|1,0,2]=4 19 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [1,0,1,0,0,0|1,0,1]=4 20 B12R1.30 C#CCNC(C)C1=CC=CC=C1 CDS017603 [1,0,1,0,0,0|0,0,0]=2 21 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [1,0,1,0,0,0|1,0,1]=4 22 B12R1.8 C#CCCOCC1=CC=CC=C1 T269069 [1,0,1,0,0,0|1,0,0]=3 23 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,0,1,0,0,0|0,0,2]=4 24 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [1,0,1,0,0,0|0,0,1]=3 25 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [1,0,1,0,0,0|1,0,1]=4 26 B12R1.8 N#CCCCCC1=CC=CC=C1 PH002674 [1,0,1,0,0,0|1,0,0]=3 27 B12R1.8 N#CCCCOC1=CC=CC=C1 PH010897 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.8 N#CCCCSC1=CC=CC=C1 S620181 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.8 N#CCCOCC1=CC=CC=C1 ANV00259 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.8 N#CCCSCC1=CC=CC=C1 S614068 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.8 N#CCOCCC1=CC=CC=C1 S148911 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.121 CCC1=CC=CC=C1NCCO S361496 [1,0,1,0,0,0|1,0,1]=4 34 B12R2.1 NNC1CCC2=CC=CC=C12 PH019558 [2,0,0,0,0,0|1,0,0]=3 35 B14R1.171 CCOC(CCC#N)C1=CC=CC=C1 S348007 [0,1,1,0,0,0|2,0,0]=4 36 B14R2.2 O=C(O)CC1CCC2=CC=CC=C12 CDS007741 [1,1,0,0,0,0|1,0,1]=4 37 B16R2.179941 O=C(O)CNC1CCOC2=CC=CC=C12 PH018739 [0,1,0,0,0,1|1,0,1]=4 38 B14R2.1253 C1=CC=C(C=C1)C2CCCCCN2 CDS008961 [0,0,1,1,0,0|0,0,2]=4 39 B14R2.6 C1=CC=C(C=C1)CC2CNCCO2 CDS019174 [0,0,1,1,0,0|1,0,1]=4 40 B14R2.7150 N#CCN1CCCC2=C1C=CC=C2 S922544 [0,0,1,1,0,0|1,0,0]=3 41 B14R2.7150 NCCN1CCCC2=CC=CC=C12 CBR00962 [0,0,1,1,0,0|1,0,1]=4 42 B14R2.112 ClCCN1CCC2=C(C1)C=CC=C2 PH015384 [0,0,1,1,0,0|1,0,1]=4 43 B14R2.112 NCCN1CCC2=CC=CC=C2C1 CDS012639 [0,0,1,1,0,0|1,0,1]=4 44 B14R2.112 OCCN1CCC2=CC=CC=C2C1 CBR00381 [0,0,1,1,0,0|1,0,1]=4 45 B14R3.608 O=C1CC2CC1C3=C2C=CC=C3 T201596 [1,0,0,1,0,0|1,0,1]=4 46 B14R3.2531 C1=CC=C2C(=C1)C3CSCC2C3 T197777 [1,0,0,1,0,0|1,0,1]=4 47 B16R4.3084 N#CC12CC3C1C2C4=C3C=CC=C4 T214809 [0,0,0,2,0,0|2,0,0]=4