0 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [1,0,0,0,0,0|1,0,2]=4 1 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 S561045 [1,0,0,0,0,0|0,0,1]=2 2 B13R1.45 CC(C)CNC(=O)C1=CC=CC=C1 R531251 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 VBP00025 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.45 CN(C)/C=C/C(=O)C1=CC=CN=C1 CBR02127 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.45 CN(C)/C=C/C(=O)C1=CC=NC=C1 CBR02130 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 S447862 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 R156043 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.45 CN(C)CNC(=O)C1=CC=CC=C1 PH008934 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.45 C[N+](=C/C=C(\Cl)/C1=CC=CC=C1)C S638773 [1,0,0,0,0,0|2,0,1]=4 10 B15R2.6 CC(C)CNC1=C2C=CC=CC2=NS1 PH007433 [0,0,0,1,0,0|3,0,0]=4 11 B13R1.713 CN(C)/C=C(\C#N)/C1=CC=CC=C1 L166871 [0,0,0,0,1,0|2,0,1]=4 12 B12R1.3 CCCN(N=O)C1=CC=CC=C1 PH007170 [2,0,0,0,0,0|2,0,0]=4 13 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [2,0,0,0,0,0|1,0,0]=3 14 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [2,0,0,0,0,0|1,0,1]=4 15 B12R1.30 CN/C=C/C(=O)C1=CC=CC=C1 S732370 [2,0,0,0,0,0|1,0,1]=4 16 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S412244 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S445061 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [2,0,0,0,0,0|0,0,2]=4 22 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.252 CC(O)C/N=C/C1=CC=CC=C1 PH009580 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [2,0,0,0,0,0|1,0,0]=3 26 B14R1.149 CC(C)CNC(=O)C1=CC(=CC=C1)Cl R463310 [1,1,0,0,0,0|1,0,0]=3 27 B14R1.149 CN(C)CCC(=O)C1=CC=CC(=C1)F PH014108 [1,1,0,0,0,0|1,0,1]=4 28 B14R1.149 CN(C)CCC(=O)C1=CC=CC(=C1)O PH012110 [1,1,0,0,0,0|1,0,1]=4 29 B14R1.160 CC(C)CNC(=O)C1=C(C=CC=C1)Br R573930 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.160 CC(C)CNC(=O)C1=C(C=CC=C1)Cl R703877 [1,1,0,0,0,0|1,0,0]=3 31 B14R1.160 CC(O)COC(=O)C1=CC=CC=C1O S680656 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.160 CN(C)/C=C/C(=O)C1=C(C=CC=C1)O PH005179 [1,1,0,0,0,0|1,0,1]=4 33 B14R1.415 C/C(=C\C(=O)C1=CC=CC=C1)/N(C)C KOB0015 [1,1,0,0,0,0|1,0,1]=4 34 B14R1.415 CC(C)N(C)CC(=O)C1=CC=CC=C1 PH012133 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.415 CC(Cl)C(C)NC(=O)C1=CC=CC=C1 R738840 [1,1,0,0,0,0|2,0,0]=4 36 B14R1.415 C[C@H](Br)[C@H](C)OC(=O)C1=CC=CC=C1 T282758 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S346667 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S365831 [1,1,0,0,0,0|1,0,1]=4 39 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)N S520608 [1,1,0,0,0,0|1,0,0]=3 40 B14R1.678 CC1=CC=C(C=C1)C(=O)CCN(C)C S935220 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(C)C R591424 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.3098 CC(C)(C)ONC(=O)C1=CC=CC=C1 S283754 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.3098 CC(C)([NH3+])COC(=O)C1=CC=CC=C1 L498602 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.6455 CC(C)CC(C(=O)O)C1=CC=CC=C1 S316083 [0,1,0,0,1,0|0,0,1]=3 45 B16R1.18212 CC(=O)NN(CCC(C)C)C1=CC=CC=C1 PH007158 [0,2,0,0,0,0|1,0,1]=4 46 B16R1.7421 CC1=CC=CC=C1C(CCC(C)C)C(=O)O S382396 [0,2,0,0,0,0|0,0,2]=4 47 B14R2.1253 C1=CC=C(C=C1)C2=CCCCCC2 S39382 [1,0,0,1,0,0|1,0,1]=4 48 B14R2.2850 C(=O)C(C1=CC=CC=C1)C2CCC2 T289302 [1,0,0,1,0,0|0,0,2]=4 49 B14R2.4514 CC1CNN(C1=O)C2=CC=CC=C2 L203815 [1,0,0,1,0,0|2,0,0]=4 50 B14R2.598 CC1CC(=O)N(N1)C2=CC=CC=C2 PH002036 [0,0,0,1,1,0|2,0,0]=4 51 B14R2.598 NC1CC(=O)N(C1)C2=CC=CC=C2 CDS011738 [0,0,0,1,1,0|2,0,0]=4 52 B16R2.312 CC1CC/C(=C/C2=CC=CC=C2)/C(=O)C1 S846295 [0,0,0,1,0,1|0,0,1]=3 53 B16R2.477 CC(C)COC1=CC2=C(C=CC=C2)C=C1 T330949 [0,0,0,1,0,1|2,0,0]=4 54 B16R2.520 CN(C)CC(=O)C1=CNC2=C1C=CC=C2 R429376 [0,1,0,1,0,0|2,0,0]=4 55 B16R2.26134 CC1(NC(=O)N(C1=O)C2=CC=CC=C2)C PH001048 [0,1,0,1,0,0|2,0,0]=4 56 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [1,0,0,0,1,0|0,0,1]=3 57 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [1,0,0,0,1,0|0,0,0]=2 58 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 CBR01334 [1,0,0,0,1,0|1,0,0]=3 59 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [1,0,0,0,1,0|1,0,0]=3 60 B12R1.478 CC(C)/C(=N\O)/C1=CC=CC=C1 PH010705 [0,0,0,0,2,0|1,0,1]=4 61 B14R1.423 CC(C)CNC(=O)NC1=CC=CC=C1 S643807 [1,0,0,0,0,1|1,0,0]=3 62 B14R1.423 CC(O)CNC(=O)NC1=CC=CC=C1 S609374 [1,0,0,0,0,1|2,0,0]=4 63 B14R1.549 CN(C)/C=C(\C=O)/OC1=CC=CC=C1 PH000279 [0,0,0,0,1,1|1,0,0]=3