0 B15R2.1428 CCCOC1OC(=O)C2=C1C=CC=C2 S662968 [0,0,0,0,0,0|1,0,1]=2 1 B14R2.510 CCOC1OC(=O)C2=C1C=CC=C2 S663018 [1,0,0,0,0,0|1,0,1]=3 2 B14R2.510 CN/N=C/1\CC(=O)C2=C1C=CC=C2 R628085 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CDS000554 [0,0,1,0,0,0|0,0,2]=3 4 B14R1.38 O=C(OCCCCCl)C1=CC=CC=C1 S389447 [0,0,1,0,0,0|1,0,2]=4 5 B14R1.903 CCCCCC1=CC=CC=C1C(=O)O PH007500 [0,0,1,0,0,0|0,0,2]=3 6 B14R1.903 CCCCOC1=CC=CC=C1C(=O)N S381012 [0,0,1,0,0,0|2,0,1]=4 7 B16R3.20606 O=C1C2=C(C=CC=C2)C3=NCCCN13 S657662 [0,0,0,1,0,0|2,0,0]=3 8 B16R3.29373 O=C1OC2=C3C1=CC=CC3=C(C=C2)Br PH009640 [0,0,0,1,0,0|1,0,2]=4 9 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [1,0,1,0,0,0|1,0,1]=4 10 B13R1.24 CCCCOC(=O)C1=CC=CC=N1 S343129 [1,0,1,0,0,0|1,0,1]=4 11 B13R1.572 CCCOC1=C(C=CC=C1)C(=O)N PH011074 [1,0,1,0,0,0|2,0,0]=4 12 B13R1.572 CCCOC1=CC=CN=C1C(=O)O CDS000097 [1,0,1,0,0,0|2,0,0]=4 13 B13R1.572 CCCSC1=CC=CC=C1C(=O)N PH007181 [1,0,1,0,0,0|2,0,0]=4 14 B13R1.572 CCCSC1=CC=CC=C1C(=O)O L255165 [1,0,1,0,0,0|1,0,0]=3 15 B15R1.138 O=C(OCCCCCCl)C1=CC=CC=C1 S376876 [0,1,1,0,0,0|0,0,2]=4 16 B15R1.3965 CCCN/C=C/C(=O)C1=CC=CC=C1O PH008138 [0,1,1,0,0,0|2,0,0]=4 17 B15R1.559 CCCCOC1=CC=C(C=C1C(=O)O)Br L255823 [0,1,1,0,0,0|1,0,1]=4 18 B15R1.559 CCCCOC1=CC=C(C=C1C(=O)O)Cl L255777 [0,1,1,0,0,0|1,0,1]=4 19 B15R1.1191 CCCCCC1=CC=CC=C1C(=O)OC PH007532 [0,1,1,0,0,0|0,0,2]=4 20 B15R1.1274 CCOC(=O)CC1=C(C=CC=C1)C(=O)O PH008827 [0,1,1,0,0,0|1,0,1]=4 21 B15R1.1274 O=C(CCCl)NC1=C(C=CC=C1)C(=O)O R592978 [0,1,1,0,0,0|2,0,0]=4 22 B15R2.73 N1C=C(C2=C1C=CC=C2)C(=O)CCC S407003 [1,1,0,0,0,0|2,0,0]=4 23 B15R2.53147 CC(C)OC1OC(=O)C2=C1C=CC=C2 S662623 [1,1,0,0,0,0|1,0,1]=4 24 B15R2.53147 O=C(O)/C=C/1\OC(=O)C2=C1C=CC=C2 S449504 [1,1,0,0,0,0|1,0,1]=4 25 B17R2.49938 CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2 PH009841 [0,1,0,0,0,1|2,0,0]=4 26 B17R2.50010 CCNC(=S)C1=NNC(=O)C2=C1C=CC=C2 R552631 [0,1,0,0,0,1|2,0,0]=4 27 B17R2.50010 CCOC(=O)C1=NNC(=O)C2=CC=CC=C12 TMT00234 [0,1,0,0,0,1|2,0,0]=4 28 B17R2.1022756 CCCC(=O)N1C(=O)C(=O)C2=CC=CC=C12 R429465 [0,2,0,0,0,0|2,0,0]=4 29 B15R2.1259 O=C(OC1CCCC1)C2=CC=CC=C2 S709743 [0,0,1,1,0,0|0,0,2]=4 30 B15R2.1259 O=C(OC1CCCS1)C2=CC=CC=C2 T268348 [0,0,1,1,0,0|1,0,1]=4 31 B15R2.886 CCCC1=CC2=CC=CC=C2C(=O)O1 PH008570 [0,0,1,1,0,0|0,0,0]=2 32 B15R2.2220 CCCC1=C(C2=NC=CC=C2C=C1)O CDS025258 [0,0,1,1,0,0|2,0,0]=4 33 B15R3.173 O=C1C2=C(C=CC=C2)C3=NCCN13 S759112 [1,0,0,1,0,0|2,0,0]=4 34 B17R3.35227 O=C1C2=C(C=CC=C2)OC3=C1CCCC3 T165131 [0,0,0,1,0,1|1,0,1]=4 35 B17R3.35227 O=C1C2=CC=CC=C2C=C3N1CCCN3 PH008405 [0,0,0,1,0,1|2,0,0]=4 36 B17R3.35227 O=C1C2=CC=CC=C2N=C3N1CCCS3 PH008653 [0,0,0,1,0,1|2,0,0]=4 37 B15R1.83 CCCCCOC(=O)NC1=CC=CC=C1 S589993 [0,0,1,0,0,1|0,0,2]=4 38 B15R2.352 CCCCC1=NC2=C(C=CC=C2)C=C1 S825042 [1,0,0,0,0,1|1,0,1]=4 39 B15R2.352 CCCOC1=CC2=C(C=CC=C2)C=C1 S648051 [1,0,0,0,0,1|2,0,0]=4