0 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 C73219 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 C76320 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.17 CC1=CC=C(C(=O)OCCO)C=C1 A11170 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 C80025 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 I11490 [1,0,0,0,0,0|1,0,0]=2 5 B15R1.30 CCCCNNC(=O)C1=CC=C(Br)C=C1 N10903 [0,1,0,0,0,0|2,0,0]=3 6 B15R1.101 CCCCC[C@H](CC)C1=CC=C(O)C=C1 D86643 [0,1,0,0,0,0|2,0,1]=4 7 B15R1.132 O=C(NC[C@H](O)CO)C1=CC=C(O)C=C1 A12067 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.1 CCCCCC1=CC=C(F)C=C1 A11207 [2,0,0,0,0,0|1,0,1]=4 9 B12R1.1 CCCCOC1=CN=C(Br)C=C1 A12893 [2,0,0,0,0,0|2,0,0]=4 10 B12R1.1 COCCOC1=CC=C(O)C=C1 27038 [2,0,0,0,0,0|1,0,0]=3 11 B12R1.1 FC1=CC=C(OCCCCl)C=C1 D77782 [2,0,0,0,0,0|2,0,0]=4 12 B12R1.1 NCCCCC1=CC=C(O)C=C1 P16850 [2,0,0,0,0,0|1,0,1]=4 13 B12R1.1 OCCCOC1=CC=C(Br)C=C1 88164 [2,0,0,0,0,0|2,0,0]=4 14 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [2,0,0,0,0,0|1,0,1]=4 16 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.16 CCCC(=O)C1=CN=C(Cl)C=C1 N14275 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 D77688 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.16 CCOC(=O)C1=CC=[N+]([O-])C=C1 AB21610 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.16 CCOC(=O)C1=CN=C(F)C=C1 88966 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 C72155 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 D86980 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 D76871 [2,0,0,0,0,0|0,0,2]=4 25 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 T71019 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.30 NCCNC(=O)C1=CC=CC=C1 F20112 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.30 O=C(CCCO)C1=CN=CC=C1 W11994 [2,0,0,0,0,0|2,0,0]=4 28 B14R1.125 CCCCS(=O)(=O)C1=CC=C(N)C=C1 S11425 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.678 CC1=CC=C(C(=O)CCN(C)C)C=C1 30691 [1,1,0,0,0,0|2,0,0]=4 30 B14R1.678 CN(C)CCC(=O)C1=CC=C(Cl)C=C1 30440 [1,1,0,0,0,0|2,0,0]=4 31 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 75642 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.678 O=C(O)CCC(=O)C1=CC=C(O)C=C1 F31366 [1,1,0,0,0,0|1,0,1]=4 33 B14R1.941 CCCCC(=O)C1=CC(O)=C(O)C=C1 C74309 [1,1,0,0,0,0|0,0,0]=2 34 B14R1.2523 O=C(CCCCl)C1=C(F)C=C(F)C=C1 W11533 [1,1,0,0,0,0|2,0,0]=4 35 B14R1.163 O=C(OC[C@@H](O)CO)C1=CC=CC=C1 C74734 [1,1,0,0,0,0|1,0,0]=3 36 B16R1.4231 CCC[C@H](C)NC(=O)C1=CC(Cl)=C(Cl)C=C1 70754 [0,2,0,0,0,0|2,0,0]=4 37 B16R1.1713 C=CCCOC(=O)C1=CC=C(C(=O)O)C=C1 A11403 [0,2,0,0,0,0|0,0,2]=4 38 B14R2.933 O=C(CC1CC1)C2=CC=C(Cl)C=C2 W12948 [1,0,0,1,0,0|1,0,0]=3 39 B14R2.8719 CC1=CC2=C(C=C1)C(=O)CCCO2 N12946 [1,0,0,1,0,0|2,0,0]=4 40 B14R2.8719 O=C1CCCCC2=C1C=CC(Cl)=C2 F13419 [1,0,0,1,0,0|1,0,0]=3 41 B14R2.8719 O=C1CCCOC2=C1C=CC(Cl)=C2 N12848 [1,0,0,1,0,0|2,0,0]=4 42 B14R2.10606 NC1=CC=C(C(=O)C2CCC2)C=C1 33487 [1,0,0,1,0,0|1,0,0]=3 43 B14R2.10606 O=C(C1=CC=C(Br)C=C1)C2CNC2 P14142 [1,0,0,1,0,0|2,0,0]=4 44 B16R2.120 O=C(C1=CC=C(O)C=C1)N2CCOCC2 F30158 [0,1,0,1,0,0|1,0,0]=3 45 B16R2.319 NC1=CC(F)=C(C(=O)N2CCCC2)C=C1 AB10081 [0,1,0,1,0,0|2,0,0]=4 46 B16R3.97863 O=C1NC2CC(C2)C3=C1C=CC(Br)=C3 58097 [0,0,0,2,0,0|2,0,0]=4