0 B12R1.8 CCCCOCC1=CC=CC=C1 D88615 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.8 CNCCOCC1=CC=CC=C1 C78388 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.8 ClCCCOCC1=CC=CC=C1 20539 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.8 N#CCCNCC1=CN=CC=C1 W10004 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.8 OCCCNCC1=NC=CC=C1 C78406 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.28 CCCC#CC1=CC=CC=C1 D73344 [1,0,0,0,0,0|0,0,2]=3 6 B11R1.28 CCCCNC1=CC=CC=C1 D88676 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.28 CNCCOC1=CC=CC=C1 H11358 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.28 ClCCOCC1=CC=CC=C1 N12052 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.28 N#CCCCC1=CC=CC=C1 D92056 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.28 NCCCCC1=CC=CC=C1 D88453 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.28 OCCSCC1=CC=CC=C1 D89046 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.6 CC1=CC=CC(CNCCCBr)=C1 VT1408 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.6 CCCCCCC1=CC=CC(Br)=C1 D89052 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.9 CCCCCCC1=CC=C(I)C=C1 D76098 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.9 CCCCCC[N+]1=CC=C(C)C=C1 C16740 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.9 CCCCCOC1=CC=C(Br)C=C1 F13654 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.9 CCCCCOC1=CC=C(O)C=C1 D84211 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.9 CNCCCOC1=CC=C(Br)C=C1 N11493 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.9 CNCCCOC1=CC=C(Cl)C=C1 N10284 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.9 COCCCOC1=CC=C(Br)C=C1 75187 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.9 COCCOCC1=CC=C(Br)C=C1 N11574 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.9 ClC1=CC=C(CNCCCBr)C=C1 AC8585 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.9 NC1=CC=C(CCNCCO)C=C1 D88244 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.24 CCCCSC(=O)C1=CC=CC=C1 D88730 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.28 CCCCCCCC1=CC=CC=C1 F21475 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 F21164 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 D77832 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.44 CCCCC(=O)CC1=CC=CC=C1 D88735 [0,1,0,0,0,0|1,0,1]=3 29 B13R1.337 CC(C)CCOCC1=CC=CC=C1 D91076 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.337 CN(C)CCNCC1=CC=CC=C1 A10455 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.555 COCCCOC1=C(Br)C=CC=C1 N10243 [0,1,0,0,0,0|3,0,0]=4 32 B11R0.3 CCCCCC\C=C/C=C\CO D92768 [0,0,1,0,0,0|2,0,1]=4 33 B13R2.3 C1=CC=C(N2CCCCC2)C=C1 AC7935 [0,0,0,1,0,0|2,0,0]=3 34 B13R2.3 C1=CC=C([C@@H]2CCOCO2)C=C1 D91917 [0,0,0,1,0,0|1,0,0]=2 35 B13R2.64 C1=CC=C(CC2OCCO2)C=C1 D88802 [0,0,0,1,0,0|1,0,0]=2 36 B13R2.64 C1=CC=C(NC2CCCC2)C=C1 W12607 [0,0,0,1,0,0|2,0,0]=3 37 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 C78571 [0,0,0,1,0,0|2,0,0]=3 38 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 D85489 [0,0,0,1,0,0|1,0,2]=4 39 B10R0.71 C=C\C=C\C=C\CCCCC D92769 [1,0,1,0,0,0|0,0,0]=2 40 B10R0.71 CCCCC\C=C\C=C\CO D89948 [1,0,1,0,0,0|1,0,1]=4 41 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [2,0,0,0,0,0|0,0,2]=4 42 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [2,0,0,0,0,0|0,0,2]=4 43 B10R1.17 COCCC1=NC=CC=C1 D91306 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 OCCNC1=CC=NC=C1 AT18123 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.1 CC1=CC=C(OCCCN)C=C1 AC6263 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.1 CNCCOC1=CC=C(N)C=C1 C78105 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.1 ClCCCSC1=CC=C(Br)C=C1 71101 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.1 OCCCCC1=CC=C(Br)C=C1 F13982 [1,1,0,0,0,0|0,0,0]=2 49 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 D77610 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.27 NC[C@H](O)COC1=CC=CC=C1 76907 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.28 COCCOC1=CC(N)=CC=C1 C14172 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.28 OCCCOC1=CC=CC(F)=C1 AC7865 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.30 CCCCC(=O)C1=CN=CC=C1 N12060 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.30 CCCC[C@H](N)C1=CC=CN=C1 N11978 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 D89432 [1,1,0,0,0,0|0,0,0]=2 56 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 D92069 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.30 O=C(NCCO)C1=CC=CC=C1 V10315 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.32 CN(CCCl)CC1=CC=CC=C1 30794 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB10382 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.252 CC(=O)CSCC1=CC=CC=C1 D85829 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.252 O=C(O)CCCC1=CC=NC=C1 C16278 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.252 O=C(O)CSCC1=CC=CC=C1 52680 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.267 CC1=C(OCCCBr)C=CC=C1 N10162 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.267 NCCCOC1=C(Cl)C=CC=C1 AC6262 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.267 NCCCOC1=C(F)C=CC=C1 D77612 [1,1,0,0,0,0|2,0,0]=4 66 B14R1.14 CCCCCCCC1=CC=C(N)C=C1 D90911 [0,2,0,0,0,0|1,0,0]=3 67 B14R1.14 CCCCCCOC1=CC=C(I)C=C1 E10185 [0,2,0,0,0,0|1,0,0]=3 68 B14R1.19 CCCCCC(=O)C1=CC=C(N)C=C1 D88501 [0,2,0,0,0,0|1,0,1]=4 69 B14R1.19 CCCCCC(=O)C1=CC=C(O)C=C1 D90970 [0,2,0,0,0,0|1,0,1]=4 70 B14R1.123 OCCCCCNCC1=CC=CC=C1 D89016 [0,2,0,0,0,0|0,0,0]=2 71 B14R1.422 O=C(O)CCCCOC1=CC=CC=C1 T72870 [0,2,0,0,0,0|0,0,1]=3 72 B14R1.756 C[C@H](OCC1=CC=CC=C1)[C@@H](N)CO C14971 [0,2,0,0,0,0|1,0,0]=3 73 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 62360 [0,2,0,0,0,0|0,0,1]=3 74 B14R1.292 CC(C)(CO)COCC1=CC=CC=C1 91940 [0,2,0,0,0,0|1,0,0]=3 75 B12R2.2 C1=CN=C(C2OCCO2)C=C1 D87449 [1,0,0,1,0,0|2,0,0]=4 76 B12R2.2 C1=CN=C(N2CCCC2)C=C1 N10252 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 AR1064 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 W18555 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 T72863 [1,0,0,1,0,0|1,0,0]=3 80 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 AC4955 [1,0,0,1,0,0|2,0,0]=4 81 B14R2.21 ClC1=CC(C2CCNCC2)=CC=C1 58247 [0,1,0,1,0,0|2,0,0]=4 82 B14R2.21 ClC1=CC([C@@H]2CCCCN2)=CC=C1 N12486 [0,1,0,1,0,0|1,0,0]=3 83 B14R2.21 ClC1=CC([C@@H]2CNCCN2)=CC=C1 25366 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.21 OC1=CC(C2CCNCC2)=CC=C1 F13512 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.9061 BrC1=CC(CNCC2CC2)=CC=C1 C77707 [0,1,0,1,0,0|2,0,0]=4 86 B14R2.9061 FC1=CC(CNCC2CC2)=CC=C1 C77709 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.68 BrC1=CC=C(C2CCNCC2)C=C1 VT1411 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.68 CC1=CC=C(C2SCCCS2)C=C1 D95445 [0,1,0,1,0,0|1,1,0]=4 89 B14R2.68 FC1=CC=C([C@@H]2CCCCN2)C=C1 N12329 [0,1,0,1,0,0|1,0,0]=3 90 B14R2.68 NC1CCN(C2=CC=CC=C2)CC1 75228 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.72 NC1=CC=C(CN2CCCC2)C=C1 59929 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.72 NC1=CC=C(CN2CCCC2)C=C1 AC7019 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.72 NC1=CC=C(CN2CCCC2)C=C1 N10460 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.951 ClC1=CC=C(CNCC2CC2)C=C1 C77706 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.951 FC1=CC=C(CNCC2CC2)C=C1 C77710 [0,1,0,1,0,0|2,0,0]=4 96 B14R2.5637 O=C1CCCCC2=C1C=C(F)C=C2 N12303 [0,1,0,1,0,0|0,0,2]=4 97 B14R2.8 OC[C@H]1CCN(C2=CC=CC=C2)C1 AC7500 [0,1,0,1,0,0|1,0,0]=3 98 B14R2.114 O[C@H](C1=CC=CC=C1)C2CCCC2 44485 [0,1,0,1,0,0|1,0,0]=3 99 B14R2.5540 C[C@@]1(C2=CC=CC=C2)CNCCO1 F19111 [0,1,0,1,0,0|1,0,0]=3 100 B14R2.6 C1=CC=C(C[C@H]2CCCNC2)C=C1 AR1511 [0,1,0,1,0,0|1,0,0]=3 101 B14R2.6 C1=CC=C(C[C@H]2CNCCN2)C=C1 56137 [0,1,0,1,0,0|1,0,0]=3 102 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 C80057 [0,1,0,1,0,0|0,0,0]=2 103 B14R2.6 C1=CC=C(O[C@@H]2CCCCO2)C=C1 D92028 [0,1,0,1,0,0|0,0,0]=2 104 B14R2.6 C1=CN=C(CN2CCCCC2)C=C1 D77833 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.24 ClC1=C([C@@H]2CSCCN2)C=CC=C1 22014 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.101 C1=CC=C(CNC2CCCC2)C=C1 C77921 [0,1,0,1,0,0|1,0,0]=3 107 B14R2.101 C1=CC=C(CO[C@H]2CCNC2)C=C1 52921 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 AC7512 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.2 O=C(O)CN1CCC2=C1C=CC=C2 71238 [0,1,0,1,0,0|1,0,1]=4 110 B14R2.4622 ClC1=C(CNCC2CC2)C=CC=C1 C77705 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.21 CCCCCC1=CSC=C1 S12032 [1,0,0,0,1,0|1,0,0]=3