0 B14R2.24 BrC1CCCCC1[N+]2=CC=CC=C2 R788252 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.24 Br[C@H]1CCCCC1[N+]2=CC=CC=C2 L497991 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.24 CN1CCNCC1C2=CC=CC=C2 CBR00615 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.24 ClC1COCOC1C2=CC=CC=C2 PH007709 [0,0,0,0,0,0|3,0,0]=3 4 B14R2.24 NC1CCCCC1C2=CC=CC=C2 PH012427 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.24 NC1COCOC1C2=CC=CC=C2 PH013665 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.24 NC1COCOC1C2=CC=CC=C2 PH018963 [0,0,0,0,0,0|3,0,0]=3 7 B14R2.24 O=S1CCCSC1C2=CC=CC=C2 S863238 [0,0,0,0,0,0|3,1,0]=4 8 B14R2.24 OC1CCCCC1C2=CC=CC=C2 S456764 [0,0,0,0,0,0|3,0,0]=3 9 B14R2.24 OC1CCCCC1C2=CC=CC=C2 S459771 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.3 C1=CC(=CN=C1)C2CNCCS2 PH014942 [1,0,0,0,0,0|1,1,0]=3 11 B13R2.3 C1=CC=C(C=C1)C2CC=CCC2 CDS000056 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 CDS006181 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.3 C1=CC=C(C=C1)C2COCCN2 CDS019264 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.3 C1=CC=C(C=C1)C2CSCCN2 CDS010247 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.3 C1=CC=C(C=C1)N2CCCNC2 PH012041 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.3 C1=CC=C(N=C1)C2CCCCN2 CBR02282 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.3 [SiH]1(CCCCC1)C2=CC=CC=C2 S830259 [1,0,0,0,0,0|2,1,0]=4 18 B15R2.21 CNC1CCCOC1C2=CC=CC=C2 PH008044 [0,1,0,0,0,0|1,0,0]=2 19 B15R2.32 CC1C(CCCN1C)C2=CC=CC=C2 PH012549 [0,1,0,0,0,0|1,0,0]=2 20 B15R2.308 N[C@@H]1CCCC[C@@H]1C2=CC=C(C=C2)F PH018628 [0,1,0,0,0,0|3,0,0]=4 21 B15R2.308 O=C1NCCSC1C2=CC=C(C=C2)Cl R299693 [0,1,0,0,0,0|1,1,1]=4 22 B15R2.332 O=C1NCCNC1C2=CC=CC(=C2)F CBR00459 [0,1,0,0,0,0|2,0,1]=4 23 B15R2.367 CC1=NCCCC1(O)C2=CC=CC=C2 PH013006 [0,1,0,0,0,0|1,0,2]=4 24 B15R2.367 CC1NCCCC1(O)C2=CC=CC=C2 PH012573 [0,1,0,0,0,0|1,0,0]=2 25 B15R2.541 CC1CCCN(C1C2=CC=CC=C2)C PH012522 [0,1,0,0,0,0|2,0,0]=3 26 B15R2.541 CN1CCCC(=O)C1C2=CC=CC=C2 PH012540 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.26 ClCCNC(CCl)C1=CC=CC=C1 PH012048 [0,0,1,0,0,0|3,0,0]=4 28 B13R1.28 C#CCCCOCC1=CC=CC=C1 T286494 [0,0,1,0,0,0|1,0,2]=4 29 B13R1.28 CCCCC/N=C\C1=CC=CC=C1 PH008433 [0,0,1,0,0,0|2,0,1]=4 30 B13R1.28 ClCCCCCCC1=CC=CC=C1 PH000050 [0,0,1,0,0,0|3,0,0]=4 31 B13R1.28 NCCCCNCC1=CC=CC=C1 PH010300 [0,0,1,0,0,0|3,0,0]=4 32 B13R1.28 O=CNCCCCC1=CC=CC=C1 PH000636 [0,0,1,0,0,0|2,0,1]=4 33 B13R1.28 OC/C=C/COCC1=CC=CC=C1 T274372 [0,0,1,0,0,0|2,0,1]=4 34 B13R1.28 OCCCCNCC1=CC=CC=C1 CDS000390 [0,0,1,0,0,0|3,0,0]=4 35 B13R1.44 CCCCC(O)CC1=CC=CC=C1 S782025 [0,0,1,0,0,0|3,0,0]=4 36 B13R1.44 CN(CCCCl)CC1=CC=CC=C1 S427357 [0,0,1,0,0,0|3,0,0]=4 37 B13R1.44 CN(CCCN)CC1=CC=CC=C1 OTV000381 [0,0,1,0,0,0|3,0,0]=4 38 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [0,0,1,0,0,0|1,0,1]=3 39 B13R1.44 O=C(NCCO)NC1=CC=CC=C1 S556297 [0,0,1,0,0,0|2,0,1]=4 40 B13R1.44 OCCNC(=S)NC1=CC=CC=C1 S531359 [0,0,1,0,0,0|2,0,1]=4 41 B13R1.47 CCCC(C)C(O)C1=CC=CC=C1 CDS018099 [0,0,1,0,0,0|1,0,0]=2 42 B13R1.405 CCCC(C(=O)C)C1=CC=CC=C1 PH001357 [0,0,1,0,0,0|2,0,1]=4 43 B13R1.532 CCC(C)C(C#N)C1=CC=CC=C1 S381632 [0,0,1,0,0,0|3,0,0]=4 44 B13R1.532 CCC(C)C(CO)C1=CC=CC=C1 S377643 [0,0,1,0,0,0|3,0,0]=4 45 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S316024 [0,0,1,0,0,0|3,0,0]=4 46 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S332879 [0,0,1,0,0,0|3,0,0]=4 47 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S494003 [0,0,1,0,0,0|3,0,0]=4 48 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S494607 [0,0,1,0,0,0|3,0,0]=4 49 B13R1.532 COC(=O)C(OC)C1=CC=CC=C1 PH002076 [0,0,1,0,0,0|2,0,1]=4 50 B13R1.532 COC(=O)[C@@H](OC)C1=CC=CC=C1 PH001769 [0,0,1,0,0,0|2,0,1]=4 51 B15R3.3 C1=CC2=C(C=C1)C3OCOCC3C2 R397474 [0,0,0,1,0,0|2,0,0]=3 52 B15R3.3 C1=CC=C2C(=C1)C[C@H]3[C@@H]2NCCO3 PH015990 [0,0,0,1,0,0|2,0,0]=3 53 B15R3.2013 CC1=CC2CCC1C3=CC=CC=C23 T196606 [0,0,0,1,0,0|2,0,1]=4 54 B15R3.4209 C1=CC=C(C=C1)C2=CC3CCC2C3 S449326 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.15 CC1NCCC1C2=CC=CC=C2 PH012643 [0,0,0,0,1,0|0,0,0]=1 56 B13R2.15 CN1CCOC1C2=CC=CC=C2 T152714 [0,0,0,0,1,0|1,0,0]=2 57 B13R2.15 NN1CCCC1C2=CC=CC=C2 PH011021 [0,0,0,0,1,0|3,0,0]=4 58 B13R2.15 N[C@H]1CCC[C@@H]1C2=CC=CC=C2 PH018837 [0,0,0,0,1,0|2,0,0]=3 59 B13R2.15 O=C1NCCC1C2=CC=CC=C2 PH002073 [0,0,0,0,1,0|1,0,1]=3 60 B13R2.15 S=C1NCCN1C2=CC=CC=C2 PH007818 [0,0,0,0,1,0|2,0,1]=4 61 B15R2.38 CC1=CCCCC1OC2=CC=CC=C2 T180092 [0,0,0,0,0,1|2,0,1]=4 62 B15R2.38 NC1CCCCC1OC2=CC=CC=C2 PH013023 [0,0,0,0,0,1|3,0,0]=4 63 B15R2.38 OC1CCCCC1OC2=CC=CC=C2 PH010137 [0,0,0,0,0,1|3,0,0]=4 64 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [1,0,1,0,0,0|2,0,0]=4 65 B12R1.3 COC(CCCl)C1=CC=CC=C1 S352489 [1,0,1,0,0,0|2,0,0]=4 66 B12R1.3 OCCC(CO)C1=CC=CC=C1 PH007446 [1,0,1,0,0,0|2,0,0]=4 67 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [1,0,1,0,0,0|1,0,0]=3 68 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,0,1,0,0,0|1,0,0]=3 69 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [1,0,1,0,0,0|2,0,0]=4 70 B12R1.8 C#CCCOCC1=CC=CC=C1 T269069 [1,0,1,0,0,0|0,0,2]=4 71 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [1,0,1,0,0,0|1,0,0]=3 72 B12R1.8 CCCCCOC1=CN=CC=C1 S417505 [1,0,1,0,0,0|2,0,0]=4 73 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [1,0,1,0,0,0|1,0,1]=4 74 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,0,1,0,0,0|1,0,0]=3 75 B12R1.8 CCCNCCC1=NC=CC=C1 VBP00004 [1,0,1,0,0,0|2,0,0]=4 76 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [1,0,1,0,0,0|0,0,0]=2 77 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [1,0,1,0,0,0|0,0,0]=2 78 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [1,0,1,0,0,0|1,0,0]=3 79 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [1,0,1,0,0,0|1,0,0]=3 80 B12R1.8 N#CCCOCC1=CC=CC=C1 ANV00259 [1,0,1,0,0,0|1,0,1]=4 81 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [1,0,1,0,0,0|2,0,0]=4 82 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [1,0,1,0,0,0|2,0,0]=4 83 B12R1.8 OCCCSCC1=CC=CC=C1 T166324 [1,0,1,0,0,0|1,1,0]=4 84 B12R1.8 OCCSCCC1=NC=CC=C1 PH011432 [1,0,1,0,0,0|2,0,0]=4 85 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [1,0,1,0,0,0|2,0,0]=4 86 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [1,0,1,0,0,0|2,0,0]=4 87 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [1,0,1,0,0,0|1,0,1]=4 88 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [1,0,1,0,0,0|2,0,0]=4 89 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [1,0,1,0,0,0|2,0,0]=4 90 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [1,0,1,0,0,0|2,0,0]=4 91 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [1,0,1,0,0,0|2,0,0]=4 92 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [1,0,1,0,0,0|2,0,0]=4 93 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [1,0,1,0,0,0|1,0,1]=4 94 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [1,0,1,0,0,0|0,0,0]=2 95 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [1,0,1,0,0,0|2,0,0]=4 96 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [1,0,1,0,0,0|2,0,0]=4 97 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [1,0,1,0,0,0|2,0,0]=4 98 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [1,0,1,0,0,0|1,0,0]=3 99 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [1,0,1,0,0,0|1,0,0]=3 100 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [1,0,1,0,0,0|1,0,0]=3 101 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [1,0,1,0,0,0|1,0,0]=3 102 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 S380946 [1,0,1,0,0,0|2,0,0]=4 103 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [1,0,1,0,0,0|1,0,1]=4 104 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [1,0,1,0,0,0|1,0,1]=4 105 B14R1.14 CCCCCCCC1=CC=C(C=C1)O CDS000684 [0,1,1,0,0,0|2,0,0]=4 106 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CDS000554 [0,1,1,0,0,0|1,0,1]=4 107 B14R1.123 CCCCCCOCC1=CC=CC=C1 S630160 [0,1,1,0,0,0|1,0,0]=3 108 B14R1.123 OCCCCCCCC1=CC=CC=C1 PH010503 [0,1,1,0,0,0|2,0,0]=4 109 B14R1.156 CCNCC(=O)NCC1=CC=CC=C1 PH014806 [0,1,1,0,0,0|1,0,1]=4 110 B14R1.422 CC(O)CCCCCC1=CC=CC=C1 PH008491 [0,1,1,0,0,0|2,0,0]=4 111 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 PH011057 [0,1,1,0,0,0|2,0,0]=4 112 B14R1.166 CC(NCCO)C(O)C1=CC=CC=C1 S372609 [0,1,1,0,0,0|0,0,0]=2 113 B14R1.743 CC(CO)NC(=O)CC1=CC=CC=C1 PH010622 [0,1,1,0,0,0|1,0,1]=4 114 B14R1.743 C[C@H](CC1=CC=CC=C1)NC(=O)CCl PH008164 [0,1,1,0,0,0|1,0,1]=4 115 B14R1.6455 CC(=O)OC(C1=CC=CC=C1)C(C)C S495425 [0,1,1,0,0,0|1,0,1]=4 116 B14R2.21 CC1=CC=CC(=C1)C2CCCNC2 CBR01260 [1,1,0,0,0,0|1,0,0]=3 117 B14R2.21 NC1=CC=CC(=C1)C2OCCCO2 TMT00020 [1,1,0,0,0,0|2,0,0]=4 118 B14R2.21 OC1=CC=CC(=C1)C2OCCCO2 TMT00070 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.68 BrC1=CC=C(C=C1)C2CCCCC2 S288748 [1,1,0,0,0,0|2,0,0]=4 120 B14R2.68 ClC1=CC=C(C=C1)C2CCCNC2 CBR00403 [1,1,0,0,0,0|1,0,0]=3 121 B14R2.68 FC1=CC=C(C=C1)C2COCCN2 CDS010500 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.68 NC1=CC=C(C=C1)C2CCCCC2 PH000034 [1,1,0,0,0,0|2,0,0]=4 123 B14R2.5540 CC1(CCOCO1)C2=CC=CC=C2 S669628 [1,1,0,0,0,0|2,0,0]=4 124 B14R2.269 CN1CCOC1C2=CC=CC(=C2)Cl T152730 [0,1,0,0,1,0|1,0,0]=3 125 B14R2.277 CC1CCC(=O)N1C2=CC=CC=C2 PH009065 [0,1,0,0,1,0|2,0,0]=4 126 B14R2.296 CN1CCOC1C2=C(C=CC=C2)Cl T152722 [0,1,0,0,1,0|1,0,0]=3 127 B14R2.317 CC1NCCC1(O)C2=CC=CC=C2 PH012642 [0,1,0,0,1,0|0,0,0]=2 128 B14R2.317 C[C@@H]1CCC[C@@]1(C)C2=CC=CC=C2 T236691 [0,1,0,0,1,0|1,0,0]=3 129 B14R2.317 C[C@H]1CCC[C@@]1(C)C2=CC=CC=C2 T236705 [0,1,0,0,1,0|1,0,0]=3 130 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [0,1,0,0,1,0|0,0,1]=3 131 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 PH000361 [0,1,0,0,1,0|0,0,1]=3 132 B14R2.926 CC1=CC=C(C=C1)C2OCCN2C T152749 [0,1,0,0,1,0|1,0,0]=3 133 B14R2.926 N[C@@H]1CCC[C@@H]1C2=CC=C(C=C2)F PH018588 [0,1,0,0,1,0|2,0,0]=4 134 B14R2.4514 CC1C(=CCN1C)C2=CC=CC=C2 PH012736 [0,1,0,0,1,0|0,0,2]=4 135 B16R2.87 CN(C)C1CCCCC1C2=CC=CC=C2 T156957 [0,2,0,0,0,0|2,0,0]=4 136 B16R2.257 CN1CCCC(C1(C)C)C2=CC=CC=C2 PH012550 [0,2,0,0,0,0|1,0,0]=3 137 B16R2.14401 CC1N(CCCC1(O)C2=CC=CC=C2)C PH007305 [0,2,0,0,0,0|1,0,0]=3 138 B16R2.14401 CC1N(CCOC1(O)C2=CC=CC=C2)C PH012558 [0,2,0,0,0,0|0,0,0]=2 139 B16R2.8066 CNC1(CCCCC1C)C2=CC=CC=C2 PH012527 [0,2,0,0,0,0|2,0,0]=4 140 B14R2.8 CCC1OCC(O1)C2=CC=CC=C2 S941239 [0,0,1,1,0,0|2,0,0]=4 141 B14R2.8 ClCC1CNC(O1)C2=CC=CC=C2 S344389 [0,0,1,1,0,0|2,0,0]=4 142 B14R2.8 NCC1CCN(C1)C2=CC=CC=C2 CDS010126 [0,0,1,1,0,0|2,0,0]=4 143 B14R2.1253 C1=CC=C(C=C1)C2CCCCCC2 PH002737 [0,0,1,1,0,0|2,0,0]=4 144 B14R2.1253 C1=CC=C(C=C1)C2CCCCCN2 CDS008961 [0,0,1,1,0,0|2,0,0]=4 145 B14R2.1253 C1=CC=C(C=C1)C2CCCNCC2 CBR00931 [0,0,1,1,0,0|1,0,0]=3 146 B14R2.2974 BrCC1(OCCO1)C2=CC=CC=C2 S978310 [0,0,1,1,0,0|2,0,0]=4 147 B14R2.2974 ClCC1(OCCO1)C2=CC=CC=C2 PH007323 [0,0,1,1,0,0|2,0,0]=4 148 B14R2.6 C1=CC=C(C=C1)CC2CCCCC2 S511749 [0,0,1,1,0,0|2,0,0]=4 149 B14R2.6 C1=CN=C(C=C1)CN2CCNCC2 CDS003581 [0,0,1,1,0,0|2,0,0]=4 150 B14R2.6 C1=CN=CC(=C1)CN2CCNCC2 CDS002717 [0,0,1,1,0,0|2,0,0]=4 151 B14R2.101 C1=CC=C(C=C1)CCC2CCNC2 CDS010462 [0,0,1,1,0,0|1,0,0]=3 152 B14R2.101 C1=CC=C(C=C1)COC2CCNC2 MNO000089 [0,0,1,1,0,0|0,0,0]=2 153 B14R3.2531 C1=CC=C2C(=C1)C3CSCC2C3 T197777 [1,0,0,1,0,0|2,0,0]=4 154 B14R3.608 CC1=CC2CC1C3=CC=CC=C23 T201189 [0,0,0,1,1,0|1,0,1]=4 155 B16R3.2520 OC1(CC2CCC1C2)C3=CC=CC=C3 S659363 [0,1,0,1,0,0|2,0,0]=4 156 B16R3.16615 CC1(CC2CCC1C3=C2C=CC=C3)O T196576 [0,1,0,1,0,0|2,0,0]=4 157 B16R3.16615 CC1(CC2CCC1C3=C2C=CC=C3)O T202126 [0,1,0,1,0,0|2,0,0]=4 158 B12R2.2 C1=CC(=CC=N1)C2CCCN2 CDS006470 [1,0,0,0,1,0|2,0,0]=4 159 B12R2.2 C1=CC(=CC=N1)C2OCCO2 PH000070 [1,0,0,0,1,0|2,0,0]=4 160 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [1,0,0,0,1,0|1,0,1]=4 161 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,0,0,0,1,0|1,0,0]=3 162 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,0,0,0,1,0|1,0,0]=3 163 B12R2.2 C1=CC=C(C=C1)C2NCCS2 S204609 [1,0,0,0,1,0|0,1,0]=3 164 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [1,0,0,0,1,0|1,0,0]=3 165 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,0,0,0,1,0|0,0,0]=2 166 B12R2.2 C1=CC=C(N=C1)C2CCCN2 MNO000103 [1,0,0,0,1,0|2,0,0]=4 167 B14R1.29 CCCN(C)CC(O)C1=CC=CC=C1 PH014920 [0,0,1,0,0,1|2,0,0]=4