0 B15R1.882 CC(=NOCC(=O)O)C1=CC=C(C=C1)Br MCULE-4777922852 [0,0,0,0,0,0|3,0,1]=4 1 B15R1.882 CC(=NOCC(=O)O)C1=CC=C(C=C1)Cl MCULE-8037054229 [0,0,0,0,0,0|3,0,1]=4 2 B15R1.882 CC(C)CCNC(=O)C1=CC=C(C=C1)Br MCULE-3394973869 [0,0,0,0,0,0|3,0,1]=4 3 B15R1.882 CC(C)CCNC(=O)C1=CC=C(C=C1)Cl MCULE-3928014861 [0,0,0,0,0,0|3,0,1]=4 4 B15R1.882 CC(C)CCNC(=O)C1=CC=C(C=C1)F MCULE-8043813361 [0,0,0,0,0,0|3,0,1]=4 5 B15R1.882 CC(C)CCNC(=O)C1=CC=C(C=C1)I MCULE-1727665568 [0,0,0,0,0,0|3,0,1]=4 6 B15R1.882 CC(C)CCNC(=O)C1=CC=C(C=C1)N MCULE-5018430236 [0,0,0,0,0,0|2,0,1]=3 7 B15R1.882 CC(C)CCNC(=O)C1=CC=C(C=C1)N MCULE-9483156438 [0,0,0,0,0,0|2,0,1]=3 8 B15R1.882 CC(C)CCOC(=O)C1=CC=C(C=C1)N MCULE-4488095663 [0,0,0,0,0,0|3,0,1]=4 9 B15R1.882 CC1=CC=C(C=C1)C(=O)CCCC(=O)O MCULE-9806598322 [0,0,0,0,0,0|2,0,0]=2 10 B15R1.882 CC1=CC=C(C=C1)C(=O)CSCC(=O)O MCULE-6067771681 [0,0,0,0,0,0|3,0,0]=3 11 B15R1.882 CC1=CC=C(C=C1)C(=O)NCCC(=O)O MCULE-2185527787 [0,0,0,0,0,0|1,0,0]=1 12 B15R1.882 CC1=CC=C(C=C1)C(=O)NCCC(C)C MCULE-2949674312 [0,0,0,0,0,0|3,0,1]=4 13 B15R1.882 CC1=CC=C(C=C1)C(=O)NCCN(C)C MCULE-8151686100 [0,0,0,0,0,0|4,0,0]=4 14 B15R1.882 CC1=CC=C(C=C1)S(=O)CCCC(=O)O MCULE-2116379974 [0,0,0,0,0,0|3,0,0]=3 15 B15R1.882 CN(C)CCNC(=O)C1=CC=C(C=C1)Br MCULE-3375379978 [0,0,0,0,0,0|4,0,0]=4 16 B15R1.882 CN(C)CCNC(=O)C1=CC=C(C=C1)Cl MCULE-6043176331 [0,0,0,0,0,0|4,0,0]=4 17 B15R1.882 CN(C)CCNC(=O)C1=CC=C(C=C1)F MCULE-5006538241 [0,0,0,0,0,0|4,0,0]=4 18 B15R1.882 CN(C)CCNC(=O)C1=CC=C(C=C1)F MCULE-6248824066 [0,0,0,0,0,0|4,0,0]=4 19 B15R1.882 CN(C)CCNC(=O)C1=CC=C(C=C1)I MCULE-2866478289 [0,0,0,0,0,0|4,0,0]=4 20 B15R1.882 CN(C)CCNC(=O)C1=CC=C(C=C1)I MCULE-5940461867 [0,0,0,0,0,0|4,0,0]=4 21 B15R1.882 CN(C)CCNC(=O)C1=CC=C(C=C1)N MCULE-2919511452 [0,0,0,0,0,0|3,0,0]=3 22 B15R1.882 CN(C)CCNC(=O)C1=CC=C(C=C1)N MCULE-5143342842 [0,0,0,0,0,0|3,0,0]=3 23 B15R1.882 NC(=O)CCNC(=O)C1=CC=C(C=C1)N MCULE-6085147497 [0,0,0,0,0,0|1,0,0]=1 24 B15R1.882 NC1=CC=C(C=C1)C(=O)NCCC(=O)O MCULE-2559626649 [0,0,0,0,0,0|0,0,0]=0 25 B15R1.882 NC1=CC=C(C=C1)C(=O)NCCC(=O)O MCULE-4085659588 [0,0,0,0,0,0|0,0,0]=0 26 B15R1.882 N[C@H](CCCC(=O)O)C1=CC=C(C=C1)F MCULE-4816427554 [0,0,0,0,0,0|3,0,1]=4 27 B15R1.882 O=C(O)C=NNC(=O)C1=CC=C(C=C1)Br MCULE-3878858765 [0,0,0,0,0,0|2,0,1]=3 28 B15R1.882 O=C(O)CCCC(=O)C1=CC=C(C=C1)Br MCULE-2220300676 [0,0,0,0,0,0|2,0,0]=2 29 B15R1.882 O=C(O)CCCC(=O)C1=CC=C(C=C1)Cl MCULE-3832021948 [0,0,0,0,0,0|2,0,0]=2 30 B15R1.882 O=C(O)CCCC(=O)C1=CC=C(C=C1)F MCULE-8564584175 [0,0,0,0,0,0|2,0,0]=2 31 B15R1.882 O=C(O)CCCC(=O)C1=CC=C(C=C1)I MCULE-6911343580 [0,0,0,0,0,0|2,0,0]=2 32 B15R1.882 O=C(O)CCCS(=O)C1=CC=C(C=C1)Br MCULE-4957838670 [0,0,0,0,0,0|3,0,0]=3 33 B15R1.882 O=C(O)CCC[C@H](O)C1=CC=C(C=C1)F MCULE-8383583991 [0,0,0,0,0,0|2,0,2]=4 34 B15R1.882 O=C(O)CCNC(=O)C1=CC=C(C=C1)Br MCULE-9619919045 [0,0,0,0,0,0|1,0,0]=1 35 B15R1.882 O=C(O)CCNC(=O)C1=CC=C(C=C1)Cl MCULE-6887471730 [0,0,0,0,0,0|1,0,0]=1 36 B15R1.882 O=C(O)CCNC(=O)C1=CC=C(C=C1)F MCULE-4440149527 [0,0,0,0,0,0|1,0,0]=1 37 B15R1.882 O=C(O)CCNC(=O)C1=CC=C(C=C1)O MCULE-9163930396 [0,0,0,0,0,0|1,0,0]=1 38 B15R1.882 O=C(O)CSCC(=O)C1=CC=C(C=C1)Br MCULE-6486585904 [0,0,0,0,0,0|3,0,0]=3 39 B15R1.882 O=C(O)CSCC(=O)C1=CC=C(C=C1)Cl MCULE-5435025004 [0,0,0,0,0,0|3,0,0]=3 40 B15R1.882 O=C(O)CSCC(=O)C1=CC=C(C=C1)F MCULE-8409459832 [0,0,0,0,0,0|3,0,0]=3 41 B15R1.882 O=C([O-])CCNC(=O)C1=CC=C(C=C1)O MCULE-6129816540 [0,0,0,0,0,0|1,0,1]=2 42 B14R1.19 C=CCONC(=O)C1=CC=C(C=C1)F MCULE-9978475797 [1,0,0,0,0,0|3,0,0]=4 43 B14R1.19 CC1=CC=C(C=C1)C(=O)NCCC#N MCULE-3589266606 [1,0,0,0,0,0|2,0,1]=4 44 B14R1.19 CC1=CC=C(C=C1)C(=O)NCCCN MCULE-3717331973 [1,0,0,0,0,0|2,0,1]=4 45 B14R1.19 CC1=CC=C(C=C1)C(=O)NCCCO MCULE-4544198722 [1,0,0,0,0,0|1,0,1]=3 46 B14R1.19 CC1=CC=C(C=C1)C(=O)N[NH2+]CCO MCULE-5587627834 [1,0,0,0,0,0|2,0,1]=4 47 B14R1.19 CC1=CC=C(C=C1)C(=O)N[NH2+]CCO MCULE-8628258465 [1,0,0,0,0,0|2,0,1]=4 48 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)N MCULE-7721654029 [1,0,0,0,0,0|2,0,1]=4 49 B14R1.19 CCCCNC(=O)C1=CC=C(C=C1)Br MCULE-7671271270 [1,0,0,0,0,0|2,0,1]=4 50 B14R1.19 CCCCNC(=O)C1=CC=C(C=C1)C MCULE-3925706262 [1,0,0,0,0,0|2,0,1]=4 51 B14R1.19 CCCCNC(=O)C1=CC=C(C=C1)Cl MCULE-1282105428 [1,0,0,0,0,0|2,0,1]=4 52 B14R1.19 CCCCNC(=O)C1=CC=C(C=C1)F MCULE-4671432064 [1,0,0,0,0,0|2,0,1]=4 53 B14R1.19 CCCCNC(=O)C1=CC=C(C=C1)N MCULE-7045581761 [1,0,0,0,0,0|1,0,1]=3 54 B14R1.19 CCCCNC(=O)C1=CC=C(C=C1)O MCULE-3309687207 [1,0,0,0,0,0|2,0,1]=4 55 B14R1.19 CCCCNC(=O)C1=NC=C(C=C1)N MCULE-4177330192 [1,0,0,0,0,0|2,0,1]=4 56 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N MCULE-6283966699 [1,0,0,0,0,0|2,0,1]=4 57 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)Br MCULE-6873357633 [1,0,0,0,0,0|3,0,0]=4 58 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)C MCULE-4487284605 [1,0,0,0,0,0|3,0,0]=4 59 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)Cl MCULE-4309184018 [1,0,0,0,0,0|3,0,0]=4 60 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)F MCULE-7841162423 [1,0,0,0,0,0|3,0,0]=4 61 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)I MCULE-6892423231 [1,0,0,0,0,0|3,0,0]=4 62 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)N MCULE-2920523609 [1,0,0,0,0,0|2,0,0]=3 63 B14R1.19 COCCOC(=O)C1=CC=C(C=C1)N MCULE-6476934462 [1,0,0,0,0,0|3,0,0]=4 64 B14R1.19 COCCOC(=O)C1=CC=C(C=C1)N MCULE-6552693681 [1,0,0,0,0,0|3,0,0]=4 65 B14R1.19 C[N+]1=CC=C(C=C1)C(=O)NCCCO MCULE-5641676241 [1,0,0,0,0,0|2,0,1]=4 66 B14R1.19 C[N+]1=CC=C(C=C1)C(=O)NCCCO MCULE-9414154513 [1,0,0,0,0,0|2,0,1]=4 67 B14R1.19 NC1=CC=C(C=C1)C(=O)NCCCO MCULE-8655209132 [1,0,0,0,0,0|0,0,1]=2 68 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)Br MCULE-8875191941 [1,0,0,0,0,0|2,0,1]=4 69 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)Cl MCULE-2341677412 [1,0,0,0,0,0|2,0,1]=4 70 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)F MCULE-4592907028 [1,0,0,0,0,0|2,0,1]=4 71 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)F MCULE-8649549418 [1,0,0,0,0,0|2,0,1]=4 72 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)I MCULE-3949987596 [1,0,0,0,0,0|2,0,1]=4 73 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)I MCULE-4424470194 [1,0,0,0,0,0|2,0,1]=4 74 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)O MCULE-1037870469 [1,0,0,0,0,0|2,0,1]=4 75 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)O MCULE-6069424675 [1,0,0,0,0,0|2,0,1]=4 76 B14R1.19 O=C(NCCCBr)C1=CC=C(C=C1)I MCULE-9560305946 [1,0,0,0,0,0|2,0,1]=4 77 B14R1.19 O=C(NCCCCl)C1=CC=C(C=C1)Cl MCULE-9947114759 [1,0,0,0,0,0|2,0,1]=4 78 B14R1.19 O=C(NCCCCl)C1=CC=C(C=C1)F MCULE-9629909022 [1,0,0,0,0,0|2,0,1]=4 79 B14R1.19 O=C(NCCCO)C1=CC=C(C=C1)Br MCULE-6233245083 [1,0,0,0,0,0|1,0,1]=3 80 B14R1.19 O=C(NCCCO)C1=CC=C(C=C1)Cl MCULE-8506360198 [1,0,0,0,0,0|1,0,1]=3 81 B14R1.19 O=C(NCCCO)C1=CC=C(C=C1)F MCULE-4565774097 [1,0,0,0,0,0|1,0,1]=3 82 B14R1.19 O=C(NOCCO)C1=CC=C(C=C1)Br MCULE-5385462883 [1,0,0,0,0,0|2,0,1]=4 83 B14R1.420 C/C(=N/OCC(=O)O)/C1=CC=CC=C1 MCULE-3235144852 [1,0,0,0,0,0|2,0,1]=4 84 B14R1.420 C=C(CCCC(=O)O)C1=CC=CC=C1 MCULE-3355590561 [1,0,0,0,0,0|2,0,0]=3 85 B14R1.420 CC(=NOCC(=O)O)C1=CC=CC=C1 MCULE-3655418611 [1,0,0,0,0,0|2,0,1]=4 86 B14R1.420 CC(=O)CCCC(=O)C1=NC=CC=C1 MCULE-5323019841 [1,0,0,0,0,0|3,0,0]=4 87 B14R1.420 CC(=O)OCCC(=O)C1=CC=CC=C1 MCULE-3789491063 [1,0,0,0,0,0|3,0,0]=4 88 B14R1.420 CC(C)CCNC(=O)C1=CC=CC=C1 MCULE-5226416248 [1,0,0,0,0,0|2,0,1]=4 89 B14R1.420 CC(CCCC(=O)O)C1=CC=CC=C1 MCULE-7532695944 [1,0,0,0,0,0|2,0,1]=4 90 B14R1.420 CC(NCCC(=O)N)C1=CC=CC=C1 MCULE-7418877508 [1,0,0,0,0,0|2,0,1]=4 91 B14R1.420 CC(NCCC(=O)O)C1=CC=CC=C1 MCULE-7791545562 [1,0,0,0,0,0|1,0,1]=3 92 B14R1.420 CC(SCCC(=O)O)C1=CC=CC=C1 MCULE-9108523998 [1,0,0,0,0,0|2,0,1]=4 93 B14R1.420 CN(CCCC(=O)O)C1=CC=CC=C1 MCULE-2847041735 [1,0,0,0,0,0|3,0,0]=4 94 B14R1.420 NC(=O)CCCC(=O)C1=CC=CC=C1 MCULE-9094711769 [1,0,0,0,0,0|2,0,0]=3 95 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-2511685381 [1,0,0,0,0,0|2,0,1]=4 96 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-3268292691 [1,0,0,0,0,0|2,0,1]=4 97 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-4083411228 [1,0,0,0,0,0|2,0,1]=4 98 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-6742004481 [1,0,0,0,0,0|2,0,1]=4 99 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-1095590446 [1,0,0,0,0,0|2,0,1]=4 100 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-5504214390 [1,0,0,0,0,0|2,0,1]=4 101 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-9472436551 [1,0,0,0,0,0|2,0,1]=4 102 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-9528661588 [1,0,0,0,0,0|2,0,1]=4 103 B14R1.420 O=C(Cl)CCCC(=O)C1=CC=CC=C1 MCULE-9199007250 [1,0,0,0,0,0|2,0,0]=3 104 B14R1.420 O=C(O)C=NNC(=O)C1=CC=CC=C1 MCULE-2455675484 [1,0,0,0,0,0|1,0,1]=3 105 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 MCULE-1720844080 [1,0,0,0,0,0|1,0,0]=2 106 B14R1.420 O=C(O)CCCC(=O)C1=CC=NC=C1 MCULE-4835033895 [1,0,0,0,0,0|2,0,0]=3 107 B14R1.420 O=C(O)CCCC(=O)C1=CN=CC=C1 MCULE-3407445136 [1,0,0,0,0,0|2,0,0]=3 108 B14R1.420 O=C(O)CCCC(=O)C1=NC=CC=C1 MCULE-4142030534 [1,0,0,0,0,0|2,0,0]=3 109 B14R1.420 O=C(O)CCCC(O)C1=CC=CC=C1 MCULE-9363545821 [1,0,0,0,0,0|1,0,2]=4 110 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 MCULE-7715802662 [1,0,0,0,0,0|0,0,0]=1 111 B14R1.420 O=C(O)CCNC(=O)C1=CC=NC=C1 MCULE-4830439745 [1,0,0,0,0,0|1,0,0]=2 112 B14R1.420 O=C(O)CCNC(=O)C1=CN=CC=C1 MCULE-2571415591 [1,0,0,0,0,0|1,0,0]=2 113 B14R1.420 O=C(O)CCNC(=O)C1=NC=CN=C1 MCULE-2946887981 [1,0,0,0,0,0|2,0,0]=3 114 B14R1.420 O=C(O)CSCC(=O)C1=CC=CC=C1 MCULE-1333438402 [1,0,0,0,0,0|2,0,0]=3 115 B14R1.420 O=C(OCCN(=O)=O)C1=CC=CC=C1 MCULE-7644815707 [1,0,0,0,0,0|2,0,1]=4 116 B14R1.420 O=C([O-])CCNC(=O)C1=CC=CN=C1 MCULE-6210151544 [1,0,0,0,0,0|1,0,1]=3 117 B14R1.677 CC1=CC=C(C=C1)CCCCC(=O)O MCULE-5505798835 [1,0,0,0,0,0|2,0,1]=4 118 B14R1.677 CC1=CC=C(C=C1)CNCCC(=O)O MCULE-1316015865 [1,0,0,0,0,0|1,0,1]=3 119 B14R1.677 CC1=CC=C(C=C1)CNCCC(=O)O MCULE-5304575155 [1,0,0,0,0,0|1,0,1]=3 120 B14R1.677 CC1=CC=C(C=C1)CSCCC(=O)O MCULE-8229705274 [1,0,0,0,0,0|2,0,1]=4 121 B14R1.677 CC1=CC=C(C=C1)OCCCC(=O)O MCULE-8122841775 [1,0,0,0,0,0|3,0,0]=4 122 B14R1.677 CC1=CC=C(C=C1)SCCCC(=O)O MCULE-4445079115 [1,0,0,0,0,0|3,0,0]=4 123 B14R1.677 NC1=CC=C(C=C1)NCCCC(=O)O MCULE-5341934171 [1,0,0,0,0,0|2,0,0]=3 124 B14R1.677 NC1=CC=C(C=C1)OCCCC(=O)O MCULE-8032917013 [1,0,0,0,0,0|2,0,0]=3 125 B14R1.677 O=C(O)CCC=CC1=CC=C(C=C1)F MCULE-9450681882 [1,0,0,0,0,0|2,0,0]=3 126 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)Br MCULE-5795538347 [1,0,0,0,0,0|2,0,1]=4 127 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)Cl MCULE-7732755765 [1,0,0,0,0,0|2,0,1]=4 128 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)F MCULE-7597451454 [1,0,0,0,0,0|2,0,1]=4 129 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)I MCULE-8575617498 [1,0,0,0,0,0|2,0,1]=4 130 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)O MCULE-5009178631 [1,0,0,0,0,0|2,0,1]=4 131 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Br MCULE-9161164297 [1,0,0,0,0,0|3,0,0]=4 132 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Cl MCULE-9657014918 [1,0,0,0,0,0|3,0,0]=4 133 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F MCULE-5070746749 [1,0,0,0,0,0|3,0,0]=4 134 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)I MCULE-4714998652 [1,0,0,0,0,0|3,0,0]=4 135 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)Br MCULE-4980660863 [1,0,0,0,0,0|3,0,0]=4 136 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)Cl MCULE-4942310930 [1,0,0,0,0,0|3,0,0]=4 137 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)F MCULE-2643085919 [1,0,0,0,0,0|3,0,0]=4 138 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)Br MCULE-8298038100 [1,0,0,0,0,0|1,0,1]=3 139 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)Br MCULE-8784753607 [1,0,0,0,0,0|1,0,1]=3 140 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)Cl MCULE-1115726045 [1,0,0,0,0,0|1,0,1]=3 141 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)Cl MCULE-7266492418 [1,0,0,0,0,0|1,0,1]=3 142 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)F MCULE-3024010035 [1,0,0,0,0,0|1,0,1]=3 143 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)F MCULE-8067575966 [1,0,0,0,0,0|1,0,1]=3 144 B14R1.677 O=C(O)CCSCC1=CC=C(C=C1)Br MCULE-6476373786 [1,0,0,0,0,0|2,0,1]=4 145 B14R1.677 O=C(O)CCSCC1=CC=C(C=C1)Cl MCULE-4688157536 [1,0,0,0,0,0|2,0,1]=4 146 B14R1.677 O=C(O)CCSCC1=CC=C(C=C1)F MCULE-3109167340 [1,0,0,0,0,0|2,0,1]=4 147 B14R1.677 O=C(O)CON=CC1=CC=C(C=C1)Br MCULE-3853429466 [1,0,0,0,0,0|2,0,1]=4 148 B16R1.214 CCC1=CC=C(C=C1)C(=O)CCCC(=O)O MCULE-3537933815 [0,1,0,0,0,0|2,0,0]=3 149 B16R1.214 CCC1=CC=C(C=C1)C(=O)CSCC(=O)O MCULE-5438575442 [0,1,0,0,0,0|3,0,0]=4 150 B16R1.214 CN(C)CCNC(=O)C1=CC=C(C=C1)CN MCULE-4162844570 [0,1,0,0,0,0|3,0,0]=4 151 B16R1.214 CN(C)CCNC(=O)C1=CC=C(C=C1)CN MCULE-7293704075 [0,1,0,0,0,0|3,0,0]=4 152 B16R1.214 COC1=CC=C(C=C1)C(=O)CCCC(=O)O MCULE-3738777674 [0,1,0,0,0,0|2,0,0]=3 153 B16R1.214 COC1=CC=C(C=C1)C(=O)COCC(=O)O MCULE-4827921251 [0,1,0,0,0,0|3,0,0]=4 154 B16R1.214 COC1=CC=C(C=C1)C(=O)CSCC(=O)O MCULE-3103165554 [0,1,0,0,0,0|3,0,0]=4 155 B16R1.214 COC1=CC=C(C=C1)C(=O)NCCC(=O)O MCULE-4803216787 [0,1,0,0,0,0|1,0,0]=2 156 B16R1.214 COC1=CC=C(C=C1)C(=O)NN=CC(=O)O MCULE-1697344820 [0,1,0,0,0,0|2,0,1]=4 157 B16R1.214 COC1=NC=C(C=C1)C(=O)CCCC(=O)O MCULE-4261988900 [0,1,0,0,0,0|3,0,0]=4 158 B16R1.214 CSC1=CC=C(C=C1)C(=O)CCCC(=O)O MCULE-2302497355 [0,1,0,0,0,0|2,0,0]=3 159 B16R1.214 CSC1=CC=C(C=C1)C(=O)CSCC(=O)O MCULE-5311681139 [0,1,0,0,0,0|3,0,0]=4 160 B16R1.214 O=CC1=CC=C(C=C1)C(=O)NCCC(=O)O MCULE-4263222196 [0,1,0,0,0,0|1,0,0]=2 161 B16R1.1025 CS(=O)(=O)CCNC(=O)C1=CC=C(C=C1)N MCULE-1163860577 [0,1,0,0,0,0|1,0,1]=3 162 B16R1.1025 NC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)O MCULE-5785423173 [0,1,0,0,0,0|1,0,0]=2 163 B16R1.1025 O=C(NCCS(=O)(=O)O)C1=CC=C(C=C1)Cl MCULE-4262363997 [0,1,0,0,0,0|2,0,0]=3 164 B16R1.1038 CC(CC(=O)O)CC(=O)C1=CC=C(C=C1)Br MCULE-8606422983 [0,1,0,0,0,0|2,0,0]=3 165 B16R1.1038 CC(CC(=O)O)CC(=O)C1=CC=C(C=C1)Cl MCULE-1353123801 [0,1,0,0,0,0|2,0,0]=3 166 B16R1.1038 CC(CC(=O)O)CC(=O)C1=CC=C(C=C1)F MCULE-5484440342 [0,1,0,0,0,0|2,0,0]=3 167 B16R1.1038 CC1=CC=C(C=C1)C(=O)CC(C)CC(=O)O MCULE-4419237237 [0,1,0,0,0,0|2,0,0]=3 168 B16R1.1038 O=C(O)CC(=O)NC(=O)C1=CC=C(C=C1)Cl MCULE-8225081654 [0,1,0,0,0,0|1,0,1]=3 169 B16R1.1039 CC(SCC(=O)C1=CC=C(C=C1)Br)C(=O)O MCULE-6053041266 [0,1,0,0,0,0|3,0,0]=4 170 B16R1.1039 CC(SCC(=O)C1=CC=C(C=C1)Cl)C(=O)O MCULE-2019283233 [0,1,0,0,0,0|3,0,0]=4 171 B16R1.1050 CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)O MCULE-6437969710 [0,1,0,0,0,0|3,0,0]=4 172 B16R1.1050 CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O MCULE-4813317443 [0,1,0,0,0,0|2,0,0]=3 173 B16R1.1050 NC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br MCULE-9908351431 [0,1,0,0,0,0|3,0,0]=4 174 B16R1.1050 NC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Cl MCULE-4164819065 [0,1,0,0,0,0|3,0,0]=4 175 B16R1.1050 NC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)F MCULE-3996755714 [0,1,0,0,0,0|3,0,0]=4 176 B16R1.1050 O=C(O)CCCS(=O)(=O)C1=CC=C(C=C1)Br MCULE-3584341569 [0,1,0,0,0,0|3,0,0]=4 177 B16R1.1050 O=C(O)CCCS(=O)(=O)C1=CC=C(C=C1)Cl MCULE-5376649332 [0,1,0,0,0,0|3,0,0]=4 178 B16R1.1050 O=C(O)CCCS(=O)(=O)C1=CC=C(C=C1)F MCULE-1121518757 [0,1,0,0,0,0|3,0,0]=4 179 B16R1.1050 O=C(O)CCNS(=O)(=O)C1=CC=C(C=C1)Br MCULE-2783729534 [0,1,0,0,0,0|2,0,0]=3 180 B16R1.1050 O=C(O)CCNS(=O)(=O)C1=CC=C(C=C1)Cl MCULE-7773086276 [0,1,0,0,0,0|2,0,0]=3 181 B16R1.1050 O=C(O)CCNS(=O)(=O)C1=CC=C(C=C1)F MCULE-4007531877 [0,1,0,0,0,0|2,0,0]=3 182 B16R1.1050 O=C(O)CCNS(=O)(=O)C1=CC=C(C=C1)I MCULE-9209348424 [0,1,0,0,0,0|2,0,0]=3 183 B16R1.1050 O=C(O)CCNS(=O)(=O)C1=CN=C(C=C1)Cl MCULE-1509800296 [0,1,0,0,0,0|3,0,0]=4 184 B16R1.1091 CC1=C(C=C(C=C1)C(=O)CCCC(=O)O)Br MCULE-9882217717 [0,1,0,0,0,0|2,0,0]=3 185 B16R1.1091 CC1=C(C=C(C=C1)C(=O)CCCC(=O)O)C MCULE-8808652901 [0,1,0,0,0,0|2,0,0]=3 186 B16R1.1091 CC1=C(C=C(C=C1)C(=O)CCCC(=O)O)Cl MCULE-5734146966 [0,1,0,0,0,0|2,0,0]=3 187 B16R1.1091 CC1=C(C=C(C=C1)C(=O)CCCC(=O)O)F MCULE-7952865370 [0,1,0,0,0,0|2,0,0]=3 188 B16R1.1091 CC1=C(C=CC(=C1)C(=O)CCCC(=O)O)Cl MCULE-9780340645 [0,1,0,0,0,0|2,0,0]=3 189 B16R1.1091 CC1=C(C=CC(=C1)C(=O)CCCC(=O)O)F MCULE-2531102948 [0,1,0,0,0,0|2,0,0]=3 190 B16R1.1091 CC1=CC(=CC=C1Cl)C(=O)CSCC(=O)O MCULE-8519645813 [0,1,0,0,0,0|3,0,0]=4 191 B16R1.1091 CC1=CC(=CC=C1F)C(=O)CSCC(=O)O MCULE-7060385387 [0,1,0,0,0,0|3,0,0]=4 192 B16R1.1091 CC1=CC=C(C=C1C)C(=O)CSCC(=O)O MCULE-9737859600 [0,1,0,0,0,0|3,0,0]=4 193 B16R1.1091 CC1=CC=C(C=C1Cl)C(=O)CSCC(=O)O MCULE-7923533213 [0,1,0,0,0,0|3,0,0]=4 194 B16R1.1091 CC1=CC=C(C=C1F)C(=O)CSCC(=O)O MCULE-5251725297 [0,1,0,0,0,0|3,0,0]=4 195 B16R1.1091 NC(=O)CCNC(=O)C1=CC(=C(C=C1)F)N MCULE-6430348717 [0,1,0,0,0,0|2,0,0]=3 196 B16R1.1091 O=C(O)CCCC(=O)C1=CC(=C(C=C1)Cl)Cl MCULE-9191282600 [0,1,0,0,0,0|2,0,0]=3 197 B16R1.1091 O=C(O)CCCC(=O)C1=CC(=C(C=C1)Cl)F MCULE-2312854332 [0,1,0,0,0,0|2,0,0]=3 198 B16R1.1091 O=C(O)CCCC(=O)C1=CC(=C(C=C1)F)Cl MCULE-3137329942 [0,1,0,0,0,0|2,0,0]=3 199 B16R1.1091 O=C(O)CCCC(=O)C1=CC(=C(C=C1)F)F MCULE-7484637570 [0,1,0,0,0,0|2,0,0]=3 200 B16R1.1091 O=C(O)CCNC(=O)C1=CC=C(C(=C1)Cl)Cl MCULE-9324264200 [0,1,0,0,0,0|1,0,0]=2 201 B16R1.1091 O=C(O)CSCC(=O)C1=CC=C(C(=C1)Cl)Cl MCULE-6855801908 [0,1,0,0,0,0|3,0,0]=4 202 B16R1.1091 O=C(O)CSCC(=O)C1=CC=C(C(=C1)Cl)F MCULE-7790192549 [0,1,0,0,0,0|3,0,0]=4 203 B16R1.1091 O=C(O)CSCC(=O)C1=CC=C(C(=C1)F)Cl MCULE-7836503759 [0,1,0,0,0,0|3,0,0]=4 204 B16R1.1091 O=C(O)CSCC(=O)C1=CC=C(C(=C1)F)F MCULE-9372907785 [0,1,0,0,0,0|3,0,0]=4 205 B16R1.1142 COC(=O)/C=C/OC(=O)C1=CC=C(C=C1)N MCULE-1766321844 [0,1,0,0,0,0|1,0,2]=4 206 B16R1.1142 COC(=O)C=COC(=O)C1=CC=C(C=C1)N MCULE-9240936203 [0,1,0,0,0,0|1,0,2]=4 207 B16R1.1142 COC(=O)CCCC(=O)C1=CC=C(C=C1)C MCULE-5954384516 [0,1,0,0,0,0|2,0,0]=3 208 B16R1.1142 COC(=O)CCCC(=O)C1=CC=C(C=C1)Cl MCULE-9841375175 [0,1,0,0,0,0|2,0,0]=3 209 B16R1.1142 COC(=O)CCCC(=O)C1=CC=C(C=C1)F MCULE-6305874992 [0,1,0,0,0,0|2,0,0]=3 210 B16R1.1142 COC(=O)CCNC(=O)C1=CC=C(C=C1)Cl MCULE-9875937245 [0,1,0,0,0,0|1,0,0]=2 211 B16R1.1142 COC(=O)CCNC(=O)C1=CC=C(C=C1)F MCULE-3384976442 [0,1,0,0,0,0|1,0,0]=2 212 B16R1.1142 COC(=O)CCNC(=O)C1=CC=C(C=C1)N MCULE-1099452176 [0,1,0,0,0,0|0,0,0]=1 213 B16R1.1142 COC(=O)CSCC(=O)C1=CC=C(C=C1)Br MCULE-5334596101 [0,1,0,0,0,0|3,0,0]=4 214 B16R1.1142 NNC(=O)CCNC(=O)C1=CC=C(C=C1)Cl MCULE-1256243092 [0,1,0,0,0,0|2,0,0]=3 215 B16R1.11442 CC(C)CCNC(=O)C1=C(C=C(C=C1)N)Cl MCULE-5505089350 [0,1,0,0,0,0|2,0,1]=4 216 B16R1.11442 CC(C)CCNC(=O)C1=C(C=C(C=C1)N)Cl MCULE-7435386195 [0,1,0,0,0,0|2,0,1]=4 217 B16R1.11442 CC1=C(C=CC(=C1)Br)C(=O)CCCC(=O)O MCULE-5622726754 [0,1,0,0,0,0|2,0,0]=3 218 B16R1.11442 CC1=C(C=CC(=C1)Cl)C(=O)CCCC(=O)O MCULE-8188604571 [0,1,0,0,0,0|2,0,0]=3 219 B16R1.11442 CC1=CC(=C(C=C1)C(=O)CCCC(=O)O)C MCULE-5762954754 [0,1,0,0,0,0|2,0,0]=3 220 B16R1.11442 CC1=CC(=C(C=C1)C(=O)NCCC(=O)O)O MCULE-6316514916 [0,1,0,0,0,0|1,0,0]=2 221 B16R1.11442 CC1=CC(=CC=C1C(=O)CCCC(=O)O)F MCULE-7891630075 [0,1,0,0,0,0|2,0,0]=3 222 B16R1.11442 CC1=CC(=CC=C1C(=O)CSCC(=O)O)Cl MCULE-7039789140 [0,1,0,0,0,0|3,0,0]=4 223 B16R1.11442 CC1=CC(=CC=C1C(=O)CSCC(=O)O)F MCULE-4461801935 [0,1,0,0,0,0|3,0,0]=4 224 B16R1.11442 CC1=CC=C(C(=C1)C)C(=O)CSCC(=O)O MCULE-7800192833 [0,1,0,0,0,0|3,0,0]=4 225 B16R1.11442 CN(C)CCNC(=O)C1=C(C=C(C=C1)N)Cl MCULE-8275492622 [0,1,0,0,0,0|3,0,0]=4 226 B16R1.11442 NC1=CC(=C(C=C1)C(=O)NCCC(=O)O)Cl MCULE-5018323692 [0,1,0,0,0,0|0,0,0]=1 227 B16R1.11442 O=C(O)CCCC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-1286808441 [0,1,0,0,0,0|2,0,0]=3 228 B16R1.11442 O=C(O)CCCC(=O)C1=C(C=C(C=C1)Cl)F MCULE-1542841203 [0,1,0,0,0,0|2,0,0]=3 229 B16R1.11442 O=C(O)CCCC(=O)C1=C(C=C(C=C1)F)Cl MCULE-8856327001 [0,1,0,0,0,0|2,0,0]=3 230 B16R1.11442 O=C(O)CCCC(=O)C1=C(C=C(C=C1)F)F MCULE-3334440518 [0,1,0,0,0,0|2,0,0]=3 231 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-4728704240 [0,1,0,0,0,0|1,0,0]=2 232 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)F)Cl MCULE-6840459908 [0,1,0,0,0,0|1,0,0]=2 233 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)F)F MCULE-1123358552 [0,1,0,0,0,0|1,0,0]=2 234 B16R1.11442 O=C(O)CSCC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-7086695729 [0,1,0,0,0,0|3,0,0]=4 235 B16R2.121 O=C(C1=CC=C(C=C1)F)N2CCC(C2)O MCULE-8456937968 [0,0,0,1,0,0|2,0,1]=4 236 B16R2.121 O=C(C1=CC=C(C=C1)F)N2CC[C@H](C2)O MCULE-8391918121 [0,0,0,1,0,0|2,0,1]=4 237 B16R2.121 O=C1CCN(N1)C(=O)C2=CC=C(C=C2)Cl MCULE-7792865556 [0,0,0,1,0,0|2,0,0]=3 238 B16R2.97889 O=C(O)CC1CC(=O)C2=CC=C(C=C12)Br MCULE-4766245780 [0,0,0,1,0,0|2,0,0]=3 239 B16R2.97889 O=C(O)CC1NC(=O)C2=CC=C(C=C12)Br MCULE-6722738820 [0,0,0,1,0,0|1,0,0]=2 240 B16R2.97889 O=C(O)CC1OC(=O)C2=C1C=C(C=C2)Br MCULE-9423080194 [0,0,0,1,0,0|2,0,0]=3 241 B14R1.678 C=C(CCC(=O)O)C1=CC=C(C=C1)C MCULE-6477245701 [0,0,0,0,1,0|2,0,0]=3 242 B14R1.678 CC(=NNC(=O)C1=CC=C(C=C1)N)C MCULE-6574222703 [0,0,0,0,1,0|3,0,0]=4 243 B14R1.678 CC(=O)CCC(=O)C1=CC=C(C=C1)Br MCULE-8774984944 [0,0,0,0,1,0|2,0,0]=3 244 B14R1.678 CC(=O)CCC(=O)C1=CC=C(C=C1)Cl MCULE-2365620842 [0,0,0,0,1,0|2,0,0]=3 245 B14R1.678 CC(=O)COC(=O)C1=CC=C(C=C1)Cl MCULE-4508935654 [0,0,0,0,1,0|3,0,0]=4 246 B14R1.678 CC(=O)COC(=O)C1=CC=C(C=C1)F MCULE-1403106582 [0,0,0,0,1,0|3,0,0]=4 247 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)Br MCULE-1479175344 [0,0,0,0,1,0|3,0,0]=4 248 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)Cl MCULE-2792123014 [0,0,0,0,1,0|3,0,0]=4 249 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)F MCULE-8803001924 [0,0,0,0,1,0|3,0,0]=4 250 B14R1.678 CC(=O)NNC(=O)C1=CC=C(C=C1)Br MCULE-4945894393 [0,0,0,0,1,0|3,0,0]=4 251 B14R1.678 CC(=O)NNC(=O)C1=CC=C(C=C1)C MCULE-3882212891 [0,0,0,0,1,0|3,0,0]=4 252 B14R1.678 CC(=O)NNC(=O)C1=CC=C(C=C1)Cl MCULE-5689262105 [0,0,0,0,1,0|3,0,0]=4 253 B14R1.678 CC(=O)NNC(=O)C1=CC=C(C=C1)F MCULE-9664273533 [0,0,0,0,1,0|3,0,0]=4 254 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)Br MCULE-9872833423 [0,0,0,0,1,0|3,0,0]=4 255 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)C MCULE-9752039405 [0,0,0,0,1,0|3,0,0]=4 256 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)Cl MCULE-3855331581 [0,0,0,0,1,0|3,0,0]=4 257 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)F MCULE-4562932917 [0,0,0,0,1,0|3,0,0]=4 258 B14R1.678 CC(C)CNC(=O)C1=CC=C(C=C1)N MCULE-4199450900 [0,0,0,0,1,0|2,0,1]=4 259 B14R1.678 CC(CCC(=O)O)C1=CC=C(C=C1)Br MCULE-6606857325 [0,0,0,0,1,0|2,0,1]=4 260 B14R1.678 CC(NCC(=O)O)C1=CC=C(C=C1)F MCULE-4649233803 [0,0,0,0,1,0|2,0,1]=4 261 B14R1.678 CC(O)CNC(=O)C1=CC=C(C=C1)Br MCULE-8564535133 [0,0,0,0,1,0|2,0,1]=4 262 B14R1.678 CC1=CC=C(C=C1)C(=O)/C=C/C(=O)O MCULE-5176410232 [0,0,0,0,1,0|1,0,2]=4 263 B14R1.678 CC1=CC=C(C=C1)C(=O)C=CC(=O)O MCULE-6112541166 [0,0,0,0,1,0|1,0,2]=4 264 B14R1.678 CC1=CC=C(C=C1)C(=O)CCC(=O)O MCULE-9689572088 [0,0,0,0,1,0|1,0,0]=2 265 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)O MCULE-8012658303 [0,0,0,0,1,0|1,0,0]=2 266 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(C)O MCULE-5826885027 [0,0,0,0,1,0|2,0,1]=4 267 B14R1.678 CC1=CC=C(C=C1)C(=S)CCC(=O)O MCULE-3272818527 [0,0,0,0,1,0|1,1,0]=3 268 B14R1.678 CC1=CC=C(C=C1)C(=S)SCC(=O)O MCULE-7049275296 [0,0,0,0,1,0|2,1,0]=4 269 B14R1.678 CC1=CC=C(C=C1)C(C)CCC(=O)O MCULE-9424902827 [0,0,0,0,1,0|2,0,1]=4 270 B14R1.678 CC1=CC=C(C=C1)C(N)CCC(=O)O MCULE-6534537933 [0,0,0,0,1,0|2,0,1]=4 271 B14R1.678 CC1=CC=C(C=C1)C(N)CCC(=O)O MCULE-8934648795 [0,0,0,0,1,0|2,0,1]=4 272 B14R1.678 CC1=CC=C(C=C1)C(O)CCC(=O)O MCULE-7019370248 [0,0,0,0,1,0|1,0,2]=4 273 B14R1.678 CN(CCC(=O)O)C1=CC=C(C=C1)F MCULE-5738325558 [0,0,0,0,1,0|3,0,0]=4 274 B14R1.678 C[C@H](O)CNC(=O)C1=CC=C(C=C1)O MCULE-1869169720 [0,0,0,0,1,0|2,0,1]=4 275 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)Cl MCULE-9370357819 [0,0,0,0,1,0|2,0,0]=3 276 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)N MCULE-8031535339 [0,0,0,0,1,0|1,0,0]=2 277 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)O MCULE-7027847891 [0,0,0,0,1,0|2,0,0]=3 278 B14R1.678 NC(=O)COC(=O)C1=CC=C(C=C1)O MCULE-4613635780 [0,0,0,0,1,0|3,0,0]=4 279 B14R1.678 NC(=O)NNC(=O)C1=CC=C(C=C1)F MCULE-1846220505 [0,0,0,0,1,0|3,0,0]=4 280 B14R1.678 NC(CCC(=O)O)C1=CC=C(C=C1)Br MCULE-5646613493 [0,0,0,0,1,0|2,0,1]=4 281 B14R1.678 NC(CCC(=O)O)C1=CC=C(C=C1)Br MCULE-8459699060 [0,0,0,0,1,0|2,0,1]=4 282 B14R1.678 NC(CCC(=O)O)C1=CC=C(C=C1)F MCULE-6014730188 [0,0,0,0,1,0|2,0,1]=4 283 B14R1.678 NC1=CC=C(C=C1)C(=O)CCC(=O)O MCULE-1176356517 [0,0,0,0,1,0|0,0,0]=1 284 B14R1.678 NC1=CC=C(C=C1)C(=O)NCC(=O)O MCULE-9532170257 [0,0,0,0,1,0|0,0,0]=1 285 B14R1.678 NC1=CC=C(C=C1)C(=O)NCC(=O)[O-] MCULE-8947422149 [0,0,0,0,1,0|0,0,1]=2 286 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)Br MCULE-5146966283 [0,0,0,0,1,0|1,0,2]=4 287 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)Cl MCULE-1059740972 [0,0,0,0,1,0|1,0,2]=4 288 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)F MCULE-4203175937 [0,0,0,0,1,0|1,0,2]=4 289 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)O MCULE-8569399652 [0,0,0,0,1,0|1,0,2]=4 290 B14R1.678 O=C(O)C=CC(=O)C1=CC=C(C=C1)Br MCULE-5124180336 [0,0,0,0,1,0|1,0,2]=4 291 B14R1.678 O=C(O)C=CC(=O)C1=CC=C(C=C1)Cl MCULE-2888849940 [0,0,0,0,1,0|1,0,2]=4 292 B14R1.678 O=C(O)C=CC(=O)C1=CC=C(C=C1)F MCULE-6332207247 [0,0,0,0,1,0|1,0,2]=4 293 B14R1.678 O=C(O)C=CC(=O)C1=CC=C(C=C1)O MCULE-8200590523 [0,0,0,0,1,0|1,0,2]=4 294 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Br MCULE-7627185295 [0,0,0,0,1,0|1,0,0]=2 295 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Cl MCULE-8379277055 [0,0,0,0,1,0|1,0,0]=2 296 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)F MCULE-5194103569 [0,0,0,0,1,0|1,0,0]=2 297 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)I MCULE-4939970301 [0,0,0,0,1,0|1,0,0]=2 298 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O MCULE-5425938673 [0,0,0,0,1,0|1,0,0]=2 299 B14R1.678 O=C(O)CCC(=O)C1=NC=C(C=C1)Cl MCULE-5504476126 [0,0,0,0,1,0|2,0,0]=3 300 B14R1.678 O=C(O)CCC(O)C1=CC=C(C=C1)F MCULE-3515269984 [0,0,0,0,1,0|1,0,2]=4 301 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Br MCULE-8295376799 [0,0,0,0,1,0|1,0,0]=2 302 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Cl MCULE-8225197193 [0,0,0,0,1,0|1,0,0]=2 303 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)F MCULE-3478810812 [0,0,0,0,1,0|1,0,0]=2 304 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)I MCULE-1965812925 [0,0,0,0,1,0|1,0,0]=2 305 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)O MCULE-6228249828 [0,0,0,0,1,0|1,0,0]=2 306 B14R1.678 O=C(O)CNC(=O)C1=CC=C(N=C1)Cl MCULE-4802167224 [0,0,0,0,1,0|2,0,0]=3 307 B14R1.4268 CC1=CC=C(O1)C(=O)NCCC(=O)O MCULE-5363399225 [0,0,0,0,1,0|2,0,0]=3 308 B14R1.4268 CC1=CC=C(S1)C(=O)CCCC(=O)O MCULE-4633760630 [0,0,0,0,1,0|3,0,0]=4 309 B14R1.4268 O=C(O)CCCC(=O)C1=CC=C(S1)Br MCULE-9691850509 [0,0,0,0,1,0|3,0,0]=4 310 B14R1.4268 O=C(O)CCCC(=O)C1=CC=C(S1)Cl MCULE-8821560724 [0,0,0,0,1,0|3,0,0]=4 311 B14R1.4268 O=C(O)CCNC(=O)C1=CC=C(N1)Br MCULE-3642795346 [0,0,0,0,1,0|2,0,0]=3 312 B14R1.4268 O=C(O)CCNC(=O)C1=CC=C(O1)Br MCULE-8529899122 [0,0,0,0,1,0|2,0,0]=3 313 B16R1.1026 CC(=O)NCCNC(=O)C1=CC=C(N=C1)C MCULE-4032023895 [0,0,0,0,0,1|3,0,0]=4 314 B16R1.1026 CC(=O)NCCSC(=O)C1=CC=C(C=C1)F MCULE-5810547829 [0,0,0,0,0,1|3,0,0]=4 315 B16R1.1026 CC1=CC=C(C=C1)C(=O)CCCCC(=O)O MCULE-7201995491 [0,0,0,0,0,1|2,0,0]=3 316 B16R1.1026 CC1=CC=C(C=C1)C(=O)CCNCC(=O)O MCULE-9647902237 [0,0,0,0,0,1|2,0,0]=3 317 B16R1.1026 CC1=CC=C(C=C1)C(=O)NCCCC(=O)O MCULE-2640104033 [0,0,0,0,0,1|1,0,0]=2 318 B16R1.1026 CN(C)CCCNC(=O)C1=CC=C(C=C1)N MCULE-8059620733 [0,0,0,0,0,1|3,0,0]=4 319 B16R1.1026 NC1=CC=C(C=C1)C(=O)NCCCC(=O)O MCULE-1522889552 [0,0,0,0,0,1|0,0,0]=1 320 B16R1.1026 NC1=CC=C(C=C1)C(=O)NCCCC(=O)[O-] MCULE-8652953535 [0,0,0,0,0,1|0,0,1]=2 321 B16R1.1026 O=C(O)CCCCC(=O)C1=CC=C(C=C1)Br MCULE-9221297910 [0,0,0,0,0,1|2,0,0]=3 322 B16R1.1026 O=C(O)CCCCC(=O)C1=CC=C(C=C1)Cl MCULE-8888254835 [0,0,0,0,0,1|2,0,0]=3 323 B16R1.1026 O=C(O)CCCCC(=O)C1=CC=C(C=C1)F MCULE-3869265721 [0,0,0,0,0,1|2,0,0]=3 324 B16R1.1026 O=C(O)CCCCC(=O)C1=CC=C(C=C1)I MCULE-9845043719 [0,0,0,0,0,1|2,0,0]=3 325 B16R1.1026 O=C(O)CCCNC(=O)C1=CC=C(C=C1)Cl MCULE-3423984729 [0,0,0,0,0,1|1,0,0]=2 326 B16R1.1026 O=C(O)CCCNC(=O)C1=CC=C(C=C1)F MCULE-6200336097 [0,0,0,0,0,1|1,0,0]=2 327 B16R1.1026 O=C(O)CCSCC(=O)C1=CC=C(C=C1)Br MCULE-4739284249 [0,0,0,0,0,1|2,0,0]=3 328 B16R1.1026 O=C(O)CCSCC(=O)C1=CC=C(C=C1)Cl MCULE-1027883791 [0,0,0,0,0,1|2,0,0]=3 329 B16R1.1026 O=C(O)CNCCC(=O)C1=CC=C(C=C1)Cl MCULE-3544831330 [0,0,0,0,0,1|2,0,0]=3 330 B16R1.1067 CC1=CC=C(C=C1)CC(=O)NCCC(=O)O MCULE-4353062378 [0,0,0,0,0,1|1,0,0]=2 331 B16R1.1067 CC1=CC=C(C=C1)NC(=O)CCCC(=O)O MCULE-1449473830 [0,0,0,0,0,1|2,0,0]=3 332 B16R1.1067 CC1=CC=C(C=C1)NC(=O)COCC(=O)O MCULE-7206148890 [0,0,0,0,0,1|3,0,0]=4 333 B16R1.1067 CC1=CC=C(C=C1)NC(=O)CSCC(=O)O MCULE-9391336705 [0,0,0,0,0,1|3,0,0]=4 334 B16R1.1067 CC1=CC=C(C=C1)OC(=O)CCCC(=O)O MCULE-2743566595 [0,0,0,0,0,1|2,0,0]=3 335 B16R1.1067 CC1=CN=C(C=C1)NC(=O)CCCC(=O)O MCULE-5583798710 [0,0,0,0,0,1|3,0,0]=4 336 B16R1.1067 NC1=CC=C(C=C1)NC(=O)NCCC(=O)O MCULE-6187179221 [0,0,0,0,0,1|0,0,0]=1 337 B16R1.1067 O=C(O)CCCC(=O)NC1=CC=C(C=C1)Br MCULE-3738998936 [0,0,0,0,0,1|2,0,0]=3 338 B16R1.1067 O=C(O)CCCC(=O)NC1=CC=C(C=C1)Cl MCULE-8799843331 [0,0,0,0,0,1|2,0,0]=3 339 B16R1.1067 O=C(O)CCCC(=O)NC1=CC=C(C=C1)F MCULE-4789333336 [0,0,0,0,0,1|2,0,0]=3 340 B16R1.1067 O=C(O)CCCC(=O)NC1=CC=C(C=C1)I MCULE-8789687501 [0,0,0,0,0,1|2,0,0]=3 341 B16R1.1067 O=C(O)CCCC(=O)NC1=CC=C(C=C1)O MCULE-8862018954 [0,0,0,0,0,1|2,0,0]=3 342 B16R1.1067 O=C(O)CCCC(=O)NC1=NC=C(C=C1)Br MCULE-1393506143 [0,0,0,0,0,1|3,0,0]=4 343 B16R1.1067 O=C(O)CCCC(=O)NC1=NC=C(C=C1)Cl MCULE-7796286332 [0,0,0,0,0,1|3,0,0]=4 344 B16R1.1067 O=C(O)CCNC(=O)NC1=CC=C(C=C1)Br MCULE-9569835042 [0,0,0,0,0,1|1,0,0]=2 345 B16R1.1067 O=C(O)CCNC(=S)NC1=CC=C(C=C1)Cl MCULE-2195629054 [0,0,0,0,0,1|1,1,0]=3 346 B16R1.1067 O=C(O)COCC(=O)NC1=CC=C(C=C1)Br MCULE-3335320424 [0,0,0,0,0,1|3,0,0]=4 347 B16R1.1067 O=C(O)COCC(=O)NC1=CC=C(C=C1)Cl MCULE-5801128538 [0,0,0,0,0,1|3,0,0]=4 348 B16R1.1067 O=C(O)COCC(=O)NC1=CC=C(C=C1)F MCULE-3754945039 [0,0,0,0,0,1|3,0,0]=4 349 B16R1.1067 O=C(O)COCC(=O)NC1=CC=C(C=C1)I MCULE-9955256981 [0,0,0,0,0,1|3,0,0]=4 350 B16R1.1067 O=C(O)CSCC(=O)NC1=CC=C(C=C1)Br MCULE-2655470708 [0,0,0,0,0,1|3,0,0]=4 351 B16R1.1067 O=C(O)CSCC(=O)NC1=CC=C(C=C1)Cl MCULE-9177676264 [0,0,0,0,0,1|3,0,0]=4 352 B16R1.1067 O=C(O)CSCC(=O)NC1=CC=C(C=C1)F MCULE-8909206420 [0,0,0,0,0,1|3,0,0]=4 353 B13R1.17 C=CCCC(=O)C1=CC=C(C=C1)Br MCULE-5000334653 [2,0,0,0,0,0|2,0,0]=4 354 B13R1.17 C=CCCC(=O)C1=CC=C(C=C1)C MCULE-1741716807 [2,0,0,0,0,0|2,0,0]=4 355 B13R1.17 C=CCCC(=O)C1=CC=C(C=C1)Cl MCULE-4166493702 [2,0,0,0,0,0|2,0,0]=4 356 B13R1.17 C=CCCC(=O)C1=CC=C(C=C1)F MCULE-5323926584 [2,0,0,0,0,0|2,0,0]=4 357 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)Br MCULE-9347942028 [2,0,0,0,0,0|1,0,1]=4 358 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)C MCULE-9925502937 [2,0,0,0,0,0|1,0,1]=4 359 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)Cl MCULE-6159323768 [2,0,0,0,0,0|1,0,1]=4 360 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)F MCULE-9091982861 [2,0,0,0,0,0|1,0,1]=4 361 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)I MCULE-2135790605 [2,0,0,0,0,0|1,0,1]=4 362 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)N MCULE-6822977970 [2,0,0,0,0,0|0,0,1]=3 363 B13R1.17 C=CCOC(=O)C1=CC=C(C=C1)N MCULE-1176851943 [2,0,0,0,0,0|1,0,1]=4 364 B13R1.17 C=CCOC(=O)C1=CC=C(C=C1)N MCULE-2593741292 [2,0,0,0,0,0|1,0,1]=4 365 B13R1.17 CC1=CC=C(C=C1)C(=O)NCCBr MCULE-5836982228 [2,0,0,0,0,0|2,0,0]=4 366 B13R1.17 CC1=CC=C(C=C1)C(=O)NCCN MCULE-2699123284 [2,0,0,0,0,0|2,0,0]=4 367 B13R1.17 CC1=CC=C(C=C1)C(=O)NCCN MCULE-8511887624 [2,0,0,0,0,0|2,0,0]=4 368 B13R1.17 CC1=CC=C(C=C1)C(=O)NCCO MCULE-3906103968 [2,0,0,0,0,0|1,0,0]=3 369 B13R1.17 CC1=CC=C(C=C1)C(=O)NNC=O MCULE-5549325082 [2,0,0,0,0,0|2,0,0]=4 370 B13R1.17 CC1=CC=C(C=C1)C(=O)OCCO MCULE-5691796269 [2,0,0,0,0,0|2,0,0]=4 371 B13R1.17 CC1=CC=C(C=C1)C(=S)NCCO MCULE-1056864992 [2,0,0,0,0,0|1,1,0]=4 372 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)Br MCULE-9692314940 [2,0,0,0,0,0|1,0,1]=4 373 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)Cl MCULE-6329546848 [2,0,0,0,0,0|1,0,1]=4 374 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)F MCULE-8740057865 [2,0,0,0,0,0|1,0,1]=4 375 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)I MCULE-3701850425 [2,0,0,0,0,0|1,0,1]=4 376 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)N MCULE-5815494986 [2,0,0,0,0,0|0,0,1]=3 377 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)N MCULE-8712333316 [2,0,0,0,0,0|0,0,1]=3 378 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)O MCULE-5121820365 [2,0,0,0,0,0|1,0,1]=4 379 B13R1.17 CCCNC(=O)C1=CC=C(C=N1)N MCULE-1911761852 [2,0,0,0,0,0|1,0,1]=4 380 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)N MCULE-6772531694 [2,0,0,0,0,0|1,0,1]=4 381 B13R1.17 C[N+]1=CC=C(C=C1)C(=O)NCCO MCULE-1398768655 [2,0,0,0,0,0|2,0,0]=4 382 B13R1.17 C[N+]1=CC=C(C=C1)C(=O)NCCO MCULE-3496366957 [2,0,0,0,0,0|2,0,0]=4 383 B13R1.17 NC1=CC=C(C=C1)C(=O)CCCO MCULE-9898464704 [2,0,0,0,0,0|0,0,1]=3 384 B13R1.17 NC1=CC=C(C=C1)C(=O)NCCO MCULE-5033566443 [2,0,0,0,0,0|0,0,0]=2 385 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Br MCULE-9844853864 [2,0,0,0,0,0|2,0,0]=4 386 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Cl MCULE-5299854133 [2,0,0,0,0,0|2,0,0]=4 387 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Cl MCULE-9707600472 [2,0,0,0,0,0|2,0,0]=4 388 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)F MCULE-5596124290 [2,0,0,0,0,0|2,0,0]=4 389 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)F MCULE-7504110548 [2,0,0,0,0,0|2,0,0]=4 390 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)I MCULE-2979320192 [2,0,0,0,0,0|2,0,0]=4 391 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)I MCULE-8314851352 [2,0,0,0,0,0|2,0,0]=4 392 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)O MCULE-2165270890 [2,0,0,0,0,0|2,0,0]=4 393 B13R1.17 O=C(NCCBr)C1=CC=C(C=C1)Cl MCULE-5290574461 [2,0,0,0,0,0|2,0,0]=4 394 B13R1.17 O=C(NCCBr)C1=CC=C(C=C1)F MCULE-8664700705 [2,0,0,0,0,0|2,0,0]=4 395 B13R1.17 O=C(NCCCl)C1=CC=C(C=C1)F MCULE-3255954066 [2,0,0,0,0,0|2,0,0]=4 396 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)Br MCULE-2927247131 [2,0,0,0,0,0|1,0,0]=3 397 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)Cl MCULE-4415335034 [2,0,0,0,0,0|1,0,0]=3 398 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)I MCULE-2368883640 [2,0,0,0,0,0|1,0,0]=3 399 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)O MCULE-5006808018 [2,0,0,0,0,0|1,0,0]=3 400 B13R1.17 O=C(NCCS)C1=CC=C(C=C1)Cl MCULE-9496695779 [2,0,0,0,0,0|1,1,0]=4 401 B13R1.17 O=C(OCCO)C1=CC=C(C=C1)O MCULE-7337278426 [2,0,0,0,0,0|2,0,0]=4 402 B13R1.24 C#CCCNC(=O)C1=CC=CC=C1 MCULE-2131865120 [2,0,0,0,0,0|1,0,1]=4 403 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 MCULE-5296146653 [2,0,0,0,0,0|2,0,0]=4 404 B13R1.24 C=CCONC(=O)C1=CC=CC=C1 MCULE-9475248644 [2,0,0,0,0,0|2,0,0]=4 405 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 MCULE-8546561963 [2,0,0,0,0,0|1,0,1]=4 406 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 MCULE-2656026718 [2,0,0,0,0,0|1,0,1]=4 407 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 MCULE-4255381995 [2,0,0,0,0,0|1,0,1]=4 408 B13R1.24 O=C(NCCCO)C1=CC=NC=C1 MCULE-3270586918 [2,0,0,0,0,0|1,0,1]=4 409 B13R1.24 O=C(NOCCO)C1=CC=CC=C1 MCULE-4416462259 [2,0,0,0,0,0|1,0,1]=4 410 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 MCULE-8260778602 [2,0,0,0,0,0|1,0,1]=4 411 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 MCULE-9536977701 [2,0,0,0,0,0|1,0,1]=4 412 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 MCULE-8073483780 [2,0,0,0,0,0|1,0,1]=4 413 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 MCULE-9028611191 [2,0,0,0,0,0|1,0,1]=4 414 B13R1.337 O=C(O)CCC=CC1=CC=CC=C1 MCULE-6627837769 [2,0,0,0,0,0|1,0,0]=3 415 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 MCULE-5972199258 [2,0,0,0,0,0|1,0,1]=4 416 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 MCULE-6034181156 [2,0,0,0,0,0|2,0,0]=4 417 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 MCULE-1194220261 [2,0,0,0,0,0|2,0,0]=4 418 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 MCULE-5490248981 [2,0,0,0,0,0|0,0,1]=3 419 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 MCULE-6898264010 [2,0,0,0,0,0|0,0,1]=3 420 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 MCULE-5458303138 [2,0,0,0,0,0|1,0,1]=4 421 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 MCULE-6446559907 [2,0,0,0,0,0|1,0,1]=4 422 B13R1.337 O=C(O)CCNCC1=CN=CC=C1 MCULE-1907234654 [2,0,0,0,0,0|1,0,1]=4 423 B13R1.337 O=C(O)CCNCC1=CN=CC=C1 MCULE-4296376049 [2,0,0,0,0,0|1,0,1]=4 424 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 MCULE-4971336683 [2,0,0,0,0,0|1,0,1]=4 425 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 MCULE-5832105156 [2,0,0,0,0,0|1,0,1]=4 426 B13R1.337 O=C(O)CCNSC1=CC=CC=C1 MCULE-5956865457 [2,0,0,0,0,0|1,0,0]=3 427 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 MCULE-6896886697 [2,0,0,0,0,0|1,0,1]=4 428 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 MCULE-5162976213 [2,0,0,0,0,0|1,0,1]=4 429 B13R1.337 O=C(O)CON=CC1=CC=CC=C1 MCULE-8613084644 [2,0,0,0,0,0|1,0,1]=4 430 B13R1.337 O=C(O)CSC=CC1=CC=CC=C1 MCULE-5673313207 [2,0,0,0,0,0|2,0,0]=4 431 B15R1.30 COCCCNC(=O)C1=CC=C(C=C1)Br MCULE-3712480647 [1,1,0,0,0,0|1,0,1]=4 432 B15R1.30 COCCCNC(=O)C1=CC=C(C=C1)C MCULE-3479635590 [1,1,0,0,0,0|1,0,1]=4 433 B15R1.30 COCCCNC(=O)C1=CC=C(C=C1)Cl MCULE-4338287313 [1,1,0,0,0,0|1,0,1]=4 434 B15R1.30 COCCCNC(=O)C1=CC=C(C=C1)F MCULE-5856442227 [1,1,0,0,0,0|1,0,1]=4 435 B15R1.30 COCCCNC(=O)C1=CC=C(C=C1)I MCULE-1019185299 [1,1,0,0,0,0|1,0,1]=4 436 B15R1.30 COCCCNC(=O)C1=CC=C(C=C1)N MCULE-4955812701 [1,1,0,0,0,0|0,0,1]=3 437 B15R1.30 O=C(NCCCCO)C1=CC=C(C=C1)Br MCULE-3250676218 [1,1,0,0,0,0|1,0,1]=4 438 B15R1.38 NC1=CC=C(C=C1)S(=O)(=O)NCCCO MCULE-6976851142 [1,1,0,0,0,0|1,0,1]=4 439 B15R1.132 NC1=CC=C(C=C1)C(=O)OCC(O)CO MCULE-5691553637 [1,1,0,0,0,0|1,0,1]=4 440 B15R1.132 O=C(NCC(O)CO)C1=CC=C(C=C1)O MCULE-7666752433 [1,1,0,0,0,0|1,0,1]=4 441 B15R1.1389 CCCCNC(=O)C1=CC=C(C=C1)CN MCULE-9664978017 [1,1,0,0,0,0|1,0,1]=4 442 B15R1.1389 CCCCNC(=O)C1=CC=C(C=C1)CN MCULE-9888920631 [1,1,0,0,0,0|1,0,1]=4 443 B15R1.1389 COCCNC(=O)C1=CC=C(C=C1)CN MCULE-1805395112 [1,1,0,0,0,0|2,0,0]=4 444 B15R1.1389 COCCNC(=O)C1=CC=C(C=C1)CN MCULE-7072556176 [1,1,0,0,0,0|2,0,0]=4 445 B15R1.1404 C#CCCNC(=O)C1=CC=C(C(=C1)N)N MCULE-1711825081 [1,1,0,0,0,0|1,0,1]=4 446 B15R1.1404 CC1=C(C=C(C=C1)C(=O)NCCCO)C MCULE-5318828517 [1,1,0,0,0,0|1,0,1]=4 447 B15R1.1404 COCCNC(=O)C1=CC(=C(C=C1)N)C MCULE-1961092873 [1,1,0,0,0,0|2,0,0]=4 448 B15R1.1404 COCCNC(=O)C1=CC(=C(C=C1)N)C MCULE-2475092940 [1,1,0,0,0,0|2,0,0]=4 449 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)N)Cl MCULE-6178838734 [1,1,0,0,0,0|2,0,0]=4 450 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)N)Cl MCULE-6274143962 [1,1,0,0,0,0|2,0,0]=4 451 B15R1.3309 COCCNC(=O)C1=CC=C(C=C1Br)N MCULE-7866675107 [1,1,0,0,0,0|2,0,0]=4 452 B15R1.3309 COCCNC(=O)C1=CC=C(C=C1C)N MCULE-7315643182 [1,1,0,0,0,0|2,0,0]=4 453 B15R1.3309 COCCNC(=O)C1=CC=C(C=C1O)N MCULE-2675732990 [1,1,0,0,0,0|2,0,0]=4 454 B15R1.3309 O=C(NCCCO)C1=C(C=C(C=C1)Cl)Cl MCULE-9777293097 [1,1,0,0,0,0|1,0,1]=4 455 B15R1.490 NC(=O)CCNS(=O)(=O)C1=CC=CC=C1 MCULE-9942135192 [1,1,0,0,0,0|2,0,0]=4 456 B15R1.490 O=C(O)CCCS(=O)(=O)C1=CC=CC=C1 MCULE-4386409300 [1,1,0,0,0,0|2,0,0]=4 457 B15R1.490 O=C(O)CCNS(=O)(=O)C1=CC=CC=C1 MCULE-3500679357 [1,1,0,0,0,0|1,0,0]=3 458 B15R1.490 O=C(O)CCNS(=O)(=O)C1=CN=CC=C1 MCULE-1262747538 [1,1,0,0,0,0|2,0,0]=4 459 B15R1.500 CC(=NNC(=O)C1=CC=CC=C1)C(=O)O MCULE-5350244573 [1,1,0,0,0,0|1,0,1]=4 460 B15R1.500 CC(CNC(=O)C1=CC=CC=C1)C(=S)N MCULE-2351036292 [1,1,0,0,0,0|1,1,0]=4 461 B15R1.500 CC(CNC(C)C1=CC=CC=C1)C(=O)O MCULE-8792732580 [1,1,0,0,0,0|1,0,1]=4 462 B15R1.500 CC(CSC(=O)C1=CC=CC=C1)C(=O)O MCULE-9308182384 [1,1,0,0,0,0|1,0,0]=3 463 B15R1.500 CC(SCC(=O)C1=CC=CC=C1)C(=O)O MCULE-5661600986 [1,1,0,0,0,0|2,0,0]=4 464 B15R1.500 C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)O MCULE-1408376648 [1,1,0,0,0,0|1,0,0]=3 465 B15R1.500 C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)O MCULE-7902641652 [1,1,0,0,0,0|1,0,0]=3 466 B15R1.500 NC(CCC(=O)C1=CC=CC=C1)C(=O)O MCULE-3072103469 [1,1,0,0,0,0|1,0,0]=3 467 B15R1.959 CNC(=O)CCNC(=O)C1=CC=CC=C1 MCULE-9752115507 [1,1,0,0,0,0|1,0,0]=3 468 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 MCULE-3192802776 [1,1,0,0,0,0|1,0,0]=3 469 B15R1.959 COC(=O)CCNC(=O)C1=CC=CC=C1 MCULE-3823555820 [1,1,0,0,0,0|0,0,0]=2 470 B15R1.959 COC(=O)CCNC(C)C1=CC=CC=C1 MCULE-5727976612 [1,1,0,0,0,0|1,0,1]=4 471 B15R1.959 COC(=O)CCNC(C)C1=CC=CC=C1 MCULE-8543080159 [1,1,0,0,0,0|1,0,1]=4 472 B15R1.959 COC(=O)CONC(=O)C1=CC=CC=C1 MCULE-1880667841 [1,1,0,0,0,0|1,0,0]=3 473 B15R1.959 NNC(=O)CCNC(=O)C1=CC=CC=C1 MCULE-8034599714 [1,1,0,0,0,0|1,0,0]=3 474 B15R1.1076 CC(CC(=O)O)CC(=O)C1=CC=CC=C1 MCULE-2605000559 [1,1,0,0,0,0|1,0,0]=3 475 B15R1.1076 CC(CC(=O)O)NC(=O)C1=CC=CC=C1 MCULE-6234387680 [1,1,0,0,0,0|0,0,0]=2 476 B15R1.1076 CC(CC(=O)O)NC(C)C1=CC=CC=C1 MCULE-2852133153 [1,1,0,0,0,0|1,0,1]=4 477 B15R1.1078 CC(CCC(=O)N)C(=O)C1=CC=CC=C1 MCULE-7320292788 [1,1,0,0,0,0|2,0,0]=4 478 B15R1.1078 CC(CCC(=O)O)C(=O)C1=CC=CC=C1 MCULE-2210666188 [1,1,0,0,0,0|1,0,0]=3 479 B15R1.1078 O=C(O)CSC(O)C(=O)C1=CC=CC=C1 MCULE-4164250568 [1,1,0,0,0,0|2,0,0]=4 480 B15R1.8019 CC1=C(C=CC=C1)C(=O)CCCC(=O)O MCULE-8627095197 [1,1,0,0,0,0|1,0,0]=3 481 B15R1.8019 CC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-2620024877 [1,1,0,0,0,0|0,0,0]=2 482 B15R1.8019 CC1=CC=CC=C1C(=O)CSCC(=O)O MCULE-4379850028 [1,1,0,0,0,0|2,0,0]=4 483 B15R1.8019 NC(=O)CCNC(=O)C1=C(C=CC=C1)N MCULE-5824849409 [1,1,0,0,0,0|1,0,0]=3 484 B15R1.8019 NC(=O)CCNC(=O)C1=CC=CC=C1Cl MCULE-1012949600 [1,1,0,0,0,0|1,0,0]=3 485 B15R1.8019 NC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-2778673340 [1,1,0,0,0,0|0,0,0]=2 486 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)Br MCULE-6254117035 [1,1,0,0,0,0|1,0,0]=3 487 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)Cl MCULE-3103349432 [1,1,0,0,0,0|1,0,0]=3 488 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)F MCULE-9757131659 [1,1,0,0,0,0|1,0,0]=3 489 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)I MCULE-1920834995 [1,1,0,0,0,0|1,0,0]=3 490 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)Br MCULE-3840784923 [1,1,0,0,0,0|0,0,0]=2 491 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)F MCULE-2285078721 [1,1,0,0,0,0|0,0,0]=2 492 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)O MCULE-9964432323 [1,1,0,0,0,0|0,0,0]=2 493 B15R1.8019 O=C(O)CCNC(=O)C1=CC=CC=C1Cl MCULE-5544728437 [1,1,0,0,0,0|0,0,0]=2 494 B15R1.8273 CC1=CC(=CC=C1)C(=O)NCCC(=O)O MCULE-6902095622 [1,1,0,0,0,0|0,0,0]=2 495 B15R1.8273 CC1=CC=CC(=C1)C(=O)CCCC(=O)O MCULE-9661080554 [1,1,0,0,0,0|1,0,0]=3 496 B15R1.8273 CC1=CC=CC(=C1)C(=O)CSCC(=O)O MCULE-2122353381 [1,1,0,0,0,0|2,0,0]=4 497 B15R1.8273 NC(=O)CCNC(=O)C1=CC(=CC=C1)N MCULE-8115113089 [1,1,0,0,0,0|1,0,0]=3 498 B15R1.8273 NC(=O)CCNC(=O)C1=CC(=CC=C1)N MCULE-9392148763 [1,1,0,0,0,0|1,0,0]=3 499 B15R1.8273 NC1=CC(=CC=C1)C(=O)NCCC(=O)O MCULE-5093249085 [1,1,0,0,0,0|0,0,0]=2 500 B15R1.8273 O=C(O)CCCC(=O)C1=CC(=CC=C1)Br MCULE-5080438952 [1,1,0,0,0,0|1,0,0]=3 501 B15R1.8273 O=C(O)CCCC(=O)C1=CC(=CC=C1)Cl MCULE-2986776900 [1,1,0,0,0,0|1,0,0]=3 502 B15R1.8273 O=C(O)CCCC(=O)C1=CC(=CC=C1)F MCULE-1335665437 [1,1,0,0,0,0|1,0,0]=3 503 B15R1.8273 O=C(O)CCCC(=O)C1=CC(=CC=C1)I MCULE-5794895362 [1,1,0,0,0,0|1,0,0]=3 504 B15R1.8273 O=C(O)CCNC(=O)C1=CC=CC(=C1)Br MCULE-9691898532 [1,1,0,0,0,0|0,0,0]=2 505 B15R1.8273 O=C(O)CCNC(=O)C1=CC=CC(=C1)Cl MCULE-3489327125 [1,1,0,0,0,0|0,0,0]=2 506 B15R1.8273 O=C(O)CCNC(=O)C1=CN=CC(=C1)Br MCULE-8399219826 [1,1,0,0,0,0|1,0,0]=3 507 B15R1.8273 O=C(O)CCNC(=O)C1=CN=CC(=C1)O MCULE-5832738374 [1,1,0,0,0,0|1,0,0]=3 508 B15R1.8273 O=C(O)CCNC(=O)C1=NC=CC(=C1)Cl MCULE-6691224690 [1,1,0,0,0,0|1,0,0]=3 509 B15R1.8273 O=C(O)CSCC(=O)C1=CC=CC(=C1)Cl MCULE-4750374095 [1,1,0,0,0,0|2,0,0]=4 510 B15R1.8273 O=C(O)CSCC(=O)C1=CC=CC(=C1)F MCULE-9528180197 [1,1,0,0,0,0|2,0,0]=4 511 B15R1.9094 O=C(NCCS(=O)(=O)O)C1=CN=CC=C1 MCULE-1297875773 [1,1,0,0,0,0|2,0,0]=4 512 B15R1.9094 [NH+]1=CC=CC(=C1)C(=O)NCCS(=O)(=O)O MCULE-7694138483 [1,1,0,0,0,0|2,0,0]=4 513 B15R1.4 COC1=CC=C(C=C1)CNCCC(=O)O MCULE-1595133752 [1,1,0,0,0,0|1,0,1]=4 514 B15R1.4 COC1=CC=C(C=C1)CNCCC(=O)O MCULE-3472109308 [1,1,0,0,0,0|1,0,1]=4 515 B15R1.4 CSC1=CC=C(C=C1)CNCCC(=O)O MCULE-2392327043 [1,1,0,0,0,0|1,0,1]=4 516 B15R1.4 CSC1=CC=C(C=C1)CNCCC(=O)O MCULE-8478278363 [1,1,0,0,0,0|1,0,1]=4 517 B15R1.26 COC(=O)CCCOC1=CC=C(C=C1)N MCULE-1118363391 [1,1,0,0,0,0|2,0,0]=4 518 B15R1.26 COC(=O)CCCOC1=CC=C(C=C1)N MCULE-5443004499 [1,1,0,0,0,0|2,0,0]=4 519 B15R1.111 NC1=CC=C(C=C1)NC(=O)CCC(=O)O MCULE-6270210041 [1,1,0,0,0,0|2,0,0]=4 520 B15R1.888 NC1=C(C=C(C=C1)OCCCC(=O)O)N MCULE-6409711881 [1,1,0,0,0,0|2,0,0]=4 521 B15R1.5821 O=C(O)CCNCC1=C(C=C(C=C1)Cl)Cl MCULE-1146077811 [1,1,0,0,0,0|1,0,1]=4 522 B15R1.5821 O=C(O)CCNCC1=C(C=C(C=C1)Cl)Cl MCULE-4226992432 [1,1,0,0,0,0|1,0,1]=4 523 B15R1.5 CCC1=CC=C(C=C1)C(=O)CCC(=O)Cl MCULE-4267756496 [0,1,0,0,1,0|2,0,0]=4 524 B15R1.5 CCC1=CC=C(C=C1)C(=O)CCC(=O)O MCULE-4697833857 [0,1,0,0,1,0|1,0,0]=3 525 B15R1.5 CCC1=CC=C(C=C1)C(=O)NCC(=O)O MCULE-9702485640 [0,1,0,0,1,0|1,0,0]=3 526 B15R1.5 COC1=CC=C(C=C1)C(=O)CCC(=O)O MCULE-3381867306 [0,1,0,0,1,0|1,0,0]=3 527 B15R1.5 COC1=CC=C(C=C1)C(=O)NCC(=O)N MCULE-8294224146 [0,1,0,0,1,0|2,0,0]=4 528 B15R1.5 COC1=CC=C(C=C1)C(=O)NCC(=O)O MCULE-1655963257 [0,1,0,0,1,0|1,0,0]=3 529 B15R1.5 COC1=CC=C(C=C1)C(=O)SCC(=O)O MCULE-3153098153 [0,1,0,0,1,0|2,0,0]=4 530 B15R1.5 COC1=NC=C(C=C1)C(=O)CCC(=O)O MCULE-1427143220 [0,1,0,0,1,0|2,0,0]=4 531 B15R1.5 CSC1=CC=C(C=C1)C(=O)CCC(=O)C MCULE-7008833594 [0,1,0,0,1,0|2,0,0]=4 532 B15R1.5 CSC1=CC=C(C=C1)C(=O)CCC(=O)O MCULE-5565505791 [0,1,0,0,1,0|1,0,0]=3 533 B15R1.5 N#CC1=CC=C(C=C1)C(=O)NCC(=O)O MCULE-1613518420 [0,1,0,0,1,0|0,0,1]=3 534 B15R1.5 NCC1=CC=C(C=C1)C(=O)NCC(=O)N MCULE-2077993182 [0,1,0,0,1,0|1,0,0]=3 535 B15R1.880 CC(CC(=O)O)C(=O)C1=CC=C(C=C1)Cl MCULE-6541216717 [0,1,0,0,1,0|1,0,0]=3 536 B15R1.880 CC(CC(=O)O)C(=O)C1=CC=C(C=C1)N MCULE-5065491703 [0,1,0,0,1,0|0,0,0]=2 537 B15R1.880 CC(CC(=O)O)C(=O)C1=CC=C(C=C1)N MCULE-6600160363 [0,1,0,0,1,0|0,0,0]=2 538 B15R1.880 CC1=CC=C(C=C1)C(=O)N(C)CC(=O)O MCULE-4021357048 [0,1,0,0,1,0|1,0,0]=3 539 B15R1.880 CN(CC(=O)O)C(=O)C1=CC=C(C=C1)Cl MCULE-2189840922 [0,1,0,0,1,0|1,0,0]=3 540 B15R1.880 CN(CC(=O)O)C(=O)C1=CC=C(C=C1)F MCULE-1652718666 [0,1,0,0,1,0|1,0,0]=3 541 B15R1.880 CN(CC(=O)O)C(=O)C1=CC=C(C=C1)N MCULE-7915139922 [0,1,0,0,1,0|0,0,0]=2 542 B15R1.880 O=C(O)CC(Br)C(=O)C1=CC=C(C=C1)Cl MCULE-9955015468 [0,1,0,0,1,0|1,0,0]=3 543 B15R1.880 O=C(O)CC(Br)C(=O)C1=CC=C(C=C1)F MCULE-5804333755 [0,1,0,0,1,0|1,0,0]=3 544 B15R1.881 C=C(CC(=O)C1=CC=C(C=C1)C)C(=O)O MCULE-4896817843 [0,1,0,0,1,0|1,0,1]=4 545 B15R1.881 CC(CC(=O)C1=CC=C(C=C1)Cl)C(=O)O MCULE-7143047529 [0,1,0,0,1,0|1,0,0]=3 546 B15R1.881 CC(CC(=O)C1=CC=C(C=C1)F)C(=O)O MCULE-3594345162 [0,1,0,0,1,0|1,0,0]=3 547 B15R1.881 CC(NC(=O)C1=CC=C(C=C1)Br)C(=O)O MCULE-7508923759 [0,1,0,0,1,0|1,0,0]=3 548 B15R1.881 CC(NC(=O)C1=CC=C(C=C1)Cl)C(=O)O MCULE-9436670033 [0,1,0,0,1,0|1,0,0]=3 549 B15R1.881 CC(NC(=O)C1=CC=C(C=C1)F)C(=O)O MCULE-7242183640 [0,1,0,0,1,0|1,0,0]=3 550 B15R1.881 CC1=CC=C(C=C1)C(=O)CC(N)C(=O)O MCULE-2950308722 [0,1,0,0,1,0|1,0,0]=3 551 B15R1.881 CC1=CC=C(C=C1)C(=O)NC(C)C(=O)O MCULE-9059881719 [0,1,0,0,1,0|1,0,0]=3 552 B15R1.881 C[C@@H](NC(=O)C1=CC=C(C=N1)Br)C(=O)O MCULE-6595802935 [0,1,0,0,1,0|2,0,0]=4 553 B15R1.881 O=C(O)C(=O)CC(=O)C1=CC=C(C=C1)Cl MCULE-8058501872 [0,1,0,0,1,0|1,0,1]=4 554 B15R1.889 CC1=C(C=C(C=C1)C(=O)CCC(=O)O)Br MCULE-5952023730 [0,1,0,0,1,0|1,0,0]=3 555 B15R1.889 CC1=C(C=C(C=C1)C(=O)CCC(=O)O)C MCULE-9452379099 [0,1,0,0,1,0|1,0,0]=3 556 B15R1.889 CC1=C(C=C(C=C1)C(=O)CCC(=O)O)F MCULE-2773603622 [0,1,0,0,1,0|1,0,0]=3 557 B15R1.889 CC1=C(C=C(C=C1)C(=O)NCC(=O)N)N MCULE-7276411132 [0,1,0,0,1,0|2,0,0]=4 558 B15R1.889 CC1=C(C=C(C=C1)C(=O)NCC(=O)O)C MCULE-4573253453 [0,1,0,0,1,0|1,0,0]=3 559 B15R1.889 CC1=C(C=C(C=C1)C(=O)NCC(=O)O)F MCULE-7175175995 [0,1,0,0,1,0|1,0,0]=3 560 B15R1.889 CC1=C(C=CC(=C1)C(=O)CCC(=O)O)Cl MCULE-7864954373 [0,1,0,0,1,0|1,0,0]=3 561 B15R1.889 CC1=C(C=CC(=C1)C(=O)NCC(=O)O)I MCULE-1198828494 [0,1,0,0,1,0|1,0,0]=3 562 B15R1.889 CC1=CC(=CC=C1F)C(=O)CCC(=O)O MCULE-2713515464 [0,1,0,0,1,0|1,0,0]=3 563 B15R1.889 CC1=CC=C(C=C1Cl)C(=O)CCC(=O)O MCULE-7750813375 [0,1,0,0,1,0|1,0,0]=3 564 B15R1.889 CC1=CC=C(C=C1Cl)C(=O)NCC(=O)O MCULE-8807360535 [0,1,0,0,1,0|1,0,0]=3 565 B15R1.889 NC1=CC=C(C=C1N)C(=O)CCC(=O)O MCULE-3244856219 [0,1,0,0,1,0|0,0,0]=2 566 B15R1.889 O=C(O)CCC(=O)C1=CC(=C(C=C1)Cl)F MCULE-8296103858 [0,1,0,0,1,0|1,0,0]=3 567 B15R1.889 O=C(O)CCC(=O)C1=CC(=C(C=C1)F)Cl MCULE-6296090257 [0,1,0,0,1,0|1,0,0]=3 568 B15R1.889 O=C(O)CCC(=O)C1=CC(=C(C=C1)F)F MCULE-3281805361 [0,1,0,0,1,0|1,0,0]=3 569 B15R1.889 O=C(O)CCC(=O)C1=CC=C(C(=C1)Cl)Cl MCULE-4636616736 [0,1,0,0,1,0|1,0,0]=3 570 B15R1.889 O=C(O)CNC(=O)C1=CC(=C(C=C1)F)F MCULE-8526665367 [0,1,0,0,1,0|1,0,0]=3 571 B15R1.889 O=C(O)CNC(=O)C1=CC(=C(N=C1)Cl)Cl MCULE-7621533239 [0,1,0,0,1,0|2,0,0]=4 572 B15R1.889 O=C(O)CNC(=O)C1=CC=C(C(=C1)Cl)Cl MCULE-2537478494 [0,1,0,0,1,0|1,0,0]=3 573 B15R1.903 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O MCULE-8182609599 [0,1,0,0,1,0|2,0,0]=4 574 B15R1.903 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O MCULE-2817141186 [0,1,0,0,1,0|2,0,0]=4 575 B15R1.903 NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O MCULE-1053830165 [0,1,0,0,1,0|1,0,0]=3 576 B15R1.903 NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O MCULE-5336659492 [0,1,0,0,1,0|1,0,0]=3 577 B15R1.903 O=C(O)CCS(=O)(=O)C1=CC=C(C=C1)Br MCULE-5251423984 [0,1,0,0,1,0|2,0,0]=4 578 B15R1.903 O=C(O)CCS(=O)(=O)C1=CC=C(C=C1)Cl MCULE-4250873297 [0,1,0,0,1,0|2,0,0]=4 579 B15R1.903 O=C(O)CCS(=O)(=O)C1=CC=C(C=C1)F MCULE-2669157026 [0,1,0,0,1,0|2,0,0]=4 580 B15R1.903 O=C(O)CNS(=O)(=O)C1=CC=C(C=C1)Br MCULE-9814832921 [0,1,0,0,1,0|2,0,0]=4 581 B15R1.903 O=C(O)CNS(=O)(=O)C1=CC=C(C=C1)Cl MCULE-1845429024 [0,1,0,0,1,0|2,0,0]=4 582 B15R1.903 O=C(O)CNS(=O)(=O)C1=CC=C(C=C1)F MCULE-8769444123 [0,1,0,0,1,0|2,0,0]=4 583 B15R1.903 O=C(O)CNS(=O)(=O)C1=CC=C(C=C1)I MCULE-7938118510 [0,1,0,0,1,0|2,0,0]=4 584 B15R1.5822 CC1=C(C=CC(=C1)Br)C(=O)CCC(=O)O MCULE-3365320987 [0,1,0,0,1,0|1,0,0]=3 585 B15R1.5822 CC1=C(C=CC(=C1)Cl)C(=O)CCC(=O)O MCULE-9904729684 [0,1,0,0,1,0|1,0,0]=3 586 B15R1.5822 CC1=C(C=CC(=C1)F)C(=O)CCC(=O)O MCULE-7844028354 [0,1,0,0,1,0|1,0,0]=3 587 B15R1.5822 CC1=CC(=C(C=C1)C(=O)CCC(=O)O)C MCULE-1217203099 [0,1,0,0,1,0|1,0,0]=3 588 B15R1.5822 CC1=CC(=C(C=C1)C(=O)CCC(=O)O)O MCULE-2144936141 [0,1,0,0,1,0|1,0,0]=3 589 B15R1.5822 CC1=CC(=C(C=C1)C(=O)NCC(=O)O)C MCULE-4705141518 [0,1,0,0,1,0|1,0,0]=3 590 B15R1.5822 CC1=CC(=CC=C1C(=O)CCC(=O)O)O MCULE-8830180430 [0,1,0,0,1,0|1,0,0]=3 591 B15R1.5822 NC1=CC(=C(C=C1)C(=O)NCC(=O)O)Cl MCULE-9728589314 [0,1,0,0,1,0|0,0,0]=2 592 B15R1.5822 O=C(O)CCC(=O)C1=C(C=C(C=C1)Cl)F MCULE-9161187984 [0,1,0,0,1,0|1,0,0]=3 593 B15R1.5822 O=C(O)CCC(=O)C1=C(C=C(C=C1)F)Cl MCULE-3424416401 [0,1,0,0,1,0|1,0,0]=3 594 B15R1.5822 O=C(O)CCC(=O)C1=C(C=C(C=C1)F)F MCULE-6392169917 [0,1,0,0,1,0|1,0,0]=3 595 B15R1.5822 O=C(O)CCC(=O)C1=CC=C(C=C1Cl)Cl MCULE-9044267496 [0,1,0,0,1,0|1,0,0]=3 596 B15R1.5822 O=C(O)CNC(=O)C1=C(C=C(C=C1)F)Cl MCULE-1796326683 [0,1,0,0,1,0|1,0,0]=3 597 B15R1.5822 O=C(O)CNC(=O)C1=C(C=C(C=C1)F)F MCULE-6711985990 [0,1,0,0,1,0|1,0,0]=3 598 B15R1.5822 O=C(O)CNC(=O)C1=CC=C(C=C1Cl)Cl MCULE-1446047797 [0,1,0,0,1,0|1,0,0]=3 599 B15R1.5822 O=C(O)CNC(=O)C1=CC=C(C=C1F)Cl MCULE-5024817649 [0,1,0,0,1,0|1,0,0]=3 600 B15R1.5822 O=C(O)CNC(=O)C1=NC=C(C=C1O)O MCULE-9899712511 [0,1,0,0,1,0|2,0,0]=4 601 B17R1.239 CCC1=CC=C(C=C1)C(=O)CCCCC(=O)O MCULE-9733896512 [0,1,0,0,0,1|2,0,0]=4 602 B17R1.239 CCC1=CC=C(C=C1)C(=O)CCNCC(=O)O MCULE-4869149235 [0,1,0,0,0,1|2,0,0]=4 603 B17R1.239 COC1=CC=C(C=C1)C(=O)CCCCC(=O)O MCULE-8192823409 [0,1,0,0,0,1|2,0,0]=4 604 B17R1.239 COC1=CC=C(C=C1)C(=O)CCNCC(=O)O MCULE-1075293476 [0,1,0,0,0,1|2,0,0]=4 605 B17R1.239 COC1=CC=C(C=C1)C(=O)NCCCC(=O)O MCULE-8616420846 [0,1,0,0,0,1|1,0,0]=3 606 B17R1.239 CSC1=CC=C(C=C1)C(=O)CCCCC(=O)O MCULE-7875007736 [0,1,0,0,0,1|2,0,0]=4 607 B17R1.1060 O=C(O)CCC(=O)CC(=O)C1=CC=C(C=C1)Cl MCULE-4723342285 [0,1,0,0,0,1|2,0,0]=4 608 B17R1.1061 CC(NCCC(=O)C1=CC=C(C=C1)Cl)C(=O)O MCULE-7011105324 [0,1,0,0,0,1|2,0,0]=4 609 B17R1.1085 CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)O MCULE-4691715702 [0,1,0,0,0,1|2,0,0]=4 610 B17R1.1085 NC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)O MCULE-5459162984 [0,1,0,0,0,1|1,0,0]=3 611 B17R1.1085 O=C(O)CCCNS(=O)(=O)C1=CC=C(C=C1)Br MCULE-3744993334 [0,1,0,0,0,1|2,0,0]=4 612 B17R1.1085 O=C(O)CCCNS(=O)(=O)C1=CC=C(C=C1)Cl MCULE-7273725467 [0,1,0,0,0,1|2,0,0]=4 613 B17R1.1085 O=C(O)CCCNS(=O)(=O)C1=CC=C(C=C1)F MCULE-4397348267 [0,1,0,0,0,1|2,0,0]=4 614 B17R1.1085 O=C(O)CCCNS(=O)(=O)C1=CC=C(C=C1)I MCULE-2243996575 [0,1,0,0,0,1|2,0,0]=4 615 B17R1.1146 CC1=C(C=C(C=C1)C(=O)CCCCC(=O)O)Br MCULE-6263358759 [0,1,0,0,0,1|2,0,0]=4 616 B17R1.1146 CC1=C(C=C(C=C1)C(=O)CCCCC(=O)O)C MCULE-3241391126 [0,1,0,0,0,1|2,0,0]=4 617 B17R1.1146 O=C(O)CCCCC(=O)C1=CC(=C(C=C1)Cl)Cl MCULE-4959066003 [0,1,0,0,0,1|2,0,0]=4 618 B17R1.1146 O=C(O)CCCCC(=O)C1=CC(=C(C=C1)F)F MCULE-7493570329 [0,1,0,0,0,1|2,0,0]=4 619 B17R1.1146 O=C(O)CCCNC(=O)C1=CC(=C(C=C1)Cl)Cl MCULE-7933227472 [0,1,0,0,0,1|1,0,0]=3 620 B17R1.1185 COC(=O)CCCCC(=O)C1=CC=C(C=C1)C MCULE-9110012536 [0,1,0,0,0,1|2,0,0]=4 621 B17R1.1185 COC(=O)CCCCC(=O)C1=CC=C(C=C1)Cl MCULE-3690439329 [0,1,0,0,0,1|2,0,0]=4 622 B17R1.1185 COC(=O)CCCCC(=O)C1=CC=C(C=C1)F MCULE-1231631773 [0,1,0,0,0,1|2,0,0]=4 623 B17R1.1185 COC(=O)CCCNC(=O)C1=CC=C(C=C1)F MCULE-2758969294 [0,1,0,0,0,1|1,0,0]=3 624 B17R1.14628 CC1=C(C=CC(=C1)Br)C(=O)CCCCC(=O)O MCULE-7025581825 [0,1,0,0,0,1|2,0,0]=4 625 B17R1.14628 O=C(O)CCCCC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-3261405965 [0,1,0,0,0,1|2,0,0]=4 626 B17R1.14628 O=C(O)CCCCC(=O)C1=C(C=C(C=C1)Cl)F MCULE-4234356797 [0,1,0,0,0,1|2,0,0]=4 627 B17R1.14628 O=C(O)CCCCC(=O)C1=C(C=C(C=C1)F)Cl MCULE-8117420491 [0,1,0,0,0,1|2,0,0]=4 628 B17R1.14628 O=C(O)CCCCC(=O)C1=C(C=C(C=C1)F)F MCULE-4533743360 [0,1,0,0,0,1|2,0,0]=4 629 B17R1.14628 O=C(O)CCCNC(=O)C1=C(C=C(C=C1)F)F MCULE-9846364385 [0,1,0,0,0,1|1,0,0]=3 630 B17R1.14628 O=C(O)CCSCC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-9833645685 [0,1,0,0,0,1|2,0,0]=4 631 B17R1.23780 CN(CCC(=O)C1=CC=C(C=C1)Br)CC(=O)O MCULE-1343972610 [0,1,0,0,0,1|2,0,0]=4 632 B17R1.196 COC1=CC=C(C=C1)CC(=O)NCCC(=O)O MCULE-9890367376 [0,1,0,0,0,1|1,0,0]=3 633 B17R1.196 COC1=CC=C(C=C1)NC(=O)CCCC(=O)O MCULE-3551683770 [0,1,0,0,0,1|2,0,0]=4 634 B17R1.196 COC1=CC=C(C=C1)NC(=O)NCCC(=O)O MCULE-8190052295 [0,1,0,0,0,1|1,0,0]=3 635 B17R1.196 N#CC1=CC=C(C=C1)NC(=O)CCCC(=O)O MCULE-5895353289 [0,1,0,0,0,1|1,0,1]=4 636 B17R1.1066 CC1=C(C=C(C=C1)NC(=S)NCCC(=O)O)F MCULE-9347573606 [0,1,0,0,0,1|1,1,0]=4 637 B17R1.1066 CC1=CC=C(C=C1Cl)NC(=O)CCCC(=O)O MCULE-3145943467 [0,1,0,0,0,1|2,0,0]=4 638 B17R1.1066 NC1=C(C=C(C=C1)NC(=O)CCCC(=O)O)Cl MCULE-2993784069 [0,1,0,0,0,1|1,0,0]=3 639 B17R1.1066 O=C(O)CCCC(=O)NC1=CC(=C(C=C1)Cl)Cl MCULE-1340351461 [0,1,0,0,0,1|2,0,0]=4 640 B17R1.1066 O=C(O)CCCC(=O)NC1=CC=C(C(=C1)Br)Br MCULE-1042261940 [0,1,0,0,0,1|2,0,0]=4 641 B17R1.1066 O=C(O)CCCC(=O)NC1=CC=C(C(=C1)Cl)F MCULE-8217543457 [0,1,0,0,0,1|2,0,0]=4 642 B17R1.1066 O=C(O)CCCC(=O)NC1=CC=C(C(=C1)F)F MCULE-6525524414 [0,1,0,0,0,1|2,0,0]=4 643 B17R1.1066 O=C(O)CCNC(=O)NC1=CC=C(C(=C1)Cl)Cl MCULE-5000168839 [0,1,0,0,0,1|1,0,0]=3 644 B17R1.1066 O=C(O)CCNC(=S)NC1=CC(=C(C=C1)Cl)Cl MCULE-9470520385 [0,1,0,0,0,1|1,1,0]=4 645 B17R1.1066 O=C(O)CCNC(=S)NC1=CC=C(C(=C1)Cl)F MCULE-9264634881 [0,1,0,0,0,1|1,1,0]=4 646 B17R1.1119 O=C(NCCS(=O)(=O)O)NC1=CC=C(C=C1)Cl MCULE-4091408160 [0,1,0,0,0,1|2,0,0]=4 647 B17R1.1381 COC(=O)CCCC(=O)NC1=CC=C(C=C1)Br MCULE-7789835068 [0,1,0,0,0,1|2,0,0]=4 648 B17R1.1381 COC(=O)CCCC(=O)NC1=CC=C(C=C1)I MCULE-3053286859 [0,1,0,0,0,1|2,0,0]=4 649 B17R1.14626 CC1=CC(=C(C=C1)NC(=O)CCCC(=O)O)Br MCULE-4009112190 [0,1,0,0,0,1|2,0,0]=4 650 B17R1.14626 CC1=CC(=CC=C1NC(=O)CCCC(=O)O)Br MCULE-8821587024 [0,1,0,0,0,1|2,0,0]=4 651 B17R1.14626 O=C(O)CCCC(=O)NC1=C(C=C(C=C1)Br)F MCULE-3502777057 [0,1,0,0,0,1|2,0,0]=4 652 B17R1.14626 O=C(O)CCCC(=O)NC1=C(C=C(C=C1)F)F MCULE-9417872182 [0,1,0,0,0,1|2,0,0]=4 653 B17R1.14626 O=C(O)CCCC(=O)NC1=CC=C(C=C1Br)Br MCULE-6528597438 [0,1,0,0,0,1|2,0,0]=4 654 B17R1.14626 O=C(O)CCCC(=O)NC1=CC=C(C=C1Cl)Cl MCULE-6907750107 [0,1,0,0,0,1|2,0,0]=4 655 B17R1.14626 O=C(O)CCNC(=S)NC1=CC=C(C=C1F)F MCULE-9781788817 [0,1,0,0,0,1|1,1,0]=4 656 B17R1.23544 CC(CC(=O)O)CC(=O)NC1=CC=C(C=C1)Br MCULE-5700376878 [0,1,0,0,0,1|2,0,0]=4 657 B17R1.23544 CC(CC(=O)O)CC(=O)NC1=CC=C(C=C1)Cl MCULE-4637038255 [0,1,0,0,0,1|2,0,0]=4 658 B17R1.23544 CC(CC(=O)O)CC(=O)NC1=CC=C(C=C1)F MCULE-1743840626 [0,1,0,0,0,1|2,0,0]=4 659 B17R1.23544 CC1=CC=C(C=C1)NC(=O)CC(C)CC(=O)O MCULE-3980083101 [0,1,0,0,0,1|2,0,0]=4 660 B17R1.208 CCC1=CC=C(C=C1)C(=O)CC(C)CC(=O)O MCULE-4188561413 [0,2,0,0,0,0|2,0,0]=4 661 B17R1.208 COC1=CC=C(C=C1)C(=O)CC(C)CC(=O)O MCULE-3338825008 [0,2,0,0,0,0|2,0,0]=4 662 B17R1.208 CSC1=CC=C(C=C1)C(=O)CC(C)CC(=O)O MCULE-1778841770 [0,2,0,0,0,0|2,0,0]=4 663 B17R1.210 C=CC1=CC=C(C=C1)C(=O)CCCC(=O)OC MCULE-4394094987 [0,2,0,0,0,0|2,0,0]=4 664 B17R1.210 CCC1=CC=C(C=C1)C(=O)CCCC(=O)OC MCULE-2329514059 [0,2,0,0,0,0|2,0,0]=4 665 B17R1.210 COC(=O)CCCC(=O)C1=CC=C(C=C1)C#N MCULE-3884848778 [0,2,0,0,0,0|1,0,1]=4 666 B17R1.210 COC(=O)CCCC(=O)C1=CC=C(C=C1)OC MCULE-4658770835 [0,2,0,0,0,0|2,0,0]=4 667 B17R1.210 COC(=O)CCCC(=O)C1=CC=C(C=C1)SC MCULE-9722588766 [0,2,0,0,0,0|2,0,0]=4 668 B17R1.210 COC(=O)CCNC(=O)C1=CC=C(C=C1)C=O MCULE-1214843031 [0,2,0,0,0,0|1,0,0]=3 669 B17R1.210 COC(=O)CCNC(=O)C1=CC=C(C=C1)OC MCULE-8962291320 [0,2,0,0,0,0|1,0,0]=3 670 B17R1.210 COC1=CC=C(C=C1)C(=O)NCCC(=O)NN MCULE-7140853758 [0,2,0,0,0,0|2,0,0]=4 671 B17R1.216 CCC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O MCULE-1457576110 [0,2,0,0,0,0|2,0,0]=4 672 B17R1.216 COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O MCULE-8119435605 [0,2,0,0,0,0|2,0,0]=4 673 B17R1.216 N#CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O MCULE-5356656836 [0,2,0,0,0,0|1,0,1]=4 674 B17R1.4768 COC1=C(C=C(C=C1)C(=O)CCCC(=O)O)C MCULE-5322455309 [0,2,0,0,0,0|2,0,0]=4 675 B17R1.4768 COC1=C(C=C(C=C1)C(=O)CCCC(=O)O)F MCULE-5721893160 [0,2,0,0,0,0|2,0,0]=4 676 B17R1.4768 COC1=CC=C(C=C1N)C(=O)NCCC(=O)O MCULE-8627025381 [0,2,0,0,0,0|1,0,0]=3 677 B17R1.8600 CCCC1=CC=C(C=C1)C(=O)CCCC(=O)O MCULE-3452013397 [0,2,0,0,0,0|2,0,0]=4 678 B17R1.8600 CCOC1=CC=C(C=C1)C(=O)CCCC(=O)O MCULE-5780612978 [0,2,0,0,0,0|2,0,0]=4 679 B17R1.8600 CCOC1=CC=C(C=C1)C(=O)NCCC(=O)O MCULE-6118347160 [0,2,0,0,0,0|1,0,0]=3 680 B17R1.8600 CCSC1=CC=C(C=C1)C(=O)CCCC(=O)O MCULE-8153939787 [0,2,0,0,0,0|2,0,0]=4 681 B17R1.8600 COCC1=CC=C(C=C1)C(=O)CCCC(=O)O MCULE-4864112090 [0,2,0,0,0,0|2,0,0]=4 682 B17R1.16380 CC(C)C1=CC=C(C=C1)C(=O)CCCC(=O)O MCULE-9248899239 [0,2,0,0,0,0|2,0,0]=4 683 B17R1.16380 CN(C)C1=CC=C(C=C1)C(=O)CCCC(=O)O MCULE-3867433812 [0,2,0,0,0,0|1,0,0]=3 684 B17R1.16380 O=C(O)CCNC(=O)C1=CC=C(C=C1)B(O)O MCULE-4006072094 [0,2,0,0,0,0|1,0,0]=3 685 B17R1.16380 O=C(O)CCNC(=O)C1=CC=C(C=C1)N(=O)=O MCULE-1385180708 [0,2,0,0,0,0|0,0,1]=3 686 B17R1.29017 COC1=CC(=C(C=C1)C(=O)CCCC(=O)O)C MCULE-9395580307 [0,2,0,0,0,0|2,0,0]=4 687 B17R1.29017 CSC1=CC(=C(C=C1)C(=O)CCCC(=O)O)Cl MCULE-8829668505 [0,2,0,0,0,0|2,0,0]=4 688 B17R1.1086 CC1=CC=C(C=C1)S(=O)(=O)N(C)CCC(=O)O MCULE-3951044623 [0,2,0,0,0,0|2,0,0]=4 689 B17R1.1086 CN(CCC(=O)O)S(=O)(=O)C1=CC=C(C=C1)Cl MCULE-2823039423 [0,2,0,0,0,0|2,0,0]=4 690 B17R1.856 COC(=O)CC(=O)NC(=O)C1=CC=C(C=C1)C MCULE-1257409802 [0,2,0,0,0,0|1,0,1]=4 691 B17R1.856 COC(=O)CC(=O)NC(=O)C1=CC=C(C=C1)Cl MCULE-3848855594 [0,2,0,0,0,0|1,0,1]=4 692 B17R1.856 COC(=O)CC(C)CC(=O)C1=CC=C(C=C1)C MCULE-1712885978 [0,2,0,0,0,0|2,0,0]=4 693 B17R1.856 COC(=O)CC(C)CC(=O)C1=CC=C(C=C1)Cl MCULE-7443083399 [0,2,0,0,0,0|2,0,0]=4 694 B17R1.856 COC(=O)CC(C)CC(=O)C1=CC=C(C=C1)F MCULE-8598660871 [0,2,0,0,0,0|2,0,0]=4 695 B17R1.9070 CC1=C(C=CC(=C1)Cl)C(=O)CC(C)CC(=O)O MCULE-6059818598 [0,2,0,0,0,0|2,0,0]=4 696 B17R1.9070 CC1=CC(=C(C=C1)C(=O)CC(C)CC(=O)O)C MCULE-8731878261 [0,2,0,0,0,0|2,0,0]=4 697 B17R1.9070 CC1=CC(=CC=C1C(=O)CC(C)CC(=O)O)F MCULE-5731343665 [0,2,0,0,0,0|2,0,0]=4 698 B17R1.23502 CC(CC(=O)O)CC(=O)C1=CC=C(C(=C1)Cl)Cl MCULE-8709381546 [0,2,0,0,0,0|2,0,0]=4 699 B17R1.23502 CC(CC(=O)O)CC(=O)C1=CC=C(C(=C1)Cl)F MCULE-5302104914 [0,2,0,0,0,0|2,0,0]=4 700 B17R1.23502 CC(CC(=O)O)CC(=O)C1=CC=C(C(=C1)F)Cl MCULE-9446759093 [0,2,0,0,0,0|2,0,0]=4 701 B17R1.23502 CC(CC(=O)O)CC(=O)C1=CC=C(C(=C1)F)F MCULE-5710799334 [0,2,0,0,0,0|2,0,0]=4 702 B17R1.23502 CC1=C(C=C(C=C1)C(=O)CC(C)CC(=O)O)C MCULE-7540831767 [0,2,0,0,0,0|2,0,0]=4 703 B17R1.23502 CC1=C(C=C(C=C1)C(=O)CC(C)CC(=O)O)Cl MCULE-2056506699 [0,2,0,0,0,0|2,0,0]=4 704 B17R1.23502 CC1=C(C=CC(=C1)C(=O)CC(C)CC(=O)O)Cl MCULE-6761380500 [0,2,0,0,0,0|2,0,0]=4 705 B17R1.23502 CC1=C(C=CC(=C1)C(=O)CC(C)CC(=O)O)F MCULE-4275729155 [0,2,0,0,0,0|2,0,0]=4 706 B17R1.23502 CC1=CC=C(C=C1F)C(=O)CC(C)CC(=O)O MCULE-3420809997 [0,2,0,0,0,0|2,0,0]=4 707 B17R1.23733 CC(C)(CC(=O)O)CC(=O)C1=CC=C(C=C1)Br MCULE-1450706272 [0,2,0,0,0,0|2,0,0]=4 708 B17R1.23733 CC(C)(CC(=O)O)CC(=O)C1=CC=C(C=C1)Cl MCULE-6712639441 [0,2,0,0,0,0|2,0,0]=4 709 B17R1.23733 CC(C)(CC(=O)O)CC(=O)C1=CC=C(C=C1)F MCULE-1299724743 [0,2,0,0,0,0|2,0,0]=4 710 B17R1.23733 CC1=CC=C(C=C1)C(=O)CC(C)(C)CC(=O)O MCULE-9215367371 [0,2,0,0,0,0|2,0,0]=4 711 B17R1.1118 CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)O)C MCULE-8038986198 [0,2,0,0,0,0|2,0,0]=4 712 B17R1.1118 CC1=C(C=CC(=C1)S(=O)(=O)NCCC(=O)O)F MCULE-7358950500 [0,2,0,0,0,0|2,0,0]=4 713 B17R1.1118 O=C(O)CCNS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl MCULE-6387668594 [0,2,0,0,0,0|2,0,0]=4 714 B17R1.1118 O=C(O)CCNS(=O)(=O)C1=CC(=C(C=C1)F)F MCULE-8423705547 [0,2,0,0,0,0|2,0,0]=4 715 B17R1.1118 O=C(O)CCNS(=O)(=O)C1=CC=C(C(=C1)Cl)F MCULE-7304124563 [0,2,0,0,0,0|2,0,0]=4 716 B17R1.1160 COC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C MCULE-4189906999 [0,2,0,0,0,0|2,0,0]=4 717 B17R1.1160 COC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)N MCULE-3697030157 [0,2,0,0,0,0|1,0,0]=3 718 B17R1.1160 COC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)N MCULE-6028328870 [0,2,0,0,0,0|1,0,0]=3 719 B17R1.9079 CC1=C(C=CC(=C1)F)S(=O)(=O)NCCC(=O)O MCULE-5543598398 [0,2,0,0,0,0|2,0,0]=4 720 B17R1.9079 CC1=CC(=C(C=C1)S(=O)(=O)NCCC(=O)O)C MCULE-2800946190 [0,2,0,0,0,0|2,0,0]=4 721 B17R1.24361 COC(=O)CCCC(=O)C1=CC=C(C(=C1)C)Br MCULE-5636327207 [0,2,0,0,0,0|2,0,0]=4 722 B17R1.24361 COC(=O)CCCC(=O)C1=CC=C(C(=C1)C)C MCULE-5996288447 [0,2,0,0,0,0|2,0,0]=4 723 B17R1.24361 COC(=O)CCCC(=O)C1=CC=C(C(=C1)C)Cl MCULE-1123531850 [0,2,0,0,0,0|2,0,0]=4 724 B17R1.24361 COC(=O)CCCC(=O)C1=CC=C(C(=C1)C)F MCULE-4455383538 [0,2,0,0,0,0|2,0,0]=4 725 B17R1.24361 COC(=O)CCCC(=O)C1=CC=C(C(=C1)Cl)Br MCULE-3156094461 [0,2,0,0,0,0|2,0,0]=4 726 B17R1.24361 COC(=O)CCCC(=O)C1=CC=C(C(=C1)Cl)C MCULE-1698232768 [0,2,0,0,0,0|2,0,0]=4 727 B17R1.24361 COC(=O)CCCC(=O)C1=CC=C(C(=C1)Cl)Cl MCULE-8925801973 [0,2,0,0,0,0|2,0,0]=4 728 B17R1.24361 COC(=O)CCCC(=O)C1=CC=C(C(=C1)Cl)F MCULE-9185096297 [0,2,0,0,0,0|2,0,0]=4 729 B17R1.24361 COC(=O)CCCC(=O)C1=CC=C(C(=C1)F)Br MCULE-4518388048 [0,2,0,0,0,0|2,0,0]=4 730 B17R1.24361 COC(=O)CCCC(=O)C1=CC=C(C(=C1)F)C MCULE-3023209568 [0,2,0,0,0,0|2,0,0]=4 731 B17R1.24361 COC(=O)CCCC(=O)C1=CC=C(C(=C1)F)Cl MCULE-6344221100 [0,2,0,0,0,0|2,0,0]=4 732 B17R1.24361 COC(=O)CCCC(=O)C1=CC=C(C(=C1)F)F MCULE-2485226245 [0,2,0,0,0,0|2,0,0]=4 733 B17R1.24361 NNC(=O)CCNC(=O)C1=CC(=C(C=C1)Cl)Cl MCULE-7501568959 [0,2,0,0,0,0|2,0,0]=4 734 B17R1.76157 CC1=CC(=CC(=C1Cl)C)C(=O)CCCC(=O)O MCULE-1664267787 [0,2,0,0,0,0|2,0,0]=4 735 B17R1.76157 O=C(O)CCCC(=O)C1=CC(=C(C(=C1)Cl)Cl)Cl MCULE-1662834738 [0,2,0,0,0,0|2,0,0]=4 736 B17R1.76157 O=C(O)CCCC(=O)C1=CC(=C(C(=C1)F)F)F MCULE-5248785441 [0,2,0,0,0,0|2,0,0]=4 737 B17R1.96226 CC1=CC(=C(C=C1C)C(=O)CCCC(=O)O)C MCULE-1308441317 [0,2,0,0,0,0|2,0,0]=4 738 B17R1.96226 O=C(O)CCCC(=O)C1=C(C=C(C(=C1)F)F)Cl MCULE-2033622500 [0,2,0,0,0,0|2,0,0]=4 739 B17R1.968 CCOC(=O)CCCC(=O)C1=CC=C(C=C1)Br MCULE-2419715884 [0,2,0,0,0,0|2,0,0]=4 740 B17R1.968 CCOC(=O)CCCC(=O)C1=CC=C(C=C1)C MCULE-5098363000 [0,2,0,0,0,0|2,0,0]=4 741 B17R1.968 CCOC(=O)CCCC(=O)C1=CC=C(C=C1)Cl MCULE-3599624668 [0,2,0,0,0,0|2,0,0]=4 742 B17R1.968 CCOC(=O)CCCC(=O)C1=CC=C(C=C1)F MCULE-2011414968 [0,2,0,0,0,0|2,0,0]=4 743 B17R1.968 CCOC(=O)CCCC(=O)C1=CC=C(C=C1)I MCULE-8498044710 [0,2,0,0,0,0|2,0,0]=4 744 B17R1.968 CCOC(=O)CCNC(=O)C1=NC=C(C=C1)Br MCULE-2638917036 [0,2,0,0,0,0|2,0,0]=4 745 B17R1.139047 COC(=O)CCCC(=O)C1=CC=C(C=C1C)Br MCULE-2536247134 [0,2,0,0,0,0|2,0,0]=4 746 B17R1.139047 COC(=O)CCCC(=O)C1=CC=C(C=C1C)C MCULE-3167892191 [0,2,0,0,0,0|2,0,0]=4 747 B17R1.139047 COC(=O)CCCC(=O)C1=CC=C(C=C1C)Cl MCULE-3214403526 [0,2,0,0,0,0|2,0,0]=4 748 B17R1.139047 COC(=O)CCCC(=O)C1=CC=C(C=C1C)F MCULE-2335033777 [0,2,0,0,0,0|2,0,0]=4 749 B17R1.139047 COC(=O)CCCC(=O)C1=CC=C(C=C1Cl)Br MCULE-6756311827 [0,2,0,0,0,0|2,0,0]=4 750 B17R1.139047 COC(=O)CCCC(=O)C1=CC=C(C=C1Cl)C MCULE-8380981826 [0,2,0,0,0,0|2,0,0]=4 751 B17R1.139047 COC(=O)CCCC(=O)C1=CC=C(C=C1Cl)Cl MCULE-8077624315 [0,2,0,0,0,0|2,0,0]=4 752 B17R1.139047 COC(=O)CCCC(=O)C1=CC=C(C=C1Cl)F MCULE-7413609842 [0,2,0,0,0,0|2,0,0]=4 753 B17R1.139047 COC(=O)CCCC(=O)C1=CC=C(C=C1F)Br MCULE-1966607015 [0,2,0,0,0,0|2,0,0]=4 754 B17R1.139047 COC(=O)CCCC(=O)C1=CC=C(C=C1F)C MCULE-7811971934 [0,2,0,0,0,0|2,0,0]=4 755 B17R1.139047 COC(=O)CCCC(=O)C1=CC=C(C=C1F)Cl MCULE-8092777846 [0,2,0,0,0,0|2,0,0]=4 756 B17R1.139047 COC(=O)CCCC(=O)C1=CC=C(C=C1F)F MCULE-8506531101 [0,2,0,0,0,0|2,0,0]=4 757 B17R1.5378 COC1=C(C=CC(=C1)Cl)C(=O)CCCC(=O)O MCULE-9064583044 [0,2,0,0,0,0|2,0,0]=4 758 B17R1.34975 CC1=CC(=C(C(=C1)C)C(=O)CCCC(=O)O)C MCULE-3311945362 [0,2,0,0,0,0|2,0,0]=4 759 B15R2.91 NC1=CC=C(C=C1)C(=O)N2CCCC2 MCULE-5666930185 [1,0,0,1,0,0|1,0,1]=4 760 B15R2.91 NC1=CC=C(C=C1)C(=O)N2CCCN2 MCULE-7606876817 [1,0,0,1,0,0|1,0,1]=4 761 B15R2.6983 NC1=CC=C(C=C1)C(=O)NCC2CC2 MCULE-1355303846 [1,0,0,1,0,0|1,0,1]=4 762 B15R2.18979 NC1=CC=C(C=C1)C(=O)NC2CCC2 MCULE-2539217527 [1,0,0,1,0,0|1,0,1]=4 763 B15R2.59 O=C(O)C1CNC(=N1)C2=CC=CC=C2 MCULE-4120006467 [1,0,0,1,0,0|1,0,0]=3 764 B15R2.59 O=C(O)C1CNC(C1)C2=CC=CC=C2 MCULE-6514436527 [1,0,0,1,0,0|1,0,1]=4 765 B15R2.59 O=C(O)C1CNC(C1)C2=CC=CC=C2 MCULE-8803262365 [1,0,0,1,0,0|1,0,1]=4 766 B15R2.59 O=C(O)C1CNC(S1)C2=CC=CC=C2 MCULE-3520699244 [1,0,0,1,0,0|0,1,1]=4 767 B15R2.59 O=C(O)C1CSC(=N1)C2=CC=CC=C2 MCULE-4936558247 [1,0,0,1,0,0|2,0,0]=4 768 B15R2.59 O=C(O)[C@@H]1CSC(=N1)C2=CC=CC=C2 MCULE-8668011866 [1,0,0,1,0,0|2,0,0]=4 769 B15R2.59 O=C(O)[C@H]1CSC(=N1)C2=CC=CC=C2 MCULE-5945111952 [1,0,0,1,0,0|2,0,0]=4 770 B15R2.550 O=C1CCCC(=O)C2=C(N1)C=CC=C2 MCULE-9045126401 [1,0,0,1,0,0|2,0,0]=4 771 B15R2.612 O=C1CC(C1)OC(=O)C2=CC=CC=C2 MCULE-3724304764 [1,0,0,1,0,0|2,0,0]=4 772 B15R2.612 O=C1CC(N1)OC(=O)C2=CC=CC=C2 MCULE-5563716531 [1,0,0,1,0,0|2,0,0]=4 773 B15R2.612 O=C1C[C@@H](N1)OC(=O)C2=CC=CC=C2 MCULE-9236436621 [1,0,0,1,0,0|2,0,0]=4 774 B15R2.14628 O=C(O)C1=CNC(=O)C2=CC=CC=C12 MCULE-1056588826 [1,0,0,1,0,0|0,0,2]=4 775 B15R2.14628 O=C(O)C1=NNC(=O)C2=C1C=CC=C2 MCULE-6257263141 [1,0,0,1,0,0|1,0,1]=4 776 B15R2.14628 O=C1CCC(C2=C1C=CC=C2)C(=O)O MCULE-6337292042 [1,0,0,1,0,0|1,0,0]=3 777 B15R2.14628 O=C1NCC(C2=C1C=CC=C2)C(=O)O MCULE-8627364023 [1,0,0,1,0,0|0,0,0]=2 778 B15R2.16289 O=C(C1=CC=CC=C1)[C@H]2C[C@H]2C(=O)O MCULE-4475973224 [1,0,0,1,0,0|1,0,0]=3 779 B15R2.16289 O=C(O)C1CC1C(=O)C2=CC=CC=C2 MCULE-3100954480 [1,0,0,1,0,0|1,0,0]=3 780 B15R2.16289 O=C(O)[C@H]1C[C@@H]1C(=O)C2=CC=CC=C2 MCULE-3006540167 [1,0,0,1,0,0|1,0,0]=3 781 B15R2.53147 CC(=O)CC1OC(=O)C2=C1C=CC=C2 MCULE-4960501516 [1,0,0,1,0,0|2,0,0]=4 782 B15R2.53147 NC(=O)CC1NC(=O)C2=C1C=CC=C2 MCULE-4592384524 [1,0,0,1,0,0|1,0,0]=3 783 B15R2.53147 NC(=O)CC1OC(=O)C2=C1C=CC=C2 MCULE-4997430834 [1,0,0,1,0,0|2,0,0]=4 784 B15R2.53147 O=C(O)C=C1NC(=O)C2=C1C=CC=C2 MCULE-6154031991 [1,0,0,1,0,0|0,0,2]=4 785 B15R2.53147 O=C(O)CC1CC(=O)C2=CC=CC=C12 MCULE-7248800520 [1,0,0,1,0,0|1,0,0]=3 786 B15R2.53147 O=C(O)CC1NC(=O)C2=C1C=CC=C2 MCULE-3812791189 [1,0,0,1,0,0|0,0,0]=2 787 B15R2.53147 O=C(O)CC1OC(=O)C2=C1C=CC=C2 MCULE-9308392772 [1,0,0,1,0,0|1,0,0]=3 788 B15R2.53147 O=C(O)CN1SC(=O)C2=C1C=CC=C2 MCULE-3543916824 [1,0,0,1,0,0|2,0,0]=4 789 B15R2.9410 NC1=CC2=C(C=C1)C=NN2CC(=O)O MCULE-3615672053 [1,0,0,1,0,0|1,0,1]=4 790 B15R2.9410 NC1=CC2=C(C=C1)C=NN2CC(=O)O MCULE-9166553214 [1,0,0,1,0,0|1,0,1]=4 791 B15R2.3 NC1=CC=C(C=C1)C2=NNC(=O)CC2 MCULE-6128673743 [0,0,0,1,1,0|2,0,0]=4 792 B15R2.6972 NC1=CC=C(C=C1)N2CC(C2)C(=O)O MCULE-5499985823 [0,0,0,1,1,0|2,0,0]=4 793 B15R2.7328 O=C1CNC(=O)C2=CC=C(C=C2N1)Cl MCULE-6278644039 [0,0,0,1,1,0|2,0,0]=4 794 B15R2.14743 O=C1CC(C2=C1C=CC(=C2)Cl)C(=O)O MCULE-5694996687 [0,0,0,1,1,0|1,0,0]=3 795 B15R2.14743 O=C1CC(C2=C1C=CC(=C2)F)C(=O)O MCULE-7250605638 [0,0,0,1,1,0|1,0,0]=3 796 B17R2.191 NC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2 MCULE-4087350494 [0,0,0,1,0,1|1,0,0]=3 797 B17R2.210 CC1=CC=C(C=C1)NC(=O)N2CCC(=O)N2 MCULE-4489182496 [0,0,0,1,0,1|2,0,0]=4 798 B17R2.210 O=C1CCN(N1)C(=O)NC2=CC=C(C=C2)Cl MCULE-6443952129 [0,0,0,1,0,1|2,0,0]=4 799 B17R2.473 O=C(O)C1CNC(=N1)CC2=CC=C(C=C2)Cl MCULE-7343805888 [0,0,0,1,0,1|2,0,0]=4 800 B17R2.57025 O=C(O)C1CC1C(=O)NC2=CC=C(C=C2)Br MCULE-2721308106 [0,0,0,1,0,1|2,0,0]=4 801 B17R2.150937 CC1=CC=C2OC(=O)N(C2=C1)CCC(=O)O MCULE-9981812039 [0,0,0,1,0,1|1,0,0]=3 802 B17R2.150937 NC(=O)CCN1C(=O)OC2=CC=C(C=C12)Cl MCULE-7177600214 [0,0,0,1,0,1|2,0,0]=4 803 B17R2.150937 O=C(O)CCN1C(=O)OC2=C1C=C(C=C2)Cl MCULE-5307614699 [0,0,0,1,0,1|1,0,0]=3 804 B17R2.152235 NC1=CC2=C(C=C1)N=C(N2)CCCC(=O)O MCULE-2868424547 [0,0,0,1,0,1|2,0,0]=4 805 B17R2.152235 NC1=CC2=C(C=C1)NC(=N2)CCCC(=O)O MCULE-7423384264 [0,0,0,1,0,1|2,0,0]=4 806 B17R2.152235 NC1=CC=C2NC(=NC2=C1)CCCC(=O)O MCULE-8434166594 [0,0,0,1,0,1|2,0,0]=4 807 B17R2.429181 COC1=CC2=C(C=C1)C(=O)CC2CC(=O)O MCULE-5655285318 [0,1,0,1,0,0|2,0,0]=4 808 B17R2.217 NC1=CC=C(C=C1)C(=O)N2CCC(=O)CC2 MCULE-1644476400 [0,1,0,1,0,0|1,0,0]=3 809 B17R2.217 NC1=CC=C(C=C1)C(=O)N2CCC(=O)CC2 MCULE-3736496441 [0,1,0,1,0,0|1,0,0]=3 810 B17R2.217 NC1=CC=C(C=C1)C(=O)N2CCC(CC2)O MCULE-9456024067 [0,1,0,1,0,0|1,0,1]=4 811 B17R2.217 O=C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br MCULE-3680929424 [0,1,0,1,0,0|2,0,0]=4 812 B17R2.217 O=C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl MCULE-3003781921 [0,1,0,1,0,0|2,0,0]=4 813 B17R2.217 O=C1CCN(CC1)C(=O)C2=CC=C(C=C2)F MCULE-7183313368 [0,1,0,1,0,0|2,0,0]=4 814 B17R2.56625 CC1=CC=C(C=C1)C(=O)N2CC(C2)C(=O)O MCULE-8487604257 [0,1,0,1,0,0|1,0,0]=3 815 B17R2.57153 O=C(O)C1CC1C(=O)C2=CC=C(C(=C2)Cl)Cl MCULE-8468222079 [0,1,0,1,0,0|2,0,0]=4 816 B17R2.57153 O=C(O)[C@@H]1C[C@H]1C(=O)C2=CC=C(C(=C2)Cl)Cl MCULE-3946590205 [0,1,0,1,0,0|2,0,0]=4 817 B17R2.57153 O=C(O)[C@H]1C[C@@H]1C(=O)C2=CC(=C(C=C2)Cl)Cl MCULE-6848721982 [0,1,0,1,0,0|2,0,0]=4 818 B17R2.57153 O=C(O)[C@H]1C[C@@H]1C(=O)C2=CC(=C(C=C2)Cl)Cl MCULE-7096021967 [0,1,0,1,0,0|2,0,0]=4 819 B17R2.57153 O=C(O)[C@H]1C[C@@H]1C(=O)C2=CC=C(C(=C2)Cl)Cl MCULE-6224474344 [0,1,0,1,0,0|2,0,0]=4 820 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 MCULE-7185754790 [1,0,0,0,1,0|1,0,0]=3 821 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=N1 MCULE-1169430338 [1,0,0,0,1,0|2,0,0]=4 822 B13R1.45 CC(=O)CCC(=O)C1=CC=CN=C1 MCULE-3509234910 [1,0,0,0,1,0|2,0,0]=4 823 B13R1.45 CC(=O)CCC(=O)C1=CC=NC=C1 MCULE-3146867730 [1,0,0,0,1,0|2,0,0]=4 824 B13R1.45 CC(=O)CNC(=O)C1=CC=CC=C1 MCULE-9561319105 [1,0,0,0,1,0|1,0,0]=3 825 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 MCULE-2410376645 [1,0,0,0,1,0|2,0,0]=4 826 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 MCULE-6763642123 [1,0,0,0,1,0|2,0,0]=4 827 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 MCULE-6090896883 [1,0,0,0,1,0|2,0,0]=4 828 B13R1.45 CC(=O)SCC(=O)C1=CC=CC=C1 MCULE-6655287902 [1,0,0,0,1,0|2,0,0]=4 829 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 MCULE-9273435680 [1,0,0,0,1,0|1,0,1]=4 830 B13R1.45 CC(NCC(=O)O)C1=CC=CC=C1 MCULE-3454389940 [1,0,0,0,1,0|1,0,1]=4 831 B13R1.45 CC(NCC(=O)O)C1=CC=CC=C1 MCULE-9418621810 [1,0,0,0,1,0|1,0,1]=4 832 B13R1.45 CC(O)CNC(=O)C1=CC=CC=C1 MCULE-2076833592 [1,0,0,0,1,0|1,0,1]=4 833 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 MCULE-6181229610 [1,0,0,0,1,0|2,0,0]=4 834 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 MCULE-7016084931 [1,0,0,0,1,0|2,0,0]=4 835 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 MCULE-6707846891 [1,0,0,0,1,0|1,0,1]=4 836 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 MCULE-7678257919 [1,0,0,0,1,0|1,0,1]=4 837 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 MCULE-8801851891 [1,0,0,0,1,0|1,0,1]=4 838 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 MCULE-2914925663 [1,0,0,0,1,0|1,0,1]=4 839 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 MCULE-7694471053 [1,0,0,0,1,0|1,0,1]=4 840 B13R1.45 N=C(NCC(=O)O)C1=CC=CC=C1 MCULE-3603507752 [1,0,0,0,1,0|1,0,0]=3 841 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 MCULE-1126824260 [1,0,0,0,1,0|1,0,0]=3 842 B13R1.45 NC(=O)CNC(=O)C1=CC=NC=C1 MCULE-4842402008 [1,0,0,0,1,0|2,0,0]=4 843 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 MCULE-1586182862 [1,0,0,0,1,0|1,1,0]=4 844 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-4202777625 [1,0,0,0,1,0|1,0,1]=4 845 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-6369614057 [1,0,0,0,1,0|1,0,1]=4 846 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-8208262479 [1,0,0,0,1,0|1,0,1]=4 847 B13R1.45 NN(CCC(=O)O)C1=CC=CC=C1 MCULE-6515024702 [1,0,0,0,1,0|2,0,0]=4 848 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-1186252540 [1,0,0,0,1,0|1,0,1]=4 849 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-3844920282 [1,0,0,0,1,0|1,0,1]=4 850 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9329598937 [1,0,0,0,1,0|1,0,1]=4 851 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9753214445 [1,0,0,0,1,0|1,0,1]=4 852 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-4184367501 [1,0,0,0,1,0|1,0,1]=4 853 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-5500987281 [1,0,0,0,1,0|1,0,1]=4 854 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-7624062364 [1,0,0,0,1,0|1,0,1]=4 855 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9023704248 [1,0,0,0,1,0|1,0,1]=4 856 B13R1.45 O=C(Cl)CNC(=O)C1=CC=CC=C1 MCULE-6200370246 [1,0,0,0,1,0|1,0,0]=3 857 B13R1.45 O=C(Cl)COC(=O)C1=CC=CC=C1 MCULE-8715758472 [1,0,0,0,1,0|2,0,0]=4 858 B13R1.45 O=C(O)/C=C/C(=O)C1=CC=CC=C1 MCULE-7932930043 [1,0,0,0,1,0|0,0,2]=4 859 B13R1.45 O=C(O)C=CC(=O)C1=CC=CC=C1 MCULE-3929792367 [1,0,0,0,1,0|0,0,2]=4 860 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 MCULE-2271267445 [1,0,0,0,1,0|0,0,0]=2 861 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 MCULE-9218064287 [1,0,0,0,1,0|1,0,0]=3 862 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 MCULE-5354097885 [1,0,0,0,1,0|1,0,0]=3 863 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 MCULE-4148866271 [1,0,0,0,1,0|1,0,0]=3 864 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 MCULE-4643360404 [1,0,0,0,1,0|1,0,0]=3 865 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 MCULE-4325680851 [1,0,0,0,1,0|0,0,2]=4 866 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 MCULE-2214602350 [1,0,0,0,1,0|0,0,0]=2 867 B13R1.45 O=C(O)CNC(=O)C1=CC=C[NH+]=C1 MCULE-2334015826 [1,0,0,0,1,0|1,0,0]=3 868 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 MCULE-1163809665 [1,0,0,0,1,0|1,0,0]=3 869 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 MCULE-2257741698 [1,0,0,0,1,0|1,0,0]=3 870 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=N1 MCULE-8922720745 [1,0,0,0,1,0|2,0,0]=4 871 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 MCULE-4073681274 [1,0,0,0,1,0|1,0,0]=3 872 B13R1.45 O=C(O)CNC(=S)C1=CC=CC=C1 MCULE-9765729580 [1,0,0,0,1,0|0,1,0]=3 873 B13R1.45 O=C(O)COC(=O)C1=CC=CN=C1 MCULE-6985615485 [1,0,0,0,1,0|2,0,0]=4 874 B13R1.45 O=C(O)CSC(=O)C1=CC=CC=C1 MCULE-5202964730 [1,0,0,0,1,0|1,0,0]=3 875 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 MCULE-1348963497 [1,0,0,0,1,0|1,1,0]=4 876 B13R1.45 O=C([O-])CNC(=O)C1=CC=CC=C1 MCULE-9281884015 [1,0,0,0,1,0|0,0,1]=3 877 B13R1.45 [NH3+]C(CCC(=O)O)C1=CC=CC=C1 MCULE-1564217179 [1,0,0,0,1,0|1,0,1]=4 878 B13R1.342 CC(=C1C=CC=C1)CCCC(=O)O MCULE-7284039565 [1,0,0,0,1,0|2,0,0]=4 879 B13R1.342 O=C(O)CCCC(=O)C1=CC=CS1 MCULE-4650109824 [1,0,0,0,1,0|2,0,0]=4 880 B13R1.342 O=C(O)CCNC(=O)C1=CC=CN1 MCULE-9685444463 [1,0,0,0,1,0|1,0,0]=3 881 B13R1.342 O=C(O)CCNC(=O)C1=CC=CO1 MCULE-4480252309 [1,0,0,0,1,0|1,0,0]=3 882 B13R1.342 O=C(O)CCNC(=O)C1=CC=CS1 MCULE-3158329569 [1,0,0,0,1,0|1,0,0]=3 883 B13R1.342 O=C(O)CCNC(=O)C1=COC=C1 MCULE-5788305558 [1,0,0,0,1,0|1,0,0]=3 884 B13R1.342 O=C(O)CCNC(=O)C1=CSC=C1 MCULE-2931358144 [1,0,0,0,1,0|1,0,0]=3 885 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O MCULE-9264700102 [1,0,0,0,1,0|1,0,1]=4 886 B13R1.513 CC1=CC=C(C=C1)CNCC(=O)O MCULE-2470476224 [1,0,0,0,1,0|1,0,1]=4 887 B13R1.513 CC1=CC=C(C=C1)CNCC(=O)O MCULE-9439243852 [1,0,0,0,1,0|1,0,1]=4 888 B13R1.513 CC1=CC=C(C=C1)NCCC(=O)O MCULE-8652681898 [1,0,0,0,1,0|1,0,0]=3 889 B13R1.513 CC1=CC=C(C=C1)NCCC(=O)[O-] MCULE-3902274787 [1,0,0,0,1,0|1,0,1]=4 890 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)O MCULE-9368077352 [1,0,0,0,1,0|2,0,0]=4 891 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O MCULE-1755571946 [1,0,0,0,1,0|2,0,0]=4 892 B13R1.513 CC1=CN=C(C=C1)NCCC(=O)O MCULE-3965306638 [1,0,0,0,1,0|2,0,0]=4 893 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)F MCULE-8677295646 [1,0,0,0,1,0|2,0,0]=4 894 B13R1.513 NC(=O)CCOC1=CC=C(C=C1)N MCULE-8752964019 [1,0,0,0,1,0|2,0,0]=4 895 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O MCULE-4534927390 [1,0,0,0,1,0|0,0,1]=3 896 B13R1.513 NC1=CC=C(C=C1)OCCC(=O)O MCULE-6932857541 [1,0,0,0,1,0|1,0,0]=3 897 B13R1.513 O=C(O)CC=CC1=CC=C(C=C1)F MCULE-6574652903 [1,0,0,0,1,0|1,0,1]=4 898 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br MCULE-3233980702 [1,0,0,0,1,0|1,0,1]=4 899 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl MCULE-8089882538 [1,0,0,0,1,0|1,0,1]=4 900 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F MCULE-6338279408 [1,0,0,0,1,0|1,0,1]=4 901 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)I MCULE-5120307139 [1,0,0,0,1,0|1,0,1]=4 902 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O MCULE-6084225772 [1,0,0,0,1,0|1,0,1]=4 903 B13R1.513 O=C(O)CCNC1=CC=C(C=C1)Br MCULE-9183981024 [1,0,0,0,1,0|1,0,0]=3 904 B13R1.513 O=C(O)CCNC1=CC=C(C=C1)Cl MCULE-7907272480 [1,0,0,0,1,0|1,0,0]=3 905 B13R1.513 O=C(O)CCNC1=CC=C(C=N1)Cl MCULE-4007167787 [1,0,0,0,1,0|2,0,0]=4 906 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Br MCULE-4054160375 [1,0,0,0,1,0|2,0,0]=4 907 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Cl MCULE-1925407378 [1,0,0,0,1,0|2,0,0]=4 908 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)F MCULE-3183471561 [1,0,0,0,1,0|2,0,0]=4 909 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Br MCULE-2054430905 [1,0,0,0,1,0|2,0,0]=4 910 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl MCULE-9176337975 [1,0,0,0,1,0|2,0,0]=4 911 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)F MCULE-1982470844 [1,0,0,0,1,0|2,0,0]=4 912 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Br MCULE-4700701484 [1,0,0,0,1,0|1,0,1]=4 913 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Br MCULE-8611912575 [1,0,0,0,1,0|1,0,1]=4 914 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl MCULE-6575413490 [1,0,0,0,1,0|1,0,1]=4 915 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl MCULE-6982527308 [1,0,0,0,1,0|1,0,1]=4 916 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)F MCULE-2442159290 [1,0,0,0,1,0|1,0,1]=4 917 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)F MCULE-5020020469 [1,0,0,0,1,0|1,0,1]=4 918 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)O MCULE-6442035108 [1,0,0,0,1,0|1,0,1]=4 919 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)O MCULE-9086510260 [1,0,0,0,1,0|1,0,1]=4 920 B13R1.129 CC1=CC=C(O1)C(=O)NCC(=O)O MCULE-3553087096 [0,0,0,0,2,0|2,0,0]=4 921 B13R1.129 CC1=CC=C(S1)C(=O)CCC(=O)O MCULE-4341280661 [0,0,0,0,2,0|2,0,0]=4 922 B13R1.129 CC1=CC=C(S1)C(=O)NCC(=O)O MCULE-5559672734 [0,0,0,0,2,0|2,0,0]=4 923 B13R1.129 O=C(O)CCC(=O)C1=CC=C(S1)Br MCULE-8213129297 [0,0,0,0,2,0|2,0,0]=4 924 B13R1.129 O=C(O)CCC(=O)C1=CC=C(S1)Cl MCULE-7408813509 [0,0,0,0,2,0|2,0,0]=4 925 B13R1.129 O=C(O)CNC(=O)C1=CC=C(O1)Br MCULE-8726485094 [0,0,0,0,2,0|2,0,0]=4 926 B13R1.129 O=C(O)CNC(=O)C1=CC=C(S1)Br MCULE-7915708969 [0,0,0,0,2,0|2,0,0]=4 927 B13R1.129 O=C(O)CNC(=O)C1=CC=C(S1)Cl MCULE-1065253275 [0,0,0,0,2,0|2,0,0]=4 928 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Br MCULE-1970411913 [0,0,0,0,2,0|2,0,0]=4 929 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)C MCULE-3747399879 [0,0,0,0,2,0|2,0,0]=4 930 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl MCULE-9783614240 [0,0,0,0,2,0|2,0,0]=4 931 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F MCULE-6529086439 [0,0,0,0,2,0|2,0,0]=4 932 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)N MCULE-1218406621 [0,0,0,0,2,0|1,0,1]=4 933 B13R1.132 N=C(N)NC(=O)C1=CC=C(C=C1)N MCULE-5350652073 [0,0,0,0,2,0|2,0,0]=4 934 B13R1.132 NC(=O)CC(=O)C1=CC=C(C=C1)F MCULE-4752037713 [0,0,0,0,2,0|2,0,0]=4 935 B13R1.132 O=C(O)CC(=O)C1=CC=C(C=C1)F MCULE-8869002731 [0,0,0,0,2,0|1,0,0]=3 936 B13R1.132 O=C(O)CC(=O)C1=CC=C(C=C1)O MCULE-4533243268 [0,0,0,0,2,0|1,0,0]=3 937 B13R1.132 O=C(O)CS(=O)C1=CC=C(C=C1)Cl MCULE-3290734367 [0,0,0,0,2,0|2,0,0]=4 938 B13R1.132 O=C(O)NC(=O)C1=CC=C(C=C1)Cl MCULE-6234641378 [0,0,0,0,2,0|1,0,0]=3 939 B15R1.128 CC1=CC=C(C=C1)NC(=O)NCCCO MCULE-6374449995 [1,0,0,0,0,1|1,0,1]=4 940 B15R1.128 COCCNC(=O)CC1=CC=C(C=C1)N MCULE-9463883187 [1,0,0,0,0,1|2,0,0]=4 941 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)N MCULE-8546367517 [1,0,0,0,0,1|2,0,0]=4 942 B15R1.128 O=C(CC1=CC=C(C=C1)Cl)NCCCO MCULE-6942104839 [1,0,0,0,0,1|1,0,1]=4 943 B15R1.128 O=C(NCCCO)NC1=CC=C(C=C1)Cl MCULE-8994591599 [1,0,0,0,0,1|1,0,1]=4 944 B15R1.497 CC(=O)NCCNC(=O)C1=CC=CC=N1 MCULE-4177308785 [1,0,0,0,0,1|2,0,0]=4 945 B15R1.497 CC(=O)NCCNC(=O)C1=CC=NC=C1 MCULE-3385715540 [1,0,0,0,0,1|2,0,0]=4 946 B15R1.497 CC(=O)NCCNC(=O)C1=CN=CC=C1 MCULE-4821666134 [1,0,0,0,0,1|2,0,0]=4 947 B15R1.497 CC(=O)NCCOC(=O)C1=CC=CC=C1 MCULE-3862104870 [1,0,0,0,0,1|2,0,0]=4 948 B15R1.497 CC(=O)OCCNC(=O)C1=CC=CN=C1 MCULE-4980408595 [1,0,0,0,0,1|2,0,0]=4 949 B15R1.497 NC(=[NH2+])SCCNC(=O)C1=CC=CC=C1 MCULE-5618038484 [1,0,0,0,0,1|2,0,0]=4 950 B15R1.497 NC(=[NH2+])SCCNC(=O)C1=CC=CC=C1 MCULE-8781006810 [1,0,0,0,0,1|2,0,0]=4 951 B15R1.497 O=C(Cl)CCCCC(=O)C1=CC=CC=C1 MCULE-8802474295 [1,0,0,0,0,1|2,0,0]=4 952 B15R1.497 O=C(O)CCCCC(=O)C1=CC=CC=C1 MCULE-1902171676 [1,0,0,0,0,1|1,0,0]=3 953 B15R1.497 O=C(O)CCCNC(=O)C1=CC=CC=C1 MCULE-5363424367 [1,0,0,0,0,1|0,0,0]=2 954 B15R1.497 O=C(O)CCCNC(=O)C1=CC=CC=N1 MCULE-5130982816 [1,0,0,0,0,1|1,0,0]=3 955 B15R1.497 O=C(O)CCCNC(=O)C1=CC=C[NH+]=C1 MCULE-6361843714 [1,0,0,0,0,1|1,0,0]=3 956 B15R1.497 O=C(O)CCCNC(=O)C1=CC=NC=C1 MCULE-1122731623 [1,0,0,0,0,1|1,0,0]=3 957 B15R1.497 O=C(O)CCCNC(=O)C1=CN=CC=C1 MCULE-5107124225 [1,0,0,0,0,1|1,0,0]=3 958 B15R1.497 O=C(O)CCCNC(=O)C1=NC=CN=C1 MCULE-3413464243 [1,0,0,0,0,1|2,0,0]=4 959 B15R1.497 O=C(O)CCSCC(=O)C1=CC=CC=C1 MCULE-9044215331 [1,0,0,0,0,1|1,0,0]=3 960 B15R1.497 O=C(O)CNCCC(=O)C1=CC=CC=C1 MCULE-2926921914 [1,0,0,0,0,1|1,0,0]=3 961 B15R1.497 O=C(O)CNCCC(=O)C1=CC=CC=C1 MCULE-7862607880 [1,0,0,0,0,1|1,0,0]=3 962 B15R1.497 O=C([O-])CCCNC(=O)C1=CC=CN=C1 MCULE-2603534020 [1,0,0,0,0,1|1,0,1]=4 963 B15R1.497 P(=O)([O-])OCCNC(=O)C1=CC=CC=C1 MCULE-9589098922 [1,0,0,0,0,1|1,0,1]=4 964 B15R1.497 [NH+]1=CC=CC(=C1)C(=O)NCCOC(=O)C MCULE-8287255625 [1,0,0,0,0,1|2,0,0]=4 965 B15R1.1081 O=C(O)C/C=C\C(=O)NC1=CC=CC=C1 MCULE-6957197284 [1,0,0,0,0,1|1,0,1]=4 966 B15R1.1081 O=C(O)CCCC(=O)CC1=CC=CC=C1 MCULE-7275548894 [1,0,0,0,0,1|1,0,0]=3 967 B15R1.1081 O=C(O)CCCC(=O)NC1=CC=CC=C1 MCULE-1908128578 [1,0,0,0,0,1|1,0,0]=3 968 B15R1.1081 O=C(O)CCCC(=O)NC1=CN=CC=C1 MCULE-3755062775 [1,0,0,0,0,1|2,0,0]=4 969 B15R1.1081 O=C(O)CCCC(=O)NC1=NC=CC=C1 MCULE-5905640662 [1,0,0,0,0,1|2,0,0]=4 970 B15R1.1081 O=C(O)CCNC(=O)CC1=CC=CC=C1 MCULE-6468028504 [1,0,0,0,0,1|0,0,0]=2 971 B15R1.1081 O=C(O)CCNC(=O)NC1=CC=CC=C1 MCULE-3391026108 [1,0,0,0,0,1|0,0,0]=2 972 B15R1.1081 O=C(O)CCNC(=S)NC1=CC=CC=C1 MCULE-7522641547 [1,0,0,0,0,1|0,1,0]=3 973 B15R1.1081 O=C(O)COCC(=O)NC1=CC=CC=C1 MCULE-3958358943 [1,0,0,0,0,1|2,0,0]=4 974 B15R1.1081 O=C(O)CONC(=O)CC1=CC=CC=C1 MCULE-9158460658 [1,0,0,0,0,1|1,0,0]=3 975 B15R1.1081 O=C(O)CSCC(=O)NC1=CC=CC=C1 MCULE-7811560377 [1,0,0,0,0,1|2,0,0]=4 976 B15R1.871 NC1=CC=C(C=C1)OCCCCC(=O)O MCULE-6728177015 [1,0,0,0,0,1|1,0,1]=4 977 B15R1.871 NC1=CC=C(C=C1)OCCOCC(=O)O MCULE-5090737114 [1,0,0,0,0,1|2,0,0]=4 978 B15R1.871 O=C(O)CCCNCC1=CC=C(C=C1)Cl MCULE-2310220749 [1,0,0,0,0,1|1,0,1]=4 979 B15R1.871 O=C(O)CCCNCC1=CC=C(C=C1)Cl MCULE-3140273611 [1,0,0,0,0,1|1,0,1]=4 980 B15R1.871 O=C(O)CCCNCC1=CC=C(C=C1)F MCULE-2352055976 [1,0,0,0,0,1|1,0,1]=4 981 B15R1.871 O=C(O)CCCNCC1=CC=C(C=C1)F MCULE-5470438180 [1,0,0,0,0,1|1,0,1]=4 982 B15R1.5483 CC1=CC=C(O1)C(=O)NCCCC(=O)O MCULE-5188345638 [0,0,0,0,1,1|2,0,0]=4 983 B17R1.1059 CC1=CC=C(C=C1)C(=O)CCCCCC(=O)O MCULE-4416577096 [0,0,0,0,0,2|2,0,0]=4 984 B17R1.1059 CC1=CC=C(C=C1)C(=O)CNCCCC(=O)O MCULE-2873599498 [0,0,0,0,0,2|1,0,0]=3 985 B17R1.1059 CC1=CC=C(C=C1)C(=O)CNCCCC(=O)O MCULE-3877836973 [0,0,0,0,0,2|1,0,0]=3 986 B17R1.1059 O=C(O)CCCCCC(=O)C1=CC=C(C=C1)Br MCULE-2046977735 [0,0,0,0,0,2|2,0,0]=4 987 B17R1.1059 O=C(O)CCCCCC(=O)C1=CC=C(C=C1)Cl MCULE-6898274101 [0,0,0,0,0,2|2,0,0]=4 988 B17R1.1059 O=C(O)CCCCCC(=O)C1=CC=C(C=C1)F MCULE-9006124586 [0,0,0,0,0,2|2,0,0]=4 989 B17R1.1059 O=C(O)CCCCCC(=O)C1=CC=C(C=C1)I MCULE-9520148610 [0,0,0,0,0,2|2,0,0]=4 990 B17R1.1059 O=C(O)CCCCNC(=O)C1=CC=C(C=C1)F MCULE-1344486197 [0,0,0,0,0,2|1,0,0]=3 991 B17R1.1120 O=C(O)CCCNC(=O)NC1=CC=C(C=C1)Cl MCULE-5721202410 [0,0,0,0,0,2|1,0,0]=3 992 B17R1.1120 O=C(O)CCCNC(=S)NC1=CC=C(C=C1)Cl MCULE-9936423612 [0,0,0,0,0,2|1,1,0]=4 993 B17R1.1120 O=C(O)CCSCC(=O)NC1=CC=C(C=C1)Br MCULE-9709020627 [0,0,0,0,0,2|2,0,0]=4 994 B17R1.1120 O=C(O)CCSCC(=O)NC1=CC=C(C=C1)Cl MCULE-2704413959 [0,0,0,0,0,2|2,0,0]=4 995 B17R1.1120 O=C(O)CSCCC(=O)NC1=CC=C(C=C1)F MCULE-4036136166 [0,0,0,0,0,2|2,0,0]=4 996 B17R1.1079 CC1=CC=C(C=C1)CNC(=O)CCCC(=O)O MCULE-9361211115 [0,0,0,0,0,2|2,0,0]=4 997 B17R1.1079 CC1=CC=C(C=C1)CNC(=O)NOCC(=O)O MCULE-6792357005 [0,0,0,0,0,2|2,0,0]=4 998 B17R1.1079 O=C(O)CCCC(=O)NCC1=CC=C(C=C1)F MCULE-9952968138 [0,0,0,0,0,2|2,0,0]=4