0 B12R1.35 CCCCCS(=O)C1=CC=CS1 Z1838108977 [0,0,0,0,0,0|1,1,0]=2 1 B12R1.35 CCCCNC(=O)C1=NC=CN1 Z1262565013 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.35 COCCCS(=O)C1=CC=CS1 Z1460201386 [0,0,0,0,0,0|2,1,0]=3 3 B12R1.35 NCCCNC(=O)C1=CC=CS1 Z1262250904 [0,0,0,0,0,0|2,1,0]=3 4 B11R1.4 COCCNCC1=CC=CO1 Z111722912 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.29 CCCNC(=O)C1=CC=CO1 Z33030415 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.29 CCCNC(=O)C1=CC=CS1 Z33030702 [1,0,0,0,0,0|1,1,0]=3 7 B11R1.29 CCCNC(=O)C1=COC=C1 Z166866462 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.29 CCONC(=O)C1=CC=CS1 Z281499644 [1,0,0,0,0,0|2,1,0]=4 9 B11R1.29 N#CCCC(=O)C1=CC=CO1 Z57000489 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.29 NCCNC(=O)C1=CC=CO1 Z235361371 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.29 NCCNC(=O)C1=CC=CS1 Z259720766 [1,0,0,0,0,0|2,1,0]=4 12 B11R1.29 NCCNC(=O)C1=CC=NO1 Z1695906775 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.23 CCCCCS(=O)C1=NC(=CS1)C Z1838096648 [0,1,0,0,0,0|2,1,0]=4 14 B13R1.23 COCCNC(=O)C1=CC=C(O1)Br Z31438253 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.23 COCCNC(=O)C1=CC=C(O1)Cl Z79387684 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.23 COCCNC(=O)C1=CC=C(S1)Br Z27706926 [0,1,0,0,0,0|2,1,0]=4 17 B13R1.33 CCOC(=O)CC(=O)C1=CC=CN1 Z1198166124 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.33 CCOC(=O)CC(=O)C1=CC=CS1 Z362636712 [0,1,0,0,0,0|1,1,1]=4 19 B13R1.54 CCCCCS(=O)(=O)C1=NC=CN1 Z1837994426 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.54 CCCCNS(=O)(=O)C1=CC=CS1 Z45516921 [0,1,0,0,0,0|2,1,0]=4 21 B13R1.162 CC(CO)CNC(=O)C1=CC=CS1 Z1258592645 [0,1,0,0,0,0|2,1,0]=4 22 B13R1.162 COC(=O)CNC(=O)C1=CC=CO1 Z20191246 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.166 CCCCN(C)C(=O)C1=COC=N1 Z1127927899 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.342 CC(C)COCC(N)C1=CC=CO1 Z234895845 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.342 O=C(O)CCCC(=O)C1=CC=CS1 Z234895521 [0,1,0,0,0,0|1,1,1]=4 26 B13R1.342 O=C(O)CCNC(=O)C1=CC=CO1 Z56940975 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.725 CC1=C(OC=C1)C(=O)NCCCN Z1250080959 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.725 CCCCCS(=O)C1=C(OC=C1)C Z1838110591 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.13 CC1CCNC(C1)C2=CC=CO2 Z1197886228 [0,0,0,1,0,0|2,0,1]=4 30 B13R2.443 O=C(NCC1CC1)C2=CC=CS2 Z275845522 [0,0,0,1,0,0|1,1,0]=3 31 B13R2.443 O=C(NCC1CC1)C2=COC=C2 Z288779876 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.443 O=C(NCC1CC1)C2=CSC=C2 Z275846184 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.674 NC(C1=CC=CS1)C2CCCC2 Z3244717780 [0,0,0,1,0,0|1,1,1]=4 34 B13R2.674 O=C(C1=CC=CO1)N2CCCC2 Z31480239 [0,0,0,1,0,0|1,0,0]=2 35 B13R2.674 O=C(C1=CC=CS1)C2CCCC2 Z385420818 [0,0,0,1,0,0|0,1,0]=2 36 B13R2.674 O=C(C1=CC=CS1)N2CCCC2 Z31480526 [0,0,0,1,0,0|1,1,0]=3 37 B13R2.674 O=C(C1=COC=C1)N2CCCC2 Z166828184 [0,0,0,1,0,0|3,0,0]=4 38 B13R2.674 O=C(C1=CSC=C1)N2CCCC2 Z220752548 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.677 C1=COC(=C1)C2CCCCCN2 Z1192018738 [0,0,0,1,0,0|1,0,1]=3 40 B13R2.3040 NC1CCNC(=O)C2=C1C=CN2 Z3302295298 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.3211 NC1(CCCCC1)C2=CC=CS2 Z756109996 [0,0,0,1,0,0|1,1,1]=4 42 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 Z1219747350 [0,0,0,0,0,1|1,0,2]=4 43 B13R1.24 CCCCCC(N)C1=CC=CC=C1 Z362781052 [0,0,0,0,0,1|2,0,1]=4 44 B13R1.24 CCCCCC(O)C1=CC=CC=C1 Z445987152 [0,0,0,0,0,1|1,0,2]=4 45 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 Z31763402 [0,0,0,0,0,1|2,0,0]=3 46 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 Z104473208 [0,0,0,0,0,1|2,0,0]=3 47 B13R1.24 COCCCC(=O)C1=CN=CC=C1 Z992963354 [0,0,0,0,0,1|2,0,0]=3 48 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 Z1455806932 [0,0,0,0,0,1|3,0,0]=4 49 B13R1.156 CCCCNC(=O)NC1=NC=CS1 Z44590584 [0,0,0,0,0,1|2,1,0]=4 50 B13R1.156 CNCCCN(C)CC1=CC=CO1 Z815271232 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.21 CCNCCC1=CC=CS1 Z162417018 [2,0,0,0,0,0|1,1,0]=4 52 B10R1.11 CCOC(=O)C1=CC=CN1 Z292815334 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.11 COCC(=O)C1=CC=CO1 Z447898000 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.11 N#CCC(=O)C1=CC=CO1 Z96092816 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.15 CCC(C)NC(=O)C1=CC=CS1 Z31442374 [1,1,0,0,0,0|1,1,0]=4 56 B12R1.29 CCCNC(=O)C1=CC(=CN1)Br Z183047762 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.29 CCCNC(=O)C1=CC=C(S1)C Z33030420 [1,1,0,0,0,0|1,1,0]=4 58 B12R1.29 CCCNC(=O)C1=CC=C(S1)Cl Z33030524 [1,1,0,0,0,0|1,1,0]=4 59 B12R1.29 CCONC(=O)C1=CC=C(O1)Br Z245505826 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.54 CC(C)CCC(=O)C1=COC=C1 Z1179940260 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.54 CC(C)CNC(=O)C1=CC=CS1 Z32386134 [1,1,0,0,0,0|1,1,0]=4 62 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 Z2941377966 [1,1,0,0,0,0|1,1,0]=4 63 B12R1.460 CCCNC(=O)C1=C(C=CO1)C Z118784730 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.460 CCCNC(=O)C1=C(C=CS1)C Z33030419 [1,1,0,0,0,0|1,1,0]=4 65 B14R1.19 CCCCNC(=O)C1=CC=C(C=C1)Cl Z31763358 [0,1,0,0,0,1|2,0,0]=4 66 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)Cl Z291806332 [0,1,0,0,0,1|2,0,0]=4 67 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N Z57126994 [0,1,0,0,0,1|2,0,0]=4 68 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O Z291799028 [0,1,0,0,0,1|2,0,0]=4 69 B14R1.19 COCCCC(=O)C1=CC=C(C=C1)Br Z447807228 [0,1,0,0,0,1|2,0,0]=4 70 B14R1.20 CCCCCS(=O)C1=CC(=CC=C1)O Z1838109988 [0,1,0,0,0,1|2,0,0]=4 71 B14R1.20 CCCCOC(=O)C1=CC(=CC=C1)C Z291916492 [0,1,0,0,0,1|2,0,0]=4 72 B14R1.29 CCCC(C)NC(=O)C1=CC=CC=C1 Z54334538 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.29 CCCC(C)NC(=O)C1=NC=CN=C1 Z54334607 [0,1,0,0,0,1|2,0,0]=4 74 B14R1.38 O=C(CCNCCO)C1=CC=CC=C1 Z56770951 [0,1,0,0,0,1|2,0,0]=4 75 B14R1.420 CC(C)CCCC(=O)C1=CC=CC=C1 Z406376294 [0,1,0,0,0,1|1,0,0]=3 76 B14R1.1035 CCCCNC(=O)C1=C(C=CC=C1)Br Z30013293 [0,1,0,0,0,1|2,0,0]=4 77 B14R1.92 CCCCCNC(=O)CC1=CC=CS1 Z31446096 [0,1,0,0,0,1|0,1,0]=3 78 B14R1.92 COCCCNC(=O)CC1=CC=CS1 Z31817576 [0,1,0,0,0,1|1,1,0]=4 79 B14R1.28 CCCC(C)NC(=O)C1=CC(=CN1)Cl Z221234778 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.28 CCOC(=O)CC(=O)C1=CC=C(O1)C Z362636762 [0,2,0,0,0,0|1,0,1]=4 81 B14R1.28 COCC(C)NC(=O)C1=CC=C(O1)Br Z32926181 [0,2,0,0,0,0|2,0,0]=4 82 B14R1.37 CCCCCNC(=O)C1=CC(=CN1)Br Z139913860 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.37 CCCCCNC(=O)C1=CC(=CN1)Cl Z139913896 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.37 COCCCNC(=O)C1=CC(=CN1)Br Z139925098 [0,2,0,0,0,0|2,0,0]=4 85 B14R1.37 COCCCNC(=O)C1=CC(=CN1)Cl Z139925132 [0,2,0,0,0,0|2,0,0]=4 86 B14R1.37 COCCCNC(=O)C1=CC=C(O1)Br Z31817765 [0,2,0,0,0,0|1,0,0]=3 87 B14R1.37 COCCCNC(=O)C1=CC=C(O1)Cl Z79456427 [0,2,0,0,0,0|1,0,0]=3 88 B14R1.37 COCCCNC(=O)C1=CC=C(S1)Br Z30233624 [0,2,0,0,0,0|1,1,0]=4 89 B14R1.37 COCCCNC(=O)C1=CC=C(S1)C Z31817588 [0,2,0,0,0,0|1,1,0]=4 90 B14R1.37 COCCCNC(=O)C1=CC=C(S1)Cl Z31817692 [0,2,0,0,0,0|1,1,0]=4 91 B14R1.37 COCCCOC(=O)C1=CC=C(S1)Br Z1123440526 [0,2,0,0,0,0|1,1,0]=4 92 B14R1.1040 CCC1=CC=C(O1)C(=O)NCCOC Z367741808 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.1042 CCCCNC(=O)C1=CC(=C(S1)Br)Br Z30012292 [0,2,0,0,0,0|1,1,0]=4 94 B14R1.3022 COCCOC(=O)C1=C(C(=CO1)C)C Z2072016567 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.4268 CC(C)CCNC(=O)C1=CC(=CN1)Br Z139935078 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.137 CCOCC(C)OC(=O)C1=CC=CS1 Z1843919453 [0,2,0,0,0,0|1,1,0]=4 97 B14R1.3242 CSCC(C)OC(=O)C1=C(C=CO1)Br Z1364443454 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.100 CCOC(=O)CCC(=O)C1=CC=CS1 Z53833603 [0,2,0,0,0,0|0,1,1]=4 99 B14R1.169 CCCCCCNC(=O)C1=CC=CS1 Z68250926 [0,2,0,0,0,0|0,1,0]=3 100 B14R1.169 CCOCCCNC(=O)C1=CC=CO1 Z32751303 [0,2,0,0,0,0|0,0,0]=2 101 B14R1.169 CCOCCCNC(=O)C1=COC=C1 Z168325358 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.169 CCOCCCNC(=O)C1=CSC=C1 Z82466292 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.418 CC(C)CCCNC(=O)C1=CC=CS1 Z343534770 [0,2,0,0,0,0|0,1,0]=3 104 B14R1.418 O=C(O)CCCNC(=O)C1=CC=CO1 Z85888822 [0,2,0,0,0,0|1,0,1]=4 105 B14R1.3360 COCCCNC(=O)C1=C(C=CS1)Br Z432747482 [0,2,0,0,0,0|1,1,0]=4 106 B14R1.3360 COCCCNC(=O)C1=CC=CN1C Z68217617 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.4461 CCC(O)CNC(=O)C1=CC=CN1C Z1707866714 [0,2,0,0,0,0|2,0,0]=4 108 B14R1.4461 CC[C@@H](O)CNC(=O)C1=CC=CN1C Z2645524972 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.1045 CCCCNC(=O)C1=C(C=CS1)CC Z803323330 [0,2,0,0,0,0|1,1,0]=4 110 B12R1.455 CCCCCC1=CC=C(O1)C=O Z1511770246 [0,0,1,1,0,0|0,0,2]=4 111 B12R1.267 CCCNCC1=C(C=CC=C1)O Z316257178 [0,0,1,1,0,0|2,0,0]=4 112 B12R2.2 C1=COC(=C1)C2=CCCNC2 Z2065464374 [1,0,0,1,0,0|1,0,1]=4 113 B12R2.2 C1=COC(=C1)C2CCCCN2 Z1169540072 [1,0,0,1,0,0|1,0,1]=4 114 B12R2.2 C1=NC=C(O1)C2CCCCC2 Z2520746300 [1,0,0,1,0,0|1,0,1]=4 115 B12R2.221 CC1CCC(=O)C2=C1C=CS2 Z2216268409 [1,0,0,1,0,0|0,1,0]=3 116 B12R2.3797 O=C(C1=CC=CO1)N2CCC2 Z102876382 [1,0,0,1,0,0|1,0,0]=3 117 B12R2.3797 O=C(C1=NC=CN1)C2CCC2 Z1262583579 [1,0,0,1,0,0|2,0,0]=4 118 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 Z385417086 [0,0,0,1,0,1|1,0,0]=3 119 B14R2.114 O=C(C1=CC=CC=C1)C2CCCN2 Z3013892609 [0,0,0,1,0,1|2,0,0]=4 120 B14R2.114 O=C(C1=CC=CC=C1)C2CCNC2 Z3244741950 [0,0,0,1,0,1|2,0,0]=4 121 B14R2.114 O=C(C1=CC=CC=C1)C2CCOC2 Z802553714 [0,0,0,1,0,1|2,0,0]=4 122 B14R2.114 O=C(C1=CN=CC=C1)N2CCCC2 Z31480231 [0,0,0,1,0,1|2,0,0]=4 123 B14R2.114 O=C(C1=NC=CC=C1)C2CCCC2 Z513733776 [0,0,0,1,0,1|1,0,0]=3 124 B14R2.114 O=C(C1=NC=CC=C1)N2CCCC2 Z31480148 [0,0,0,1,0,1|2,0,0]=4 125 B14R2.792 O=C(NCC1CC1)C2=CC=CC=C2 Z288771506 [0,0,0,1,0,1|2,0,0]=4 126 B14R2.792 O=C(NCC1CC1)C2=CN=CC=C2 Z288771326 [0,0,0,1,0,1|2,0,0]=4 127 B14R2.792 O=C(NCC1CC1)C2=NC=CC=C2 Z275845152 [0,0,0,1,0,1|2,0,0]=4 128 B14R2.792 O=C(NCC1CC1)C2=NC=CN=C2 Z275845436 [0,0,0,1,0,1|2,0,0]=4 129 B14R2.793 O=C(NC1=NC=CS1)C2CCCC2 Z28173740 [0,0,0,1,0,1|1,1,0]=4 130 B14R2.255 CC1=CC=C(O1)C(=O)C2CCCC2 Z852744634 [0,1,0,1,0,0|0,0,0]=2 131 B14R2.255 CC1=CC=C(O1)C(N)C2CCCC2 Z852745186 [0,1,0,1,0,0|1,0,1]=4 132 B14R2.255 CC1=CC=C(S1)C(=O)N2CCCC2 Z31480244 [0,1,0,1,0,0|1,1,0]=4 133 B14R2.255 O=C(C1=CC(=CN1)Br)N2CCCC2 Z184688704 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.255 O=C(C1=CC=C(O1)Br)N2CCSC2 Z1127207939 [0,1,0,1,0,0|2,0,0]=4 135 B14R2.255 O=C(C1=CC=C(O1)Cl)N2CCCC2 Z79408272 [0,1,0,1,0,0|1,0,0]=3 136 B14R2.255 O=C(C1=CC=C(S1)Br)N2CCCC2 Z27753699 [0,1,0,1,0,0|1,1,0]=4 137 B14R2.255 O=C(C1=CC=C(S1)Cl)N2CCCC2 Z31480348 [0,1,0,1,0,0|1,1,0]=4 138 B14R2.1726 CCC1CNC(=O)C2=CC(=CN12)Br Z3793408947 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.4359 CC1=CC=C(O1)C2CCCCCN2 Z1224488877 [0,1,0,1,0,0|1,0,1]=4 140 B14R2.4396 CC1=CC=C(S1)C(=O)NCC2CC2 Z275845264 [0,1,0,1,0,0|1,1,0]=4 141 B14R2.4396 CC1=CSC(=C1)C(=O)NCC2CC2 Z2229681289 [0,1,0,1,0,0|1,1,0]=4 142 B14R2.4396 O=C(NCC1CC1)C2=CC=C(O2)Br Z275845464 [0,1,0,1,0,0|1,0,0]=3 143 B14R2.4396 O=C(NCC1CC1)C2=CC=C(O2)Cl Z288784464 [0,1,0,1,0,0|1,0,0]=3 144 B14R2.4396 O=C(NCC1CC1)C2=CC=C(S2)Cl Z288771918 [0,1,0,1,0,0|1,1,0]=4 145 B14R2.9250 CC1CCNC(=O)C2=CC(=CN12)Br Z1259192723 [0,1,0,1,0,0|2,0,0]=4 146 B14R2.308 CC1=C(OC=C1)C(=O)N2CCCC2 Z118699858 [0,1,0,1,0,0|1,0,0]=3 147 B14R2.308 CC1=C(SC=C1)C(=O)N2CCCC2 Z31480243 [0,1,0,1,0,0|1,1,0]=4 148 B14R2.308 O=C(C1=C(C=CO1)Br)N2CCCC2 Z1359970240 [0,1,0,1,0,0|1,0,0]=3 149 B14R2.15286 CC(NC(=O)C1=CC=CO1)C2CC2 Z102343722 [0,1,0,1,0,0|1,0,0]=3 150 B14R2.5218 CC1=C(OC=C1)C(=O)NCC2CC2 Z275846504 [0,1,0,1,0,0|1,0,0]=3 151 B14R2.5218 CC1=C(SC=C1)C(=O)NCC2CC2 Z288771412 [0,1,0,1,0,0|1,1,0]=4 152 B14R2.21853 O=C(NC1CSC1)C2=C(C=CO2)Br Z2670613706 [0,1,0,1,0,0|2,0,0]=4 153 B12R1.8 CCCCCOC1=CC=CC=C1 Z239095428 [1,0,0,0,0,1|2,0,0]=4 154 B12R1.30 CCCNC(=O)C1=CN=CC=C1 Z33030407 [1,0,0,0,0,1|2,0,0]=4 155 B12R1.30 CCCNC(=O)C1=NC=CC=C1 Z33030324 [1,0,0,0,0,1|2,0,0]=4 156 B12R1.30 CCCNC(=O)C1=NC=CN=C1 Z33030588 [1,0,0,0,0,1|2,0,0]=4 157 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [1,0,0,0,0,1|2,0,0]=4 158 B12R1.30 CCSCC(=O)C1=CC=CC=C1 Z447928014 [1,0,0,0,0,1|2,0,0]=4 159 B12R1.30 CSCCC(=O)C1=CC=CC=C1 Z1201679033 [1,0,0,0,0,1|2,0,0]=4 160 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 Z104477558 [1,0,0,0,0,1|2,0,0]=4 161 B14R1.158 CCCCNC(=O)NC1=CN=CC=C1 Z44592348 [0,0,0,0,0,2|2,0,0]=4 162 B14R1.158 CNCCCC(=O)NC1=CC=CC=C1 Z1457920724 [0,0,0,0,0,2|2,0,0]=4 163 B14R1.158 CSCCCC(=O)NC1=NC=CN=C1 Z1696945664 [0,0,0,0,0,2|2,0,0]=4