0 B8R1.7 CC(=O)C1=CNC=N1 Z1198183596 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.7 CC(=O)C1=CNN=N1 Z4098008860 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 CC(=O)C1=COC=N1 Z1255437997 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.7 CC(=O)C1=CSC=N1 Z1198162939 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 CC(=O)C1=CSN=N1 Z1386913199 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 CC(=O)C1=NC=CN1 Z2768175711 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.7 CC(=O)C1=NC=CO1 Z1198173545 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.7 CC(=O)C1=NC=CS1 Z1069877574 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.7 CC(=O)C1=NNC=C1 Z1201023059 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.7 CC(=O)C1=NNC=N1 Z1216858052 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.7 CC(=O)C1=NSC=C1 Z1513630804 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.7 CC(N)C1=NCCN1 Z2754060679 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,0,0,0,0,0|1,0,3]=4 16 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 N=C(N)N1CCCC1 Z161313378 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.7 NC(=O)C1=CNC=N1 Z1147451838 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.7 NC(=O)C1=CNN=N1 Z803943044 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.7 NC(=O)C1=COC=N1 Z1127744342 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.7 NC(=O)C1=NC=CN1 Z1198218632 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.7 NC(=O)C1=NC=CS1 Z1198177216 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.7 NC(=O)C1=NOC=C1 Z875021158 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.7 NC(=O)C1=NOC=N1 Z1203587255 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,0,0,0,0,0|2,0,1]=3 27 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,0,0,0|1,0,2]=3 28 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,0,0,0,0,0|2,0,2]=4 32 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.7 NC(=S)N1CCCC1 Z55928944 [0,0,0,0,0,0|3,1,0]=4 34 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [0,0,0,0,0,0|0,0,4]=4 35 B8R1.7 O=C(O)C1=CC=CO1 Z104473462 [0,0,0,0,0,0|1,0,3]=4 36 B8R1.7 O=C(O)C1=CC=NO1 Z56943419 [0,0,0,0,0,0|2,0,2]=4 37 B8R1.7 O=C(O)C1=CC=NS1 Z1079264356 [0,0,0,0,0,0|2,0,2]=4 38 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,0,0,0,0,0|1,0,0]=1 39 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,0,0,0,0,0|1,0,1]=2 40 B8R1.7 O=C(O)C1=CN=CN1 Z993967082 [0,0,0,0,0,0|1,0,3]=4 41 B8R1.7 O=C(O)C1=CN=CO1 Z204020264 [0,0,0,0,0,0|2,0,2]=4 42 B8R1.7 O=C(O)C1=CN=CS1 Z204146918 [0,0,0,0,0,0|2,0,2]=4 43 B8R1.7 O=C(O)C1=CN=NS1 Z425800944 [0,0,0,0,0,0|3,0,1]=4 44 B8R1.7 O=C(O)C1=CNC=C1 Z1154253207 [0,0,0,0,0,0|2,0,2]=4 45 B8R1.7 O=C(O)C1=CNN=C1 Z275128380 [0,0,0,0,0,0|3,0,1]=4 46 B8R1.7 O=C(O)C1=CNN=N1 Z1814381620 [0,0,0,0,0,0|2,0,1]=3 47 B8R1.7 O=C(O)C1=COC=C1 Z164706016 [0,0,0,0,0,0|2,0,2]=4 48 B8R1.7 O=C(O)C1=COC=N1 Z1095349994 [0,0,0,0,0,0|1,0,2]=3 49 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,0,0,0,0,0|2,0,0]=2 50 B8R1.7 O=C(O)C1=CSC=C1 Z147647094 [0,0,0,0,0,0|2,0,2]=4 51 B8R1.7 O=C(O)C1=CSC=N1 Z800222638 [0,0,0,0,0,0|1,0,2]=3 52 B8R1.7 O=C(O)C1=CSN=C1 Z1198181914 [0,0,0,0,0,0|3,0,1]=4 53 B8R1.7 O=C(O)C1=CSN=N1 Z178960862 [0,0,0,0,0,0|2,0,1]=3 54 B8R1.7 O=C(O)C1=NNC=C1 Z381357668 [0,0,0,0,0,0|1,0,2]=3 55 B8R1.7 O=C(O)C1=NOC=C1 Z147642256 [0,0,0,0,0,0|1,0,2]=3 56 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,0,0,0,0,0|1,0,0]=1 57 B8R1.7 O=C(O)C1=NON=C1 Z1201620383 [0,0,0,0,0,0|2,0,1]=3 58 B8R1.7 O=C(O)C1=NSC=C1 Z1198233153 [0,0,0,0,0,0|1,0,2]=3 59 B8R1.7 O=C(O)C1=NSN=C1 Z425800962 [0,0,0,0,0,0|2,0,1]=3 60 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,0,0,0,0,0|0,0,4]=4 61 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,0,0,0,0,0|1,0,3]=4 62 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,0,0,0|1,0,1]=2 63 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,0,0,0|0,0,2]=2 64 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,0,0,0,0|1,0,1]=2 65 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,0,0,0|1,0,1]=2 66 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,0,0,0,0,0|2,0,1]=3 67 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,0,0,0,0,0|2,0,1]=3 68 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,0,0,0,0,0|2,0,1]=3 69 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,0,0,0,0,0|2,0,1]=3 70 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,0,0,0,0,0|1,0,2]=3 71 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,0,0,0,0,0|1,0,2]=3 72 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,0,0,0,0,0|2,0,1]=3 73 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,0,0,0,0,0|2,0,1]=3 74 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,0,0,0|0,0,2]=2 75 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,0,0,0,0,0|1,0,2]=3 76 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,0,0,0|0,0,2]=2 77 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,0,0,0,0,0|1,0,2]=3 78 B8R1.7 O=C([O-])C1=NC=CO1 Z2689946948 [0,0,0,0,0,0|1,0,3]=4 79 B8R1.7 OB(O)C1=CCCC1 Z1201621640 [0,0,0,0,0,0|2,0,1]=3 80 B8R1.7 OB(O)C1CCCC1 Z1147227731 [0,0,0,0,0,0|2,0,2]=4 81 B8R1.7 S=C(S)N1CCCC1 Z56946833 [0,0,0,0,0,0|2,2,0]=4 82 B7R1.1 CNC1=NCCN1 Z3072981652 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 CNC1=NCCS1 Z744843656 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.1 COC1=NCCC1 Z147641734 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.1 CSC1=NCCN1 Z56790627 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 NCC1=NCCN1 Z2714784585 [1,0,0,0,0,0|2,0,1]=4 87 B7R1.1 NCC1=NOCC1 Z3217343112 [1,0,0,0,0,0|2,0,1]=4 88 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,0,0,0,0,0|1,0,0]=2 89 B7R1.1 O=CC1=CCSC1 Z57981092 [1,0,0,0,0,0|2,0,0]=3 90 B7R1.1 O=CC1=COC=N1 Z1255431640 [1,0,0,0,0,0|1,0,2]=4 91 B7R1.1 O=CC1=CSC=N1 Z734052598 [1,0,0,0,0,0|1,0,2]=4 92 B7R1.1 O=CC1=CSN=N1 Z367664148 [1,0,0,0,0,0|2,0,1]=4 93 B7R1.1 O=CC1=NNC=C1 Z234896951 [1,0,0,0,0,0|1,0,2]=4 94 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,0,0,0|1,0,1]=3 95 B7R1.1 O=CC1CCOC1 Z199056102 [1,0,0,0,0,0|2,0,1]=4 96 B7R1.1 O=CC1CCSC1 Z1201681645 [1,0,0,0,0,0|2,0,1]=4 97 B7R1.1 O=CN1CCCC1 Z1255394997 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.1 OCC1CCCC1 Z397587414 [1,0,0,0,0,0|1,0,2]=4 99 B7R1.1 OCC1CCCN1 Z825308062 [1,0,0,0,0,0|0,0,3]=4 100 B7R1.1 OCC1CCCS1 Z1201679857 [1,0,0,0,0,0|1,0,2]=4 101 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [1,0,0,0,0,0|0,0,3]=4 102 B9R1.11 C=CC(=O)N1CCCC1 Z440633532 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.11 CNC(=O)C1=CCCC1 Z1203734370 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.11 CNC(=O)C1CCCN1 Z252845110 [0,1,0,0,0,0|1,0,2]=4 106 B9R1.11 COC(=O)C1=CNN=N1 Z803145208 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.11 COC(=O)C1=NC=CN1 Z2680007886 [0,1,0,0,0,0|1,0,2]=4 108 B9R1.11 COC(=O)C1=NC=CS1 Z1198724057 [0,1,0,0,0,0|1,0,2]=4 109 B9R1.11 COC(=O)C1=NNC=C1 Z445222298 [0,1,0,0,0,0|1,0,2]=4 110 B9R1.11 COC(=O)C1=NOC=N1 Z1443585339 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.11 COC(=O)C1=NSC=C1 Z1255441912 [0,1,0,0,0,0|1,0,2]=4 112 B9R1.11 COC(=O)C1CCCC1 Z18376105 [0,1,0,0,0,0|1,0,1]=3 113 B9R1.11 COC(=O)C1CCCN1 Z240133664 [0,1,0,0,0,0|0,0,2]=3 114 B9R1.11 COC(=O)C1CCNC1 Z1162448855 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.11 COC(=O)C1CCNO1 Z3182027836 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.11 COC(=O)C1CCOC1 Z802555348 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.11 COC(=O)C1CCSS1 Z3302120689 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.11 COC(=O)C1NCCS1 Z1203162102 [0,1,0,0,0,0|1,0,2]=4 119 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [0,1,0,0,0,0|0,0,2]=3 120 B9R1.11 N/C(=N\O)/C1CCCC1 Z285132798 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.11 NCC(=O)N1CCCC1 Z1449745390 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.11 NNC(=O)C1CCCC1 Z58981928 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.11 O=C(CCl)C1CCCC1 Z1198266546 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.11 O=C(CCl)C1CCCO1 Z1205660980 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.11 O=C(CCl)N1CCCC1 Z56896279 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.11 O=C(NO)C1CCCO1 Z59183015 [0,1,0,0,0,0|1,0,1]=3 128 B9R1.35 CC(=O)N1CCC(C1)I Z1486011417 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.35 CC(=O)N1CCC(C1)N Z1421529530 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.35 CC(=O)N1CCC(C1)O Z1037571952 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.35 CC(=O)N1CC[C@H](C1)N Z4485354356 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.35 CC1=CC(=NN1)C(=O)O Z752370868 [0,1,0,0,0,0|1,0,2]=4 133 B9R1.35 CC1=CNC(=N1)C(=O)O Z2265206911 [0,1,0,0,0,0|1,0,2]=4 134 B9R1.35 CC1=NC(=CN1)C(=O)O Z969202142 [0,1,0,0,0,0|1,0,2]=4 135 B9R1.35 CC1=NC(=CS1)C(=O)O Z381356522 [0,1,0,0,0,0|1,0,2]=4 136 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,1,0,0,0,0|1,0,0]=2 137 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,1,0,0,0,0|2,0,1]=4 138 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,1,0,0,0,0|1,0,1]=3 139 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,1,0,0,0,0|1,0,1]=3 140 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,1,0,0,0,0|1,0,2]=4 141 B9R1.35 CN1C=C(N=N1)C(=O)O Z931062830 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.35 CN1C=CC(=N1)C(=O)O Z275170294 [0,1,0,0,0,0|1,0,2]=4 143 B9R1.35 CN1C=NC(=N1)C(=O)O Z1205656886 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.35 CN1N=CC(=N1)C(=O)O Z969757392 [0,1,0,0,0,0|2,0,1]=4 146 B9R1.35 CN1N=NC(=N1)C(=O)O Z1205494128 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,1,0,0,0,0|0,0,2]=3 148 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,1,0,0,0,0|1,0,1]=3 149 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [0,1,0,0,0,0|1,0,2]=4 150 B9R1.35 NC(=O)N1CCC(C1)N Z1342879018 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [0,1,0,0,0,0|1,0,2]=4 152 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [0,1,0,0,0,0|2,0,1]=4 153 B9R1.35 NC1=NC(=CS1)C(=O)O Z337709420 [0,1,0,0,0,0|1,0,2]=4 154 B9R1.35 NC1=NNC(=N1)C(=O)O Z56922164 [0,1,0,0,0,0|2,0,1]=4 155 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,1,0,0,0,0|1,0,2]=4 156 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,1,0,0,0,0|1,0,1]=3 157 B9R1.35 O=C(O)C1=CNC(=N1)S Z274566848 [0,1,0,0,0,0|1,0,2]=4 158 B9R1.35 O=C(O)C1=COC(=N1)Cl Z1198305489 [0,1,0,0,0,0|1,0,2]=4 159 B9R1.35 O=C(O)C1=CSC(=N1)Cl Z1201625300 [0,1,0,0,0,0|1,0,2]=4 160 B9R1.35 O=C(O)C1=CSC(=N1)S Z1262515699 [0,1,0,0,0,0|1,0,2]=4 161 B9R1.35 O=C(O)C1=NC(=CS1)Br Z1258597092 [0,1,0,0,0,0|1,0,2]=4 162 B9R1.35 O=C(O)C1=NNC(=C1)Br Z1416184726 [0,1,0,0,0,0|1,0,2]=4 163 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,1,0,0,0,0|1,0,1]=3 164 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,1,0,0,0,0|0,0,2]=3 165 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,1,0,0,0,0|0,0,2]=3 166 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,1,0,0,0,0|0,0,2]=3 167 B9R1.35 O=C1CC(=NN1)C(=O)O Z815290366 [0,1,0,0,0,0|1,0,1]=3 168 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,1,0,0,0,0|1,0,2]=4 169 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,1,0,0,0,0|0,0,3]=4 170 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,1,0,0,0,0|1,0,2]=4 171 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,1,0,0,0,0|1,0,2]=4 172 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,1,0,0,0,0|0,0,3]=4 173 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,1,0,0,0,0|0,0,3]=4 174 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,1,0,0,0,0|0,0,3]=4 175 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,1,0,0,0,0|1,0,2]=4 176 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [0,1,0,0,0,0|1,0,0]=2 177 B9R1.41 CC1=C(N=CO1)C(=O)O Z803803202 [0,1,0,0,0,0|1,0,2]=4 178 B9R1.41 CC1=C(N=CS1)C(=O)O Z1198169843 [0,1,0,0,0,0|1,0,2]=4 179 B9R1.41 CC1=C(N=NN1)C(=O)O Z931395754 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.41 CC1=C(N=NS1)C(=O)O Z1198168332 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.41 CC1=CNN=C1C(=O)O Z1205493880 [0,1,0,0,0,0|1,0,2]=4 182 B9R1.41 CC1=CON=C1C(=O)O Z1160906137 [0,1,0,0,0,0|1,0,2]=4 183 B9R1.41 CC1=NON=C1C(=O)O Z406351110 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,1,0,0,0,0|1,0,1]=3 185 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [0,1,0,0,0,0|0,0,2]=3 186 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [0,1,0,0,0,0|2,0,1]=4 187 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [0,1,0,0,0,0|2,0,1]=4 188 B9R1.41 CN1CCCC1C(=O)O Z424762078 [0,1,0,0,0,0|0,0,2]=3 189 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [0,1,0,0,0,0|0,0,2]=3 190 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [0,1,0,0,0,0|1,0,2]=4 191 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [0,1,0,0,0,0|2,0,1]=4 192 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [0,1,0,0,0,0|2,0,1]=4 193 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [0,1,0,0,0,0|2,0,1]=4 194 B9R1.41 NC1=CNN=C1C(=O)O Z1198219100 [0,1,0,0,0,0|1,0,2]=4 195 B9R1.41 NC1=CSN=C1C(=O)O Z1428158832 [0,1,0,0,0,0|1,0,2]=4 196 B9R1.41 NC1=NON=C1C(=O)O Z57153454 [0,1,0,0,0,0|2,0,1]=4 197 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,1,0,0,0,0|1,0,1]=3 198 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [0,1,0,0,0,0|0,0,2]=3 199 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [0,1,0,0,0,0|0,0,2]=3 200 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,1,0,0,0,0|1,0,1]=3 201 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,1,0,0,0,0|1,0,1]=3 202 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,1,0,0,0,0|1,0,1]=3 203 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [0,1,0,0,0,0|1,0,0]=2 204 B9R1.41 O=C(O)C1=NNC=C1F Z1205496349 [0,1,0,0,0,0|1,0,2]=4 205 B9R1.41 O=C(O)C1=NSN=C1O Z1205494402 [0,1,0,0,0,0|2,0,1]=4 206 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [0,1,0,0,0,0|1,0,1]=3 207 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [0,1,0,0,0,0|2,0,1]=4 208 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [0,1,0,0,0,0|0,0,2]=3 209 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,1,0,0,0,0|2,0,1]=4 210 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [0,1,0,0,0,0|2,0,1]=4 211 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,1,0,0,0,0|1,0,1]=3 212 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,1,0,0,0,0|0,0,2]=3 213 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,1,0,0,0,0|1,0,1]=3 214 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,1,0,0,0,0|1,0,1]=3 215 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,1,0,0,0,0|2,0,1]=4 216 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,1,0,0,0,0|2,0,1]=4 217 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,1,0,0,0,0|2,0,1]=4 218 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,1,0,0,0,0|2,0,1]=4 219 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,1,0,0,0,0|1,0,1]=3 220 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,1,0,0,0,0|2,0,1]=4 221 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,1,0,0,0,0|2,0,1]=4 222 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,1,0,0,0,0|1,0,1]=3 223 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,1,0,0,0,0|2,0,1]=4 224 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [0,0,1,0,0,0|1,0,2]=4 226 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,0,1,0,0,0|1,0,2]=4 227 B7R0.4 CC(=O)NCCCN Z295405102 [0,0,1,0,0,0|2,0,1]=4 228 B7R0.4 CC(=O)NCCCO Z353570744 [0,0,1,0,0,0|3,0,0]=4 229 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,0,1,0,0,0|1,0,0]=2 230 B7R0.4 CCCCCC(=O)O Z104503532 [0,0,1,0,0,0|1,0,1]=3 231 B7R0.4 CCCCOC(=O)N Z104476286 [0,0,1,0,0,0|3,0,0]=4 232 B7R0.4 CCCNCC(=O)N Z2211231296 [0,0,1,0,0,0|1,0,2]=4 233 B7R0.4 CCCNCC(=O)O Z744582718 [0,0,1,0,0,0|0,0,2]=3 234 B7R0.4 CCCOCC(=O)O Z406677750 [0,0,1,0,0,0|1,0,1]=3 235 B7R0.4 CCCSCC(=O)C Z447929234 [0,0,1,0,0,0|2,0,1]=4 236 B7R0.4 CCCSCC(=O)O Z228425458 [0,0,1,0,0,0|1,0,1]=3 237 B7R0.4 CCNCCC(=O)O Z1869802098 [0,0,1,0,0,0|2,0,1]=4 238 B7R0.4 CCOCCC(=O)O Z316258938 [0,0,1,0,0,0|2,0,1]=4 239 B7R0.4 CCSCCC(=O)O Z197206046 [0,0,1,0,0,0|2,0,1]=4 240 B7R0.4 CNCCCC(=O)O Z57043473 [0,0,1,0,0,0|2,0,1]=4 241 B7R0.4 COCCCC(=O)O Z316258912 [0,0,1,0,0,0|2,0,1]=4 242 B7R0.4 CSCCCC(=O)O Z54602911 [0,0,1,0,0,0|2,0,1]=4 243 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,0,1,0,0,0|0,0,3]=4 244 B7R0.4 NC(=O)NCCCO Z198194722 [0,0,1,0,0,0|3,0,0]=4 245 B7R0.4 NCCCCC(=O)N Z1639630947 [0,0,1,0,0,0|1,0,2]=4 246 B7R0.4 NCCCCC(=O)O Z271111992 [0,0,1,0,0,0|0,0,2]=3 247 B7R0.4 NCCCOC(=O)N Z3337481796 [0,0,1,0,0,0|2,0,1]=4 248 B7R0.4 NCCNCC(=O)O Z2692249907 [0,0,1,0,0,0|1,0,2]=4 249 B7R0.4 NCCOCC(=O)O Z1650039500 [0,0,1,0,0,0|1,0,2]=4 250 B7R0.4 NCCSCC(=O)O Z1381287295 [0,0,1,0,0,0|1,0,2]=4 251 B7R0.4 O=C(O)CCCCBr Z104479696 [0,0,1,0,0,0|1,0,1]=3 252 B7R0.4 O=C(O)CCCCS Z808230828 [0,0,1,0,0,0|1,0,1]=3 253 B7R0.4 O=C(O)CNCCO Z425411352 [0,0,1,0,0,0|1,0,2]=4 254 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,0,1,0,0,0|1,0,2]=4 255 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,0,1,0,0,0|2,0,1]=4 256 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,0,1,0,0,0|1,0,1]=3 257 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,0,1,0,0,0|0,0,2]=3 258 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,0,1,0,0,0|0,0,2]=3 259 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,0,1,0,0,0|0,0,2]=3 260 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,0,1,0,0,0|0,0,2]=3 261 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,0,1,0,0,0|3,0,0]=4 262 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,0,1,0,0,0|3,0,0]=4 263 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,0,1,0,0,0|1,0,1]=3 264 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,0,1,0,0,0|2,0,1]=4 265 B7R0.5 COCC(C)C(=O)O Z431541094 [0,0,1,0,0,0|2,0,1]=4 266 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,0,1,0,0,0|1,0,2]=4 267 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,0,1,0,0,0|2,0,1]=4 268 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,0,1,0,0,0|1,0,2]=4 269 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,0,1,0,0,0|1,0,2]=4 270 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,0,1,0,0,0|1,0,2]=4 271 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,0,1,0,0,0|2,0,1]=4 272 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,0,1,0,0,0|1,0,2]=4 273 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,0,1,0,0,0|2,0,1]=4 274 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,0,1,0,0,0|1,0,2]=4 275 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,0,1,0,0,0|1,0,2]=4 276 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,0,1,0,0,0|2,0,1]=4 277 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,0,1,0,0,0|2,0,1]=4 278 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,0,1,0,0,0|0,0,2]=3 279 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,0,1,0,0,0|1,0,1]=3 280 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,0,1,0,0,0|1,0,1]=3 281 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [0,0,1,0,0,0|3,0,0]=4 282 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,0,1,0,0,0|3,0,0]=4 283 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,0,1,0,0,0|1,0,2]=4 284 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,0,1,0,0,0|2,0,1]=4 285 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [0,0,0,1,0,0|2,0,1]=4 286 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [0,0,0,1,0,0|2,0,1]=4 287 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,0,0,1,0|1,0,2]=4 289 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,0,0,0,1,0|2,0,1]=4 290 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,0,1,0|1,0,1]=3 291 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,0,1,0|2,0,1]=4 292 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,0,1,0|0,0,1]=2 293 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,0,1,0|0,0,2]=3 294 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,0,1,0|1,0,1]=3 295 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,0,1,0|1,0,1]=3 296 B9R1.6 BrC(=C1CCNCC1)Br Z4605543655 [0,0,0,0,0,1|3,0,0]=4 297 B9R1.6 CC(=O)C1=CNCCC1 Z238880918 [0,0,0,0,0,1|1,0,1]=3 298 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,0,0,0,1|1,0,2]=4 299 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,0,0,0,0,1|2,0,1]=4 300 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,0,0,0,0,1|2,0,1]=4 301 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,0,0,0,0,1|2,0,1]=4 302 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,0,0,0,1|1,0,2]=4 304 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,0,0,0,1|1,0,2]=4 305 B9R1.6 FC(=C1CCNCC1)F Z2466331829 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.6 NC(=O)C1=CNCCC1 Z1201618199 [0,0,0,0,0,1|1,0,1]=3 307 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,0,0,0,0,1|2,0,1]=4 308 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,0,0,0,0,1|1,0,2]=4 309 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,0,0,0,0,1|1,0,2]=4 310 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,0,0,0,0,1|2,0,1]=4 311 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,0,0,0,0,1|2,0,1]=4 312 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,0,0,0,0,1|1,0,2]=4 313 B9R1.6 NC(=O)C1CNCCO1 Z854097660 [0,0,0,0,0,1|2,0,1]=4 314 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,0,0,0,0,1|1,0,2]=4 315 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,0,0,0,0,1|3,0,0]=4 316 B9R1.6 NC(=O)N1CCNCC1 Z1473962055 [0,0,0,0,0,1|3,0,0]=4 317 B9R1.6 NC(=O)[C@@H]1CNCCO1 Z2434225518 [0,0,0,0,0,1|2,0,1]=4 318 B9R1.6 NC(=O)[C@H]1CNCCO1 Z2434225532 [0,0,0,0,0,1|2,0,1]=4 319 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [0,0,0,0,0,1|1,0,0]=2 320 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,0,0,0,0,1|1,0,0]=2 321 B9R1.6 O=C(O)C1=CN=CC=C1 Z56755709 [0,0,0,0,0,1|0,0,3]=4 322 B9R1.6 O=C(O)C1=CN=CN=C1 Z336079948 [0,0,0,0,0,1|1,0,2]=4 323 B9R1.6 O=C(O)C1=CN=NC=C1 Z1182328443 [0,0,0,0,0,1|1,0,2]=4 324 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [0,0,0,0,0,1|1,0,0]=2 325 B9R1.6 O=C(O)C1=COCCO1 Z56757223 [0,0,0,0,0,1|1,0,1]=3 326 B9R1.6 O=C(O)C1=NC=CC=C1 Z57968195 [0,0,0,0,0,1|0,0,3]=4 327 B9R1.6 O=C(O)C1=NC=CC=N1 Z1259341107 [0,0,0,0,0,1|0,0,3]=4 328 B9R1.6 O=C(O)C1=NC=CN=C1 Z104476002 [0,0,0,0,0,1|0,0,3]=4 329 B9R1.6 O=C(O)C1=NC=NC=C1 Z57064900 [0,0,0,0,0,1|0,0,3]=4 330 B9R1.6 O=C(O)C1=NN=CC=C1 Z1201621268 [0,0,0,0,0,1|0,0,3]=4 331 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,0,0,0,0,1|1,0,1]=3 332 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [0,0,0,0,0,1|0,0,3]=4 333 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [0,0,0,0,0,1|1,0,2]=4 334 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,0,0,0,0,1|1,0,2]=4 335 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,0,0,0,0,1|0,0,3]=4 336 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,0,0,0,1|1,0,1]=3 337 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,0,0,0,1|0,0,2]=3 338 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,0,0,0,1|1,0,1]=3 339 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,0,0,0,1|0,0,2]=3 340 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,0,0,0,1|1,0,1]=3 341 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,0,0,0,1|1,0,1]=3 342 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,0,0,0,0,1|1,0,1]=3 343 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [0,0,0,0,0,1|0,0,2]=3 344 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,0,0,0,0,1|1,0,1]=3 345 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,0,0,0,0,1|1,0,1]=3 346 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,0,0,0,0,1|1,0,1]=3 347 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,0,0,0,1|0,0,2]=3 348 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [0,0,0,0,0,1|1,0,2]=4 349 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,0,0,0,0,1|0,0,2]=3 350 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,0,0,0,0,1|0,0,2]=3 351 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,0,0,0,0,1|1,0,1]=3 352 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,0,0,0,0,1|1,0,1]=3 353 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [0,0,0,0,0,1|1,0,1]=3 354 B9R1.6 O=C(O)C1SCSCS1 Z221524182 [0,0,0,0,0,1|2,0,1]=4 355 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,0,0,0,1|0,0,2]=3 356 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,0,0,0,0,1|2,0,1]=4 357 B9R1.13 CC(=O)NC1=NCCS1 Z30009074 [0,0,0,0,0,1|2,0,0]=3 358 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [0,0,0,0,0,1|2,0,1]=4 359 B9R1.13 NC(=O)C=C1CCCC1 Z741560360 [0,0,0,0,0,1|2,0,0]=3 360 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,0,0,0,0,1|2,0,1]=4 361 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,0,0,0,0,1|1,0,2]=4 362 B9R1.13 NC(=O)CN1CCCC1 Z1184886892 [0,0,0,0,0,1|3,0,0]=4 363 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [0,0,0,0,0,1|2,0,1]=4 364 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [0,0,0,0,0,1|1,0,0]=2 365 B9R1.13 O=C(O)CC1=CSC=N1 Z800222640 [0,0,0,0,0,1|1,0,2]=4 366 B9R1.13 O=C(O)CC1=CSN=N1 Z1205495044 [0,0,0,0,0,1|2,0,1]=4 367 B9R1.13 O=C(O)CC1=NC=CN1 Z2189284070 [0,0,0,0,0,1|1,0,2]=4 368 B9R1.13 O=C(O)CC1=NN=CN1 Z2372279646 [0,0,0,0,0,1|2,0,1]=4 369 B9R1.13 O=C(O)CC1=NN=NN1 Z168818410 [0,0,0,0,0,1|3,0,0]=4 370 B9R1.13 O=C(O)CC1=NOC=C1 Z1198279888 [0,0,0,0,0,1|1,0,2]=4 371 B9R1.13 O=C(O)CC1=NSC=C1 Z1198313566 [0,0,0,0,0,1|1,0,2]=4 372 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [0,0,0,0,0,1|1,0,2]=4 373 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,0,0,0,0,1|1,0,1]=3 374 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,0,0,0,0,1|0,0,2]=3 375 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,0,0,0,0,1|2,0,1]=4 376 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,0,0,0,0,1|2,0,1]=4 377 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [0,0,0,0,0,1|2,0,1]=4 378 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [0,0,0,0,0,1|2,0,0]=3 379 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [0,0,0,0,0,1|1,0,1]=3 380 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,0,0,0,0,1|2,0,1]=4 381 B6R0.4 C#CCCC(=O)O Z295890062 [1,0,1,0,0,0|1,0,1]=4 382 B6R0.4 C=CCCC(=O)O Z995028722 [1,0,1,0,0,0|1,0,1]=4 383 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,0,1,0,0,0|0,0,1]=3 384 B6R0.4 CCC#CC(=O)O Z1205493735 [1,0,1,0,0,0|0,0,2]=4 385 B6R0.4 CCCCC(=O)N Z104476278 [1,0,1,0,0,0|1,0,1]=4 386 B6R0.4 CCCCC(=O)O Z104473312 [1,0,1,0,0,0|0,0,1]=3 387 B6R0.4 CCCNC(=O)C Z33030314 [1,0,1,0,0,0|1,0,1]=4 388 B6R0.4 CCCOC(=O)N Z1198148877 [1,0,1,0,0,0|2,0,0]=4 389 B6R0.4 CCNCC(=O)O Z744593094 [1,0,1,0,0,0|0,0,2]=4 390 B6R0.4 CCOCC(=O)O Z104495232 [1,0,1,0,0,0|1,0,1]=4 391 B6R0.4 COCCC(=O)O Z285184634 [1,0,1,0,0,0|1,0,1]=4 392 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,0,1,0,0,0|1,0,1]=4 393 B6R0.4 CSCCC(=O)O Z54719251 [1,0,1,0,0,0|1,0,1]=4 394 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,1,0,0,0|2,0,0]=4 395 B6R0.4 NCCCC(=O)N Z398513418 [1,0,1,0,0,0|1,0,1]=4 396 B6R0.4 NCCCC(=O)O Z104475620 [1,0,1,0,0,0|0,0,1]=3 397 B6R0.4 NCCCS(=O)O Z1203579399 [1,0,1,0,0,0|1,0,1]=4 398 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,0,1,0,0,0|1,0,1]=4 399 B6R0.4 O=C(O)CCCS Z147642510 [1,0,1,0,0,0|1,0,0]=3 400 B6R0.1 CCCC(=O)NO Z59181937 [1,0,1,0,0,0|2,0,0]=4 401 B6R0.3 CC(CN)C(=O)O Z431542704 [1,0,1,0,0,0|1,0,1]=4 402 B6R0.3 CC(CO)C(=O)O Z431541400 [1,0,1,0,0,0|1,0,1]=4 403 B6R0.3 CCC(C)C(=O)N Z270978420 [1,0,1,0,0,0|1,0,1]=4 404 B6R0.3 CCC(C)C(=O)O Z237374874 [1,0,1,0,0,0|0,0,1]=3 405 B6R0.3 CCC(N)C(=O)O Z104495144 [1,0,1,0,0,0|0,0,2]=4 406 B6R0.3 CCC(O)C(=O)O Z246073650 [1,0,1,0,0,0|1,0,1]=4 407 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,0,1,0,0,0|0,0,2]=4 408 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,0,1,0,0,0|0,0,1]=3 409 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,0,1,0,0,0|0,0,2]=4 410 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,0,1,0,0,0|0,0,2]=4 411 B6R0.3 COC(C)C(=O)O Z316258898 [1,0,1,0,0,0|1,0,1]=4 412 B6R0.3 CSC(C)C(=O)O Z149191750 [1,0,1,0,0,0|1,0,1]=4 413 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,0,1,0,0,0|2,0,0]=4 414 B6R1.2 C=C1CCNC1 Z3019986853 [2,0,0,0,0,0|2,0,0]=4 415 B6R1.2 CC1=NCCN1 Z204020260 [2,0,0,0,0,0|1,0,1]=4 416 B6R1.2 CC1=NCCS1 Z104480256 [2,0,0,0,0,0|1,0,1]=4 417 B6R1.2 N=C1CCCN1 Z204007506 [2,0,0,0,0,0|1,0,1]=4 418 B6R1.2 NC1=NCCO1 Z336087916 [2,0,0,0,0,0|2,0,0]=4 419 B6R1.2 NC1=NNCC1 Z1569708704 [2,0,0,0,0,0|2,0,0]=4 420 B6R1.2 O=C1CCCN1 Z104472846 [2,0,0,0,0,0|0,0,1]=3 421 B6R1.2 O=C1CCNC1 Z1741976513 [2,0,0,0,0,0|2,0,0]=4 422 B6R1.2 O=C1CCNN1 Z2935001239 [2,0,0,0,0,0|1,0,1]=4 423 B6R1.2 O=C1CCSC1 Z104495638 [2,0,0,0,0,0|2,0,0]=4 424 B6R1.2 O=C1NCCN1 Z104494954 [2,0,0,0,0,0|1,0,1]=4 425 B6R1.2 O=C1NCCO1 Z104474784 [2,0,0,0,0,0|1,0,1]=4 426 B6R1.2 O=C1NCCS1 Z55928860 [2,0,0,0,0,0|1,0,1]=4 427 B6R1.2 O=C1OCCO1 Z1172235744 [2,0,0,0,0,0|2,0,0]=4 428 B6R1.2 O=S1CCCC1 Z278052312 [2,0,0,0,0,0|2,0,0]=4 429 B6R1.2 SC1=NCCN1 Z104497392 [2,0,0,0,0,0|1,1,0]=4 430 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,1,1,0,0,0|0,0,2]=4 431 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,1,1,0,0,0|1,0,0]=3 432 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,1,1,0,0,0|1,0,1]=4 433 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,1,1,0,0,0|1,0,1]=4 434 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,1,1,0,0,0|0,0,2]=4 435 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,1,1,0,0,0|2,0,0]=4 436 B8R0.6 CCCCCC(=O)NO Z59181978 [0,1,1,0,0,0|1,0,1]=4 437 B8R0.6 CCCCOC(=O)OC Z1238573230 [0,1,1,0,0,0|2,0,0]=4 438 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,1,1,0,0,0|0,0,2]=4 439 B8R0.6 COC(=O)CCCCN Z854942764 [0,1,1,0,0,0|0,0,2]=4 440 B8R0.6 COC(=O)NCCCN Z3772660622 [0,1,1,0,0,0|1,0,1]=4 441 B8R0.7 CCCCCCC(=O)O Z104474412 [0,1,1,0,0,0|1,0,1]=4 442 B8R0.7 CCCCOCC(=O)O Z409190912 [0,1,1,0,0,0|1,0,1]=4 443 B8R0.7 CCCCSCC(=O)O Z239951532 [0,1,1,0,0,0|1,0,1]=4 444 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,1,1,0,0,0|0,0,2]=4 445 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,1,1,0,0,0|1,0,1]=4 446 B8R0.7 CCOCCCC(=O)O Z316258950 [0,1,1,0,0,0|1,0,1]=4 447 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,1,1,0,0,0|0,0,2]=4 448 B8R0.7 COCCCCC(=O)O Z362633826 [0,1,1,0,0,0|1,0,1]=4 449 B8R0.7 COCCNCC(=O)O Z1276446903 [0,1,1,0,0,0|0,0,2]=4 450 B8R0.7 COCCOCC(=O)O Z104477918 [0,1,1,0,0,0|1,0,1]=4 451 B8R0.7 COCCSCC(=O)O Z167837764 [0,1,1,0,0,0|1,0,1]=4 452 B8R0.7 CSCCCCC(=O)O Z732206636 [0,1,1,0,0,0|1,0,1]=4 453 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,1,1,0,0,0|0,0,2]=4 454 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,1,1,0,0,0|0,0,2]=4 455 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,1,1,0,0,0|0,0,2]=4 456 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,1,1,0,0,0|0,0,2]=4 457 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,1,1,0,0,0|1,0,1]=4 458 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,1,1,0,0,0|1,0,1]=4 459 B8R0.7 O=C(O)CCNCCO Z53116574 [0,1,1,0,0,0|1,0,1]=4 460 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,1,1,0,0,0|1,0,1]=4 461 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,1,1,0,0,0|1,0,1]=4 462 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,1,1,0,0,0|1,0,1]=4 463 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,1,1,0,0,0|1,0,1]=4 464 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,1,1,0,0,0|1,0,1]=4 465 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,1,1,0,0,0|0,0,2]=4 466 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,1,1,0,0,0|0,0,2]=4 467 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,1,1,0,0,0|0,0,2]=4 468 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,1,1,0,0,0|0,0,2]=4 469 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,1,1,0,0,0|1,0,1]=4 470 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,1,1,0,0,0|0,0,2]=4 471 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,1,1,0,0,0|1,0,1]=4 472 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,1,1,0,0,0|0,0,2]=4 473 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,1,1,0,0,0|1,0,1]=4 474 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,1,1,0,0,0|0,0,2]=4 475 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,1,1,0,0,0|1,0,1]=4 476 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,1,1,0,0,0|0,0,2]=4 477 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,1,1,0,0,0|1,0,1]=4 478 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,1,1,0,0,0|1,0,0]=3 479 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,1,0,0,0|1,0,0]=3 480 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,1,0,0,0|1,0,1]=4 481 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,1,0,0,0|0,0,2]=4 482 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,1,0,0,0|0,0,2]=4 483 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,1,0,0,0|0,0,2]=4 484 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,1,0,0,0|1,0,1]=4 485 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,1,0,0,0|0,0,2]=4 486 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,1,0,0,0|0,0,2]=4 487 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,1,1,0,0,0|0,0,2]=4 488 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,1,1,0,0,0|0,0,2]=4 489 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,1,1,0,0,0|0,0,2]=4 490 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,1,1,0,0,0|1,0,1]=4 491 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,1,1,0,0,0|0,0,2]=4 492 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,1,1,0,0,0|1,0,1]=4 493 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,1,1,0,0,0|0,0,2]=4 494 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,1,1,0,0,0|1,0,1]=4 495 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,1,1,0,0,0|0,0,2]=4 496 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,1,1,0,0,0|0,0,2]=4 497 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,1,1,0,0,0|1,0,1]=4 498 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,1,1,0,0,0|1,0,0]=3 499 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,1,0,0,0|1,0,1]=4 500 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,1,0,0,0|0,0,2]=4 501 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,1,0,0,0|0,0,2]=4 502 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,1,0,0,0|0,0,2]=4 503 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,1,1,0,0,0|0,0,2]=4 504 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,1,1,0,0,0|1,0,1]=4 505 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,1,0,0,0|1,0,1]=4 506 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,1,1,0,0,0|0,0,2]=4 507 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,1,1,0,0,0|1,0,1]=4 508 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,1,1,0,0,0|0,0,2]=4 509 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,1,1,0,0,0|0,0,2]=4 510 B8R1.1 CC1CC(=NO1)C=O Z2732442537 [1,1,0,0,0,0|1,0,0]=3 511 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,1,0,0,0,0|1,0,1]=4 512 B8R1.8 O=CCC1CCCC1 Z993017732 [1,1,0,0,0,0|1,0,1]=4 513 B8R1.8 O=CCC1CCCO1 Z1183458964 [1,1,0,0,0,0|1,0,1]=4 514 B8R1.11 CC1CCCC1C=O Z1268606470 [1,1,0,0,0,0|1,0,1]=4 515 B8R1.52 CC1(CCCC1)C=O Z1255466724 [1,1,0,0,0,0|1,0,1]=4 516 B8R1.52 CC1(CCCO1)C=O Z1389061333 [1,1,0,0,0,0|1,0,1]=4 517 B8R1.52 CC1(CCCS1)C=O Z1455206494 [1,1,0,0,0,0|1,0,1]=4 518 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [1,1,0,0,0,0|1,0,1]=4 519 B8R1.23 CC(=O)N1CC(C1)N Z1154674340 [0,1,0,0,1,0|2,0,0]=4 520 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,0,1,0|0,0,1]=3 521 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,1,0,0,1,0|1,0,1]=4 522 B8R1.23 NC(=O)N1CC(C1)N Z3297611731 [0,1,0,0,1,0|2,0,0]=4 523 B8R1.23 NC(=O)N1CC(C1)O Z1090111906 [0,1,0,0,1,0|2,0,0]=4 524 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,1,0,0,1,0|0,0,1]=3 525 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,1,0,0,1,0|0,0,2]=4 526 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,1,0,0,1,0|0,0,2]=4 527 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,0,1,0|0,0,1]=3 528 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,1,0,0,1,0|0,0,1]=3 529 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,1,0,0,1,0|0,0,1]=3 530 B8R1.38 C=CC(=O)N1CCC1 Z440634168 [0,1,0,0,1,0|2,0,0]=4 531 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,1,0,0,1,0|1,0,1]=4 532 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,0,1,0|0,0,1]=3 533 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,1,0,0,1,0|1,0,1]=4 534 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [0,1,0,0,1,0|1,0,1]=4 535 B8R1.38 O=C(CCl)N1CCC1 Z57039583 [0,1,0,0,1,0|2,0,0]=4 536 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,0,1,0|0,0,1]=3 537 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,0,1,0|1,0,1]=4 538 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,0,1,0|1,0,1]=4 539 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,0,1,0|1,0,1]=4 540 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,0,1,0|0,0,1]=3 541 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,0,1,0|1,0,1]=4 542 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,0,1,0|0,0,1]=3 543 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,0,1,0|0,0,1]=3 544 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,1,0,0,1,0|1,0,1]=4 545 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,1,0,0,0,1|1,0,1]=4 546 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,1,0,0,0,1|0,0,2]=4 547 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,1,0,0,0,1|0,0,2]=4 548 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,1,0,0,0,1|1,0,1]=4 549 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,1,0,0,0,1|0,0,2]=4 550 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,1,0,0,0,1|0,0,2]=4 551 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,1,0,0,0,1|0,0,2]=4 552 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,1,0,0,0,1|0,0,2]=4 553 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,1,0,0,0,1|1,0,1]=4 554 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,1,0,0,0,1|0,0,2]=4 555 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,1,0,0,0,1|1,0,1]=4 556 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,1,0,0,0,1|0,0,2]=4 557 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,1,0,0,0,1|0,0,2]=4 558 B10R1.13 O=C1CCC(=NN1)C(=O)O Z56871458 [0,1,0,0,0,1|0,0,1]=3 559 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,1,0,0,0,1|1,0,1]=4 560 B10R1.15 COC(=O)C1CCCCS1 Z1413799531 [0,1,0,0,0,1|1,0,1]=4 561 B10R1.15 COC(=O)C1CCSCC1 Z1190142949 [0,1,0,0,0,1|1,0,1]=4 562 B10R1.15 COC(=O)C1CCSCN1 Z4924246834 [0,1,0,0,0,1|0,0,2]=4 563 B10R1.15 COC(=O)C1CNCCO1 Z1359429564 [0,1,0,0,0,1|1,0,1]=4 564 B10R1.15 COC(=O)C1COCCN1 Z1318356904 [0,1,0,0,0,1|0,0,2]=4 565 B10R1.15 COC(=O)C1SCCCS1 Z1255444891 [0,1,0,0,0,1|1,0,1]=4 566 B10R1.15 O=C(CO)N1CCOCC1 Z431952730 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.15 OC/C(=C\1/CCCNC1)/F Z1898593028 [0,1,0,0,0,1|1,0,1]=4 568 B10R1.28 O=P(O)(O)C1=CCNCC1 Z2503737603 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.61 CC1=C(CCCO1)C(=O)O Z1205494283 [0,1,0,0,0,1|1,0,0]=3 570 B10R1.61 CC1=C(SCCO1)C(=O)O Z992759280 [0,1,0,0,0,1|1,0,1]=4 571 B10R1.61 CC1CNCCC1C(=O)O Z1795818158 [0,1,0,0,0,1|1,0,1]=4 572 B10R1.61 CC1COCCC1C(=O)O Z1205496403 [0,1,0,0,0,1|1,0,1]=4 573 B10R1.61 CC1NCCCC1C(=O)O Z1255463358 [0,1,0,0,0,1|0,0,2]=4 574 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [0,1,0,0,0,1|0,0,2]=4 575 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [0,1,0,0,0,1|0,0,2]=4 576 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [0,1,0,0,0,1|0,0,2]=4 577 B10R1.61 CN1CCNCC1C(=O)O Z2679906813 [0,1,0,0,0,1|0,0,2]=4 578 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Z2309898847 [0,1,0,0,0,1|0,0,2]=4 579 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Z3247787190 [0,1,0,0,0,1|0,0,2]=4 580 B10R1.61 C[C@@H]1NCCN[C@@H]1C(=O)O Z4444621005 [0,1,0,0,0,1|0,0,2]=4 581 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O Z1913661250 [0,1,0,0,0,1|0,0,2]=4 582 B10R1.61 NC1=C(CCCN1)C(=O)O Z2467523232 [0,1,0,0,0,1|0,0,1]=3 583 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,1,0,0,0,1|1,0,1]=4 584 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,1,0,0,0,1|1,0,1]=4 585 B10R1.61 O=C(O)C1=C(CCCC1)Cl Z198749560 [0,1,0,0,0,1|1,0,0]=3 586 B10R1.61 O=C(O)C1=C(CNCC1)F Z3675523883 [0,1,0,0,0,1|1,0,0]=3 587 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,1,0,0,0,1|1,0,1]=4 588 B10R1.61 O=C(O)C1CCNCC1F Z3243524018 [0,1,0,0,0,1|1,0,1]=4 589 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,1,0,0,0,1|1,0,1]=4 590 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,0,0,0,1|1,0,1]=4 591 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,0,0,0,1|1,0,1]=4 592 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,0,0,1|1,0,1]=4 593 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,1,0,0,0,1|1,0,1]=4 594 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,0,0,0,1|0,0,2]=4 595 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,0,0,0,1|0,0,2]=4 596 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,1,0,0,0,1|0,0,2]=4 597 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,1,0,0,0,1|1,0,1]=4 598 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,0,0,1|0,0,2]=4 599 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,0,0,0,1|0,0,2]=4 600 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,1,0,0,0,1|1,0,1]=4 601 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,0,0,1|1,0,1]=4 602 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,0,0,1|1,0,1]=4 603 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,1,0,0,0,1|1,0,1]=4 604 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,1,0,0,0,1|1,0,1]=4 605 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,1,0,0,0,1|0,0,2]=4 606 B10R1.363 CC1(C=CCCC1)C(=O)O Z1205494611 [0,1,0,0,0,1|1,0,1]=4 607 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,1,0,0,0,1|1,0,1]=4 608 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [0,1,0,0,0,1|0,0,2]=4 609 B10R1.363 CC1(CCCCO1)C(=O)O Z1198235237 [0,1,0,0,0,1|1,0,1]=4 610 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [0,1,0,0,0,1|0,0,2]=4 611 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [0,1,0,0,0,1|1,0,1]=4 612 B10R1.363 CC1(CCNCC1)C(=O)O Z1642389877 [0,1,0,0,0,1|1,0,1]=4 613 B10R1.363 CC1(CCOCC1)C(=O)O Z992920340 [0,1,0,0,0,1|1,0,1]=4 614 B10R1.363 CC1(CCSCC1)C(=O)O Z1255441874 [0,1,0,0,0,1|1,0,1]=4 615 B10R1.363 CC1(CNCCN1)C(=O)O Z5392656375 [0,1,0,0,0,1|0,0,2]=4 616 B10R1.363 CC1(SCCCS1)C(=O)O Z1262514536 [0,1,0,0,0,1|1,0,1]=4 617 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [0,1,0,0,0,1|0,0,2]=4 618 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [0,1,0,0,0,1|1,0,1]=4 619 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,1,0,0,0,1|1,0,1]=4 620 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [0,1,0,0,0,1|1,0,1]=4 621 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [0,1,0,0,0,1|1,0,1]=4 622 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,1,0,0,0,1|1,0,1]=4 623 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,1,0,0,0,1|1,0,1]=4 624 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,1,0,0,0,1|0,0,2]=4 625 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [0,1,0,0,0,1|1,0,1]=4 626 B10R1.363 O=C(O)C1(CCNCC1)F Z3234885472 [0,1,0,0,0,1|1,0,1]=4 627 B10R1.363 O=C(O)C1(CCOCC1)F Z1255373743 [0,1,0,0,0,1|1,0,1]=4 628 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [0,1,0,0,0,1|1,0,1]=4 629 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [0,1,0,0,0,1|1,0,1]=4 630 B10R1.23 CC(=C1CCCC1)C(=O)O Z1205494373 [0,1,0,0,0,1|1,0,0]=3 631 B10R1.23 CC(C(=O)O)C1=CCCC1 Z1205494118 [0,1,0,0,0,1|1,0,0]=3 632 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [0,1,0,0,0,1|1,0,1]=4 633 B10R1.23 CC(C(=O)O)N1CCCC1 Z1459956121 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,1,0,0,0,1|1,0,1]=4 635 B10R1.23 O=C(O)C(=C1CCCC1)F Z1205656057 [0,1,0,0,0,1|1,0,0]=3 636 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [0,1,0,0,0,1|1,0,1]=4 637 B10R1.27 CCC(=O)NC1=NCCS1 Z30009120 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.27 COC(=O)/C=C\1/CCCN1 Z2186882659 [0,1,0,0,0,1|0,0,1]=3 639 B10R1.27 COC(=O)/C=C\1/CCOC1 Z1268419389 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.27 COC(=O)CC1CCCN1 Z1945708482 [0,1,0,0,0,1|0,0,2]=4 641 B10R1.27 COC(=O)CN1CCCC1 Z57725199 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.27 O=C(CO)NC1CCCC1 Z431952118 [0,1,0,0,0,1|1,0,1]=4 643 B10R1.54 CC(=O)NC1=NCC(S1)C Z57070132 [0,1,0,0,0,1|2,0,0]=4 644 B10R1.54 CC1CC/C(=C\C(=O)O)/C1 Z1868431092 [0,1,0,0,0,1|1,0,0]=3 645 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,1,0,0,0,1|1,0,1]=4 646 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,1,0,0,0,1|1,0,1]=4 647 B10R1.54 CC1CCN(C1)CC(=O)O Z1459983829 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.54 CN1CC/C(=C\C(=O)O)/C1 Z2469998616 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,1,0,0,0,1|1,0,1]=4 650 B10R1.54 O=C(O)CC1=NNC(=O)C1 Z381006232 [0,1,0,0,0,1|1,0,1]=4 651 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,1,0,0,0,1|1,0,1]=4 652 B10R1.64 CC\1CCC/C1=C\C(=O)O Z1205498287 [0,1,0,0,0,1|1,0,0]=3 653 B10R1.64 O=C(O)CN1CCCC1=O Z57980672 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [0,1,0,0,0,1|1,0,1]=4 655 B10R1.370 CC1(CCCC1)CC(=O)O Z1205494632 [0,1,0,0,0,1|1,0,1]=4 656 B10R1.370 NC1(CCCC1)CC(=O)O Z2301438513 [0,1,0,0,0,1|1,0,1]=4 657 B10R1.370 O=C(O)CC1(CCCC1)O Z982131876 [0,1,0,0,0,1|1,0,1]=4 658 B10R1.11 CCOC(=O)C1CCCC1 Z53835896 [0,2,0,0,0,0|1,0,1]=4 659 B10R1.11 CCOC(=O)C1CCCN1 Z361885340 [0,2,0,0,0,0|0,0,2]=4 660 B10R1.11 CCOC(=O)[C@H]1CCCN1 Z2327570058 [0,2,0,0,0,0|0,0,2]=4 661 B10R1.14 COC(=O)N1CCC(C1)N Z1262398482 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N Z2309862002 [0,2,0,0,0,0|1,0,1]=4 663 B10R1.14 COC(=O)[C@@H]1C[C@@H](CS1)N Z3476139903 [0,2,0,0,0,0|1,0,1]=4 664 B10R1.149 COC(=O)C1CCCN1C Z905213162 [0,2,0,0,0,0|0,0,2]=4 665 B10R1.149 COC(=O)[C@@H]1CCC[C@H]1N Z2327884296 [0,2,0,0,0,0|1,0,1]=4 666 B10R1.411 COC(=O)C1(CCCC1)N Z235354625 [0,2,0,0,0,0|1,0,1]=4 667 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [0,2,0,0,0,0|0,0,2]=4 668 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,2,0,0,0,0|0,0,2]=4 669 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,2,0,0,0,0|1,0,1]=4 670 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [0,2,0,0,0,0|0,0,2]=4 671 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,2,0,0,0,0|1,0,1]=4 672 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [0,2,0,0,0,0|0,0,2]=4 673 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [0,2,0,0,0,0|0,0,2]=4 674 B10R1.31 NCC1CC(=NO1)C(=O)N Z1770193385 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,2,0,0,0,0|1,0,1]=4 676 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,2,0,0,0,0|1,0,1]=4 677 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,2,0,0,0,0|1,0,1]=4 678 B10R1.58 O=C(O)C1C[C@@H]([C@H](C1)Br)Br Z540724856 [0,2,0,0,0,0|1,0,1]=4 679 B10R1.58 O=C(O)[C@@H]1C[C@@H]([C@@H](C1)O)O Z2704517658 [0,2,0,0,0,0|1,0,1]=4 680 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,2,0,0,0,0|1,0,1]=4 681 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O Z3247574257 [0,2,0,0,0,0|0,0,2]=4 682 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,2,0,0,0,0|1,0,1]=4 683 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O Z4081403377 [0,2,0,0,0,0|0,0,2]=4 684 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,2,0,0,0,0|1,0,1]=4 685 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,2,0,0,0,0|0,0,2]=4 686 B10R1.359 CC1(CNC(C1)C(=O)O)C Z3247793866 [0,2,0,0,0,0|0,0,2]=4 687 B10R1.359 O=C(O)C1CC(CN1)(F)F Z1815156403 [0,2,0,0,0,0|0,0,2]=4 688 B10R1.359 O=C(O)C1CCC(C1)(F)F Z1255366935 [0,2,0,0,0,0|1,0,1]=4 689 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,2,0,0,0,0|1,0,1]=4 690 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,2,0,0,0,0|1,0,1]=4 691 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,2,0,0,0,0|1,0,1]=4 692 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [0,2,0,0,0,0|1,0,1]=4 693 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [0,2,0,0,0,0|0,0,2]=4 694 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [0,2,0,0,0,0|1,0,1]=4 695 B10R1.39 N#CC1=C(CCC1)C(=O)O Z1205495248 [0,2,0,0,0,0|1,0,0]=3 696 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [0,2,0,0,0,0|1,0,1]=4 697 B10R1.39 O=NN1CCC[C@H]1C(=O)O Z1198157871 [0,2,0,0,0,0|0,0,2]=4 698 B10R1.128 CC1(CCC=C1C(=O)O)C Z1205498101 [0,2,0,0,0,0|1,0,0]=3 699 B10R1.128 CC1(CCCC1C(=O)O)C Z1205494169 [0,2,0,0,0,0|1,0,1]=4 700 B10R1.128 CC1(CCNC1C(=O)O)C Z2301438439 [0,2,0,0,0,0|0,0,2]=4 701 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N Z2306832357 [0,2,0,0,0,0|1,0,1]=4 702 B10R1.128 O=C(O)C1CCCC1(F)F Z1222424705 [0,2,0,0,0,0|1,0,1]=4 703 B10R1.128 O=C(O)C1CCCS1(=O)=O Z1259179102 [0,2,0,0,0,0|1,0,1]=4 704 B10R1.291 CC1CCCC1(C)C(=O)O Z1205495850 [0,2,0,0,0,0|1,0,1]=4 705 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [0,2,0,0,0,0|1,0,1]=4 706 B10R1.477 CCC1(CCCC1)C(=O)O Z995181136 [0,2,0,0,0,0|1,0,1]=4 707 B10R1.477 CCC1(CCCN1)C(=O)O Z1552026999 [0,2,0,0,0,0|0,0,2]=4 708 B10R1.477 CNC1(CCCC1)C(=O)O Z446011232 [0,2,0,0,0,0|1,0,1]=4 709 B10R1.477 COC1(CCCC1)C(=O)O Z803492216 [0,2,0,0,0,0|1,0,1]=4 710 B10R1.477 N#CC1(CCCC1)C(=O)O Z104346706 [0,2,0,0,0,0|1,0,1]=4 711 B10R1.477 NCC1(CCCC1)C(=O)O Z1495988402 [0,2,0,0,0,0|1,0,1]=4 712 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,0,1,1,0,0|1,0,0]=3 713 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,0,1,1,0,0|1,0,0]=3 714 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,1,1,0,0|1,0,1]=4 715 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,0,1,1,0,0|0,0,2]=4 716 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [0,0,1,1,0,0|1,0,1]=4 717 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,0,1,1,0,0|0,0,2]=4 718 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,1,1,0,0|1,0,1]=4 719 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,0,1,1,0,0|0,0,2]=4 720 B8R1.5 O=C1CCCCC1=O Z90122041 [0,0,1,1,0,0|2,0,0]=4 721 B8R1.18 CC1=NN(C=C1O)C Z4131782830 [0,0,1,1,0,0|2,0,0]=4 722 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,0,1,1,0,0|0,0,2]=4 723 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,0,1,1,0,0|0,0,2]=4 724 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,0,1,1,0,0|1,0,1]=4 725 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,0,1,1,0,0|0,0,2]=4 726 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,0,1,1,0,0|1,0,1]=4 727 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,0,1,1,0,0|0,0,2]=4 728 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,0,1,1,0,0|1,0,1]=4 729 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,0,1,1,0,0|1,0,1]=4 730 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,1,1,0|1,0,1]=4 731 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [0,0,0,1,0,1|0,0,2]=4 732 B10R2.344 O=C(O)C12CNCC1C2 Z600584248 [0,0,0,1,0,1|0,0,2]=4 733 B10R2.344 O=C(O)[C@@]12CNC[C@@H]1C2 Z2568674577 [0,0,0,1,0,1|0,0,2]=4 734 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Z2432382009 [0,0,0,1,0,1|1,0,1]=4 735 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Z414834462 [0,0,0,1,0,1|0,0,2]=4 736 B10R2.351 O=C(O)C1C2C1CCC2 Z235263813 [0,0,0,1,0,1|1,0,1]=4 737 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1CNC2 Z414834466 [0,0,0,1,0,1|1,0,1]=4 738 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,1,0,1|0,0,2]=4 739 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,1,0,1|0,0,2]=4 740 B10R2.32 NC1=C2CCCC2=NO1 Z431947172 [0,1,0,1,0,0|2,0,0]=4 741 B10R2.32 O=C1OC[C@H]2[C@@H]1CCC2 Z2786565576 [0,1,0,1,0,0|1,0,1]=4 742 B10R2.32 O=C1OC[C@H]2[C@@H]1NCC2 Z4078237372 [0,1,0,1,0,0|0,0,2]=4 743 B10R2.308 O=C(O)[C@@]12C[C@H]([C@@H]1C2)O Z3380556323 [0,1,0,1,0,0|1,0,1]=4 744 B10R2.348 O=C(O)C12CC(C1)CN2 Z199536584 [0,1,0,1,0,0|0,0,2]=4 745 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,0,1,0|0,0,1]=3 746 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,0,1,0,0,1|1,0,0]=3 747 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,0,1,0,0,1|1,0,1]=4 748 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,0,1,0,0,1|2,0,0]=4 749 B8R1.2 BrC=C1CCNCC1 Z4355559318 [1,0,0,0,0,1|2,0,0]=4 750 B8R1.2 CNC1=NCCCC1 Z1744713171 [1,0,0,0,0,1|2,0,0]=4 751 B8R1.2 COC1=NCCCC1 Z729471270 [1,0,0,0,0,1|2,0,0]=4 752 B8R1.2 CSC1=NCCCN1 Z104341704 [1,0,0,0,0,1|2,0,0]=4 753 B8R1.2 NCC1=NCCCN1 Z994488026 [1,0,0,0,0,1|1,0,1]=4 754 B8R1.2 O=CC1=CCCCC1 Z1190318865 [1,0,0,0,0,1|1,0,0]=3 755 B8R1.2 O=CC1=CCCOC1 Z979787886 [1,0,0,0,0,1|1,0,0]=3 756 B8R1.2 O=CC1=CCCSC1 Z1255380334 [1,0,0,0,0,1|1,0,0]=3 757 B8R1.2 O=CC1=CCOCC1 Z1511760351 [1,0,0,0,0,1|1,0,0]=3 758 B8R1.2 O=CC1=COCCC1 Z432415080 [1,0,0,0,0,1|1,0,0]=3 759 B8R1.2 O=CC1=COCCO1 Z1198154290 [1,0,0,0,0,1|1,0,1]=4 760 B8R1.2 O=CC1CCCCC1 Z104478974 [1,0,0,0,0,1|1,0,1]=4 761 B8R1.2 O=CC1CCCCO1 Z1079442734 [1,0,0,0,0,1|1,0,1]=4 762 B8R1.2 O=CC1CCCOC1 Z1065877672 [1,0,0,0,0,1|1,0,1]=4 763 B8R1.2 O=CC1CCCSC1 Z1255489365 [1,0,0,0,0,1|1,0,1]=4 764 B8R1.2 O=CC1CCOCC1 Z979759508 [1,0,0,0,0,1|1,0,1]=4 765 B8R1.2 O=CC1CCSCC1 Z1201622265 [1,0,0,0,0,1|1,0,1]=4 766 B8R1.2 O=CN1CCCCC1 Z1255415437 [1,0,0,0,0,1|2,0,0]=4 767 B8R1.2 O=CN1CCNCC1 Z104479110 [1,0,0,0,0,1|2,0,0]=4 768 B8R1.2 O=CN1CCOCC1 Z295197308 [1,0,0,0,0,1|2,0,0]=4 769 B8R1.2 OCC1=CCNCC1 Z2310702179 [1,0,0,0,0,1|1,0,1]=4 770 B8R1.2 ON=C1CCCCC1 Z49568468 [1,0,0,0,0,1|2,0,0]=4 771 B10R1.18 CC(=O)OC1=CCCCC1 Z426041318 [0,0,0,0,0,2|2,0,0]=4 772 B10R1.18 O=C(O)C=C1CCCCC1 Z352748084 [0,0,0,0,0,2|1,0,0]=3 773 B10R1.18 O=C(O)C=C1CCOCC1 Z440605394 [0,0,0,0,0,2|1,0,0]=3 774 B10R1.18 O=C(O)C=C1CCSCC1 Z1262528560 [0,0,0,0,0,2|1,0,0]=3 775 B10R1.18 O=C(O)CC1=CCCCC1 Z1138835936 [0,0,0,0,0,2|1,0,0]=3 776 B10R1.18 O=C(O)CC1=CCOCC1 Z1205495477 [0,0,0,0,0,2|1,0,0]=3 777 B10R1.18 O=C(O)CC1C=CCCC1 Z1198264430 [0,0,0,0,0,2|1,0,1]=4 778 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,0,0,0,0,2|1,0,1]=4 779 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,0,0,0,0,2|0,0,2]=4 780 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,0,0,0,0,2|1,0,1]=4 781 B10R1.18 O=C(O)CC1CCCNC1 Z1272743958 [0,0,0,0,0,2|0,0,2]=4 782 B10R1.18 O=C(O)CC1CCCOC1 Z445215100 [0,0,0,0,0,2|1,0,1]=4 783 B10R1.18 O=C(O)CC1CCOCC1 Z440605396 [0,0,0,0,0,2|1,0,1]=4 784 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [0,0,0,0,0,2|1,0,1]=4 785 B10R1.18 O=C(O)CC1CNCCO1 Z3241262582 [0,0,0,0,0,2|1,0,1]=4 786 B10R1.18 O=C(O)CC1COCCN1 Z1741981133 [0,0,0,0,0,2|0,0,2]=4 787 B10R1.18 O=C(O)CC1CSCCS1 Z1492186731 [0,0,0,0,0,2|1,0,1]=4 788 B10R1.18 O=C(O)CC1OCCCO1 Z1205495524 [0,0,0,0,0,2|1,0,1]=4 789 B10R1.18 O=C(O)CN1CCCCC1 Z1171978832 [0,0,0,0,0,2|2,0,0]=4 790 B10R1.18 O=C(O)CN1CCNCC1 Z2887863329 [0,0,0,0,0,2|2,0,0]=4 791 B10R1.18 O=C(O)CN1CCOCC1 Z1270246390 [0,0,0,0,0,2|2,0,0]=4 792 B10R1.348 O=C(O)C1CCC=CCC1 Z447899262 [0,0,0,0,0,2|1,0,1]=4 793 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,0,0,0,0,2|0,0,2]=4 794 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,0,0,0,0,2|0,0,2]=4 795 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,0,0,0,0,2|1,0,1]=4 796 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,0,0,0,0,2|0,0,2]=4 797 B10R1.66 O=C(O)/C=C/C1=CCCC1 Z1198161448 [0,0,0,0,0,2|1,0,0]=3 798 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [0,0,0,0,0,2|1,0,1]=4 799 B10R1.66 O=C(O)CCC1CCCN1 Z2467454523 [0,0,0,0,0,2|0,0,2]=4 800 B10R1.66 O=C(O)CCC1CCCO1 Z362564576 [0,0,0,0,0,2|1,0,1]=4 801 B10R1.66 O=C(O)CNC1CCCC1 Z359505658 [0,0,0,0,0,2|1,0,1]=4 802 B10R1.66 O=C(O)COC1CCCC1 Z316258762 [0,0,0,0,0,2|1,0,1]=4 803 B10R1.66 O=C(O)CSC1CCCC1 Z147646804 [0,0,0,0,0,2|1,0,1]=4