0 B6R1.2 BrC1=CCCC1 CS-0205606 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 BrC1=CN=CO1 CS-0267864 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 BrC1CCNC1 CS-0256433 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 BrC1CCSC1 CS-0242008 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 CC1=NCCN1 CS-0282476 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 CC1=NCCS1 CS-W013704 [0,0,0,0,0,0|2,1,0]=3 6 B6R1.2 CC1CCCN1 CS-0051829 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 CC1CCCS1 CS-0207040 [0,0,0,0,0,0|1,1,1]=3 8 B6R1.2 C[S+]1CCCC1 CS-0503729 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 ClC1=CCCC1 CS-0204701 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 Cl[C@@H]1CCNC1 CS-0445255 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 IC1=COCC1 CS-0504678 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 IC1CCNC1 CS-0058319 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 IC1ccCC1 CS-0873862 [0,0,0,0,0,0|2,0,2]=4 14 B6R1.2 N=C1NCCO1 CS-0265648 [0,0,0,0,0,0|2,0,0]=2 15 B6R1.2 N=C1NCCS1 CS-W016484 [0,0,0,0,0,0|2,1,0]=3 16 B6R1.2 NC1=NCCO1 CS-0186913 [0,0,0,0,0,0|2,0,0]=2 17 B6R1.2 NC1CCSC1 CS-0184405 [0,0,0,0,0,0|3,0,1]=4 18 B6R1.2 N[C@H]1CCOC1 CS-0053253 [0,0,0,0,0,0|3,0,1]=4 19 B6R1.2 O=C1C=CCN1 CS-0135756 [0,0,0,0,0,0|1,0,2]=3 20 B6R1.2 O=C1CCON1 CS-W019350 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 O=C1N=CN=N1 CS-0548259 [0,0,0,0,0,0|3,0,1]=4 22 B6R1.2 O=C1NCCN1 CS-0368270 [0,0,0,0,0,0|2,0,0]=2 23 B6R1.2 OC1=CC=CO1 CS-0682984 [0,0,0,0,0,0|0,0,4]=4 24 B6R1.2 OC1=NCNC1 CS-W006727 [0,0,0,0,0,0|2,0,1]=3 25 B6R1.2 OC1=NN=CO1 CS-0453163 [0,0,0,0,0,0|2,0,2]=4 26 B6R1.2 OC1CCCO1 CS-0197674 [0,0,0,0,0,0|0,0,2]=2 27 B6R1.2 [C@H]1(C)CCCN1 CS-W005764 [0,0,0,0,0,0|2,0,1]=3 28 B6R1.2 [C@H]1(N)CCNC1 CS-W017772 [0,0,0,0,0,0|3,0,1]=4 29 B5R1.1 C1CCCC1 CS-0069724 [1,0,0,0,0,0|1,0,1]=3 30 B5R1.1 C1CCNC1 CS-0468677 [1,0,0,0,0,0|1,0,1]=3 31 B5R1.1 C1CCOC1 CS-0085484 [1,0,0,0,0,0|0,0,1]=2 32 B5R1.1 C1COCN1 CS-0214988 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.1 BrCC1CCCO1 CS-0052243 [0,1,0,0,0,0|1,0,1]=3 34 B7R1.1 C#CC1CCCN1 CS-0051909 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.1 C#C[C@@H]1CCCO1 CS-0777989 [0,1,0,0,0,0|1,0,1]=3 36 B7R1.1 CCC1=NCCN1 CS-0206605 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.1 CCC1=NCCO1 CS-W009554 [0,1,0,0,0,0|2,0,0]=3 38 B7R1.1 CNC1=NCCS1 CS-0250614 [0,1,0,0,0,0|2,1,0]=4 39 B7R1.1 CNC1CCCC1 CS-0142496 [0,1,0,0,0,0|2,0,1]=4 40 B7R1.1 CSC1=NCCN1 CS-0150090 [0,1,0,0,0,0|2,1,0]=4 41 B7R1.1 CSC1=NCCS1 CS-W013388 [0,1,0,0,0,0|1,2,0]=4 42 B7R1.1 ClC[C@@H]1CCCN1 CS-0215002 [0,1,0,0,0,0|2,0,1]=4 43 B7R1.1 FC[C@H]1CCCN1 CS-0053502 [0,1,0,0,0,0|2,0,1]=4 44 B7R1.1 ICC1CCCO1 CS-0225833 [0,1,0,0,0,0|1,0,1]=3 45 B7R1.1 N#CC1=CCCC1 CS-0089734 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 N#CC1CCCN1 CS-0048722 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.1 N#C[C@@H]1CCCN1 CS-0053430 [0,1,0,0,0,0|2,0,1]=4 48 B7R1.1 NCC1OCCO1 CS-D0489 [0,1,0,0,0,0|2,0,1]=4 49 B7R1.1 NC[C@H]1CCCN1 CS-W017562 [0,1,0,0,0,0|2,0,1]=4 50 B7R1.1 NC[C@H]1CCCO1 CS-0469844 [0,1,0,0,0,0|1,0,1]=3 51 B7R1.1 NNC1CCCC1 CS-W000556 [0,1,0,0,0,0|2,0,1]=4 52 B7R1.1 O=CC1=CCSC1 CS-0224038 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.1 OC[C@@H]1CCCN1 CS-0199747 [0,1,0,0,0,0|1,0,2]=4 54 B7R1.2 CC1=CC(=O)CO1 CS-0092875 [0,1,0,0,0,0|1,0,2]=4 55 B7R1.2 CC1=CC(=O)OC1 CS-0205200 [0,1,0,0,0,0|0,0,2]=3 56 B7R1.2 CC1=NC(=O)ON1 CS-0453264 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.2 CC1CC(=O)NN1 CS-0242958 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.2 CC1CCC(=O)N1 CS-0046659 [0,1,0,0,0,0|1,0,0]=2 59 B7R1.2 CC1CCC(C)N1 CS-0451338 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.2 CC1CCC(C)O1 CS-0204690 [0,1,0,0,0,0|1,0,1]=3 61 B7R1.2 CC1CCC(O)C1 CS-0107204 [0,1,0,0,0,0|1,0,2]=4 62 B7R1.2 CC1CNC(=O)N1 CS-0040666 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.2 CC1CNC(=O)O1 CS-0308136 [0,1,0,0,0,0|1,0,0]=2 64 B7R1.2 CC1CNC(=S)N1 CS-0090570 [0,1,0,0,0,0|2,1,0]=4 65 B7R1.2 CC1COS(=O)O1 CS-W013556 [0,1,0,0,0,0|2,0,0]=3 66 B7R1.2 CN1CCC(=O)C1 CS-0043579 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.2 CN1CCC(Br)C1 CS-W005830 [0,1,0,0,0,0|3,0,0]=4 68 B7R1.2 CN1CC[C@@H](N)C1 CS-0210749 [0,1,0,0,0,0|3,0,0]=4 69 B7R1.2 CN1CC[C@H](N)C1 CS-0172434 [0,1,0,0,0,0|3,0,0]=4 70 B7R1.2 C[C@@H]1CCC(=O)O1 CS-0063958 [0,1,0,0,0,0|0,0,0]=1 71 B7R1.2 C[C@H]1CC[C@@H](C)N1 CS-0053458 [0,1,0,0,0,0|2,0,1]=4 72 B7R1.2 NC1=NC(=O)CN1 CS-0188199 [0,1,0,0,0,0|2,0,1]=4 73 B7R1.2 NC1=NOC(=O)N1 CS-1014910 [0,1,0,0,0,0|2,0,1]=4 74 B7R1.2 NC1CNC(=O)C1 CS-0051034 [0,1,0,0,0,0|1,0,0]=2 75 B7R1.2 N[C@H]1CC[C@@H](N)C1 CS-0187342 [0,1,0,0,0,0|2,0,1]=4 76 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0020859 [0,1,0,0,0,0|1,0,2]=4 77 B7R1.2 O=C1C=C(Br)CO1 CS-0037435 [0,1,0,0,0,0|0,0,2]=3 78 B7R1.2 O=C1C=CC(=O)C1 CS-0204257 [0,1,0,0,0,0|1,0,2]=4 79 B7R1.2 O=C1C=CC(=O)O1 CS-0504295 [0,1,0,0,0,0|0,0,3]=4 80 B7R1.2 O=C1CC(=O)NN1 CS-0111719 [0,1,0,0,0,0|2,0,1]=4 81 B7R1.2 O=C1CC(O)=CO1 CS-0875094 [0,1,0,0,0,0|0,0,2]=3 82 B7R1.2 O=C1CC(O)CO1 CS-W013700 [0,1,0,0,0,0|0,0,0]=1 83 B7R1.2 O=C1CNC(=S)S1 CS-0365176 [0,1,0,0,0,0|1,1,1]=4 84 B7R1.2 O=C1NC(=S)CS1 CS-0088269 [0,1,0,0,0,0|1,1,1]=4 85 B7R1.2 O[C@H]1CC[C@@H](O)C1 CS-0049663 [0,1,0,0,0,0|1,0,2]=4 86 B7R1.4 BrC1CCCC1Br CS-0310140 [0,1,0,0,0,0|2,0,1]=4 87 B7R1.4 Br[C@@H]1CCC[C@H]1Br CS-0310307 [0,1,0,0,0,0|2,0,1]=4 88 B7R1.4 CC1=CCOC1=O CS-0204540 [0,1,0,0,0,0|0,0,2]=3 89 B7R1.4 CC1CCCC1N CS-0145127 [0,1,0,0,0,0|2,0,1]=4 90 B7R1.4 CC1CCCC1O CS-0464755 [0,1,0,0,0,0|1,0,2]=4 91 B7R1.4 CN1CCSC1=N CS-0239611 [0,1,0,0,0,0|2,1,0]=4 92 B7R1.4 CN1CCSC1=S CS-0449032 [0,1,0,0,0,0|1,2,0]=4 93 B7R1.4 C[C@H]1CCC[C@@H]1O CS-0036071 [0,1,0,0,0,0|1,0,2]=4 94 B7R1.4 NC1CCCC1O CS-W005452 [0,1,0,0,0,0|1,0,2]=4 95 B7R1.4 NC1CCNC1=O CS-0067776 [0,1,0,0,0,0|1,0,0]=2 96 B7R1.4 N[C@@H]1CCC[C@H]1F CS-0047825 [0,1,0,0,0,0|2,0,1]=4 97 B7R1.4 N[C@@H]1CCC[C@H]1N CS-0047743 [0,1,0,0,0,0|2,0,1]=4 98 B7R1.4 N[C@@H]1CCNC1=O CS-0109572 [0,1,0,0,0,0|1,0,0]=2 99 B7R1.4 N[C@H]1CCNC1=O CS-0054164 [0,1,0,0,0,0|1,0,0]=2 100 B7R1.4 O=C1CCC=C1Br CS-0030114 [0,1,0,0,0,0|1,0,1]=3 101 B7R1.4 O=C1CCC=C1I CS-0208620 [0,1,0,0,0,0|1,0,1]=3 102 B7R1.4 O=C1CCCC1=O CS-0072875 [0,1,0,0,0,0|1,0,0]=2 103 B7R1.4 O=C1O[Cu]OC1=O CS-0111029 [0,1,0,0,0,0|2,0,1]=4 104 B7R1.4 O=C1O[Mn]OC1=O CS-0648867 [0,1,0,0,0,0|2,0,1]=4 105 B7R1.4 OC1CCCC1Br CS-0527053 [0,1,0,0,0,0|1,0,2]=4 106 B7R1.4 O[C@@H]1CCC[C@H]1F CS-0101190 [0,1,0,0,0,0|1,0,2]=4 107 B7R1.4 O[C@H]1CCC[C@H]1Cl CS-0518472 [0,1,0,0,0,0|1,0,2]=4 108 B7R1.14 CC1(Br)CCCC1 CS-0309479 [0,1,0,0,0,0|2,0,1]=4 109 B7R1.14 N=S1(=O)CCCC1 CS-0047312 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.14 O=S1(=O)C=CCC1 CS-0169407 [0,1,0,0,0,0|2,0,1]=4 111 B5R0.1 C=C(C)CNC CS-0162572 [0,0,1,0,0,0|3,0,0]=4 112 B5R0.1 C=CNC(C)=O CS-0167831 [0,0,1,0,0,0|1,0,2]=4 113 B5R0.1 CC(=O)\C=N/O CS-W013750 [0,0,1,0,0,0|3,0,0]=4 114 B5R0.1 CC(=O)\C=N\O CS-0047592 [0,0,1,0,0,0|3,0,0]=4 115 B5R0.1 CC(O)CCN CS-0113030 [0,0,1,0,0,0|2,0,1]=4 116 B5R0.1 CC(O)CCN CS-0113103 [0,0,1,0,0,0|2,0,1]=4 117 B5R0.1 CCCC(=O)[O-] CS-0188375 [0,0,1,0,0,0|0,0,1]=2 118 B5R0.1 CCCC(C)N CS-0216448 [0,0,1,0,0,0|2,0,1]=4 119 B5R0.1 CCCS(=O)[O-] CS-0298073 [0,0,1,0,0,0|1,0,1]=3 120 B5R0.1 CCNC(=N)N CS-0298605 [0,0,1,0,0,0|3,0,0]=4 121 B5R0.1 CCOC(C)=S CS-0265613 [0,0,1,0,0,0|0,1,0]=2 122 B5R0.1 CCOC(C)Cl CS-0233243 [0,0,1,0,0,0|1,0,1]=3 123 B5R0.1 CCOC(N)=S CS-0265370 [0,0,1,0,0,0|1,1,0]=3 124 B5R0.1 CCSC(=N)N CS-0093925 [0,0,1,0,0,0|2,1,0]=4 125 B5R0.1 CC\N=C(\C)O CS-W011352 [0,0,1,0,0,0|1,0,1]=3 126 B5R0.1 CNCC(C)=O CS-0656412 [0,0,1,0,0,0|2,0,0]=3 127 B5R0.1 CNOC(C)=O CS-0449138 [0,0,1,0,0,0|1,0,0]=2 128 B5R0.1 COCC(N)=O CS-0186655 [0,0,1,0,0,0|2,0,0]=3 129 B5R0.1 CONC(C)=O CS-0235532 [0,0,1,0,0,0|2,0,0]=3 130 B5R0.1 CS(=O)CCN CS-0217217 [0,0,1,0,0,0|3,0,0]=4 131 B5R0.1 CSCC(C)=O CS-0206376 [0,0,1,0,0,0|2,0,0]=3 132 B5R0.1 C\C=C\C(N)=O CS-0336304 [0,0,1,0,0,0|1,0,2]=4 133 B5R0.1 NCCC(=O)[O-] CS-0771386 [0,0,1,0,0,0|1,0,1]=3 134 B5R0.1 NNCC(=O)O CS-0697279 [0,0,1,0,0,0|2,0,0]=3 135 B5R0.1 O=C(O)\C=C/Br CS-0696116 [0,0,1,0,0,0|1,0,2]=4 136 B5R0.1 O=C(O)\C=C\Cl CS-0204258 [0,0,1,0,0,0|1,0,2]=4 137 B5R0.2 C=C=CCCO CS-0246741 [0,0,1,0,0,0|1,0,2]=4 138 B5R0.2 C=CCCCN CS-0072974 [0,0,1,0,0,0|2,0,0]=3 139 B5R0.2 C=CCCON CS-0215003 [0,0,1,0,0,0|3,0,0]=4 140 B5R0.2 C=CCNC=O CS-0239380 [0,0,1,0,0,0|1,0,2]=4 141 B5R0.2 C=CCNCC CS-0251036 [0,0,1,0,0,0|3,0,0]=4 142 B5R0.2 CC#CCCO CS-0143647 [0,0,1,0,0,0|1,0,2]=4 143 B5R0.2 CCCC#CI CS-0334046 [0,0,1,0,0,0|2,0,1]=4 144 B5R0.2 CCCCCF CS-0716626 [0,0,1,0,0,0|2,0,1]=4 145 B5R0.2 CCCCCN CS-0214092 [0,0,1,0,0,0|2,0,1]=4 146 B5R0.2 CCCCNN CS-0667621 [0,0,1,0,0,0|3,0,0]=4 147 B5R0.2 CCCCO[Ti] CS-0111516 [0,0,1,0,0,0|3,0,0]=4 148 B5R0.2 CNOCCN CS-W021370 [0,0,1,0,0,0|3,0,0]=4 149 B5R0.2 COCCCI CS-0236599 [0,0,1,0,0,0|3,0,0]=4 150 B5R0.2 COCCCN CS-0162830 [0,0,1,0,0,0|3,0,0]=4 151 B5R0.2 CSCCCN CS-0204914 [0,0,1,0,0,0|3,0,0]=4 152 B5R0.2 CSCCCN CS-0516616 [0,0,1,0,0,0|3,0,0]=4 153 B5R0.2 ClCCOCCl CS-W013455 [0,0,1,0,0,0|2,0,1]=4 154 B5R0.2 N#CCCCI CS-0239629 [0,0,1,0,0,0|2,0,1]=4 155 B5R0.2 N#CCCCN CS-0034835 [0,0,1,0,0,0|2,0,1]=4 156 B5R0.2 NCCCCN CS-0214045 [0,0,1,0,0,0|2,0,1]=4 157 B5R0.2 NCCCCN CS-0468676 [0,0,1,0,0,0|2,0,1]=4 158 B5R0.2 NNCCCO CS-0047562 [0,0,1,0,0,0|2,0,0]=3 159 B5R0.2 OCCCCI CS-0130048 [0,0,1,0,0,0|1,0,1]=3 160 B5R0.2 OCCCCO CS-0637550 [0,0,1,0,0,0|0,0,2]=3 161 B5R0.3 C#CC(=O)CC CS-0262502 [0,0,1,0,0,0|1,0,1]=3 162 B5R0.3 CCC(=O)SC CS-0511804 [0,0,1,0,0,0|0,1,0]=2 163 B5R0.3 CCC(C)NC CS-0249746 [0,0,1,0,0,0|2,0,1]=4 164 B5R0.3 CC\C(N)=N\O CS-0701769 [0,0,1,0,0,0|3,0,0]=4 165 B5R0.3 CNC(=N)SC CS-0204572 [0,0,1,0,0,0|2,1,0]=4 166 B5R0.3 CNC(=O)CO CS-0205237 [0,0,1,0,0,0|2,0,0]=3 167 B5R0.3 CNC(=O)NN CS-0210256 [0,0,1,0,0,0|3,0,0]=4 168 B5R0.3 CNC(=O)OC CS-0211316 [0,0,1,0,0,0|1,0,0]=2 169 B5R0.3 COC(=S)NN CS-B1194 [0,0,1,0,0,0|2,1,0]=4 170 B5R0.3 COC(C)CN CS-0148787 [0,0,1,0,0,0|2,0,1]=4 171 B5R0.3 NCC(=O)CN CS-0165855 [0,0,1,0,0,0|3,0,0]=4 172 B5R0.3 O=C(CO)CO CS-W021282 [0,0,1,0,0,0|3,0,0]=4 173 B5R1.2 BrC1CNC1 CS-0659597 [0,0,0,0,1,0|2,0,1]=4 174 B5R1.2 IC1CCC1 CS-0131037 [0,0,0,0,1,0|1,0,1]=3 175 B5R1.2 IC1CNC1 CS-0054011 [0,0,0,0,1,0|2,0,1]=4 176 B5R1.2 SC1CNC1 CS-0049912 [0,0,0,0,1,0|1,1,1]=4 177 B7R1.3 BrC1=CCSCC1 CS-0693505 [0,0,0,0,0,1|2,0,0]=3 178 B7R1.3 BrC1CCNCC1 CS-0683338 [0,0,0,0,0,1|2,0,1]=4 179 B7R1.3 C=C1CCOCC1 CS-W004277 [0,0,0,0,0,1|2,0,0]=3 180 B7R1.3 CB1OCCCO1 CS-0698995 [0,0,0,0,0,1|2,0,0]=3 181 B7R1.3 C[C@@H]1CCCCN1 CS-0146588 [0,0,0,0,0,1|2,0,1]=4 182 B7R1.3 C[C@@H]1CNCCN1 CS-0170840 [0,0,0,0,0,1|2,0,1]=4 183 B7R1.3 ClC1C=CCCC1 CS-0111298 [0,0,0,0,0,1|2,0,1]=4 184 B7R1.3 N=C1NCCCS1 CS-0072965 [0,0,0,0,0,1|1,1,0]=3 185 B7R1.3 NC1=NCCCC1 CS-0021164 [0,0,0,0,0,1|2,0,0]=3 186 B7R1.3 NC1=NCCCN1 CS-0072997 [0,0,0,0,0,1|2,0,0]=3 187 B7R1.3 NC1CCCCC1 CS-0214048 [0,0,0,0,0,1|2,0,1]=4 188 B7R1.3 NC1CCOCC1 CS-0439638 [0,0,0,0,0,1|2,0,1]=4 189 B7R1.3 NN1CCCCC1 CS-W001609 [0,0,0,0,0,1|3,0,0]=4 190 B7R1.3 N[C@H]1CCCNC1 CS-0310189 [0,0,0,0,0,1|2,0,1]=4 191 B7R1.3 O=C1C=CCOC1 CS-0051593 [0,0,0,0,0,1|0,0,2]=3 192 B7R1.3 O=C1CNCCN1 CS-0183828 [0,0,0,0,0,1|1,0,0]=2 193 B7R1.3 O=S1CCOCC1 CS-0686002 [0,0,0,0,0,1|2,0,0]=3 194 B7R1.3 OC1CCCSC1 CS-0256670 [0,0,0,0,0,1|0,1,2]=4 195 B7R1.3 OC1COCOC1 CS-0249215 [0,0,0,0,0,1|1,0,2]=4 196 B7R1.3 O[C@@H]1CCCOC1 CS-0053086 [0,0,0,0,0,1|0,0,2]=3 197 B7R1.3 S=C1CCCCN1 CS-0265032 [0,0,0,0,0,1|1,1,0]=3 198 B7R1.3 S=C1NCCCS1 CS-0231397 [0,0,0,0,0,1|0,2,0]=3 199 B7R1.3 SC1CCNCC1 CS-0048752 [0,0,0,0,0,1|1,1,1]=4 200 B4R0.1 C=CC(=O)O CS-0167345 [1,0,1,0,0,0|0,0,2]=4 201 B4R0.1 CC(=O)CN CS-0697654 [1,0,1,0,0,0|1,0,0]=3 202 B4R0.1 CC(=O)O[Cs] CS-0085593 [1,0,1,0,0,0|1,0,0]=3 203 B4R0.1 CCC(=N)N CS-0152666 [1,0,1,0,0,0|2,0,0]=4 204 B4R0.1 CC[PH](C)=O CS-0637552 [1,0,1,0,0,0|1,0,0]=3 205 B4R0.1 COC(C)=N CS-0134497 [1,0,1,0,0,0|1,0,0]=3 206 B4R0.1 CSC(C)=O CS-0154991 [1,0,1,0,0,0|0,1,0]=3 207 B4R0.1 C\C=C(/C)Br CS-0613808 [1,0,1,0,0,0|1,0,1]=4 208 B4R0.1 C\C=C(\C)Br CS-0444617 [1,0,1,0,0,0|1,0,1]=4 209 B4R0.1 NC(=O)CS CS-0094728 [1,0,1,0,0,0|2,0,0]=4 210 B4R0.1 NCC(N)=O CS-0685233 [1,0,1,0,0,0|2,0,0]=4 211 B4R0.1 O=C(O)CO CS-0205290 [1,0,1,0,0,0|1,0,0]=3 212 B4R0.1 O=C(O)[Ba]O CS-0783548 [1,0,1,0,0,0|2,0,0]=4 213 B4R0.1 O=C([O-])CO CS-0110893 [1,0,1,0,0,0|1,0,1]=4 214 B4R0.1 O=S(O)CF CS-0779635 [1,0,1,0,0,0|2,0,0]=4 215 B4R0.1 O=S(O)CO CS-0699021 [1,0,1,0,0,0|2,0,0]=4 216 B4R0.2 C=C=CCO CS-0239838 [1,0,1,0,0,0|0,0,2]=4 217 B4R0.2 C=CCCN CS-0227046 [1,0,1,0,0,0|1,0,1]=4 218 B4R0.2 CCCCN CS-0214095 [1,0,1,0,0,0|1,0,1]=4 219 B4R0.2 CCCC[O-] CS-0870886 [1,0,1,0,0,0|0,0,2]=4 220 B4R0.2 CCCON CS-0106185 [1,0,1,0,0,0|1,0,0]=3 221 B4R0.2 CCNCC CS-0621902 [1,0,1,0,0,0|1,0,1]=4 222 B4R0.2 CCNOC CS-0160235 [1,0,1,0,0,0|1,0,0]=3 223 B4R0.2 CCSSC CS-0343199 [1,0,1,0,0,0|1,1,0]=4 224 B4R0.2 CC\C=N\O CS-0239378 [1,0,1,0,0,0|1,0,1]=4 225 B4R0.2 COCCN CS-0115625 [1,0,1,0,0,0|1,0,1]=4 226 B4R0.2 COCCN CS-0214155 [1,0,1,0,0,0|1,0,1]=4 227 B4R0.2 NCCCO CS-0375891 [1,0,1,0,0,0|1,0,0]=3 228 B4R0.2 [Li]OOC=O CS-0376129 [1,0,1,0,0,0|2,0,0]=4 229 B6R0.1 C(C)=CC(=O)CC CS-W013723 [0,1,1,0,0,0|1,0,1]=4 230 B6R0.1 C=CC(O)CCC CS-0188333 [0,1,1,0,0,0|1,0,1]=4 231 B6R0.1 CCCC(=O)CCl CS-0252325 [0,1,1,0,0,0|1,0,0]=3 232 B6R0.1 CCCC(=O)NO CS-0179704 [0,1,1,0,0,0|0,0,0]=2 233 B6R0.1 CCCC(N)CO CS-0089892 [0,1,1,0,0,0|1,0,1]=4 234 B6R0.1 CCCC(O)C#N CS-0230777 [0,1,1,0,0,0|1,0,1]=4 235 B6R0.1 CCC[C@@H](N)CO CS-0088083 [0,1,1,0,0,0|1,0,1]=4 236 B6R0.1 CCC[C@@H](N)CO CS-1181369 [0,1,1,0,0,0|1,0,1]=4 237 B6R0.1 CCNC(=O)CC CS-0205055 [0,1,1,0,0,0|1,0,0]=3 238 B6R0.1 CCNC(=O)CCl CS-0037573 [0,1,1,0,0,0|1,0,0]=3 239 B6R0.1 CCNC(=O)CI CS-0258404 [0,1,1,0,0,0|1,0,0]=3 240 B6R0.1 CCNC(=O)CN CS-0464992 [0,1,1,0,0,0|1,0,0]=3 241 B6R0.1 CCNC(=O)CO CS-0239967 [0,1,1,0,0,0|1,0,0]=3 242 B6R0.1 CCOC(=N)CC CS-0047019 [0,1,1,0,0,0|1,0,0]=3 243 B6R0.1 CCOC(=N)CCl CS-0208478 [0,1,1,0,0,0|1,0,0]=3 244 B6R0.1 CCOC(=O)NO CS-0235105 [0,1,1,0,0,0|1,0,0]=3 245 B6R0.1 CCSC(=O)CC CS-0313626 [0,1,1,0,0,0|0,1,0]=3 246 B6R0.1 CNC(=O)CCN CS-0665982 [0,1,1,0,0,0|2,0,0]=4 247 B6R0.1 CNC(=O)COC CS-0243458 [0,1,1,0,0,0|2,0,0]=4 248 B6R0.1 CNCC(=O)NC CS-0039124 [0,1,1,0,0,0|2,0,0]=4 249 B6R0.1 CNCC(=O)NC CS-0213249 [0,1,1,0,0,0|2,0,0]=4 250 B6R0.1 CONC(=O)OC CS-0160296 [0,1,1,0,0,0|2,0,0]=4 251 B6R0.1 CSCC(=N)NO CS-0212758 [0,1,1,0,0,0|2,0,0]=4 252 B6R0.1 CSCC(=O)NN CS-0224650 [0,1,1,0,0,0|2,0,0]=4 253 B6R0.1 C\N=C(/O)CCN CS-W007299 [0,1,1,0,0,0|2,0,0]=4 254 B6R0.2 CC(=O)NC(C)=O CS-0188389 [0,1,1,0,0,0|1,0,1]=4 255 B6R0.2 CC(=O)SC(C)=O CS-0622069 [0,1,1,0,0,0|0,1,1]=4 256 B6R0.2 CC(=O)[CH-]C(C)=O CS-0871014 [0,1,1,0,0,0|1,0,1]=4 257 B6R0.2 CC(=O)\C=C(\C)N CS-0369638 [0,1,1,0,0,0|1,0,1]=4 258 B6R0.2 CC(C)=CC(C)O CS-0006593 [0,1,1,0,0,0|2,0,0]=4 259 B6R0.2 CC(C)CC(=N)N CS-0122240 [0,1,1,0,0,0|2,0,0]=4 260 B6R0.2 CC(C)C[C@@H](C)O CS-0273778 [0,1,1,0,0,0|1,0,1]=4 261 B6R0.2 CC(Cl)CC(=O)O CS-0206565 [0,1,1,0,0,0|0,0,0]=2 262 B6R0.2 CN(C)CC(N)=O CS-0159757 [0,1,1,0,0,0|2,0,0]=4 263 B6R0.2 C[S+](C)CC(=O)O CS-0204683 [0,1,1,0,0,0|1,0,0]=3 264 B6R0.2 C[S+](C)CC(=O)[O-] CS-0674576 [0,1,1,0,0,0|1,0,1]=4 265 B6R0.2 C\C(Cl)=C\C(=O)O CS-0245046 [0,1,1,0,0,0|0,0,2]=4 266 B6R0.3 C=C(CO)C(=O)O CS-0234763 [0,1,1,0,0,0|1,0,1]=4 267 B6R0.3 CC(CN)C(=O)O CS-0154043 [0,1,1,0,0,0|1,0,0]=3 268 B6R0.3 CC(CS)C(=O)O CS-0141858 [0,1,1,0,0,0|1,0,0]=3 269 B6R0.3 CCC(Cl)C(=O)O CS-0283480 [0,1,1,0,0,0|0,0,0]=2 270 B6R0.3 CCC(O)C(C)O CS-0243433 [0,1,1,0,0,0|1,0,1]=4 271 B6R0.3 CC[C@@H](C)C(N)=O CS-0604251 [0,1,1,0,0,0|1,0,0]=3 272 B6R0.3 CC[C@@H](Cl)C(=O)O CS-0198794 [0,1,1,0,0,0|0,0,0]=2 273 B6R0.3 CC[C@H](O)C(=O)O CS-1022965 [0,1,1,0,0,0|0,0,0]=2 274 B6R0.3 CC[C@H](S)C(=O)O CS-0442983 [0,1,1,0,0,0|0,0,0]=2 275 B6R0.3 CNC(C)C(=O)O CS-0662516 [0,1,1,0,0,0|1,0,0]=3 276 B6R0.3 CN[C@@H](C)C(N)=O CS-0224966 [0,1,1,0,0,0|2,0,0]=4 277 B6R0.3 CN[C@@H](C)C(N)=O CS-0966766 [0,1,1,0,0,0|2,0,0]=4 278 B6R0.3 CN[C@H](C)C(=O)O CS-0687682 [0,1,1,0,0,0|1,0,0]=3 279 B6R0.3 CN[C@H](C)C(N)=O CS-0225838 [0,1,1,0,0,0|2,0,0]=4 280 B6R0.3 CSC(C)C(=O)O CS-0668009 [0,1,1,0,0,0|1,0,0]=3 281 B6R0.3 C\C=C(/Br)C(=O)O CS-0667066 [0,1,1,0,0,0|0,0,2]=4 282 B6R0.3 C\C=C(/C)C(C)=O CS-0504210 [0,1,1,0,0,0|1,0,1]=4 283 B6R0.3 C\C=C(/O)C(=O)O CS-0514888 [0,1,1,0,0,0|0,0,2]=4 284 B6R0.3 NC(=O)C(Cl)CCl CS-0315076 [0,1,1,0,0,0|2,0,0]=4 285 B6R0.3 NC(=O)[C@@H](N)CO CS-0091329 [0,1,1,0,0,0|2,0,0]=4 286 B6R0.3 NC(CCl)C(=O)O CS-W016172 [0,1,1,0,0,0|1,0,0]=3 287 B6R0.3 N[C@@H](CCl)C(=O)O CS-0133369 [0,1,1,0,0,0|1,0,0]=3 288 B6R0.3 O=C(O)C(=O)CBr CS-0518643 [0,1,1,0,0,0|1,0,1]=4 289 B6R0.3 O=C(O)[C@H](O)CO CS-0179318 [0,1,1,0,0,0|1,0,0]=3 290 B6R0.4 C=C(C)CNCC CS-0119901 [0,1,1,0,0,0|2,0,0]=4 291 B6R0.4 CC(=O)CCCBr CS-0103669 [0,1,1,0,0,0|1,0,0]=3 292 B6R0.4 CC(=O)NCC#N CS-0514945 [0,1,1,0,0,0|1,0,1]=4 293 B6R0.4 CC(=O)NCCN CS-W013694 [0,1,1,0,0,0|1,0,0]=3 294 B6R0.4 CC(=O)OCC#N CS-0248523 [0,1,1,0,0,0|0,0,1]=3 295 B6R0.4 CC(=O)SCCN CS-0256575 [0,1,1,0,0,0|0,1,0]=3 296 B6R0.4 CC(=O)SCCN CS-0680538 [0,1,1,0,0,0|0,1,0]=3 297 B6R0.4 CC(O)CCCCl CS-0210356 [0,1,1,0,0,0|1,0,1]=4 298 B6R0.4 CCCCC(=O)Br CS-0185634 [0,1,1,0,0,0|1,0,0]=3 299 B6R0.4 CCCCC(N)=O CS-0206049 [0,1,1,0,0,0|1,0,0]=3 300 B6R0.4 CCCNC(=N)N CS-0230450 [0,1,1,0,0,0|2,0,0]=4 301 B6R0.4 CCCNC(N)=O CS-0207277 [0,1,1,0,0,0|1,0,0]=3 302 B6R0.4 CCCNC(N)=S CS-0128708 [0,1,1,0,0,0|1,1,0]=4 303 B6R0.4 CCNCC(=O)O CS-0250575 [0,1,1,0,0,0|0,0,0]=2 304 B6R0.4 CCNCC(C)O CS-0622152 [0,1,1,0,0,0|1,0,1]=4 305 B6R0.4 CCNC[C@H](C)O CS-0670719 [0,1,1,0,0,0|1,0,1]=4 306 B6R0.4 CCOCC(=N)N CS-0299543 [0,1,1,0,0,0|2,0,0]=4 307 B6R0.4 CCOCC(C)N CS-0688785 [0,1,1,0,0,0|1,0,1]=4 308 B6R0.4 CCONC(C)=O CS-0017501 [0,1,1,0,0,0|0,0,0]=2 309 B6R0.4 CC\C=C\C(C)=O CS-0782888 [0,1,1,0,0,0|1,0,0]=3 310 B6R0.4 COCCC(=N)N CS-0046979 [0,1,1,0,0,0|2,0,0]=4 311 B6R0.4 COCCC(=N)N CS-0261114 [0,1,1,0,0,0|2,0,0]=4 312 B6R0.4 COCCC(N)=O CS-0251977 [0,1,1,0,0,0|1,0,0]=3 313 B6R0.4 COCCC(N)=S CS-0355835 [0,1,1,0,0,0|1,1,0]=4 314 B6R0.4 COCCS(=O)O CS-0902763 [0,1,1,0,0,0|1,0,0]=3 315 B6R0.4 CO\N=C\C(=O)O CS-0232698 [0,1,1,0,0,0|1,0,1]=4 316 B6R0.4 CSCCC(=N)N CS-0259328 [0,1,1,0,0,0|2,0,0]=4 317 B6R0.4 CSCOC(C)=O CS-0316444 [0,1,1,0,0,0|0,0,0]=2 318 B6R0.4 C\C(O)=N\CCCl CS-W011197 [0,1,1,0,0,0|1,0,1]=4 319 B6R0.4 NC(=O)CCCCl CS-0660671 [0,1,1,0,0,0|1,0,0]=3 320 B6R0.4 NC(=O)CCCO CS-0678691 [0,1,1,0,0,0|1,0,0]=3 321 B6R0.4 NC(=O)OCCO CS-0218046 [0,1,1,0,0,0|1,0,0]=3 322 B6R0.4 NCCCC(=O)O CS-0259736 [0,1,1,0,0,0|0,0,0]=2 323 B6R0.4 NCCNC(N)=O CS-0806746 [0,1,1,0,0,0|2,0,0]=4 324 B6R0.4 NCCOC(N)=O CS-0231941 [0,1,1,0,0,0|1,0,0]=3 325 B6R0.4 O=C(O)CCCI CS-0045052 [0,1,1,0,0,0|0,0,0]=2 326 B6R0.5 CCCS(=O)(=O)F CS-0251198 [0,1,1,0,0,0|1,0,1]=4 327 B6R0.5 CCCS(=O)(=O)O CS-0204485 [0,1,1,0,0,0|1,0,0]=3 328 B6R0.5 O=P(O)(O)CCBr CS-W021061 [0,1,1,0,0,0|2,0,0]=4 329 B6R0.5 O=S(=O)(O)CCBr CS-0130412 [0,1,1,0,0,0|2,0,0]=4 330 B6R0.6 C#CCNCCO CS-0661673 [0,1,1,0,0,0|1,0,1]=4 331 B6R0.6 C=CCCCC#N CS-0327133 [0,1,1,0,0,0|2,0,0]=4 332 B6R0.6 C=CCCCCCl CS-0267298 [0,1,1,0,0,0|2,0,0]=4 333 B6R0.6 C=CCCCCN CS-0769784 [0,1,1,0,0,0|2,0,0]=4 334 B6R0.6 C=CCSCCN CS-0252157 [0,1,1,0,0,0|2,0,0]=4 335 B6R0.6 C=COCCOC CS-0238597 [0,1,1,0,0,0|1,0,0]=3 336 B6R0.6 CC=C=CCCO CS-0260353 [0,1,1,0,0,0|1,0,1]=4 337 B6R0.6 CCCCOCCl CS-0517473 [0,1,1,0,0,0|1,0,1]=4 338 B6R0.6 CCCOCC#N CS-0251393 [0,1,1,0,0,0|1,0,1]=4 339 B6R0.6 CCCSCCO CS-0358874 [0,1,1,0,0,0|1,0,1]=4 340 B6R0.6 CCC\C=C/CO CS-0185821 [0,1,1,0,0,0|1,0,1]=4 341 B6R0.6 CCNCCCO CS-0209413 [0,1,1,0,0,0|1,0,1]=4 342 B6R0.6 CCOCCCBr CS-0217812 [0,1,1,0,0,0|1,0,1]=4 343 B6R0.6 CCOCCCCl CS-0209053 [0,1,1,0,0,0|1,0,1]=4 344 B6R0.6 CCOCCCI CS-0252970 [0,1,1,0,0,0|1,0,1]=4 345 B6R0.6 CCSCCCO CS-0299691 [0,1,1,0,0,0|1,0,1]=4 346 B6R0.6 COCCCC#N CS-0139387 [0,1,1,0,0,0|1,0,1]=4 347 B6R0.6 COCCCCN CS-0139373 [0,1,1,0,0,0|1,0,1]=4 348 B6R0.6 COCCCNN CS-0458223 [0,1,1,0,0,0|2,0,0]=4 349 B6R0.6 COCCCOC CS-0696948 [0,1,1,0,0,0|2,0,0]=4 350 B6R0.6 C\C=C/CCCO CS-0185820 [0,1,1,0,0,0|1,0,0]=3 351 B6R0.6 C\C=C\CCCO CS-0163135 [0,1,1,0,0,0|1,0,0]=3 352 B6R0.6 C\C=C\CCCO CS-0311846 [0,1,1,0,0,0|1,0,0]=3 353 B6R0.6 N#CCCCCO CS-W001265 [0,1,1,0,0,0|1,0,1]=4 354 B6R0.6 NCCOCCO CS-0648204 [0,1,1,0,0,0|1,0,1]=4 355 B6R0.6 NOCCCON CS-0089582 [0,1,1,0,0,0|2,0,0]=4 356 B6R0.8 CCP(=O)(O)CC CS-0569340 [0,1,1,0,0,0|2,0,0]=4 357 B6R0.8 CCS(=O)(=O)NC CS-0252152 [0,1,1,0,0,0|2,0,0]=4 358 B6R0.8 CCS(=O)(=O)O[Na] CS-0310493 [0,1,1,0,0,0|2,0,0]=4 359 B6R0.9 CCC(CC)=NO CS-0248514 [0,1,1,0,0,0|1,0,1]=4 360 B6R0.9 CCC(CO)OC CS-0447197 [0,1,1,0,0,0|0,0,2]=4 361 B6R1.5 CC1CC(=O)O1 CS-0377913 [0,1,0,0,1,0|0,0,0]=2 362 B6R1.5 CN1CC(N)C1 CS-0172433 [0,1,0,0,1,0|2,0,0]=4 363 B6R1.5 NC1CC(N)C1 CS-0184391 [0,1,0,0,1,0|1,0,1]=4 364 B6R1.5 NN1CC(O)C1 CS-0052640 [0,1,0,0,1,0|2,0,0]=4 365 B6R1.5 N[C@H]1C[C@@H](Br)C1 CS-0470578 [0,1,0,0,1,0|1,0,1]=4 366 B6R1.5 N[C@H]1C[C@H](O)C1 CS-0047791 [0,1,0,0,1,0|0,0,2]=4 367 B6R1.5 O=C1CC(Br)C1 CS-0040508 [0,1,0,0,1,0|0,0,0]=2 368 B6R1.5 OC1CC(O)C1 CS-0049637 [0,1,0,0,1,0|0,0,2]=4 369 B6R1.6 OC[C@H]1CCO1 CS-0120764 [0,1,0,0,1,0|0,0,2]=4 370 B6R1.10 O=S1(=O)CCC1 CS-W011293 [0,1,0,0,1,0|1,0,0]=3 371 B8R1.2 CNC1CCCOC1 CS-0208750 [0,1,0,0,0,1|1,0,1]=4 372 B8R1.2 CSC1=NCCCN1 CS-0453557 [0,1,0,0,0,1|1,1,0]=4 373 B8R1.2 ClCC1CCCCO1 CS-0204782 [0,1,0,0,0,1|1,0,1]=4 374 B8R1.2 ClCC1CNCCO1 CS-0692221 [0,1,0,0,0,1|1,0,1]=4 375 B8R1.2 ICC1COCCO1 CS-0071504 [0,1,0,0,0,1|1,0,1]=4 376 B8R1.2 N#CC1=CNCCC1 CS-0770110 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.2 N#CC1=COCCO1 CS-0071728 [0,1,0,0,0,1|1,0,1]=4 378 B8R1.2 NCC1CCCCO1 CS-0041578 [0,1,0,0,0,1|1,0,1]=4 379 B8R1.2 NCC1CCCCO1 CS-0205807 [0,1,0,0,0,1|1,0,1]=4 380 B8R1.2 NCC1CCCOC1 CS-D0477 [0,1,0,0,0,1|1,0,1]=4 381 B8R1.2 NNC1=NCCCN1 CS-0763006 [0,1,0,0,0,1|2,0,0]=4 382 B8R1.2 NNC1CCCOC1 CS-0183340 [0,1,0,0,0,1|1,0,1]=4 383 B8R1.2 O=CC1=CCCCC1 CS-0204676 [0,1,0,0,0,1|1,0,0]=3 384 B8R1.2 O=CC1=CCCSC1 CS-0235134 [0,1,0,0,0,1|1,0,0]=3 385 B8R1.2 O=CC1CCCCN1 CS-0171600 [0,1,0,0,0,1|1,0,1]=4 386 B8R1.2 O=CC1CCCCO1 CS-0183379 [0,1,0,0,0,1|0,0,1]=3 387 B8R1.2 O=CC1CCCOC1 CS-W008553 [0,1,0,0,0,1|0,0,1]=3 388 B8R1.3 C=C1CCC(=O)CC1 CS-0465068 [0,1,0,0,0,1|1,0,0]=3 389 B8R1.3 CC1=NNC(=O)CC1 CS-1055591 [0,1,0,0,0,1|1,0,1]=4 390 B8R1.3 CC1C=CC(=O)CC1 CS-0051212 [0,1,0,0,0,1|1,0,0]=3 391 B8R1.3 CC1CNC(=O)CN1 CS-0050431 [0,1,0,0,0,1|1,0,0]=3 392 B8R1.3 CN1CC=C(Br)CC1 CS-0696146 [0,1,0,0,0,1|2,0,0]=4 393 B8R1.3 C[C@@H]1CO[C@H](C)CN1 CS-0245663 [0,1,0,0,0,1|1,0,1]=4 394 B8R1.3 C[C@H]1CNC(=O)CN1 CS-0053133 [0,1,0,0,0,1|1,0,0]=3 395 B8R1.3 C[C@H]1CN[C@H](C)CO1 CS-0040651 [0,1,0,0,0,1|1,0,1]=4 396 B8R1.3 O=C1CCC(=O)NC1 CS-0009359 [0,1,0,0,0,1|1,0,0]=3 397 B8R1.3 O=C1CCC(Br)CC1 CS-0139183 [0,1,0,0,0,1|1,0,0]=3 398 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,1,0,0,0,1|1,0,0]=3 399 B8R1.3 O=C1NCC(O)CN1 CS-0149711 [0,1,0,0,0,1|1,0,0]=3 400 B8R1.3 [C@H]1(N)CCC(O)=NC1 CS-W006881 [0,1,0,0,0,1|1,0,1]=4 401 B8R1.4 CC1CCCC(=O)C1 CS-W011266 [0,1,0,0,0,1|1,0,0]=3 402 B8R1.4 CC1CCOC(=O)O1 CS-0062234 [0,1,0,0,0,1|0,0,0]=2 403 B8R1.4 CC1CNCC(C)O1 CS-0187731 [0,1,0,0,0,1|1,0,1]=4 404 B8R1.4 CN1CCC=C(Br)C1 CS-W001547 [0,1,0,0,0,1|2,0,0]=4 405 B8R1.4 CN1CCCC(=O)C1 CS-0664942 [0,1,0,0,0,1|1,0,0]=3 406 B8R1.4 C[C@@H]1CCCC(=O)C1 CS-0217860 [0,1,0,0,0,1|1,0,0]=3 407 B8R1.4 C[C@@H]1C[C@@H](O)CCO1 CS-0858466 [0,1,0,0,0,1|1,0,1]=4 408 B8R1.4 C[C@H]1C[C@@H](O)CCO1 CS-0183100 [0,1,0,0,0,1|1,0,1]=4 409 B8R1.4 NC1CCCC(=O)C1 CS-0055078 [0,1,0,0,0,1|1,0,0]=3 410 B8R1.4 NC1CCCC(=O)C1 CS-0464639 [0,1,0,0,0,1|1,0,0]=3 411 B8R1.4 NC1CCN=C(O)C1 CS-W005407 [0,1,0,0,0,1|1,0,1]=4 412 B8R1.4 O=C1C=C(O)CCC1 CS-0155450 [0,1,0,0,0,1|1,0,0]=3 413 B8R1.4 O=C1CCCC(O)C1 CS-0051335 [0,1,0,0,0,1|1,0,0]=3 414 B8R1.4 O=C1COCC(=O)C1 CS-W005641 [0,1,0,0,0,1|0,0,1]=3 415 B8R1.4 O=C1[CH-]C(=O)COC1 CS-0197468 [0,1,0,0,0,1|0,0,2]=4 416 B8R1.5 BrC1CCCOC1Br CS-0232875 [0,1,0,0,0,1|1,0,1]=4 417 B8R1.5 CC1=CCCCC1=O CS-0206231 [0,1,0,0,0,1|1,0,0]=3 418 B8R1.5 CC1CCCOC1=O CS-0440412 [0,1,0,0,0,1|0,0,0]=2 419 B8R1.5 CC1CSCCC1=O CS-0152667 [0,1,0,0,0,1|1,0,0]=3 420 B8R1.5 CC1SCCNC1=O CS-0006425 [0,1,0,0,0,1|1,0,0]=3 421 B8R1.5 CN1CCCCC1=O CS-0222604 [0,1,0,0,0,1|1,0,0]=3 422 B8R1.5 CN1CCCNC1=S CS-0223575 [0,1,0,0,0,1|1,1,0]=4 423 B8R1.5 Cl[C@@H]1OCCO[C@H]1Cl CS-0451994 [0,1,0,0,0,1|1,0,1]=4 424 B8R1.5 NN1CCCCC1=O CS-0252905 [0,1,0,0,0,1|1,0,0]=3 425 B8R1.5 N[C@@H]1CCCNC1=O CS-0200063 [0,1,0,0,0,1|1,0,0]=3 426 B8R1.5 N[C@@H]1COCC[C@H]1O CS-0801126 [0,1,0,0,0,1|1,0,1]=4 427 B8R1.5 N[C@H]1CCCNC1=O CS-W003592 [0,1,0,0,0,1|1,0,0]=3 428 B8R1.5 N[C@H]1CCOC[C@@H]1O CS-0053298 [0,1,0,0,0,1|0,0,2]=4 429 B8R1.5 N[C@H]1CCOC[C@H]1F CS-0053232 [0,1,0,0,0,1|1,0,1]=4 430 B8R1.5 N[C@H]1CCOC[C@H]1O CS-0053229 [0,1,0,0,0,1|0,0,2]=4 431 B8R1.5 N[C@H]1COCC[C@@H]1O CS-0047794 [0,1,0,0,0,1|1,0,1]=4 432 B8R1.5 N[C@H]1COCC[C@@H]1O CS-0053233 [0,1,0,0,0,1|1,0,1]=4 433 B8R1.5 N[C@H]1COCC[C@@H]1O CS-0927382 [0,1,0,0,0,1|1,0,1]=4 434 B8R1.5 O=C1CCCC=C1Br CS-0205484 [0,1,0,0,0,1|1,0,0]=3 435 B8R1.5 O=C1CCCCC1F CS-0040502 [0,1,0,0,0,1|1,0,0]=3 436 B8R1.5 O=C1OCCCC1O CS-W021939 [0,1,0,0,0,1|0,0,0]=2 437 B8R1.72 CC1(N)CCCOC1 CS-0183564 [0,1,0,0,0,1|1,0,1]=4 438 B8R1.72 O=S1(=O)OCCCO1 CS-0204556 [0,1,0,0,0,1|1,0,0]=3 439 B8R1.1 CCC1CCC(=O)C1 CS-0206422 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.1 CNC1=CC(=O)OC1 CS-0902604 [0,2,0,0,0,0|0,0,2]=4 441 B8R1.1 N#CC1CCC(=O)C1 CS-0035459 [0,2,0,0,0,0|1,0,0]=3 442 B8R1.1 NCC1CNC(=O)O1 CS-0050769 [0,2,0,0,0,0|1,0,0]=3 443 B8R1.1 NC[C@@H]1CNC(=O)O1 CS-0053138 [0,2,0,0,0,0|1,0,0]=3 444 B8R1.1 O=C1C=C(CBr)CO1 CS-0055014 [0,2,0,0,0,0|0,0,2]=4 445 B8R1.1 O=C1CC(CBr)CN1 CS-0070174 [0,2,0,0,0,0|1,0,0]=3 446 B8R1.1 O=C1CCC(CI)N1 CS-0511747 [0,2,0,0,0,0|1,0,0]=3 447 B8R1.1 O=C1CC[C@H](CO)O1 CS-0046919 [0,2,0,0,0,0|0,0,0]=2 448 B8R1.1 O=C1C[C@@H](CO)CN1 CS-0471469 [0,2,0,0,0,0|1,0,0]=3 449 B8R1.1 O=C1NCC(CO)N1 CS-1009826 [0,2,0,0,0,0|2,0,0]=4 450 B8R1.7 CC(=O)C1=CCCC1 CS-0272100 [0,2,0,0,0,0|1,0,0]=3 451 B8R1.7 CC(C)C1=NCCO1 CS-0321419 [0,2,0,0,0,0|2,0,0]=4 452 B8R1.7 CC(N)C1CCCO1 CS-0091427 [0,2,0,0,0,0|1,0,1]=4 453 B8R1.7 CC(N)C1CCCO1 CS-0244871 [0,2,0,0,0,0|1,0,1]=4 454 B8R1.7 C[C@H](N)C1CCCO1 CS-0266756 [0,2,0,0,0,0|1,0,1]=4 455 B8R1.7 NC(=O)C1CCCO1 CS-0149957 [0,2,0,0,0,0|0,0,1]=3 456 B8R1.7 NC(=O)N1CCCC1 CS-0307716 [0,2,0,0,0,0|2,0,0]=4 457 B8R1.7 NC(=O)[C@@H]1CCCO1 CS-0875166 [0,2,0,0,0,0|0,0,1]=3 458 B8R1.7 O=C(O)C1CCCN1 CS-0249243 [0,2,0,0,0,0|1,0,1]=4 459 B8R1.8 CCCC1=NCCO1 CS-0147317 [0,2,0,0,0,0|2,0,0]=4 460 B8R1.8 CCOC1=NCCC1 CS-0207567 [0,2,0,0,0,0|1,0,1]=4 461 B8R1.8 CNCC1CCCO1 CS-0145097 [0,2,0,0,0,0|1,0,1]=4 462 B8R1.8 N#CCC1=CCCC1 CS-0186442 [0,2,0,0,0,0|2,0,0]=4 463 B8R1.8 N#CCC1CCCO1 CS-0199403 [0,2,0,0,0,0|1,0,1]=4 464 B8R1.8 NCCC1CCCO1 CS-0286564 [0,2,0,0,0,0|1,0,1]=4 465 B8R1.8 NCCC1CCCO1 CS-0467451 [0,2,0,0,0,0|1,0,1]=4 466 B8R1.11 CCN1CCNC1=O CS-0090841 [0,2,0,0,0,0|2,0,0]=4 467 B8R1.11 N#CC1=C(O)CCC1 CS-0779881 [0,2,0,0,0,0|1,0,1]=4 468 B8R1.11 N#CC1CCOC1=O CS-0230222 [0,2,0,0,0,0|0,0,0]=2 469 B8R1.11 O=C1CCCN1CO CS-0216990 [0,2,0,0,0,0|1,0,0]=3 470 B8R1.52 CC1(C#N)CCCO1 CS-0216514 [0,2,0,0,0,0|1,0,1]=4 471 B8R1.52 CC1(CN)CCCO1 CS-0054801 [0,2,0,0,0,0|1,0,1]=4 472 B8R1.52 CC1(CN)CCCO1 CS-0184413 [0,2,0,0,0,0|1,0,1]=4 473 B8R1.52 COP1(=O)OCCO1 CS-0887148 [0,2,0,0,0,0|2,0,0]=4 474 B8R1.18 C=C1CC(C)OC1=O CS-0167387 [0,2,0,0,0,0|0,0,1]=3 475 B8R1.18 CC1=CC(=O)CC1C CS-0186737 [0,2,0,0,0,0|1,0,1]=4 476 B8R1.18 CC1=CC(=O)OC1O CS-0050459 [0,2,0,0,0,0|0,0,2]=4 477 B8R1.18 CC1=CC(Cl)OC1=O CS-0160680 [0,2,0,0,0,0|0,0,2]=4 478 B8R1.18 CC1CC(=O)N(C)N1 CS-0667270 [0,2,0,0,0,0|2,0,0]=4 479 B8R1.18 C[C@@H]1NC(=O)OC1=O CS-0158166 [0,2,0,0,0,0|1,0,1]=4 480 B8R1.18 C[C@H]1NC(=O)OC1=O CS-0465632 [0,2,0,0,0,0|1,0,1]=4 481 B8R1.18 NC1CC(=O)NC1=O CS-0687487 [0,2,0,0,0,0|1,0,1]=4 482 B8R1.50 CC1=C(Br)C(=O)CC1 CS-0757581 [0,2,0,0,0,0|1,0,1]=4 483 B8R1.50 CC1=C(C)C(=O)CC1 CS-0253128 [0,2,0,0,0,0|1,0,1]=4 484 B8R1.50 CC1=C(O)C(=O)CC1 CS-W013661 [0,2,0,0,0,0|1,0,1]=4 485 B8R1.50 CC1CCC(=O)N1C CS-0747014 [0,2,0,0,0,0|1,0,0]=3 486 B8R1.50 CC1CCN(C)C1=O CS-0055119 [0,2,0,0,0,0|1,0,0]=3 487 B8R1.50 CN1C(=O)CCC1O CS-W000536 [0,2,0,0,0,0|1,0,0]=3 488 B8R1.50 CN1C(=O)COC1=O CS-0260018 [0,2,0,0,0,0|1,0,1]=4 489 B8R1.50 CN1CCC(Br)C1=O CS-0058369 [0,2,0,0,0,0|1,0,0]=3 490 B8R1.50 CN1CC[C@@H](O)C1=O CS-0106928 [0,2,0,0,0,0|1,0,0]=3 491 B8R1.50 NN1C(=O)CCC1=O CS-0450864 [0,2,0,0,0,0|1,0,1]=4 492 B8R1.51 CC1(C)CNC(=O)C1 CS-M3328 [0,2,0,0,0,0|1,0,0]=3 493 B8R1.51 CC1(C)CNC(=O)N1 CS-0496001 [0,2,0,0,0,0|2,0,0]=4 494 B8R1.51 CC1(C)OCC(=O)O1 CS-W011234 [0,2,0,0,0,0|1,0,0]=3 495 B8R1.51 NC1CCS(=O)(=O)C1 CS-0040471 [0,2,0,0,0,0|2,0,0]=4 496 B8R1.51 O=S1(=O)CCC(Br)C1 CS-0074766 [0,2,0,0,0,0|2,0,0]=4 497 B8R1.19 CC1(C)CCOC1=O CS-0434158 [0,2,0,0,0,0|0,0,0]=2 498 B8R1.19 CC1(C)OCCC1=O CS-0185202 [0,2,0,0,0,0|2,0,0]=4 499 B8R1.19 CC1CCOS1(=O)=O CS-0109864 [0,2,0,0,0,0|1,0,0]=3 500 B8R1.19 CN1CCCS1(=O)=O CS-0456091 [0,2,0,0,0,0|2,0,0]=4 501 B6R1.11 N=C(N)C1CC1 CS-0036166 [0,0,1,1,0,0|2,0,0]=4 502 B6R1.1 C1=COCCO1 CS-0465803 [0,0,1,1,0,0|2,0,0]=4 503 B6R1.1 C1CNCOC1 CS-W007123 [0,0,1,1,0,0|1,0,1]=4 504 B6R1.1 C1COCOC1 CS-0331949 [0,0,1,1,0,0|0,0,2]=4 505 B8R2.2 [C@H]12COC[C@@]1(N)C2 CS-0909277 [0,0,0,1,0,1|1,0,1]=4 506 B8R2.34 C1OC2CNC1C2 CS-0051828 [0,0,0,1,0,1|1,0,1]=4 507 B8R2.34 C1O[C@@H]2CN[C@H]1C2 CS-0053548 [0,0,0,1,0,1|1,0,1]=4 508 B8R2.34 C1O[C@H]2CN[C@@H]1C2 CS-0053606 [0,0,0,1,0,1|1,0,1]=4 509 B8R2.34 C1O[C@H]2CN[C@@H]1C2 CS-0058732 [0,0,0,1,0,1|1,0,1]=4 510 B8R2.38 O=C1CCC2CC12 CS-0144918 [0,0,0,1,0,1|1,0,0]=3 511 B8R2.38 [C@H]12C[C@H]1CCC2=O CS-0055792 [0,0,0,1,0,1|1,0,0]=3 512 B8R1.22 O=C1CCOCCO1 CS-0205374 [0,0,0,0,0,2|0,0,0]=2 513 B8R1.22 O=C1CNCCCN1 CS-0067156 [0,0,0,0,0,2|1,0,0]=3 514 B8R1.22 O=C1CNCCCN1 CS-W003914 [0,0,0,0,0,2|1,0,0]=3 515 B8R1.22 O=C1CSCCSC1 CS-0259160 [0,0,0,0,0,2|0,1,0]=3 516 B8R1.22 OC1CNCCOC1 CS-0341556 [0,0,0,0,0,2|0,0,2]=4 517 B8R1.22 S=C1CCCCCN1 CS-W016412 [0,0,0,0,0,2|1,1,0]=4