0 B5R1.1 C1=CCNC1 CS-W016634 [0,0,0,0,0,0|0,0,2]=2 1 B5R1.1 C1=CNC=C1 CS-0655066 [0,0,0,0,0,0|0,0,4]=4 2 B5R1.1 C1=CNC=N1 CS-0214094 [0,0,0,0,0,0|1,0,3]=4 3 B5R1.1 C1=CNC=N1 CS-0214156 [0,0,0,0,0,0|1,0,3]=4 4 B5R1.1 C1=CNC=N1 CS-5135 [0,0,0,0,0,0|1,0,3]=4 5 B5R1.1 C1=CNN=C1 CS-W008829 [0,0,0,0,0,0|1,0,3]=4 6 B5R1.1 C1=CNN=N1 CS-B1285 [0,0,0,0,0,0|2,0,2]=4 7 B5R1.1 C1=NC=NN1 CS-D1150 [0,0,0,0,0,0|2,0,2]=4 8 B5R1.1 C1=NN=CN1 CS-0136347 [0,0,0,0,0,0|2,0,2]=4 9 B5R1.1 C1=NN=CN1 CS-0368547 [0,0,0,0,0,0|2,0,2]=4 10 B5R1.1 C1=NNN=C1 CS-0145707 [0,0,0,0,0,0|2,0,2]=4 11 B5R1.1 C1CCNC1 CS-0162629 [0,0,0,0,0,0|0,0,0]=0 12 B5R1.1 C1CNNC1 CS-0210819 [0,0,0,0,0,0|1,0,0]=1 13 B5R1.1 C1CNOC1 CS-0179756 [0,0,0,0,0,0|1,0,0]=1 14 B5R1.1 C1CSCN1 CS-0006687 [0,0,0,0,0,0|1,0,0]=1 15 B5R1.1 C1CSCN1 CS-M1684 [0,0,0,0,0,0|1,0,0]=1 16 B6R1.2 BrC1CCNC1 CS-W005728 [0,1,0,0,0,0|0,0,0]=1 17 B6R1.2 BrC1CCOC1 CS-W004035 [0,1,0,0,0,0|1,0,0]=2 18 B6R1.2 CC1CCNC1 CS-W021968 [0,1,0,0,0,0|0,0,0]=1 19 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [0,1,0,0,0,0|0,0,0]=1 20 B6R1.2 C[C@H]1CCNC1 CS-0040457 [0,1,0,0,0,0|0,0,0]=1 21 B6R1.2 FC1CCNC1 CS-W005668 [0,1,0,0,0,0|0,0,0]=1 22 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,1,0,0,0,0|0,0,0]=1 23 B6R1.2 IC1CCCC1 CS-0067150 [0,1,0,0,0,0|1,0,0]=2 24 B6R1.2 IC1CCOC1 CS-W004266 [0,1,0,0,0,0|1,0,0]=2 25 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [0,1,0,0,0,0|1,0,0]=2 26 B6R1.2 I[C@H]1CCOC1 CS-0053265 [0,1,0,0,0,0|1,0,0]=2 27 B6R1.2 N=C1CCCS1 CS-W016514 [0,1,0,0,0,0|1,0,1]=3 28 B6R1.2 NC1=NCCC1 CS-B0123 [0,1,0,0,0,0|0,0,2]=3 29 B6R1.2 NC1=NCCS1 CS-0074129 [0,1,0,0,0,0|1,0,2]=4 30 B6R1.2 NC1CC=CC1 CS-W022621 [0,1,0,0,0,0|1,0,1]=3 31 B6R1.2 NC1CCNC1 CS-W016190 [0,1,0,0,0,0|0,0,0]=1 32 B6R1.2 NC1CCOC1 CS-D1564 [0,1,0,0,0,0|1,0,0]=2 33 B6R1.2 NC1CCOC1 CS-W011353 [0,1,0,0,0,0|1,0,0]=2 34 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [0,1,0,0,0,0|0,0,0]=1 35 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,1,0,0,0,0|1,0,0]=2 36 B6R1.2 N[C@H]1CCNC1 CS-W013278 [0,1,0,0,0,0|0,0,0]=1 37 B6R1.2 N[C@H]1CCOC1 CS-W019697 [0,1,0,0,0,0|1,0,0]=2 38 B6R1.2 O=C1C=CCC1 CS-W011359 [0,1,0,0,0,0|1,0,2]=4 39 B6R1.2 O=C1CC=NN1 CS-W004408 [0,1,0,0,0,0|1,0,2]=4 40 B6R1.2 O=C1CCCN1 CS-0197058 [0,1,0,0,0,0|0,0,1]=2 41 B6R1.2 O=C1CCNC1 CS-W005267 [0,1,0,0,0,0|0,0,1]=2 42 B6R1.2 O=C1CCNN1 CS-W001151 [0,1,0,0,0,0|1,0,1]=3 43 B6R1.2 O=C1CCOC1 CS-D1574 [0,1,0,0,0,0|1,0,1]=3 44 B6R1.2 O=C1CCSC1 CS-W011310 [0,1,0,0,0,0|1,0,1]=3 45 B6R1.2 O=C1NCCN1 CS-0075560 [0,1,0,0,0,0|1,0,1]=3 46 B6R1.2 O=C1NCCO1 CS-W007548 [0,1,0,0,0,0|1,0,1]=3 47 B6R1.2 O=C1NCCS1 CS-W023026 [0,1,0,0,0,0|1,0,1]=3 48 B6R1.2 O=S1CCCC1 CS-0207394 [0,1,0,0,0,0|1,0,0]=2 49 B6R1.2 O=S1OCCO1 CS-W013675 [0,1,0,0,0,0|3,0,0]=4 50 B6R1.2 OC1C=CCC1 CS-0451001 [0,1,0,0,0,0|1,0,1]=3 51 B6R1.2 OC1CC=CC1 CS-W002682 [0,1,0,0,0,0|1,0,1]=3 52 B6R1.2 OC1CCNC1 CS-W002985 [0,1,0,0,0,0|0,0,0]=1 53 B6R1.2 OC1CCNC1 CS-W022946 [0,1,0,0,0,0|0,0,0]=1 54 B6R1.2 OC1CCOC1 CS-M0786 [0,1,0,0,0,0|1,0,0]=2 55 B6R1.2 OC1CCSC1 CS-0185375 [0,1,0,0,0,0|1,0,0]=2 56 B6R1.2 OC1CNOC1 CS-0271204 [0,1,0,0,0,0|1,0,0]=2 57 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,1,0,0,0,0|0,0,0]=1 58 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,1,0,0,0,0|0,0,0]=1 59 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,1,0,0,0,0|1,0,0]=2 60 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,1,0,0,0,0|0,0,0]=1 61 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,1,0,0,0,0|0,0,0]=1 62 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,1,0,0,0,0|1,0,0]=2 63 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,1,0,0,0,0|1,0,0]=2 64 B6R1.2 S=C1NCCO1 CS-0097403 [0,1,0,0,0,0|1,0,1]=3 65 B6R1.2 S=C1NCCS1 CS-0008464 [0,1,0,0,0,0|1,0,1]=3 66 B6R1.2 S=C1SCCS1 CS-0317149 [0,1,0,0,0,0|2,0,1]=4 67 B6R1.2 SC1=NCCC1 CS-W013703 [0,1,0,0,0,0|0,0,2]=3 68 B6R1.2 SC1=NCCN1 CS-W011309 [0,1,0,0,0,0|1,0,1]=3 69 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,1,0,0,0,0|0,0,0]=1 70 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,1,0,0,0,0|0,0,0]=1 71 B4R0.2 BrCCCI CS-0199040 [0,0,1,0,0,0|2,0,0]=3 72 B4R0.2 C#CCCBr CS-0147245 [0,0,1,0,0,0|1,0,2]=4 73 B4R0.2 C#CCCI CS-0088596 [0,0,1,0,0,0|1,0,2]=4 74 B4R0.2 C#CCCN CS-0059198 [0,0,1,0,0,0|0,0,2]=3 75 B4R0.2 C#CCCO CS-W001947 [0,0,1,0,0,0|1,0,2]=4 76 B4R0.2 C#CCNN CS-0934814 [0,0,1,0,0,0|1,0,2]=4 77 B4R0.2 C#CCON CS-B1211 [0,0,1,0,0,0|1,0,2]=4 78 B4R0.2 C=CCCI CS-0139149 [0,0,1,0,0,0|1,0,2]=4 79 B4R0.2 C=CCCN CS-0028781 [0,0,1,0,0,0|0,0,2]=3 80 B4R0.2 C=CCNN CS-0465740 [0,0,1,0,0,0|1,0,2]=4 81 B4R0.2 C=CCON CS-0010194 [0,0,1,0,0,0|1,0,2]=4 82 B4R0.2 CC#CCN CS-0307944 [0,0,1,0,0,0|0,0,2]=3 83 B4R0.2 CC#CCO CS-B1382 [0,0,1,0,0,0|1,0,2]=4 84 B4R0.2 CCCCN CS-0214149 [0,0,1,0,0,0|0,0,0]=1 85 B4R0.2 CCCNN CS-0152064 [0,0,1,0,0,0|1,0,0]=2 86 B4R0.2 CCNC=O CS-0187584 [0,0,1,0,0,0|1,0,1]=3 87 B4R0.2 CCNCC CS-0160324 [0,0,1,0,0,0|0,0,0]=1 88 B4R0.2 CCOC=N CS-0333913 [0,0,1,0,0,0|1,0,2]=4 89 B4R0.2 CNCC#N CS-W002073 [0,0,1,0,0,0|1,0,1]=3 90 B4R0.2 CNCCBr CS-0042068 [0,0,1,0,0,0|1,0,0]=2 91 B4R0.2 CNCCCl CS-W019383 [0,0,1,0,0,0|1,0,0]=2 92 B4R0.2 CNCCO CS-0542090 [0,0,1,0,0,0|1,0,0]=2 93 B4R0.2 CNCCO CS-W008875 [0,0,1,0,0,0|1,0,0]=2 94 B4R0.2 COCC#N CS-0128800 [0,0,1,0,0,0|1,0,2]=4 95 B4R0.2 COCCBr CS-0015336 [0,0,1,0,0,0|2,0,0]=3 96 B4R0.2 COCCI CS-0139205 [0,0,1,0,0,0|2,0,0]=3 97 B4R0.2 COCCO CS-0179325 [0,0,1,0,0,0|2,0,0]=3 98 B4R0.2 COCCO CS-0200432 [0,0,1,0,0,0|2,0,0]=3 99 B4R0.2 CSCCN CS-0063136 [0,0,1,0,0,0|1,0,0]=2 100 B4R0.2 CSCCO CS-0150086 [0,0,1,0,0,0|2,0,0]=3 101 B4R0.2 CSCSC CS-W013673 [0,0,1,0,0,0|2,0,0]=3 102 B4R0.2 ClCCCI CS-W018493 [0,0,1,0,0,0|2,0,0]=3 103 B4R0.2 FCCCI CS-0121313 [0,0,1,0,0,0|2,0,0]=3 104 B4R0.2 ICCCI CS-W012156 [0,0,1,0,0,0|2,0,0]=3 105 B4R0.2 N#CCCI CS-0243866 [0,0,1,0,0,0|1,0,2]=4 106 B4R0.2 N#CCCN CS-D1507 [0,0,1,0,0,0|1,0,1]=3 107 B4R0.2 N#CCCO CS-W001263 [0,0,1,0,0,0|1,0,2]=4 108 B4R0.2 NCCCBr CS-W008585 [0,0,1,0,0,0|1,0,0]=2 109 B4R0.2 NCCCCl CS-0015792 [0,0,1,0,0,0|1,0,0]=2 110 B4R0.2 NCCCN CS-0214047 [0,0,1,0,0,0|1,0,0]=2 111 B4R0.2 NCCCN CS-0214116 [0,0,1,0,0,0|1,0,0]=2 112 B4R0.2 NCCCO CS-W020089 [0,0,1,0,0,0|1,0,0]=2 113 B4R0.2 NCCON CS-M2746 [0,0,1,0,0,0|2,0,0]=3 114 B4R0.2 NOCCO CS-W011361 [0,0,1,0,0,0|2,0,0]=3 115 B4R0.2 OCCCBr CS-W007337 [0,0,1,0,0,0|2,0,0]=3 116 B4R0.2 OCCCF CS-0170820 [0,0,1,0,0,0|2,0,0]=3 117 B4R0.2 OCCCI CS-W015993 [0,0,1,0,0,0|2,0,0]=3 118 B4R0.2 OCCCO CS-W018490 [0,0,1,0,0,0|2,0,0]=3 119 B4R1.1 C1CNC1 CS-W011344 [0,0,0,0,1,0|0,0,0]=1 120 B6R1.1 C1=CCNCC1 CS-W021272 [0,0,0,0,0,1|0,0,1]=2 121 B6R1.1 C1CCNNC1 CS-0038680 [0,0,0,0,0,1|0,0,0]=1 122 B6R1.1 C1CCONC1 CS-W000777 [0,0,0,0,0,1|0,0,0]=1 123 B6R1.1 C1CNCCN1 CS-0214091 [0,0,0,0,0,1|0,0,0]=1 124 B6R1.1 C1CNCCN1 CS-0214115 [0,0,0,0,0,1|0,0,0]=1 125 B6R1.1 C1CSCCN1 CS-W007359 [0,0,0,0,0,1|0,0,0]=1 126 B6R1.1 C1CSCCO1 CS-0155184 [0,0,0,0,0,1|1,0,0]=2 127 B6R1.1 C1CSCCS1 CS-0698377 [0,0,0,0,0,1|1,0,0]=2 128 B6R1.1 C1CSCSC1 CS-W001189 [0,0,0,0,0,1|1,0,0]=2 129 B3R0.1 CCCN CS-0079898 [1,0,1,0,0,0|0,0,0]=2 130 B3R0.1 CCCN CS-0203559 [1,0,1,0,0,0|0,0,0]=2 131 B3R0.1 CCC[O-] CS-0636169 [1,0,1,0,0,0|1,0,0]=3 132 B3R0.1 CCNC CS-0158300 [1,0,1,0,0,0|0,0,0]=2 133 B3R0.1 CCNN CS-0151959 [1,0,1,0,0,0|1,0,0]=3 134 B3R0.1 CCNN CS-0160233 [1,0,1,0,0,0|1,0,0]=3 135 B3R0.1 CCNO CS-0370696 [1,0,1,0,0,0|1,0,0]=3 136 B3R0.1 CCON CS-0017502 [1,0,1,0,0,0|1,0,0]=3 137 B3R0.1 CCON CS-W011335 [1,0,1,0,0,0|1,0,0]=3 138 B3R0.1 CNNC CS-0530458 [1,0,1,0,0,0|1,0,0]=3 139 B3R0.1 CNOC CS-D1361 [1,0,1,0,0,0|1,0,0]=3 140 B3R0.1 C[Se][Se]C CS-0199215 [1,0,1,0,0,0|2,0,0]=4 141 B3R0.1 ICCI CS-0143351 [1,0,1,0,0,0|2,0,0]=4 142 B3R0.1 N#CCN CS-W013739 [1,0,1,0,0,0|1,0,1]=4 143 B3R0.1 NCCBr CS-W008659 [1,0,1,0,0,0|1,0,0]=3 144 B3R0.1 NCCCl CS-W013617 [1,0,1,0,0,0|1,0,0]=3 145 B3R0.1 NCCF CS-W007788 [1,0,1,0,0,0|1,0,0]=3 146 B3R0.1 NCCO CS-0088236 [1,0,1,0,0,0|1,0,0]=3 147 B3R0.1 NCCS CS-2800 [1,0,1,0,0,0|1,0,0]=3 148 B3R0.1 OCCI CS-W017637 [1,0,1,0,0,0|2,0,0]=4 149 B3R0.1 OCCO CS-0015059 [1,0,1,0,0,0|2,0,0]=4 150 B3R0.1 OCCO CS-0015844 [1,0,1,0,0,0|2,0,0]=4 151 B3R0.1 OCCO CS-0676146 [1,0,1,0,0,0|2,0,0]=4 152 B3R0.1 OCCO CS-0864542 [1,0,1,0,0,0|2,0,0]=4 153 B3R0.1 OCCO CS-0907650 [1,0,1,0,0,0|2,0,0]=4 154 B3R0.1 OCCO CS-0998158 [1,0,1,0,0,0|2,0,0]=4 155 B3R0.1 OCCO CS-1053456 [1,0,1,0,0,0|2,0,0]=4 156 B5R0.1 C=CC[C@H](C)O CS-0081915 [0,1,1,0,0,0|1,0,1]=4 157 B5R0.1 CC(=O)CCCl CS-W022162 [0,1,1,0,0,0|1,0,1]=4 158 B5R0.1 CC(=O)CCN CS-0209803 [0,1,1,0,0,0|0,0,1]=3 159 B5R0.1 CC(=O)NCO CS-0061075 [0,1,1,0,0,0|1,0,1]=4 160 B5R0.1 CC(C)=CCN CS-0236946 [0,1,1,0,0,0|0,0,2]=4 161 B5R0.1 CC(C)CNN CS-0067938 [0,1,1,0,0,0|1,0,0]=3 162 B5R0.1 CC(C)CON CS-0136014 [0,1,1,0,0,0|1,0,0]=3 163 B5R0.1 CC(N)CCO CS-W004841 [0,1,1,0,0,0|1,0,0]=3 164 B5R0.1 CC(O)CC#N CS-0261013 [0,1,1,0,0,0|0,0,2]=4 165 B5R0.1 CC(O)CCBr CS-0142519 [0,1,1,0,0,0|1,0,0]=3 166 B5R0.1 CC(O)CCO CS-0115644 [0,1,1,0,0,0|1,0,0]=3 167 B5R0.1 CCCB(O)O CS-W007470 [0,1,1,0,0,0|2,0,0]=4 168 B5R0.1 CCCC(=N)N CS-W013544 [0,1,1,0,0,0|0,0,1]=3 169 B5R0.1 CCCC(=O)O CS-0977378 [0,1,1,0,0,0|1,0,1]=4 170 B5R0.1 CCCC(N)=O CS-0130522 [0,1,1,0,0,0|0,0,1]=3 171 B5R0.1 CCC[C@@H](C)N CS-0162182 [0,1,1,0,0,0|0,0,0]=2 172 B5R0.1 CCC[C@H](C)N CS-W006528 [0,1,1,0,0,0|0,0,0]=2 173 B5R0.1 CCNC(N)=O CS-W011351 [0,1,1,0,0,0|1,0,1]=4 174 B5R0.1 CCNC(N)=S CS-0180914 [0,1,1,0,0,0|1,0,1]=4 175 B5R0.1 CCOC(=N)N CS-W019160 [0,1,1,0,0,0|1,0,1]=4 176 B5R0.1 CCOC(C)=N CS-W008601 [0,1,1,0,0,0|1,0,1]=4 177 B5R0.1 CCOC(N)=O CS-4731 [0,1,1,0,0,0|1,0,1]=4 178 B5R0.1 CCSC(=N)N CS-0021039 [0,1,1,0,0,0|1,0,1]=4 179 B5R0.1 CN(C)CCBr CS-W004693 [0,1,1,0,0,0|1,0,0]=3 180 B5R0.1 CNCC(=O)O CS-W013507 [0,1,1,0,0,0|1,0,1]=4 181 B5R0.1 CNCC(=O)O CS-W018511 [0,1,1,0,0,0|1,0,1]=4 182 B5R0.1 CNCC(C)O CS-0216704 [0,1,1,0,0,0|0,0,0]=2 183 B5R0.1 CNCC(N)=O CS-W011178 [0,1,1,0,0,0|1,0,1]=4 184 B5R0.1 COCC(=N)N CS-W003564 [0,1,1,0,0,0|1,0,1]=4 185 B5R0.1 COC[C@@H](C)N CS-W019198 [0,1,1,0,0,0|1,0,0]=3 186 B5R0.1 COC[C@H](C)N CS-0148795 [0,1,1,0,0,0|1,0,0]=3 187 B5R0.1 COC[C@H](C)O CS-0031378 [0,1,1,0,0,0|1,0,0]=3 188 B5R0.1 CSCC(N)=O CS-0150088 [0,1,1,0,0,0|1,0,1]=4 189 B5R0.1 CSCS(C)=O CS-0146450 [0,1,1,0,0,0|2,0,0]=4 190 B5R0.1 C[C@@H](N)CC#N CS-0127883 [0,1,1,0,0,0|0,0,2]=4 191 B5R0.1 C[C@@H](N)CCO CS-W013746 [0,1,1,0,0,0|1,0,0]=3 192 B5R0.1 C[C@@H](O)CCO CS-M1638 [0,1,1,0,0,0|1,0,0]=3 193 B5R0.1 C[C@H](N)CC#N CS-0127884 [0,1,1,0,0,0|0,0,2]=4 194 B5R0.1 C[C@H](N)CCO CS-W019851 [0,1,1,0,0,0|1,0,0]=3 195 B5R0.1 C[C@H](O)CCO CS-W016671 [0,1,1,0,0,0|1,0,0]=3 196 B5R0.1 N=C(O)CCN CS-W007497 [0,1,1,0,0,0|1,0,1]=4 197 B5R0.1 NC(=O)CCBr CS-0046169 [0,1,1,0,0,0|1,0,1]=4 198 B5R0.1 NC(=O)CCCl CS-0204808 [0,1,1,0,0,0|1,0,1]=4 199 B5R0.1 NC(=O)CCO CS-0205185 [0,1,1,0,0,0|1,0,1]=4 200 B5R0.1 NCCC(=O)O CS-0668359 [0,1,1,0,0,0|1,0,1]=4 201 B5R0.1 NCCC(=O)O CS-W020126 [0,1,1,0,0,0|1,0,1]=4 202 B5R0.1 NCCS(=O)O CS-6985 [0,1,1,0,0,0|2,0,0]=4 203 B5R0.1 OCCC(F)F CS-0185412 [0,1,1,0,0,0|2,0,0]=4 204 B5R0.2 BrCCCCBr CS-W020631 [0,1,1,0,0,0|1,0,0]=3 205 B5R0.2 C#CCCCBr CS-0147349 [0,1,1,0,0,0|1,0,1]=4 206 B5R0.2 C#CCCCCl CS-W009550 [0,1,1,0,0,0|1,0,1]=4 207 B5R0.2 C#CCCCI CS-0088561 [0,1,1,0,0,0|1,0,1]=4 208 B5R0.2 C#CCCCN CS-0038434 [0,1,1,0,0,0|0,0,1]=3 209 B5R0.2 C#CCCCO CS-W011358 [0,1,1,0,0,0|1,0,1]=4 210 B5R0.2 C=CCCCI CS-0135974 [0,1,1,0,0,0|1,0,1]=4 211 B5R0.2 C=CCCNC CS-0197692 [0,1,1,0,0,0|0,0,1]=3 212 B5R0.2 CCC#CCBr CS-0188171 [0,1,1,0,0,0|1,0,1]=4 213 B5R0.2 CCC#CCO CS-0143646 [0,1,1,0,0,0|1,0,1]=4 214 B5R0.2 CCCCON CS-0106180 [0,1,1,0,0,0|0,0,0]=2 215 B5R0.2 CCNCCO CS-0076051 [0,1,1,0,0,0|0,0,0]=2 216 B5R0.2 CCSCCN CS-0663845 [0,1,1,0,0,0|0,0,0]=2 217 B5R0.2 CNCCC#N CS-W011357 [0,1,1,0,0,0|0,0,1]=3 218 B5R0.2 CNCCCCl CS-0150991 [0,1,1,0,0,0|0,0,0]=2 219 B5R0.2 CNCCCO CS-W007469 [0,1,1,0,0,0|0,0,0]=2 220 B5R0.2 COCCC#N CS-0030563 [0,1,1,0,0,0|0,0,2]=4 221 B5R0.2 COCCCBr CS-W010945 [0,1,1,0,0,0|1,0,0]=3 222 B5R0.2 COCCNN CS-0249520 [0,1,1,0,0,0|1,0,0]=3 223 B5R0.2 CSCCCO CS-0015993 [0,1,1,0,0,0|1,0,0]=3 224 B5R0.2 C\C=C\CCO CS-0162245 [0,1,1,0,0,0|1,0,1]=4 225 B5R0.2 ClCCCCBr CS-W017647 [0,1,1,0,0,0|1,0,0]=3 226 B5R0.2 ClCCCCI CS-W019348 [0,1,1,0,0,0|1,0,0]=3 227 B5R0.2 FCCCCBr CS-W018025 [0,1,1,0,0,0|1,0,0]=3 228 B5R0.2 ICCCCI CS-W004871 [0,1,1,0,0,0|1,0,0]=3 229 B5R0.2 N#CCCCBr CS-W004123 [0,1,1,0,0,0|0,0,2]=4 230 B5R0.2 N#CCCCCl CS-D1161 [0,1,1,0,0,0|0,0,2]=4 231 B5R0.2 N#CCCNN CS-W001874 [0,1,1,0,0,0|1,0,1]=4 232 B5R0.2 NCC#CCN CS-0073026 [0,1,1,0,0,0|0,0,2]=4 233 B5R0.2 NCCCCBr CS-W005399 [0,1,1,0,0,0|0,0,0]=2 234 B5R0.2 NCCCCCl CS-0158355 [0,1,1,0,0,0|0,0,0]=2 235 B5R0.2 NCCCCO CS-W002041 [0,1,1,0,0,0|0,0,0]=2 236 B5R0.2 NC\C=C/CCl CS-M0797 [0,1,1,0,0,0|0,0,2]=4 237 B5R0.2 NC\C=C/CN CS-WAA0092 [0,1,1,0,0,0|0,0,2]=4 238 B5R0.2 NC\C=C\CN CS-0374306 [0,1,1,0,0,0|0,0,2]=4 239 B5R0.2 NOCCON CS-0070013 [0,1,1,0,0,0|2,0,0]=4 240 B5R0.2 OCCCCBr CS-W000344 [0,1,1,0,0,0|1,0,0]=3 241 B5R0.2 OCCCCCl CS-0022417 [0,1,1,0,0,0|1,0,0]=3 242 B5R0.2 OCCCCF CS-0116811 [0,1,1,0,0,0|1,0,0]=3 243 B5R0.2 OCCNCO CS-0203827 [0,1,1,0,0,0|1,0,0]=3 244 B5R0.2 [N-]=[N+]=NCCN CS-0644784 [0,1,1,0,0,0|2,0,0]=4 245 B5R0.3 CC(CBr)CBr CS-0154074 [0,1,1,0,0,0|2,0,0]=4 246 B5R0.3 CC(CCl)CBr CS-0204235 [0,1,1,0,0,0|2,0,0]=4 247 B5R0.3 CC(CN)CO CS-0447291 [0,1,1,0,0,0|1,0,0]=3 248 B5R0.3 CC(CO)CBr CS-0139638 [0,1,1,0,0,0|2,0,0]=4 249 B5R0.3 CC(CO)CO CS-0021060 [0,1,1,0,0,0|2,0,0]=4 250 B5R0.3 CCC(=N)NO CS-D0340 [0,1,1,0,0,0|1,0,1]=4 251 B5R0.3 CCC(=O)CBr CS-0131119 [0,1,1,0,0,0|1,0,1]=4 252 B5R0.3 CCC(=O)CN CS-W005374 [0,1,1,0,0,0|0,0,1]=3 253 B5R0.3 CCC(=O)CO CS-W005327 [0,1,1,0,0,0|1,0,1]=4 254 B5R0.3 CCC(=O)NC CS-0179730 [0,1,1,0,0,0|0,0,1]=3 255 B5R0.3 CCC(=O)NN CS-0206618 [0,1,1,0,0,0|1,0,1]=4 256 B5R0.3 CCC(Br)CC CS-0015742 [0,1,1,0,0,0|1,0,0]=3 257 B5R0.3 CCC(C)C#N CS-0648856 [0,1,1,0,0,0|0,0,2]=4 258 B5R0.3 CCC(C)C#N CS-0649016 [0,1,1,0,0,0|0,0,2]=4 259 B5R0.3 CCC(C)C#N CS-0649019 [0,1,1,0,0,0|0,0,2]=4 260 B5R0.3 CCC(N)C#N CS-0197521 [0,1,1,0,0,0|0,0,2]=4 261 B5R0.3 CCC(N)CC CS-0128806 [0,1,1,0,0,0|1,0,0]=3 262 B5R0.3 CCC(O)CC CS-0128838 [0,1,1,0,0,0|1,0,0]=3 263 B5R0.3 CCC(O)CN CS-0109319 [0,1,1,0,0,0|0,0,0]=2 264 B5R0.3 CCS(=O)CC CS-0199213 [0,1,1,0,0,0|1,0,0]=3 265 B5R0.3 CC[C@@H](C)CBr CS-0539690 [0,1,1,0,0,0|1,0,0]=3 266 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,1,1,0,0,0|1,0,0]=3 267 B5R0.3 CC[C@H](C)CO CS-0139702 [0,1,1,0,0,0|1,0,0]=3 268 B5R0.3 CC[C@H](N)CO CS-W013745 [0,1,1,0,0,0|1,0,0]=3 269 B5R0.3 CC[C@H](O)CO CS-0031373 [0,1,1,0,0,0|1,0,0]=3 270 B5R0.3 CNC(=O)CBr CS-0023001 [0,1,1,0,0,0|1,0,1]=4 271 B5R0.3 CNC(=O)CCl CS-W007769 [0,1,1,0,0,0|1,0,1]=4 272 B5R0.3 CNC(=O)CI CS-0244983 [0,1,1,0,0,0|1,0,1]=4 273 B5R0.3 CNC(=O)CN CS-0008246 [0,1,1,0,0,0|1,0,1]=4 274 B5R0.3 CNC(=O)CN CS-0130384 [0,1,1,0,0,0|1,0,1]=4 275 B5R0.3 CNC(=S)NC CS-0071975 [0,1,1,0,0,0|1,0,1]=4 276 B5R0.3 CNC(C)CO CS-0197105 [0,1,1,0,0,0|1,0,0]=3 277 B5R0.3 CN[C@@H](C)CO CS-0139480 [0,1,1,0,0,0|1,0,0]=3 278 B5R0.3 CN[C@@H](C)CO CS-0162089 [0,1,1,0,0,0|1,0,0]=3 279 B5R0.3 CN[C@H](C)CO CS-0162211 [0,1,1,0,0,0|1,0,0]=3 280 B5R0.3 COC(=O)CN CS-W018508 [0,1,1,0,0,0|1,0,1]=4 281 B5R0.3 CO[C@@H](C)CN CS-W021167 [0,1,1,0,0,0|1,0,0]=3 282 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,1,1,0,0,0|2,0,0]=4 283 B5R0.3 CO[C@H](C)CN CS-0148788 [0,1,1,0,0,0|1,0,0]=3 284 B5R0.3 CO[C@H](C)CN CS-0613352 [0,1,1,0,0,0|1,0,0]=3 285 B5R0.3 CO[C@H](C)CO CS-W011349 [0,1,1,0,0,0|2,0,0]=4 286 B5R0.3 C[C@@H](CO)CBr CS-0101486 [0,1,1,0,0,0|2,0,0]=4 287 B5R0.3 NC(CO)CO CS-W007357 [0,1,1,0,0,0|2,0,0]=4 288 B5R0.3 NC(CO)CO CS-W011141 [0,1,1,0,0,0|2,0,0]=4 289 B5R0.3 NCC(O)CCl CS-W006320 [0,1,1,0,0,0|1,0,0]=3 290 B5R0.3 NCC(O)CN CS-W007600 [0,1,1,0,0,0|1,0,0]=3 291 B5R0.3 NCC(O)CO CS-W002040 [0,1,1,0,0,0|1,0,0]=3 292 B5R0.3 NC[C@@H](F)CO CS-0053486 [0,1,1,0,0,0|1,0,0]=3 293 B5R0.3 NC[C@@H](O)CCl CS-0162224 [0,1,1,0,0,0|1,0,0]=3 294 B5R0.3 NC[C@@H](O)CO CS-W002683 [0,1,1,0,0,0|1,0,0]=3 295 B5R0.3 NC[C@H](F)CO CS-0053431 [0,1,1,0,0,0|1,0,0]=3 296 B5R0.3 NC[C@H](O)CCl CS-W021152 [0,1,1,0,0,0|1,0,0]=3 297 B5R0.3 OC(CBr)CBr CS-W014808 [0,1,1,0,0,0|2,0,0]=4 298 B5R0.3 OCC(Cl)CO CS-0640889 [0,1,1,0,0,0|2,0,0]=4 299 B5R0.3 OCC(O)CBr CS-W018026 [0,1,1,0,0,0|2,0,0]=4 300 B5R0.3 OCC(O)CO CS-6964 [0,1,1,0,0,0|2,0,0]=4 301 B5R0.3 OCC(O)CS CS-W011288 [0,1,1,0,0,0|2,0,0]=4 302 B5R0.3 OCC(S)CS CS-0013059 [0,1,1,0,0,0|2,0,0]=4 303 B5R0.3 OC[C@@H](O)CCl CS-W018500 [0,1,1,0,0,0|2,0,0]=4 304 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [0,1,1,0,0,0|1,0,0]=3 305 B5R0.3 [C@H](O)(CN)CO CS-W017771 [0,1,1,0,0,0|1,0,0]=3 306 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [0,1,1,0,0,0|2,0,0]=4 307 B5R1.2 BrC1CCC1 CS-0044363 [0,1,0,0,1,0|0,0,0]=2 308 B5R1.2 BrC1CNC1 CS-0051440 [0,1,0,0,1,0|0,0,0]=2 309 B5R1.2 BrC1COC1 CS-D1251 [0,1,0,0,1,0|1,0,0]=3 310 B5R1.2 CC1CCN1 CS-0051841 [0,1,0,0,1,0|0,0,0]=2 311 B5R1.2 CC1CNC1 CS-W019342 [0,1,0,0,1,0|0,0,0]=2 312 B5R1.2 C[C@@H]1CCN1 CS-0100346 [0,1,0,0,1,0|0,0,0]=2 313 B5R1.2 ClC1CNC1 CS-0051403 [0,1,0,0,1,0|0,0,0]=2 314 B5R1.2 FC1CNC1 CS-W001606 [0,1,0,0,1,0|0,0,0]=2 315 B5R1.2 IC1COC1 CS-W017022 [0,1,0,0,1,0|1,0,0]=3 316 B5R1.2 NC1CCC1 CS-0006655 [0,1,0,0,1,0|0,0,0]=2 317 B5R1.2 NC1CNC1 CS-W022573 [0,1,0,0,1,0|0,0,0]=2 318 B5R1.2 NC1COC1 CS-W018946 [0,1,0,0,1,0|1,0,0]=3 319 B5R1.2 NC1CSC1 CS-0045517 [0,1,0,0,1,0|1,0,0]=3 320 B5R1.2 O=C1CCN1 CS-W011364 [0,1,0,0,1,0|0,0,1]=3 321 B5R1.2 O=C1CNC1 CS-W019264 [0,1,0,0,1,0|0,0,1]=3 322 B5R1.2 O=C1COC1 CS-M1912 [0,1,0,0,1,0|1,0,1]=4 323 B5R1.2 O=C1CSC1 CS-B0978 [0,1,0,0,1,0|1,0,1]=4 324 B5R1.2 OC1CCC1 CS-W013758 [0,1,0,0,1,0|0,0,0]=2 325 B5R1.2 OC1CNC1 CS-0084651 [0,1,0,0,1,0|0,0,0]=2 326 B5R1.2 OC1CNC1 CS-D0673 [0,1,0,0,1,0|0,0,0]=2 327 B5R1.2 OC1COC1 CS-W007362 [0,1,0,0,1,0|1,0,0]=3 328 B5R1.2 OC1CSC1 CS-0045447 [0,1,0,0,1,0|1,0,0]=3 329 B7R1.3 BrC1=CCCCC1 CS-0155410 [0,1,0,0,0,1|1,0,0]=3 330 B7R1.3 BrC1=CCOCC1 CS-0069635 [0,1,0,0,0,1|1,0,1]=4 331 B7R1.3 BrC1C=CCCC1 CS-0173469 [0,1,0,0,0,1|1,0,0]=3 332 B7R1.3 BrC1CCCCC1 CS-W017925 [0,1,0,0,0,1|1,0,0]=3 333 B7R1.3 BrC1CCCOC1 CS-W019418 [0,1,0,0,0,1|1,0,0]=3 334 B7R1.3 BrC1CCNCC1 CS-W014130 [0,1,0,0,0,1|0,0,0]=2 335 B7R1.3 BrC1CCOCC1 CS-W003396 [0,1,0,0,0,1|1,0,0]=3 336 B7R1.3 C=C1CCNCC1 CS-D0508 [0,1,0,0,0,1|0,0,0]=2 337 B7R1.3 CC1=CCCNC1 CS-0050445 [0,1,0,0,0,1|0,0,1]=3 338 B7R1.3 CC1=CCNCC1 CS-W004399 [0,1,0,0,0,1|0,0,1]=3 339 B7R1.3 CC1=NCCCO1 CS-1006941 [0,1,0,0,0,1|0,0,2]=4 340 B7R1.3 CC1CCOCC1 CS-0233092 [0,1,0,0,0,1|1,0,0]=3 341 B7R1.3 CC1CCOCO1 CS-0181838 [0,1,0,0,0,1|1,0,0]=3 342 B7R1.3 CC1CNCCO1 CS-0152670 [0,1,0,0,0,1|0,0,0]=2 343 B7R1.3 CC1CNCCO1 CS-D1584 [0,1,0,0,0,1|0,0,0]=2 344 B7R1.3 CC1COCCN1 CS-W009058 [0,1,0,0,0,1|0,0,0]=2 345 B7R1.3 CC1SCCCS1 CS-0094743 [0,1,0,0,0,1|1,0,0]=3 346 B7R1.3 CN1CCNCC1 CS-W017563 [0,1,0,0,0,1|0,0,0]=2 347 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [0,1,0,0,0,1|0,0,0]=2 348 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,1,0,0,0,1|0,0,0]=2 349 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,0,0,1|0,0,0]=2 350 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [0,1,0,0,0,1|0,0,0]=2 351 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,1,0,0,0,1|0,0,0]=2 352 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,1,0,0,0,1|0,0,0]=2 353 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,1,0,0,0,1|0,0,0]=2 354 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [0,1,0,0,0,1|0,0,0]=2 355 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,0,0,1|0,0,0]=2 356 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,1,0,0,0,1|0,0,0]=2 357 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,1,0,0,0,1|0,0,0]=2 358 B7R1.3 ClC1CCCCC1 CS-0198086 [0,1,0,0,0,1|1,0,0]=3 359 B7R1.3 ClC1CCNCC1 CS-W006160 [0,1,0,0,0,1|0,0,0]=2 360 B7R1.3 ClC1CCOCC1 CS-W016579 [0,1,0,0,0,1|1,0,0]=3 361 B7R1.3 FC1CCCNC1 CS-W001632 [0,1,0,0,0,1|0,0,0]=2 362 B7R1.3 FC1CCNCC1 CS-0040905 [0,1,0,0,0,1|0,0,0]=2 363 B7R1.3 FC1CCNCC1 CS-0101735 [0,1,0,0,0,1|0,0,0]=2 364 B7R1.3 F[C@@H]1CCCNC1 CS-0053327 [0,1,0,0,0,1|0,0,0]=2 365 B7R1.3 IC1CCCCC1 CS-0148628 [0,1,0,0,0,1|1,0,0]=3 366 B7R1.3 IC1CCNCC1 CS-0145320 [0,1,0,0,0,1|0,0,0]=2 367 B7R1.3 IC1CCOCC1 CS-W004278 [0,1,0,0,0,1|1,0,0]=3 368 B7R1.3 NC1CC=CCC1 CS-0076943 [0,1,0,0,0,1|1,0,0]=3 369 B7R1.3 NC1CCCCC1 CS-W013335 [0,1,0,0,0,1|1,0,0]=3 370 B7R1.3 NC1CCCNC1 CS-W002078 [0,1,0,0,0,1|0,0,0]=2 371 B7R1.3 NC1CCCOC1 CS-0044162 [0,1,0,0,0,1|1,0,0]=3 372 B7R1.3 NC1CCCOC1 CS-0069616 [0,1,0,0,0,1|1,0,0]=3 373 B7R1.3 NC1CCOCC1 CS-B0654 [0,1,0,0,0,1|1,0,0]=3 374 B7R1.3 NC1CCOCC1 CS-W002372 [0,1,0,0,0,1|1,0,0]=3 375 B7R1.3 NC1CCSCC1 CS-0043960 [0,1,0,0,0,1|1,0,0]=3 376 B7R1.3 NC1CCSCC1 CS-W000397 [0,1,0,0,0,1|1,0,0]=3 377 B7R1.3 NN1CCCCC1 CS-W007639 [0,1,0,0,0,1|0,0,0]=2 378 B7R1.3 NN1CCOCC1 CS-W001074 [0,1,0,0,0,1|0,0,0]=2 379 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,1,0,0,0,1|0,0,0]=2 380 B7R1.3 N[C@@H]1CCCNC1 CS-W009139 [0,1,0,0,0,1|0,0,0]=2 381 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,1,0,0,0,1|1,0,0]=3 382 B7R1.3 O=C1C=CCCN1 CS-W006454 [0,1,0,0,0,1|0,0,2]=4 383 B7R1.3 O=C1CCCCN1 CS-W022933 [0,1,0,0,0,1|0,0,0]=2 384 B7R1.3 O=C1CCCCO1 CS-W013713 [0,1,0,0,0,1|1,0,0]=3 385 B7R1.3 O=C1CCCNC1 CS-0048756 [0,1,0,0,0,1|0,0,0]=2 386 B7R1.3 O=C1CCCNC1 CS-0185548 [0,1,0,0,0,1|0,0,0]=2 387 B7R1.3 O=C1CCCOC1 CS-D1576 [0,1,0,0,0,1|1,0,0]=3 388 B7R1.3 O=C1CCCSC1 CS-D0446 [0,1,0,0,0,1|1,0,0]=3 389 B7R1.3 O=C1CCOCC1 CS-D0601 [0,1,0,0,0,1|1,0,0]=3 390 B7R1.3 O=C1CCSCC1 CS-W002007 [0,1,0,0,0,1|1,0,0]=3 391 B7R1.3 O=C1CNCCN1 CS-B0039 [0,1,0,0,0,1|0,0,1]=3 392 B7R1.3 O=C1CNCCO1 CS-0098127 [0,1,0,0,0,1|0,0,1]=3 393 B7R1.3 O=C1COCCN1 CS-D1427 [0,1,0,0,0,1|0,0,1]=3 394 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,0,0,1|1,0,1]=4 395 B7R1.3 O=C1CSCCN1 CS-W019146 [0,1,0,0,0,1|0,0,1]=3 396 B7R1.3 O=C1NCCCO1 CS-0088044 [0,1,0,0,0,1|0,0,1]=3 397 B7R1.3 O=C1OCCCO1 CS-0155207 [0,1,0,0,0,1|1,0,1]=4 398 B7R1.3 O=S1CCNCC1 CS-0043941 [0,1,0,0,0,1|0,0,0]=2 399 B7R1.3 OC1C=CCCC1 CS-W011333 [0,1,0,0,0,1|1,0,0]=3 400 B7R1.3 OC1CC=CCC1 CS-0161778 [0,1,0,0,0,1|1,0,0]=3 401 B7R1.3 OC1CCCCC1 CS-0017198 [0,1,0,0,0,1|1,0,0]=3 402 B7R1.3 OC1CCCCO1 CS-0015921 [0,1,0,0,0,1|1,0,0]=3 403 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,0,0,1|0,0,0]=2 404 B7R1.3 OC1CCCNC1 CS-W013706 [0,1,0,0,0,1|0,0,0]=2 405 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,0,0,1|1,0,0]=3 406 B7R1.3 OC1CCNCC1 CS-W002165 [0,1,0,0,0,1|0,0,0]=2 407 B7R1.3 OC1CCNCC1 CS-W004328 [0,1,0,0,0,1|0,0,0]=2 408 B7R1.3 OC1CCOCC1 CS-W004264 [0,1,0,0,0,1|1,0,0]=3 409 B7R1.3 OC1CCSCC1 CS-D1275 [0,1,0,0,0,1|1,0,0]=3 410 B7R1.3 OC1CNCCO1 CS-W006148 [0,1,0,0,0,1|0,0,0]=2 411 B7R1.3 OC1COCOC1 CS-W016639 [0,1,0,0,0,1|1,0,0]=3 412 B7R1.3 ON1CCCCC1 CS-W016646 [0,1,0,0,0,1|0,0,0]=2 413 B7R1.3 O[C@@H]1CCCNC1 CS-0053770 [0,1,0,0,0,1|0,0,0]=2 414 B7R1.3 O[C@H]1CCCNC1 CS-0029964 [0,1,0,0,0,1|0,0,0]=2 415 B7R1.3 O[C@H]1CCCNC1 CS-W003070 [0,1,0,0,0,1|0,0,0]=2 416 B7R1.3 S=C1CCCCC1 CS-0661522 [0,1,0,0,0,1|1,0,0]=3 417 B7R1.3 S=C1NCCCN1 CS-0073474 [0,1,0,0,0,1|0,0,1]=3 418 B7R1.3 [C@@H]1(N)CCCOC1 CS-W006989 [0,1,0,0,0,1|1,0,0]=3 419 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,1,0,0,0,1|0,0,0]=2 420 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [0,1,0,0,0,1|0,0,0]=2 421 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,1,0,0,0,1|0,0,0]=2 422 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,0,0,1|0,0,0]=2 423 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,1,0,0,0,1|0,0,0]=2 424 B7R1.1 BrCC1CCCC1 CS-W004985 [0,2,0,0,0,0|1,0,0]=3 425 B7R1.1 BrCC1CCOC1 CS-W004268 [0,2,0,0,0,0|1,0,0]=3 426 B7R1.1 BrCC1OCCO1 CS-W021428 [0,2,0,0,0,0|2,0,0]=4 427 B7R1.1 C#CC1CCOC1 CS-0170800 [0,2,0,0,0,0|1,0,0]=3 428 B7R1.1 CCC1CCCN1 CS-0454761 [0,2,0,0,0,0|0,0,0]=2 429 B7R1.1 CC[C@H]1CCCN1 CS-0197308 [0,2,0,0,0,0|0,0,0]=2 430 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [0,2,0,0,0,0|1,0,0]=3 431 B7R1.1 COC1=NCCC1 CS-W022401 [0,2,0,0,0,0|0,0,2]=4 432 B7R1.1 COC1CCNC1 CS-0039937 [0,2,0,0,0,0|0,0,0]=2 433 B7R1.1 COC1CCNC1 CS-W004880 [0,2,0,0,0,0|0,0,0]=2 434 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [0,2,0,0,0,0|0,0,0]=2 435 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,2,0,0,0,0|0,0,0]=2 436 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,2,0,0,0,0|0,0,0]=2 437 B7R1.1 CSC1=NCCN1 CS-W010263 [0,2,0,0,0,0|1,0,1]=4 438 B7R1.1 ClCC1=NCCN1 CS-W021432 [0,2,0,0,0,0|1,0,1]=4 439 B7R1.1 ClCC1OCCO1 CS-0137170 [0,2,0,0,0,0|2,0,0]=4 440 B7R1.1 Cl[Au][SH]1CCCC1 CS-0111128 [0,2,0,0,0,0|1,0,0]=3 441 B7R1.1 FC[C@@H]1CCCN1 CS-0053450 [0,2,0,0,0,0|0,0,0]=2 442 B7R1.1 ICC1CCCC1 CS-0309298 [0,2,0,0,0,0|1,0,0]=3 443 B7R1.1 ICC1CCOC1 CS-W004269 [0,2,0,0,0,0|1,0,0]=3 444 B7R1.1 N#CC1CCCC1 CS-0072286 [0,2,0,0,0,0|1,0,0]=3 445 B7R1.1 N#CC1CCOC1 CS-W004270 [0,2,0,0,0,0|1,0,0]=3 446 B7R1.1 N#CC1ccCC1 CS-0378542 [0,2,0,0,0,0|1,0,1]=4 447 B7R1.1 N#CN1CCCC1 CS-0155293 [0,2,0,0,0,0|0,0,0]=2 448 B7R1.1 N#C[C@@H]1CCCN1 CS-W002962 [0,2,0,0,0,0|0,0,0]=2 449 B7R1.1 N#C[C@@H]1CCNC1 CS-0053310 [0,2,0,0,0,0|0,0,0]=2 450 B7R1.1 N#C[C@H]1CCCN1 CS-0102312 [0,2,0,0,0,0|0,0,0]=2 451 B7R1.1 N#C[C@H]1CCNC1 CS-0053245 [0,2,0,0,0,0|0,0,0]=2 452 B7R1.1 NCC1CCCC1 CS-D0472 [0,2,0,0,0,0|1,0,0]=3 453 B7R1.1 NCC1CCCN1 CS-0019253 [0,2,0,0,0,0|0,0,0]=2 454 B7R1.1 NCC1CCOC1 CS-W004787 [0,2,0,0,0,0|1,0,0]=3 455 B7R1.1 NC[C@@H]1CCCO1 CS-0438150 [0,2,0,0,0,0|1,0,0]=3 456 B7R1.1 NC[C@@H]1CCCO1 CS-W011316 [0,2,0,0,0,0|1,0,0]=3 457 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,2,0,0,0,0|1,0,0]=3 458 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [0,2,0,0,0,0|1,0,0]=3 459 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,2,0,0,0,0|1,0,0]=3 460 B7R1.1 NNC1=NCCN1 CS-0130609 [0,2,0,0,0,0|1,0,1]=4 461 B7R1.1 NNC1CCCC1 CS-D0525 [0,2,0,0,0,0|1,0,0]=3 462 B7R1.1 O=CC1CCOC1 CS-W004272 [0,2,0,0,0,0|1,0,0]=3 463 B7R1.1 O=CN1CCCC1 CS-0155290 [0,2,0,0,0,0|0,0,0]=2 464 B7R1.1 O=NN1CCCC1 CS-0199565 [0,2,0,0,0,0|0,0,0]=2 465 B7R1.1 OCC1CC=CC1 CS-W003141 [0,2,0,0,0,0|1,0,1]=4 466 B7R1.1 OCC1CCCC1 CS-W001923 [0,2,0,0,0,0|1,0,0]=3 467 B7R1.1 OCC1CCCN1 CS-W007622 [0,2,0,0,0,0|0,0,0]=2 468 B7R1.1 OCC1CCNC1 CS-W019882 [0,2,0,0,0,0|0,0,0]=2 469 B7R1.1 OCC1CCOC1 CS-D1159 [0,2,0,0,0,0|1,0,0]=3 470 B7R1.1 OCC1OCCO1 CS-W019186 [0,2,0,0,0,0|2,0,0]=4 471 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,2,0,0,0,0|0,0,0]=2 472 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,2,0,0,0,0|1,0,0]=3 473 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,2,0,0,0,0|0,0,0]=2 474 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,2,0,0,0,0|0,0,0]=2 475 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,2,0,0,0,0|0,0,0]=2 476 B7R1.1 ON=C1CCCC1 CS-W013717 [0,2,0,0,0,0|1,0,0]=3 477 B7R1.1 [C@@H]1(CN)CCCN1 CS-0043760 [0,2,0,0,0,0|0,0,0]=2 478 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,2,0,0,0,0|1,0,0]=3 479 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,2,0,0,0,0|1,0,0]=3 480 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,2,0,0,0,0|1,0,1]=4 481 B7R1.2 CC1CNC(=O)C1 CS-0040667 [0,2,0,0,0,0|0,0,1]=3 482 B7R1.2 CC1COC(=O)N1 CS-0181060 [0,2,0,0,0,0|1,0,1]=4 483 B7R1.2 CN1CCC(=O)C1 CS-0172438 [0,2,0,0,0,0|0,0,1]=3 484 B7R1.2 CN1CCC(N)C1 CS-0151106 [0,2,0,0,0,0|0,0,0]=2 485 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,2,0,0,0,0|0,0,0]=2 486 B7R1.2 CN1CC[C@@H](N)C1 CS-0053339 [0,2,0,0,0,0|0,0,0]=2 487 B7R1.2 CN1CC[C@@H](N)C1 CS-0183704 [0,2,0,0,0,0|0,0,0]=2 488 B7R1.2 CN1CC[C@H](N)C1 CS-0053279 [0,2,0,0,0,0|0,0,0]=2 489 B7R1.2 CN1CC[C@H](O)C1 CS-W003109 [0,2,0,0,0,0|0,0,0]=2 490 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,2,0,0,0,0|0,0,1]=3 491 B7R1.2 C[C@@H]1CC[C@@H](C)N1 CS-0111299 [0,2,0,0,0,0|0,0,0]=2 492 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,2,0,0,0,0|1,0,1]=4 493 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [0,2,0,0,0,0|1,0,1]=4 494 B7R1.2 C[C@@H]1CSC(=S)N1 CS-0634153 [0,2,0,0,0,0|1,0,1]=4 495 B7R1.2 C[C@@H]1C[C@H](O)CN1 CS-0053223 [0,2,0,0,0,0|0,0,0]=2 496 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [0,2,0,0,0,0|0,0,1]=3 497 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,2,0,0,0,0|0,0,1]=3 498 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,2,0,0,0,0|0,0,1]=3 499 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,2,0,0,0,0|1,0,1]=4 500 B7R1.2 C[C@H]1CSC(=S)N1 CS-0643969 [0,2,0,0,0,0|1,0,1]=4 501 B7R1.2 C[C@H]1C[C@@H](O)CN1 CS-0053292 [0,2,0,0,0,0|0,0,0]=2 502 B7R1.2 NC1CCC(N)C1 CS-0310049 [0,2,0,0,0,0|1,0,0]=3 503 B7R1.2 NC1CCC(O)C1 CS-0083804 [0,2,0,0,0,0|1,0,0]=3 504 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,2,0,0,0,0|1,0,0]=3 505 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,2,0,0,0,0|0,0,1]=3 506 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-0053617 [0,2,0,0,0,0|1,0,0]=3 507 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-W018626 [0,2,0,0,0,0|1,0,0]=3 508 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0044036 [0,2,0,0,0,0|1,0,0]=3 509 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,2,0,0,0,0|1,0,0]=3 510 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [0,2,0,0,0,0|0,0,1]=3 511 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,2,0,0,0,0|1,0,1]=4 512 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0062467 [0,2,0,0,0,0|1,0,0]=3 513 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-B1526 [0,2,0,0,0,0|1,0,0]=3 514 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0053559 [0,2,0,0,0,0|1,0,0]=3 515 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0131617 [0,2,0,0,0,0|1,0,0]=3 516 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,2,0,0,0,0|1,0,1]=4 517 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,2,0,0,0,0|0,0,1]=3 518 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,2,0,0,0,0|1,0,1]=4 519 B7R1.2 O=C1CCC(=O)N1 CS-0019112 [0,2,0,0,0,0|0,0,2]=4 520 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,2,0,0,0,0|1,0,0]=3 521 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,2,0,0,0,0|0,0,2]=4 522 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,2,0,0,0,0|0,0,1]=3 523 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,2,0,0,0,0|0,0,1]=3 524 B7R1.2 OC1CCC(O)C1 CS-0049625 [0,2,0,0,0,0|1,0,0]=3 525 B7R1.2 O[C@@H]1C=C[C@H](O)C1 CS-0056064 [0,2,0,0,0,0|1,0,1]=4 526 B7R1.2 O[C@@H]1CC[C@@H](O)C1 CS-0056775 [0,2,0,0,0,0|1,0,0]=3 527 B7R1.2 [C@@H]1(N)CC[C@@H](N)C1 CS-W007211 [0,2,0,0,0,0|1,0,0]=3 528 B7R1.2 [C@@H]1(O)CCN(C)C1 CS-W013705 [0,2,0,0,0,0|0,0,0]=2 529 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,2,0,0,0,0|1,0,1]=4 530 B7R1.4 BrC1=C(Br)CCC1 CS-W013034 [0,2,0,0,0,0|1,0,1]=4 531 B7R1.4 CC1CCNC1=O CS-W004958 [0,2,0,0,0,0|0,0,1]=3 532 B7R1.4 CC1CCOC1=O CS-0152675 [0,2,0,0,0,0|1,0,1]=4 533 B7R1.4 CC1OCCC1=O CS-W011324 [0,2,0,0,0,0|1,0,1]=4 534 B7R1.4 CC1OCCC1S CS-W013594 [0,2,0,0,0,0|1,0,0]=3 535 B7R1.4 CC1SCCC1=O CS-W011228 [0,2,0,0,0,0|1,0,1]=4 536 B7R1.4 CN1CCCC1=O CS-0017258 [0,2,0,0,0,0|0,0,1]=3 537 B7R1.4 CN1CCCC1=S CS-W013619 [0,2,0,0,0,0|0,0,1]=3 538 B7R1.4 CN1CCN=C1N CS-0158097 [0,2,0,0,0,0|1,0,1]=4 539 B7R1.4 CN1CCNC1=O CS-W005507 [0,2,0,0,0,0|1,0,1]=4 540 B7R1.4 CN1CCNC1=S CS-0214960 [0,2,0,0,0,0|1,0,1]=4 541 B7R1.4 CN1CCOC1=O CS-W016647 [0,2,0,0,0,0|1,0,1]=4 542 B7R1.4 C[C@H]1CNC[C@@H]1O CS-0035605 [0,2,0,0,0,0|0,0,0]=2 543 B7R1.4 F[C@H]1CNC[C@H]1F CS-0012663 [0,2,0,0,0,0|0,0,0]=2 544 B7R1.4 NC1CCNC1=O CS-0113495 [0,2,0,0,0,0|0,0,1]=3 545 B7R1.4 NC1CCOC1=O CS-0051531 [0,2,0,0,0,0|1,0,1]=4 546 B7R1.4 NC1CCSC1=O CS-0021300 [0,2,0,0,0,0|1,0,1]=4 547 B7R1.4 NC1CONC1=O CS-W008440 [0,2,0,0,0,0|1,0,1]=4 548 B7R1.4 NN1CCCC1=O CS-D0019 [0,2,0,0,0,0|0,0,1]=3 549 B7R1.4 NN1CCOC1=O CS-W013698 [0,2,0,0,0,0|1,0,1]=4 550 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-W003557 [0,2,0,0,0,0|1,0,0]=3 551 B7R1.4 N[C@@H]1CCC[C@H]1O CS-0130454 [0,2,0,0,0,0|1,0,0]=3 552 B7R1.4 N[C@@H]1CCC[C@H]1O CS-W008557 [0,2,0,0,0,0|1,0,0]=3 553 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [0,2,0,0,0,0|0,0,1]=3 554 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [0,2,0,0,0,0|1,0,1]=4 555 B7R1.4 N[C@@H]1CCSC1=O CS-0375845 [0,2,0,0,0,0|1,0,1]=4 556 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,2,0,0,0,0|0,0,0]=2 557 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [0,2,0,0,0,0|1,0,0]=3 558 B7R1.4 N[C@@H]1CONC1=O CS-2395 [0,2,0,0,0,0|1,0,1]=4 559 B7R1.4 N[C@H]1CCC[C@@H]1O CS-W004139 [0,2,0,0,0,0|1,0,0]=3 560 B7R1.4 N[C@H]1CCC[C@H]1N CS-0049664 [0,2,0,0,0,0|1,0,0]=3 561 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,2,0,0,0,0|1,0,0]=3 562 B7R1.4 N[C@H]1CCNC1=O CS-W021173 [0,2,0,0,0,0|0,0,1]=3 563 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,2,0,0,0,0|1,0,1]=4 564 B7R1.4 N[C@H]1CCSC1=O CS-6394 [0,2,0,0,0,0|1,0,1]=4 565 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,2,0,0,0,0|1,0,0]=3 566 B7R1.4 N[C@H]1COC[C@@H]1O CS-0047593 [0,2,0,0,0,0|1,0,0]=3 567 B7R1.4 N[C@H]1CONC1=O CS-4717 [0,2,0,0,0,0|1,0,1]=4 568 B7R1.4 O=C1NCCC1O CS-W005201 [0,2,0,0,0,0|0,0,1]=3 569 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [0,2,0,0,0,0|0,0,1]=3 570 B7R1.4 O=C1NCC[C@H]1F CS-0500742 [0,2,0,0,0,0|0,0,1]=3 571 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,2,0,0,0,0|0,0,1]=3 572 B7R1.4 O=C1OCCC1Br CS-W001104 [0,2,0,0,0,0|1,0,1]=4 573 B7R1.4 O=C1OCCC1O CS-W013699 [0,2,0,0,0,0|1,0,1]=4 574 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,2,0,0,0,0|1,0,1]=4 575 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,2,0,0,0,0|1,0,0]=3 576 B7R1.4 O[C@@H]1CNC[C@@H]1F CS-0047354 [0,2,0,0,0,0|0,0,0]=2 577 B7R1.4 O[C@@H]1CNC[C@H]1F CS-0054190 [0,2,0,0,0,0|0,0,0]=2 578 B7R1.4 O[C@@H]1CNC[C@H]1O CS-0053303 [0,2,0,0,0,0|0,0,0]=2 579 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0042168 [0,2,0,0,0,0|0,0,0]=2 580 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0058680 [0,2,0,0,0,0|0,0,0]=2 581 B7R1.4 O[C@H]1CNC[C@H]1O CS-W022618 [0,2,0,0,0,0|0,0,0]=2 582 B7R1.4 O[C@H]1COC[C@H]1O CS-0049648 [0,2,0,0,0,0|1,0,0]=3 583 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,2,0,0,0,0|1,0,1]=4 584 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,2,0,0,0,0|1,0,1]=4 585 B7R1.4 [C@H]1(O)CNC[C@@H]1O CS-W005107 [0,2,0,0,0,0|0,0,0]=2 586 B7R1.14 CC1(C)CCCN1 CS-W021476 [0,2,0,0,0,0|0,0,0]=2 587 B7R1.14 CC1(C)CCNC1 CS-0051614 [0,2,0,0,0,0|0,0,0]=2 588 B7R1.14 CC1(C)COCN1 CS-0072063 [0,2,0,0,0,0|1,0,0]=3 589 B7R1.14 CC1(F)CCNC1 CS-0051362 [0,2,0,0,0,0|0,0,0]=2 590 B7R1.14 CC1(N)CCCC1 CS-0119714 [0,2,0,0,0,0|1,0,0]=3 591 B7R1.14 CC1(N)CCOC1 CS-0184318 [0,2,0,0,0,0|1,0,0]=3 592 B7R1.14 CC1(O)CCNC1 CS-W001685 [0,2,0,0,0,0|0,0,0]=2 593 B7R1.14 CC1(O)CCNC1 CS-W021967 [0,2,0,0,0,0|0,0,0]=2 594 B7R1.14 C[C@@]1(O)CCNC1 CS-0053323 [0,2,0,0,0,0|0,0,0]=2 595 B7R1.14 C[C@@]1(O)CCNC1 CS-0183805 [0,2,0,0,0,0|0,0,0]=2 596 B7R1.14 C[C@]1(O)CCNC1 CS-0053259 [0,2,0,0,0,0|0,0,0]=2 597 B7R1.14 FC1(F)CCNC1 CS-0183400 [0,2,0,0,0,0|0,0,0]=2 598 B7R1.14 FC1(F)CCNC1 CS-W001466 [0,2,0,0,0,0|0,0,0]=2 599 B7R1.14 O=S1(=O)CCCN1 CS-W001194 [0,2,0,0,0,0|1,0,0]=3 600 B7R1.14 O=S1(=O)CCCO1 CS-W011195 [0,2,0,0,0,0|2,0,0]=4 601 B7R1.14 O=S1(=O)NCCN1 CS-W005346 [0,2,0,0,0,0|2,0,0]=4 602 B5R1.3 BrCC1CC1 CS-W020194 [0,0,1,1,0,0|1,0,0]=3 603 B5R1.3 CNC1CC1 CS-W019814 [0,0,1,1,0,0|0,0,0]=2 604 B5R1.3 ClCC1CS1 CS-0232950 [0,0,1,1,0,0|2,0,0]=4 605 B5R1.3 ICC1CC1 CS-0056033 [0,0,1,1,0,0|1,0,0]=3 606 B5R1.3 NCC1CC1 CS-0132848 [0,0,1,1,0,0|0,0,0]=2 607 B5R1.3 NNC1CC1 CS-B1049 [0,0,1,1,0,0|1,0,0]=3 608 B5R1.3 NNC1CC1 CS-W000619 [0,0,1,1,0,0|1,0,0]=3 609 B5R1.3 OCC1CO1 CS-0016001 [0,0,1,1,0,0|2,0,0]=4 610 B5R1.4 N[C@@H]1C[C@@H]1F CS-0101187 [0,0,1,1,0,0|1,0,0]=3 611 B5R1.4 N[C@@H]1C[C@H]1F CS-0143339 [0,0,1,1,0,0|1,0,0]=3 612 B5R1.4 N[C@H]1C[C@H]1F CS-0143340 [0,0,1,1,0,0|1,0,0]=3 613 B7R2.13 C1=CC2OC2C1 CS-0670603 [0,0,0,1,0,1|1,0,1]=4 614 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,1,0,1|0,0,0]=2 615 B7R2.13 C1OCC2OC12 CS-W016680 [0,0,0,1,0,1|1,0,0]=3 616 B7R2.11 C1CN2CN1C2 CS-0096563 [0,1,0,1,0,0|1,0,0]=3 617 B7R1.24 C1CNCCNC1 CS-W007768 [0,0,0,0,0,2|0,0,0]=2 618 B7R1.24 C1CNCCOC1 CS-0171615 [0,0,0,0,0,2|0,0,0]=2 619 B7R1.24 C1CNCCOC1 CS-B1101 [0,0,0,0,0,2|0,0,0]=2