0 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.2 NC(=O)CC(N)=O CS11565 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.2 NC(=O)C[N+](=O)[O-] MC442348 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.2 NC(=O)NC(N)=O CS11485 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.2 O=C(O)CC(=O)O MC41922 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.2 O=C(O)CC(=O)O MC41938 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CC(=O)\C=N\O CS11520 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CC(=O)\C=N\O CS18968 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(C)CC=O CS11530 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CCOC(=N)N CS11818 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CN(C)CC=O CS17734 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.2 CC(C)OC(=O)CO CS11522 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,1,0,0,0,0|0,0,0]=1 34 B7R0.2 COC(=O)CC(=O)O CS13436 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.2 COC(=O)CC(C)O CS11584 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.2 COC(=O)C[N+](=O)[O-] MC41932 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.2 C\C(C=O)=C/N(C)C CS22267 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.9 CC(C)(C)OC(N)=O CS11993 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.9 CC(C)OS(C)(=O)=O MC445527 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.16 NC(=O)C(N)C(N)=O CS14640 [0,1,0,0,0,0|3,0,0]=4 44 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,0,0,1,0,0|1,0,1]=3 46 B7R1.2 CC1=CC(=O)NN1 CS22601 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.2 CC1=CC(C)=NN1 CS19982 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.2 CC1=CC=C(C)N1 CS21153 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.2 CC1=CN=C(C)S1 CS22782 [0,0,0,1,0,0|2,1,0]=4 51 B7R1.2 CC1=CNC(C)=N1 CS21117 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.2 CC1=CSC(C)=N1 CS22781 [0,0,0,1,0,0|2,1,0]=4 53 B7R1.2 CC1=NN=C(C)O1 CS15161 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.2 CC1=NNC(=O)S1 MC107311 [0,0,0,1,0,0|2,1,0]=4 57 B7R1.2 CC1=NNC(C)=N1 MC444208 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.2 NC1=NCC(=O)N1 MC102809 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.2 O=C1C=C(Br)CN1 MC431199 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.2 O=C1C=C(Br)CN1 MC431360 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,0,0,1,0,0|1,0,0]=2 65 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.2 O=C1CNC(=S)N1 MC427395 [0,0,0,1,0,0|2,1,0]=4 68 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.2 O=C1NOC(=O)N1 MC115169 [0,0,0,1,0,0|3,0,0]=4 70 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,0,0,1,0|1,0,0]=2 71 B5R0.5 CC(Br)C(=O)O MC20444 [0,0,0,0,1,0|2,0,1]=4 72 B5R0.5 CC(C)C(=O)Cl MC40490 [0,0,0,0,1,0|2,0,1]=4 73 B5R0.5 CC(C)C(N)=O CS21696 [0,0,0,0,1,0|2,0,1]=4 74 B5R0.5 CC(Cl)C(=O)O MC20315 [0,0,0,0,1,0|2,0,1]=4 75 B5R0.5 CC(Cl)C(=O)O MC436860 [0,0,0,0,1,0|2,0,1]=4 76 B5R0.5 CC(F)C(=O)O MC429445 [0,0,0,0,1,0|2,0,1]=4 77 B5R0.5 CC(N)C(=O)O CS18992 [0,0,0,0,1,0|2,0,1]=4 78 B5R0.5 CC(N)C(=O)O CS19143 [0,0,0,0,1,0|2,0,1]=4 79 B5R0.5 CC(N)C(=O)O MC428047 [0,0,0,0,1,0|2,0,1]=4 80 B5R0.5 CC(N)C(N)=O CS15732 [0,0,0,0,1,0|2,0,1]=4 81 B5R0.5 CC(N)C(N)=O CS22529 [0,0,0,0,1,0|2,0,1]=4 82 B5R0.5 CC(N)C(N)=O MC436152 [0,0,0,0,1,0|2,0,1]=4 83 B5R0.5 CC(N)C(N)=O MC436153 [0,0,0,0,1,0|2,0,1]=4 84 B5R0.5 CC(O)C(=O)O MC437817 [0,0,0,0,1,0|1,0,2]=4 85 B5R0.5 CN(C)C(=O)Cl MC428263 [0,0,0,0,1,0|3,0,0]=4 86 B5R0.5 NC(=O)C(N)=O MC20822 [0,0,0,0,1,0|2,0,0]=3 87 B5R0.5 O=C(O)C(=O)O CS11387 [0,0,0,0,1,0|2,0,0]=3 88 B5R0.5 O=C(O)C(=O)O MC425345 [0,0,0,0,1,0|2,0,0]=3 89 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [0,0,0,0,1,0|2,0,0]=3 90 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,0,1|3,0,0]=4 91 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,1|2,0,0]=3 92 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,1|2,0,0]=3 93 B7R0.6 O=C(O)C#CC(=O)O MC20681 [0,0,0,0,0,1|3,0,0]=4 94 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [0,0,0,0,0,1|3,0,0]=4 95 B4R0.1 C=CC(N)=O MC41857 [2,0,0,0,0,0|1,0,1]=4 96 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|1,0,1]=4 97 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,1]=4 98 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|0,0,2]=4 99 B4R0.1 CC(=O)NN CS10881 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 CC(=O)NO CS14961 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|1,0,0]=3 104 B4R0.1 COC(N)=[NH2+] CS11820 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 C\C=C(/C)Br MC10255 [2,0,0,0,0,0|1,0,0]=3 106 B4R0.2 C=COCC MC41915 [2,0,0,0,0,0|0,0,2]=4 107 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|1,0,1]=4 108 B4R0.2 CCOC=N MC33024 [2,0,0,0,0,0|1,0,1]=4 109 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|0,0,1]=3 110 B4R0.2 CCOCC MC41960 [2,0,0,0,0,0|0,0,2]=4 111 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.1 C#CC(=O)OCC MC434052 [1,1,0,0,0,0|0,0,2]=4 113 B6R0.1 CCNC(=O)NC MC428152 [1,1,0,0,0,0|1,0,1]=4 114 B6R0.1 CCOC(=O)CBr MC41907 [1,1,0,0,0,0|0,0,1]=3 115 B6R0.1 CCOC(=O)CCl MC41910 [1,1,0,0,0,0|0,0,1]=3 116 B6R0.1 CCOC(=O)CN CS15347 [1,1,0,0,0,0|0,0,1]=3 117 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|0,0,1]=3 118 B6R0.1 CCOC(=O)NN CS11383 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.1 CNCC(=O)OC MC438154 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.1 COC(=O)\C=C\I MC20613 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.1 C\C=C\C(=O)OC MC41953 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.3 CON(C)C(C)=O CS11789 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.4 CC(=O)CCCBr CS10305 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.4 CC(=O)CCCCl CS10334 [1,1,0,0,0,0|1,0,1]=4 125 B6R0.4 CC(=O)NCCCl MC33011 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.4 CO\C=C\C(C)=O MC33352 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.5 CCOS(C)(=O)=O MC445528 [1,1,0,0,0,0|1,0,1]=4 128 B6R0.7 CC(=O)C(C)(C)C MC41940 [0,1,0,0,1,0|1,0,1]=4 129 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,0,0,0,1|1,0,0]=3 130 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,1,0,0,0,1|2,0,0]=4 131 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,1,0,0,0,1|2,0,0]=4 132 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,1,0,0,0,1|2,0,0]=4 133 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [0,1,0,0,0,1|2,0,0]=4 134 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,1,0,0,0,1|2,0,0]=4 135 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,1,0,0,0,1|2,0,0]=4 136 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,1,0,0,0,1|2,0,0]=4 137 B8R0.23 CC(=O)NC(C)C(N)=O MC436017 [0,1,0,0,0,1|2,0,0]=4 138 B8R0.5 CC(C)OC(=O)OCCl CS19003 [0,2,0,0,0,0|1,0,1]=4 139 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [0,2,0,0,0,0|2,0,0]=4 141 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,2,0,0,0,0|1,0,0]=3 142 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,2,0,0,0,0|2,0,0]=4 143 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [0,2,0,0,0,0|1,0,1]=4 144 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,2,0,0,0,0|2,0,0]=4 145 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,2,0,0,0,0|1,0,0]=3 146 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,2,0,0,0,0|1,0,0]=3 147 B8R0.19 COC(=O)CC(=O)CCl MC20592 [0,2,0,0,0,0|1,0,0]=3 148 B8R0.19 O=C(CF)OC(=O)CF MC107082 [0,2,0,0,0,0|0,0,0]=2 149 B8R0.24 CC(C)(C)OC(=O)CN CS15473 [0,2,0,0,0,0|1,0,1]=4 150 B8R0.24 CC(C)(C)OC(=O)CN CS22257 [0,2,0,0,0,0|1,0,1]=4 151 B8R0.24 CC(C)(C)OC(=O)CO CS21767 [0,2,0,0,0,0|1,0,1]=4 152 B8R0.33 CS(=O)(=O)OS(C)(=O)=O MC32060 [0,2,0,0,0,0|2,0,0]=4 153 B8R0.37 CC(=O)C(C)(C)C(C)=O MC445207 [0,2,0,0,0,0|1,0,0]=3 154 B6R1.2 CC1=CC=CO1 MC41695 [1,0,0,1,0,0|1,0,1]=4 155 B6R1.2 CC1=NC=CO1 CS11827 [1,0,0,1,0,0|1,0,1]=4 156 B6R1.2 CC1=NN=CO1 CS12863 [1,0,0,1,0,0|2,0,0]=4 157 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|1,0,1]=4 158 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|2,0,0]=4 159 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|2,0,0]=4 160 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|2,0,0]=4 161 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,1,0,1|2,0,0]=4 163 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,1,0,1|1,0,0]=3 164 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,0,1|1,0,0]=3 165 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,0,0,1,0,1|2,0,0]=4 166 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,0,0,1,0,1|2,0,0]=4 167 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,1,0,1,0,0|0,0,0]=2 169 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,1,0,1,0,0|1,0,0]=3 170 B8R1.4 O=C1CNCC(=O)N1 CS19079 [0,1,0,1,0,0|1,0,0]=3 171 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.18 CC1=CC(=O)N(C)N1 CS18184 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.18 CC1=NN(C)C(=O)C1 CS17716 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,1,0,0|0,0,0]=2 175 B8R1.18 CC1NC(=O)OC1=O CS17248 [0,1,0,1,0,0|1,0,0]=3 176 B8R1.18 CC1NC(=O)OC1=O MC428306 [0,1,0,1,0,0|1,0,0]=3 177 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [0,1,0,1,0,0|0,0,2]=4 178 B8R1.34 CC(=O)C=C1COC1 MC425334 [0,1,0,1,0,0|1,0,1]=4 179 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,1,0,1,0,0|1,0,0]=3 181 B8R1.50 O=C1CCC(=O)N1Br CS19757 [0,1,0,1,0,0|1,0,0]=3 182 B8R1.50 O=C1CCC(=O)N1I CS19758 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.50 O=C1CCC(=O)N1O CS19674 [0,1,0,1,0,0|1,0,0]=3