0 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 C=C1COCC1N Z3066568668 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.4 CC1=CON=C1N Z995041844 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.4 CC1=NOC=C1N Z2466617876 [0,0,0,0,0,0|1,0,3]=4 4 B7R1.4 CC1=NON=C1N Z57948408 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.4 CC1CCCC1N Z1219738990 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.4 CC1CCNC1C Z1335657674 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.4 CC1SCCC1N Z2408712737 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.4 CN1C=CNC1=O Z1198329852 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.4 CN1C=NNC1=O Z1526503443 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.4 CN1CCNC1=O Z336079928 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.4 CN1CNCC1=O Z1601562352 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.4 NC1=CNNC1=O Z2216303144 [0,0,0,0,0,0|1,0,2]=3 21 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.4 NC1CONC1=O Z336087816 [0,0,0,0,0,0|0,0,0]=0 24 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.4 N[C@@H]1COC[C@@H]1F Z2756848808 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.4 N[C@@H]1COC[C@H]1F Z4185697479 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.4 N[C@@H]1COC[C@H]1N Z2306914123 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,0,0,0,0,0|0,0,0]=0 33 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,0,0,0,0,0|1,1,2]=4 34 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,0,0,0|2,0,0]=2 36 B7R1.4 N[C@H]1CNC[C@H]1N Z4670285097 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,0,0,0,0,0|0,0,0]=0 38 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,0,0,0,0|2,0,0]=2 40 B6R1.2 C=C1CCNC1 Z3019986853 [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 C=C1CNOC1 Z3037884222 [1,0,0,0,0,0|1,0,2]=4 42 B6R1.2 CC1=NCCN1 Z204020260 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,0,0,0|2,0,1]=4 44 B6R1.2 CC1CCNC1 Z729771722 [1,0,0,0,0,0|2,0,1]=4 45 B6R1.2 CC1CNNC1 Z4953319766 [1,0,0,0,0,0|2,0,1]=4 46 B6R1.2 FC1CCNC1 Z1139751347 [1,0,0,0,0,0|2,0,1]=4 47 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,0,0,0|2,0,0]=3 48 B6R1.2 NC1=CNC=N1 Z3241270014 [1,0,0,0,0,0|2,0,1]=4 49 B6R1.2 NC1=CNN=N1 Z1964347651 [1,0,0,0,0,0|2,0,1]=4 50 B6R1.2 NC1=NNCC1 Z1569708704 [1,0,0,0,0,0|2,0,1]=4 51 B6R1.2 NC1=NON=C1 Z1203638167 [1,0,0,0,0,0|1,0,2]=4 52 B6R1.2 NC1C=CCC1 Z2679312470 [1,0,0,0,0,0|2,0,0]=3 53 B6R1.2 NC1CC=CC1 Z1416200863 [1,0,0,0,0,0|2,0,1]=4 54 B6R1.2 NC1CCOC1 Z802544198 [1,0,0,0,0,0|1,0,1]=3 55 B6R1.2 NC1CCSC1 Z1267885911 [1,0,0,0,0,0|1,1,1]=4 56 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [1,0,0,0,0,0|2,0,0]=3 57 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 O=C1C=CNN1 Z1198154338 [1,0,0,0,0,0|1,0,2]=4 59 B6R1.2 O=C1C=CSN1 Z1741980421 [1,0,0,0,0,0|0,1,2]=4 60 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,0,0,0|1,0,0]=2 61 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,0,0,0|1,0,0]=2 63 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,0,0,0|1,1,0]=3 64 B6R1.2 O=C1NC=CN1 Z1198148260 [1,0,0,0,0,0|2,0,1]=4 65 B6R1.2 O=C1NC=CS1 Z445210514 [1,0,0,0,0,0|2,0,1]=4 66 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,0,0,0|2,0,0]=3 67 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,0,0,0|2,0,0]=3 69 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 OC1C=CCC1 Z1255485846 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 OC1CCOC1 Z1124541349 [1,0,0,0,0,0|1,0,2]=4 73 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [1,0,0,0,0,0|2,0,1]=4 74 B6R1.2 O[C@H]1CCNC1 Z1263714116 [1,0,0,0,0,0|2,0,1]=4 75 B6R1.2 SC1=NCCN1 Z104497392 [1,0,0,0,0,0|2,1,0]=4 76 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.11 CCC1CCNC1=O Z1203732458 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.11 CCN1CCNC1=O Z1179328150 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.11 N#CC1CCCC1=O Z951172672 [0,1,0,0,0,0|2,0,1]=4 80 B8R1.11 NC[C@@H]1COC[C@@H]1O Z2828229275 [0,1,0,0,0,0|1,0,2]=4 81 B8R1.11 N[C@@H]1COC[C@@H]1CO Z2568674574 [0,1,0,0,0,0|1,0,2]=4 82 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,1,0,0,0,0|1,0,0]=2 89 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,1,0,0,0,0|1,0,0]=2 90 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.19 CC1(COCC1=O)C Z1513611826 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.19 NC1COCC1(F)F Z4184667162 [0,1,0,0,0,0|2,0,1]=4 97 B8R1.50 CC1=C(C(=O)NN1)N Z2205958785 [0,1,0,0,0,0|1,0,2]=4 98 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.50 CN1CCN(C1=O)C Z56755571 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,1,0,0,0,0|0,0,0]=1 103 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.1 CCC(=O)COC Z825742020 [0,0,1,0,0,0|2,0,0]=3 105 B6R0.1 CCC(N)COC Z825742260 [0,0,1,0,0,0|2,0,1]=4 106 B6R0.1 CCCC(=O)CN Z1203579017 [0,0,1,0,0,0|2,0,0]=3 107 B6R0.1 CCNC(=O)CN Z54747476 [0,0,1,0,0,0|1,0,0]=2 108 B6R0.1 CCNC(=O)CO Z431952024 [0,0,1,0,0,0|2,0,0]=3 109 B6R0.1 CCNC(=S)NN Z56965890 [0,0,1,0,0,0|2,1,0]=4 110 B6R0.1 CCOC(=O)CN Z594038186 [0,0,1,0,0,0|2,0,0]=3 111 B6R0.1 CCOC(=O)CO Z385458066 [0,0,1,0,0,0|3,0,0]=4 112 B6R0.1 CCOC(=O)NN Z104478458 [0,0,1,0,0,0|3,0,0]=4 113 B6R0.1 COCC(N)C#N Z1601562385 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.1 COCC(N)CN Z1203580237 [0,0,1,0,0,0|2,0,1]=4 115 B6R0.1 COCC(N)CO Z1945984156 [0,0,1,0,0,0|1,0,2]=4 116 B6R0.1 COCC(O)CN Z271097108 [0,0,1,0,0,0|1,0,2]=4 117 B6R0.1 CONC(=O)CCl Z234816732 [0,0,1,0,0,0|1,0,0]=2 118 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,1,0,0,0|2,0,1]=4 119 B6R0.3 CC(C)C(=O)NN Z56926537 [0,0,1,0,0,0|2,0,0]=3 120 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,0,1,0,0,0|2,0,1]=4 121 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,1,0,0,0|3,0,0]=4 122 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,1,0,0,0|2,0,0]=3 123 B6R0.3 CC(N)C(C)CO Z1203581847 [0,0,1,0,0,0|2,0,1]=4 124 B6R0.3 CCC(C)C(=N)N Z823287482 [0,0,1,0,0,0|3,0,0]=4 125 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,1,0,0,0|2,0,0]=3 126 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,1,0,0,0|3,0,0]=4 127 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,1,0,0,0|2,0,0]=3 128 B6R0.3 CCC(O)C(=O)N Z965049008 [0,0,1,0,0,0|2,0,0]=3 129 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,1,0,0,0|3,0,0]=4 130 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,1,0,0,0|2,0,0]=3 131 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,1,0,0,0|3,0,0]=4 132 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,1,0,0,0|2,0,0]=3 133 B6R0.3 CN(C)C(=O)CO Z431952018 [0,0,1,0,0,0|3,0,0]=4 134 B6R0.3 CNC(=O)C(C)Cl Z104346638 [0,0,1,0,0,0|2,0,0]=3 135 B6R0.3 CNC(=O)C(C)N Z105197440 [0,0,1,0,0,0|1,0,0]=2 136 B6R0.3 CNC(=O)C(C)O Z431951884 [0,0,1,0,0,0|2,0,0]=3 137 B6R0.3 CNC(=O)C(F)F Z32016385 [0,0,1,0,0,0|3,0,0]=4 138 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,0,1,0,0,0|1,0,0]=2 139 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,0,1,0,0,0|1,0,0]=2 140 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,0,1,0,0,0|3,0,0]=4 141 B6R0.3 COC(=O)C(C)N Z56968898 [0,0,1,0,0,0|2,0,0]=3 142 B6R0.3 COC(C)C(=O)N Z223645218 [0,0,1,0,0,0|3,0,0]=4 143 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,0,1,0,0,0|2,0,1]=4 144 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,1,0,0,0|1,0,0]=2 145 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,1,0,0,0|1,1,0]=3 146 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,1,0,0,0|2,0,0]=3 147 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,0,1,0,0,0|2,0,0]=3 148 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,1,0,0,0|3,0,0]=4 149 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,1,0,0,0|1,0,0]=2 150 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,1,0,0,0|1,1,0]=3 151 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,1,0,0,0|1,0,0]=2 152 B6R0.6 C=C/C=C/CCN Z2786180930 [0,0,1,0,0,0|3,0,0]=4 153 B6R0.6 C=CCCCCN Z1198160046 [0,0,1,0,0,0|3,0,0]=4 154 B6R0.6 C=CCOCCN Z976678988 [0,0,1,0,0,0|2,0,0]=3 155 B6R0.6 C=CCSCCN Z1262237162 [0,0,1,0,0,0|2,1,0]=4 156 B6R0.6 CCCOCCN Z4449042604 [0,0,1,0,0,0|2,0,1]=4 157 B6R0.6 CONCCCN Z2492414217 [0,0,1,0,0,0|3,0,0]=4 158 B8R2.2 N[C@@]12COC[C@@H]1C2 Z2755982948 [0,0,0,1,0,0|2,0,1]=4 159 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.4 CC1CCC1N Z2082999653 [0,0,0,0,1,0|2,0,1]=4 161 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,0,0,0,0,1|3,0,0]=4 162 B8R1.4 CC1CC(CCN1)N Z3950506166 [0,0,0,0,0,1|2,0,1]=4 163 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,0,0,0,0,1|3,0,0]=4 164 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,0,0,1|3,0,0]=4 165 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,0,0,0,1|3,0,0]=4 166 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,0,0,1|2,0,0]=3 167 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,0,0,0,0,1|3,0,0]=4 168 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,0,0,0,0,1|2,0,1]=4 169 B8R1.4 NC1=CC(=O)NC=N1 Z800191892 [0,0,0,0,0,1|2,0,1]=4 170 B8R1.4 NC1=CC(=O)NN=C1 Z1198330189 [0,0,0,0,0,1|1,0,2]=4 171 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,0,0,0,0,1|2,0,0]=3 172 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,0,0,0,0,1|2,0,1]=4 173 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,0,0,0,0,1|2,0,1]=4 174 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,0,0,0,0,1|2,0,1]=4 175 B8R1.5 CC1CCCCC1=O Z104477192 [0,0,0,0,0,1|3,0,0]=4 176 B8R1.5 CC1CCCNC1=O Z1013766916 [0,0,0,0,0,1|2,0,0]=3 177 B8R1.5 CC1CCOCC1N Z3035821495 [0,0,0,0,0,1|2,0,1]=4 178 B8R1.5 CC1CNCCC1=O Z1741969235 [0,0,0,0,0,1|3,0,0]=4 179 B8R1.5 CC1COCCC1=O Z1192338803 [0,0,0,0,0,1|2,0,0]=3 180 B8R1.5 CC1COCCC1N Z1868316869 [0,0,0,0,0,1|2,0,1]=4 181 B8R1.5 CC1NCCNC1=O Z336079670 [0,0,0,0,0,1|2,0,0]=3 182 B8R1.5 CC1SCCCC1=O Z1359849054 [0,0,0,0,0,1|3,0,0]=4 183 B8R1.5 CC1SCCNC1=O Z1098219156 [0,0,0,0,0,1|2,0,0]=3 184 B8R1.5 CN1CCNCC1=O Z1250100764 [0,0,0,0,0,1|3,0,0]=4 185 B8R1.5 CN1CNCNC1=O Z5130722475 [0,0,0,0,0,1|3,0,0]=4 186 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [0,0,0,0,0,1|2,0,1]=4 187 B8R1.5 NC1=CC=NNC1=O Z3034935799 [0,0,0,0,0,1|1,0,2]=4 188 B8R1.5 NC1=NC=CNC1=O Z3225902419 [0,0,0,0,0,1|1,0,2]=4 189 B8R1.5 NC1CCCCC1=O Z2186882796 [0,0,0,0,0,1|2,0,0]=3 190 B8R1.5 NC1CCCNC1=O Z993991168 [0,0,0,0,0,1|1,0,0]=2 191 B8R1.5 NC1CCOCC1O Z2688974552 [0,0,0,0,0,1|1,0,2]=4 192 B8R1.5 NN1CCCCC1=O Z976663668 [0,0,0,0,0,1|3,0,0]=4 193 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,0,0,0,0,1|2,0,1]=4 194 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,0,0,0,0,1|1,0,2]=4 195 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,0,0,0,0,1|3,0,0]=4 196 B8R1.5 O=C1NCCCC1F Z1203749514 [0,0,0,0,0,1|2,0,0]=3 197 B8R1.5 O[C@H]1CONC[C@H]1O Z3073361071 [0,0,0,0,0,1|1,0,2]=4 198 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,1,0,0,0|2,0,0]=4 199 B5R0.1 CC(=O)CCO Z906206900 [1,0,1,0,0,0|1,0,0]=3 200 B5R0.1 CC(N)CCO Z385458430 [1,0,1,0,0,0|1,0,1]=4 201 B5R0.1 CCCC(=N)N Z1198394172 [1,0,1,0,0,0|2,0,0]=4 202 B5R0.1 CCCC(=O)N Z33546461 [1,0,1,0,0,0|1,0,0]=3 203 B5R0.1 CCCC(=O)O Z104495380 [1,0,1,0,0,0|2,0,0]=4 204 B5R0.1 CCNC(=N)N Z2574931373 [1,0,1,0,0,0|2,0,0]=4 205 B5R0.1 CCOC(=O)N Z33546369 [1,0,1,0,0,0|2,0,0]=4 206 B5R0.1 CNCC(=O)N Z415678308 [1,0,1,0,0,0|2,0,0]=4 207 B5R0.1 CNCC(C)N Z1413780485 [1,0,1,0,0,0|1,0,1]=4 208 B5R0.1 COCC(=N)N Z1258620054 [1,0,1,0,0,0|2,0,0]=4 209 B5R0.1 COCC(=O)N Z33546778 [1,0,1,0,0,0|1,0,0]=3 210 B5R0.1 COCC(=O)O Z104477404 [1,0,1,0,0,0|2,0,0]=4 211 B5R0.1 COC[C@@H](C)N Z1270482298 [1,0,1,0,0,0|1,0,1]=4 212 B5R0.1 COC[C@H](C)N Z1270502316 [1,0,1,0,0,0|1,0,1]=4 213 B5R0.1 CSCC(=O)N Z33545668 [1,0,1,0,0,0|1,1,0]=4 214 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,0,1,0,0,0|1,0,1]=4 215 B5R0.1 N#CCC(=O)N Z56896153 [1,0,1,0,0,0|1,0,1]=4 216 B5R0.1 N=C(N)CCO Z1198394167 [1,0,1,0,0,0|1,0,0]=3 217 B5R0.1 NC(=O)CCO Z431951940 [1,0,1,0,0,0|0,0,0]=2 218 B5R0.1 NCCC(=O)N Z415728050 [1,0,1,0,0,0|1,0,0]=3 219 B5R0.1 NCCC(=O)O Z57127544 [1,0,1,0,0,0|2,0,0]=4 220 B5R0.1 NOCC(=O)O Z90662171 [1,0,1,0,0,0|1,0,1]=4 221 B5R0.1 O=C(O)CCCl Z203045320 [1,0,1,0,0,0|2,0,0]=4 222 B5R0.1 O=C(O)CCS Z104474322 [1,0,1,0,0,0|1,1,0]=4 223 B5R0.1 O=C(O)CNO Z1205493750 [1,0,1,0,0,0|2,0,0]=4 224 B5R0.2 C/C=C/CCN Z1268152372 [1,0,1,0,0,0|2,0,0]=4 225 B5R0.2 C/C=C/OCC Z281777810 [1,0,1,0,0,0|2,0,0]=4 226 B5R0.2 C=CCCCN Z993058434 [1,0,1,0,0,0|2,0,0]=4 227 B5R0.2 CCCCC=O Z104472992 [1,0,1,0,0,0|2,0,0]=4 228 B5R0.2 CCNOCC Z223690220 [1,0,1,0,0,0|1,0,1]=4 229 B5R0.2 CCOCCN Z271005962 [1,0,1,0,0,0|1,0,1]=4 230 B5R0.3 C#CC(N)CO Z2235790715 [1,0,1,0,0,0|1,0,1]=4 231 B5R0.3 C=C(CC)CN Z2238934536 [1,0,1,0,0,0|2,0,0]=4 232 B5R0.3 C=CC(N)CO Z2146514374 [1,0,1,0,0,0|1,0,0]=3 233 B5R0.3 CC(CN)CO Z406342068 [1,0,1,0,0,0|1,0,1]=4 234 B5R0.3 CC/C(=N/O)/N Z241067842 [1,0,1,0,0,0|1,0,1]=4 235 B5R0.3 CCC(=O)CC Z104476878 [1,0,1,0,0,0|2,0,0]=4 236 B5R0.3 CCC(=O)CN Z1203579016 [1,0,1,0,0,0|1,0,0]=3 237 B5R0.3 CCC(=O)NN Z56886418 [1,0,1,0,0,0|1,0,0]=3 238 B5R0.3 CCC(N)CN Z1263714131 [1,0,1,0,0,0|1,0,1]=4 239 B5R0.3 CCC(N)CO Z104474862 [1,0,1,0,0,0|1,0,1]=4 240 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,1,0,0,0|1,0,1]=4 241 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,1,0,0,0|1,0,1]=4 242 B5R0.3 CNC(=N)NN Z2301534051 [1,0,1,0,0,0|2,0,0]=4 243 B5R0.3 CNC(=O)CCl Z56891219 [1,0,1,0,0,0|1,0,0]=3 244 B5R0.3 CNC(=O)CN Z57981102 [1,0,1,0,0,0|0,0,0]=2 245 B5R0.3 CNC(=O)CO Z431952700 [1,0,1,0,0,0|1,0,0]=3 246 B5R0.3 CNC(=O)CS Z1203730878 [1,0,1,0,0,0|1,0,0]=3 247 B5R0.3 CNC(C)CN Z941154208 [1,0,1,0,0,0|1,0,1]=4 248 B5R0.3 COC(=O)CN Z57042020 [1,0,1,0,0,0|0,0,0]=2 249 B5R0.3 COC(C)CN Z1795817756 [1,0,1,0,0,0|1,0,1]=4 250 B5R0.3 N#CC(N)CO Z2301438409 [1,0,1,0,0,0|0,0,2]=4 251 B5R0.3 N=C(CN)NO Z223781376 [1,0,1,0,0,0|1,0,0]=3 252 B5R0.3 NC(CO)CO Z1203577940 [1,0,1,0,0,0|0,0,2]=4 253 B5R0.3 NCC(=O)CN Z1198147360 [1,0,1,0,0,0|2,0,0]=4 254 B5R0.3 NCC(N)CN Z1203578196 [1,0,1,0,0,0|1,0,1]=4 255 B5R0.3 O=C(CO)CO Z1255442144 [1,0,1,0,0,0|2,0,0]=4 256 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,1,0,0,0|1,0,1]=4 257 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,1,0,0,0|1,0,0]=3 258 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,1,0,0,0|1,0,0]=3 259 B5R0.5 CC(C)C(=N)N Z381357616 [1,0,1,0,0,0|2,0,0]=4 260 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,1,0,0,0|1,0,0]=3 261 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,1,0,0,0|1,0,0]=3 262 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,1,0,0,0|1,0,0]=3 263 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,1,0,0,0|1,0,0]=3 264 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,1,0,0,0|0,0,0]=2 265 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,1,0,0,0|0,0,0]=2 266 B5R0.5 CC(N)C(C)N Z2335631664 [1,0,1,0,0,0|1,0,1]=4 267 B5R0.5 CC(O)C(=N)N Z2216711526 [1,0,1,0,0,0|2,0,0]=4 268 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,1,0,0,0|1,0,0]=3 269 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,1,0,0,0|1,0,0]=3 270 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,1,0,0,0|0,0,0]=2 271 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,1,0,0,0|0,0,0]=2 272 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,1,0,0,0|0,0,0]=2 273 B5R0.5 NC(=O)C(F)F Z33546481 [1,0,1,0,0,0|2,0,0]=4 274 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,1,0,0,0|2,0,0]=4 275 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,1,0,0,0|2,0,0]=4 276 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,1,1,0,0,0|2,0,0]=4 277 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,1,1,0,0,0|1,0,0]=3 278 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,1,1,0,0,0|2,0,0]=4 279 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,1,1,0,0,0|2,0,0]=4 280 B7R0.3 C#CCNC(=O)CN Z1262250790 [0,1,1,0,0,0|1,0,1]=4 281 B7R0.3 C=CC(=O)NOCC Z1251326848 [0,1,1,0,0,0|1,0,1]=4 282 B7R0.3 CCC(=O)NCCN Z1455674775 [0,1,1,0,0,0|2,0,0]=4 283 B7R0.3 CCCNC(=O)CC Z33030426 [0,1,1,0,0,0|2,0,0]=4 284 B7R0.3 NCC(=O)NCCO Z401366912 [0,1,1,0,0,0|1,0,0]=3 285 B7R0.3 O=C(CO)NCCO Z1203732626 [0,1,1,0,0,0|2,0,0]=4 286 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,1,1,0,0,0|2,0,0]=4 287 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,1,1,0,0,0|2,0,0]=4 288 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,1,1,0,0,0|2,0,0]=4 289 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,1,0,0,0|2,0,0]=4 290 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,1,0,0,0|2,0,0]=4 291 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,1,0,0,0|2,0,0]=4 292 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,1,0,0,0|2,0,0]=4 293 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,1,1,0,0,0|2,0,0]=4 294 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,1,1,0,0,0|1,0,0]=3 295 B7R0.5 COCC(=O)C(C)C Z825742022 [0,1,1,0,0,0|2,0,0]=4 296 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,1,0,0,0|2,0,0]=4 297 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,1,0,0,0|1,0,0]=3 298 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,1,0,0,0|1,1,0]=4 299 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,1,0,0,0|2,0,0]=4 300 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,1,0,0,0|2,0,0]=4 301 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,1,0,0,0|2,0,0]=4 302 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,1,0,0,0|1,0,0]=3 303 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,1,0,0,0|2,0,0]=4 304 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,1,0,0,0|2,0,0]=4 305 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,1,0,0,0|2,0,0]=4 306 B7R0.7 CCNC(=O)CCCl Z239813542 [0,1,1,0,0,0|2,0,0]=4 307 B7R0.7 CCNC(=O)CCN Z1449756826 [0,1,1,0,0,0|1,0,0]=3 308 B7R0.7 CCNC(=O)CCO Z975909368 [0,1,1,0,0,0|2,0,0]=4 309 B7R0.7 CCNC(=O)CNC Z594038090 [0,1,1,0,0,0|1,0,0]=3 310 B7R0.7 CCOC(=O)CNC Z1262237263 [0,1,1,0,0,0|2,0,0]=4 311 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,1,0,0,0|2,0,0]=4 312 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,1,1,0,0,0|1,0,0]=3 313 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,1,1,0,0,0|2,0,0]=4 314 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,1,1,0,0,0|2,0,0]=4 315 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,1,0,0,0|2,0,0]=4 316 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,1,0,0,0|2,0,0]=4 317 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,1,0,0,0|1,0,0]=3 318 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,1,0,0,0|2,0,0]=4 319 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,1,1,0,0,0|2,0,0]=4 320 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,1,1,0,0,0|1,0,0]=3 321 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,1,0,0,0|2,0,0]=4 322 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,1,1,0,0,0|2,0,0]=4 323 B7R0.14 CC(C)(C)C(=O)NO Z59181923 [0,1,1,0,0,0|1,0,0]=3 324 B7R0.14 CNC(=O)C(C)(C)N Z1449756243 [0,1,1,0,0,0|1,0,0]=3 325 B7R0.14 COC(=O)C(C)(C)N Z339270984 [0,1,1,0,0,0|2,0,0]=4 326 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,1,1,0,0,0|2,0,0]=4 327 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,1,1,0,0,0|2,0,0]=4 328 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,1,0,0,0|2,0,0]=4 329 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,1,0,0,0|2,0,0]=4 330 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,1,0,0,0|2,0,0]=4 331 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,1,0,0,0|1,0,0]=3 332 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,1,0,0,0|2,0,0]=4 333 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,1,0,0,0|1,0,0]=3 334 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,1,0,0,0|2,0,0]=4 335 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,1,0,0,0|2,0,0]=4 336 B7R0.16 CC(Cl)C(=O)N(C)C Z104378282 [0,1,1,0,0,0|2,0,0]=4 337 B7R0.16 CC(O)C(=O)N(C)C Z431951926 [0,1,1,0,0,0|2,0,0]=4 338 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,1,0,0,0|2,0,0]=4 339 B7R0.16 C[C@@H](N)C(=O)N(C)C Z1357774240 [0,1,1,0,0,0|1,0,0]=3 340 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,1,0,0,0|1,0,0]=3 341 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,1,0,0,0|1,0,0]=3 342 B7R0.16 C[C@H](N)C(=O)N(C)C Z1562155926 [0,1,1,0,0,0|1,0,0]=3 343 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,1,0,0,0|1,0,0]=3 344 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,1,0,0,0|0,0,2]=4 345 B7R0.4 CC(=O)NCCCN Z295405102 [0,1,1,0,0,0|1,0,0]=3 346 B7R0.4 CC(=O)NCCCO Z353570744 [0,1,1,0,0,0|2,0,0]=4 347 B7R0.4 CCCOCC(=O)O Z406677750 [0,1,1,0,0,0|2,0,0]=4 348 B7R0.4 NC(=O)COCCO Z1198148880 [0,1,1,0,0,0|2,0,0]=4 349 B7R0.4 NC(=O)NCCCO Z198194722 [0,1,1,0,0,0|2,0,0]=4 350 B7R0.4 NCCCCC(=O)N Z1639630947 [0,1,1,0,0,0|2,0,0]=4 351 B7R0.4 NCCCCC(=O)O Z271111992 [0,1,1,0,0,0|2,0,0]=4 352 B7R0.4 NCCCOC(=O)N Z3337481796 [0,1,1,0,0,0|2,0,0]=4 353 B7R0.4 NCCNCC(=O)O Z2692249907 [0,1,1,0,0,0|2,0,0]=4 354 B7R0.4 NCCOCC(=O)N Z1428158847 [0,1,1,0,0,0|1,0,0]=3 355 B7R0.4 NCCOCC(=O)O Z1650039500 [0,1,1,0,0,0|1,0,0]=3 356 B7R0.4 NCCSCC(=O)O Z1381287295 [0,1,1,0,0,0|1,1,0]=4 357 B7R0.4 O=C([O-])COCCO Z1744715804 [0,1,1,0,0,0|2,0,0]=4 358 B7R1.1 CNC1CCOC1 Z1079260566 [1,1,0,0,0,0|1,0,1]=4 359 B7R1.1 NCC1=NOCC1 Z3217343112 [1,1,0,0,0,0|1,0,1]=4 360 B7R1.1 NCC1C=CCC1 Z2768196818 [1,1,0,0,0,0|2,0,0]=4 361 B7R1.1 NCC1COCO1 Z2298138033 [1,1,0,0,0,0|2,0,0]=4 362 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,1,0,0,0,0|2,0,0]=4 363 B7R1.1 O=CC1CCOC1 Z199056102 [1,1,0,0,0,0|1,0,1]=4 364 B7R1.1 O=NN1CCOC1 Z1198157988 [1,1,0,0,0,0|2,0,0]=4 365 B7R1.2 CC1=CC(=O)NO1 Z56761467 [1,1,0,0,0,0|0,0,2]=4 366 B7R1.2 CC1=NNC(=O)C1 Z50145989 [1,1,0,0,0,0|1,0,1]=4 367 B7R1.2 CC1CC(=O)CN1 Z1509349081 [1,1,0,0,0,0|2,0,0]=4 368 B7R1.2 CC1CC(=O)NN1 Z217165562 [1,1,0,0,0,0|1,0,0]=3 369 B7R1.2 CC1CC(CO1)N Z2418414350 [1,1,0,0,0,0|1,0,1]=4 370 B7R1.2 CC1CCC(=O)N1 Z1250132456 [1,1,0,0,0,0|1,0,0]=3 371 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,1,0,0,0,0|2,0,0]=4 372 B7R1.2 CC1CNC(=N)C1 Z4085233400 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,1,0,0,0,0|1,0,0]=3 374 B7R1.2 CC1CNC(=O)N1 Z1203730895 [1,1,0,0,0,0|2,0,0]=4 375 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,1,0,0,0,0|2,0,0]=4 376 B7R1.2 CN1CCC(=O)C1 Z415646350 [1,1,0,0,0,0|2,0,0]=4 377 B7R1.2 CN1CCC(=O)N1 Z1618125551 [1,1,0,0,0,0|1,0,0]=3 378 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [1,1,0,0,0,0|2,0,0]=4 379 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [1,1,0,0,0,0|1,0,1]=4 380 B7R1.2 NC1=NCC(=O)N1 Z203038534 [1,1,0,0,0,0|2,0,0]=4 381 B7R1.2 NC1CNC(=O)C1 Z1198329759 [1,1,0,0,0,0|1,0,0]=3 382 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [1,1,0,0,0,0|1,0,1]=4 383 B7R1.2 O=C1CC(CN1)O Z1198157723 [1,1,0,0,0,0|1,0,0]=3 384 B7R1.2 O=C1CCC(=O)N1 Z57127349 [1,1,0,0,0,0|1,0,0]=3 385 B7R1.2 O=C1CCC(=O)O1 Z57127506 [1,1,0,0,0,0|2,0,0]=4 386 B7R1.2 O=C1CNC(=O)N1 Z57131035 [1,1,0,0,0,0|2,0,0]=4 387 B7R1.2 O=C1CNC(=S)N1 Z56900799 [1,1,0,0,0,0|2,0,0]=4 388 B7R1.2 O=C1COC(=O)N1 Z56762271 [1,1,0,0,0,0|2,0,0]=4 389 B7R1.2 O=C1CSC(=O)N1 Z57131032 [1,1,0,0,0,0|2,0,0]=4 390 B7R1.2 O=C1CSC(=S)N1 Z57127468 [1,1,0,0,0,0|2,0,0]=4 391 B7R1.14 CC1(CCOC1)N Z1895741238 [1,1,0,0,0,0|1,0,1]=4 392 B7R1.14 CC1(CNOC1)O Z3035808330 [1,1,0,0,0,0|1,0,1]=4 393 B7R1.14 O=S1(=O)CCCN1 Z359508120 [1,1,0,0,0,0|2,0,0]=4 394 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,0,1,0|2,0,0]=4 395 B7R1.17 CC1(CNC1=O)C Z425427928 [0,1,0,0,1,0|1,0,0]=3 396 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.3 CC1CCNC(=O)C1N Z1203587127 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.34 CC1CC(=O)NC(=O)C1 Z1041181212 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.34 NC1CC(=O)NC(=O)C1 Z2867491050 [0,1,0,0,0,1|1,0,0]=3 401 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.66 CC1(COCC(=O)N1)C Z1198274805 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.66 O=C1CC(CCN1)(F)F Z1198724133 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.69 CN1CCC(=NC1=O)N Z2289798132 [0,1,0,0,0,1|1,0,1]=4 405 B9R1.69 CN1CCC(CC1=O)N Z1795817781 [0,1,0,0,0,1|1,0,0]=3 406 B9R1.15 CCC1CCCNC1=O Z1203731521 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.15 CCC1NCCNC1=O Z57663834 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.15 CNC1CCCNC1=O Z1795818556 [0,1,0,0,0,1|1,0,0]=3 409 B9R1.15 NCC1CCCNC1=O Z2289798362 [0,1,0,0,0,1|1,0,0]=3 410 B9R1.15 O=C1NCCCC1CO Z1203732010 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.15 O=C1NCCOC1CO Z2239006921 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.40 CC1(SCCNC1=O)C Z1203732470 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.40 O=C1NCCCC1(Cl)Cl Z1255372866 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.22 NCC1NC(=O)NC1=O Z5935085403 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.33 C#CCC1CCNC1=O Z1685768902 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.33 CCNC1CCNC1=O Z1998636522 [0,2,0,0,0,0|1,0,0]=3 417 B9R1.33 NCCN1CCNC1=O Z285171810 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.33 O=C1NCCC1CCO Z1203745921 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.41 CC(C)C1CCNC1=O Z1203830076 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.132 CNC1CCN(C1=O)C Z2044707009 [0,2,0,0,0,0|1,0,0]=3 422 B9R1.132 N[C@H]1C(=O)OC[C@H]1CO Z4342606943 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.202 CC1(CCNC1=O)C#N Z1203748528 [0,2,0,0,0,0|1,0,1]=4 424 B9R1.202 CC1(CCNC1=O)CN Z2718904458 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.202 CC1(CCNC1=O)CO Z1868060587 [0,2,0,0,0,0|2,0,0]=4 426 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.36 CC1CC(NC1=O)(C)C Z1263714376 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.37 CC1C(=O)NC(=O)C1C Z1255493920 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.37 CC1NC(=O)C(C1C)C Z1509031333 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.37 CN1C(=O)CC(C1=O)N Z1262398536 [0,2,0,0,0,0|1,0,0]=3 431 B9R1.38 CC1(CC(=O)NC1=O)C Z384975080 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.38 CC1CC(C(=O)N1)(C)C Z1203733674 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.106 CC1(C(=O)NCC1N)C Z3242507380 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.106 CC1(C(=O)NCC1O)C Z1889709990 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.138 CC1(CNC(=O)C1N)C Z1203653557 [0,2,0,0,0,0|1,0,0]=3 436 B9R1.138 CC1(CNC(=O)C1O)C Z1203733112 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.138 CC1(COC(=O)C1N)C Z2092370679 [0,2,0,0,0,0|2,0,0]=4 438 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,1,1,0,0|2,0,0]=4 439 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,1,1,0,0|2,0,0]=4 440 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,1,1,0,0|2,0,0]=4 441 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,1,1,0,0|1,0,0]=3 442 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,1,1,0,0|2,0,0]=4 443 B7R1.25 CC1(COC1)C=O Z1198234536 [0,0,1,1,0,0|2,0,0]=4 444 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,1,1,0,0|2,0,0]=4 445 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,1,1,0,0|2,0,0]=4 446 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,1,1,0,0|2,0,0]=4 447 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,1,1,0,0|2,0,0]=4 448 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,0,1,1,0,0|2,0,0]=4 449 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,0,1,1,0,0|2,0,0]=4 450 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,0,1,1,0,0|2,0,0]=4 451 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,0,1,1,0,0|1,0,0]=3 452 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,1,1,0,0|2,0,0]=4 453 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [0,0,0,1,0,1|2,0,0]=4 454 B9R2.20 O=C1NC[C@H]2[C@@H]1CC2 Z3445405198 [0,1,0,1,0,0|2,0,0]=4 455 B9R2.70 O=CC1=NOC2C1C2 Z4866644211 [0,1,0,1,0,0|1,0,1]=4 456 B5R1.2 NC1CCC1 Z1266823158 [1,0,0,0,1,0|1,0,1]=4 457 B5R1.2 NC1COC1 Z317054188 [1,0,0,0,1,0|0,0,1]=3 458 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,0,1,0|0,0,0]=2 459 B5R1.2 OC1CNC1 Z1012638850 [1,0,0,0,1,0|1,0,1]=4 460 B5R1.2 OC1COC1 Z1123686553 [1,0,0,0,1,0|1,0,1]=4 461 B5R1.4 CC1CC1N Z406520774 [0,0,0,0,2,0|1,0,1]=4 462 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [0,0,0,0,2,0|1,0,1]=4 463 B9R1.48 CC1CC(=O)NCCN1 Z1165350935 [0,0,0,0,0,2|2,0,0]=4 464 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [0,0,0,0,0,2|2,0,0]=4 465 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,0,0,0,0,2|2,0,0]=4 466 B9R1.5 CC1NCCCNC1=O Z1203829873 [0,0,0,0,0,2|2,0,0]=4 467 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,0,0,0,0,2|2,0,0]=4 468 B9R1.5 NC1CCCCNC1=O Z281895050 [0,0,0,0,0,2|1,0,0]=3 469 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,0,0,0,0,2|2,0,0]=4