0 B7R1.2 BrC1=CSC(=C1)Br Z1245646694 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 CC1=CC(=NN1)C Z50145988 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 CC1=CC(=NO1)N Z104503828 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 CC1=CC(=NS1)N Z1198165856 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.2 CC1=CC=C(S1)Br Z1255383262 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.2 CC1=CN=C(N1)O Z2630875693 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.2 CC1=CN=C(O1)N Z994267654 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 CC1=CN=C(S1)N Z104500072 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 CC1=CNC(=N1)C Z217301646 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CC1=CNC(=N1)N Z2515238565 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 CC1=CNC(=N1)S Z1198163268 [0,0,0,0,0,0|2,1,1]=4 12 B7R1.2 CC1=COC(=N1)S Z1416179155 [0,0,0,0,0,0|2,1,1]=4 13 B7R1.2 CC1=CSC(=N1)N Z48847548 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CC1=CSC(=N1)S Z203045926 [0,0,0,0,0,0|2,1,1]=4 15 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.2 CC1=NC(=NO1)N Z1147462977 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.2 CC1=NC(=NS1)N Z1198313987 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.2 CC1=NC=C(S1)N Z951517342 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 CC1=NN=C(N1)N Z951367902 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.2 CC1=NN=C(O1)N Z56957510 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.2 CC1=NN=C(O1)S Z55879328 [0,0,0,0,0,0|3,1,0]=4 23 B7R1.2 CC1=NN=C(S1)Br Z431956576 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.2 CC1=NN=C(S1)N Z56900928 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.2 CC1=NN=C(S1)O Z1238571569 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 CC1=NN=C(S1)S Z104485716 [0,0,0,0,0,0|3,1,0]=4 27 B7R1.2 CC1=NNC(=C1)N Z55423088 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.2 CC1=NNC(=N1)C Z57161895 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.2 CC1=NNC(=N1)S Z55982146 [0,0,0,0,0,0|3,1,0]=4 30 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.2 CC1=NOC(=C1)N Z118429566 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.2 CC1=NOC(=N1)N Z339356524 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.2 CC1=NOC(=N1)O Z1258992446 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.2 CC1=NOC(=N1)S Z1033258624 [0,0,0,0,0,0|3,1,0]=4 36 B7R1.2 CC1=NSC(=C1)N Z204042038 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.2 CC1=NSC(=N1)Cl Z368555490 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.2 CC1=NSC(=N1)N Z431702718 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,0,0,0|1,0,2]=3 40 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,0,0,0,0,0|2,0,2]=4 41 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,0,0,0|1,0,1]=2 42 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,0,0,0,0,0|1,0,1]=2 43 B7R1.2 CC1CCC(C1)O Z1233224917 [0,0,0,0,0,0|0,0,4]=4 44 B7R1.2 CC1CCC(N1)C Z1413780490 [0,0,0,0,0,0|2,0,2]=4 45 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,0,0,0,0,0|3,0,1]=4 46 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,0,0,0,0,0|3,0,1]=4 47 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,0,0,0,0,0|2,0,2]=4 48 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,0,0,0|1,0,2]=3 49 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,0,0,0|2,0,1]=3 50 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,0,0,0|2,0,1]=3 51 B7R1.2 CN1C=C(C=N1)Br Z337709426 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.2 CN1C=C(C=N1)I Z957334240 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.2 CN1C=C(C=N1)N Z1741968059 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.2 CN1C=C(C=N1)O Z1258763763 [0,0,0,0,0,0|2,0,2]=4 55 B7R1.2 CN1C=C(N=N1)Br Z1198276396 [0,0,0,0,0,0|4,0,0]=4 56 B7R1.2 CN1C=C(N=N1)N Z2177030666 [0,0,0,0,0,0|4,0,0]=4 57 B7R1.2 CN1C=NC(=C1)N Z2472857442 [0,0,0,0,0,0|3,0,1]=4 58 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [0,0,0,0,0,0|3,0,1]=4 59 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,0,0,0,0,0|3,0,0]=3 60 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,0,0,0|1,0,1]=2 61 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,0,0,0|2,0,0]=2 62 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [0,0,0,0,0,0|2,0,2]=4 63 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,0,0,0,0,0|1,0,0]=1 64 B7R1.2 NC1=CC(=O)NN1 Z1245635875 [0,0,0,0,0,0|3,0,0]=3 65 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,0,0,0,0,0|2,0,1]=3 66 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,0,0,0,0,0|3,0,0]=3 67 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,0,0,0,0,0|3,0,0]=3 68 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,0,0,0,0,0|2,0,2]=4 69 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,0,0,0|2,0,2]=4 70 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [0,0,0,0,0,0|1,0,3]=4 71 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [0,0,0,0,0,0|2,0,2]=4 72 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,0,0,0,0,0|3,0,1]=4 73 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,0,0,0|2,0,2]=4 74 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,0,0,0,0,0|2,0,0]=2 75 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,0,0,0,0,0|2,0,0]=2 76 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,0,0,0,0,0|3,0,0]=3 77 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,0,0,0,0,0|3,0,0]=3 78 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,0,0,0|3,0,0]=3 79 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,0,0,0,0,0|3,0,0]=3 80 B7R1.2 O=C1CSC(=S)N1 Z57127468 [0,0,0,0,0,0|3,0,0]=3 81 B7R1.2 O=C1N=C(NN1)S Z1723849188 [0,0,0,0,0,0|4,0,0]=4 82 B7R1.2 O=C1NC=C(S1)Cl Z1270529019 [0,0,0,0,0,0|3,0,1]=4 83 B7R1.2 O=C1NNC(=O)N1 Z1255461133 [0,0,0,0,0,0|4,0,0]=4 84 B6R1.2 C=C1CCNC1 Z3019986853 [1,0,0,0,0,0|1,0,2]=4 85 B6R1.2 CC1=CC=CN1 Z594218440 [1,0,0,0,0,0|1,0,1]=3 86 B6R1.2 CC1=CC=CO1 Z104472456 [1,0,0,0,0,0|1,0,1]=3 87 B6R1.2 CC1=CCNC1 Z1203734447 [1,0,0,0,0,0|1,0,1]=3 88 B6R1.2 CC1=CN=CN1 Z1945707502 [1,0,0,0,0,0|2,0,1]=4 89 B6R1.2 CC1=CN=CO1 Z1198180653 [1,0,0,0,0,0|2,0,1]=4 90 B6R1.2 CC1=CNC=C1 Z1203730789 [1,0,0,0,0,0|1,0,1]=3 91 B6R1.2 CC1=CNN=C1 Z600419582 [1,0,0,0,0,0|2,0,1]=4 92 B6R1.2 CC1=CNN=N1 Z1255358215 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 CC1=COC=N1 Z1198313432 [1,0,0,0,0,0|2,0,1]=4 94 B6R1.2 CC1=NC=CN1 Z104494990 [1,0,0,0,0,0|2,0,1]=4 95 B6R1.2 CC1=NCCN1 Z204020260 [1,0,0,0,0,0|2,0,1]=4 96 B6R1.2 CC1=NCCS1 Z104480256 [1,0,0,0,0,0|2,0,1]=4 97 B6R1.2 CC1=NNC=C1 Z450469310 [1,0,0,0,0,0|2,0,0]=3 98 B6R1.2 CC1=NNC=N1 Z939944658 [1,0,0,0,0,0|3,0,0]=4 99 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,0,0,0|1,0,2]=4 100 B6R1.2 CC1CCNC1 Z729771722 [1,0,0,0,0,0|1,0,2]=4 101 B6R1.2 CN1C=CC=C1 Z57127895 [1,0,0,0,0,0|1,0,2]=4 102 B6R1.2 CN1C=CC=N1 Z336081430 [1,0,0,0,0,0|2,0,1]=4 103 B6R1.2 CN1C=CN=C1 Z104506032 [1,0,0,0,0,0|2,0,1]=4 104 B6R1.2 CN1C=CN=N1 Z1198221873 [1,0,0,0,0,0|3,0,0]=4 105 B6R1.2 ClC1=NNC=C1 Z1255493581 [1,0,0,0,0,0|3,0,0]=4 106 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,0,0,0|2,0,1]=4 107 B6R1.2 NC1=CC=NO1 Z415654518 [1,0,0,0,0,0|3,0,0]=4 108 B6R1.2 NC1=CC=NS1 Z2568737642 [1,0,0,0,0,0|3,0,0]=4 109 B6R1.2 NC1=CSC=C1 Z1962138158 [1,0,0,0,0,0|2,0,1]=4 110 B6R1.2 NC1=NNC=C1 Z240126818 [1,0,0,0,0,0|3,0,0]=4 111 B6R1.2 NC1=NNCC1 Z1569708704 [1,0,0,0,0,0|3,0,0]=4 112 B6R1.2 NC1C=CCC1 Z2679312470 [1,0,0,0,0,0|1,0,1]=3 113 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [1,0,0,0,0,0|1,0,1]=3 114 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,0,0,0|1,0,0]=2 115 B6R1.2 O=C1C=CNN1 Z1198154338 [1,0,0,0,0,0|2,0,0]=3 116 B6R1.2 O=C1C=CSN1 Z1741980421 [1,0,0,0,0,0|2,0,0]=3 117 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,0,0,0|1,0,1]=3 118 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,0,0,0|1,0,1]=3 119 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,0,0,0|2,0,0]=3 120 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,0,0,0|1,0,1]=3 121 B6R1.2 O=C1NC=CN1 Z1198148260 [1,0,0,0,0,0|2,0,1]=4 122 B6R1.2 O=C1NC=CS1 Z445210514 [1,0,0,0,0,0|2,0,1]=4 123 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,0,0,0|2,0,1]=4 124 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,0,0,0|2,0,1]=4 125 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,0,0,0|2,0,1]=4 126 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,0,0,0|2,0,1]=4 127 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,0,0,0|1,0,2]=4 128 B6R1.2 OC1=NOC=C1 Z1255501207 [1,0,0,0,0,0|2,0,1]=4 129 B6R1.2 OC1C=CCC1 Z1255485846 [1,0,0,0,0,0|0,0,2]=3 130 B8R1.1 CC1=CC(=CS1)C=O Z1198175165 [0,1,0,0,0,0|1,0,1]=3 131 B8R1.1 CC1=CC(=NO1)C#N Z1201624959 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.1 CC1=CC(=NO1)C=O Z1162446008 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.1 CC1=CC(=NO1)CCl Z90122430 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.1 CC1=CC=C(N1)C=O Z1198176668 [0,1,0,0,0,0|1,0,2]=4 135 B8R1.1 CC1=CC=C(O1)C=O Z56899216 [0,1,0,0,0,0|1,0,2]=4 136 B8R1.1 CC1=CC=C(S1)C=O Z104478048 [0,1,0,0,0,0|1,0,2]=4 137 B8R1.1 CC1=CN=C(O1)C=O Z1198163538 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.1 CC1=CN=C(S1)C=O Z1037606518 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.1 CC1=CNC(=N1)C=O Z1198166211 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.1 CC1=COC(=C1)C=O Z1255374618 [0,1,0,0,0,0|1,0,1]=3 141 B8R1.1 CC1=COC(=N1)C=O Z1198279988 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.1 CC1=CSC(=C1)C=O Z1255423820 [0,1,0,0,0,0|1,0,1]=3 143 B8R1.1 CC1=CSC(=C1)CN Z2235810231 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.1 CC1=CSC(=N1)C=O Z1037606426 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.1 CC1=NC(=CN1)C=O Z1013690328 [0,1,0,0,0,0|2,0,1]=4 146 B8R1.1 CC1=NC(=CO1)C=O Z1162445877 [0,1,0,0,0,0|2,0,1]=4 147 B8R1.1 CC1=NC(=CS1)C=O Z90662164 [0,1,0,0,0,0|2,0,1]=4 148 B8R1.1 CC1=NC=C(O1)C=O Z1198169811 [0,1,0,0,0,0|2,0,1]=4 149 B8R1.1 CC1=NC=C(S1)C=O Z425450926 [0,1,0,0,0,0|2,0,1]=4 150 B8R1.1 CC1=NNC(=C1)C=O Z275128658 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.1 CC1=NOC(=C1)C=O Z1079442828 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.1 CC1=NOC(=C1)CCl Z119990894 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.1 CC1=NOC(=C1)CO Z431951966 [0,1,0,0,0,0|2,0,1]=4 154 B8R1.1 CC1=NSC(=C1)C=O Z1079104480 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.1 CC1CCC(C1)C=O Z1268606446 [0,1,0,0,0,0|0,0,3]=4 156 B8R1.1 CCC1=CC(=CS1)Br Z1255374735 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.1 CCC1=CC(=NN1)O Z1198163105 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [0,1,0,0,0,0|2,0,1]=4 159 B8R1.1 CCC1=CSC(=O)N1 Z916925862 [0,1,0,0,0,0|2,0,1]=4 160 B8R1.1 CCC1=NNC(=C1)N Z360168062 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.1 CCC1=NOC(=C1)N Z360168622 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,0,0,0|1,0,1]=3 163 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,1,0,0,0,0|1,0,2]=4 164 B8R1.1 CN1C=C(C=N1)C=O Z99601138 [0,1,0,0,0,0|2,0,1]=4 165 B8R1.1 CN1C=C(N=N1)C=O Z1013717706 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.1 CN1C=CC(=C1)C=O Z1198160553 [0,1,0,0,0,0|1,0,2]=4 167 B8R1.1 CN1C=NC(=C1)C=O Z1201622215 [0,1,0,0,0,0|2,0,1]=4 168 B8R1.1 CNC1=NC(=O)CS1 Z1203731442 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.1 CNC1=NOC(=C1)C Z3069017324 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.1 COC1=CC(=NN1)C Z1813157463 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,1,0,0,0,0|0,0,0]=1 172 B8R1.1 COC1=CC(=O)NC1 Z1203730872 [0,1,0,0,0,0|1,0,0]=2 173 B8R1.1 COC1=NNC(=C1)N Z2658869770 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.1 COC1=NSC(=C1)N Z3004727765 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,1,0,0,0,0|1,0,2]=4 176 B8R1.1 CSC1=NC(=O)CN1 Z2602503120 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.1 CSC1=NC(=O)NN1 Z1799834383 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.1 NCC1=CC(=CN1)Br Z1278621610 [0,1,0,0,0,0|2,0,1]=4 179 B8R1.1 NCC1=CC(=CS1)Br Z234895215 [0,1,0,0,0,0|2,0,1]=4 180 B8R1.1 NCC1=CSC(=C1)Br Z234896703 [0,1,0,0,0,0|2,0,1]=4 181 B8R1.1 NCC1=CSC(=O)N1 Z1434233458 [0,1,0,0,0,0|2,0,1]=4 182 B8R1.1 NCC1=NC(=O)NN1 Z1324055645 [0,1,0,0,0,0|3,0,0]=4 183 B8R1.1 NCC1=NC(=O)ON1 Z1497158708 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,0,0,0|1,0,1]=3 185 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,0,0,0|1,0,1]=3 186 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,1,0,0,0,0|2,0,1]=4 187 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,0,0,0|1,0,2]=4 188 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,1,0,0,0,0|2,0,1]=4 189 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,1,0,0,0,0|2,0,1]=4 190 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,1,0,0,0,0|2,0,1]=4 191 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,1,0,0,0,0|1,0,0]=2 192 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,0,0,0|1,0,2]=4 193 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,0,0,0|1,0,1]=3 194 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,0,0,0|1,0,1]=3 195 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,1,0,0,0,0|2,0,1]=4 197 B8R1.1 O=CC1=CC(=CN1)I Z1183442838 [0,1,0,0,0,0|2,0,1]=4 198 B8R1.1 O=CC1=CC(=CO1)Br Z898215000 [0,1,0,0,0,0|2,0,1]=4 199 B8R1.1 O=CC1=CC(=CS1)Br Z104487482 [0,1,0,0,0,0|2,0,1]=4 200 B8R1.1 O=CC1=CC(=CS1)Cl Z1198313989 [0,1,0,0,0,0|2,0,1]=4 201 B8R1.1 O=CC1=CC(=CS1)I Z1269222755 [0,1,0,0,0,0|2,0,1]=4 202 B8R1.1 O=CC1=CNC(=C1)Br Z1255492158 [0,1,0,0,0,0|2,0,1]=4 203 B8R1.1 O=CC1=CSC(=C1)Br Z255102440 [0,1,0,0,0,0|2,0,1]=4 204 B8R1.1 O=CC1=CSC(=C1)Cl Z1255367581 [0,1,0,0,0,0|2,0,1]=4 205 B8R1.1 OCC1=CC(=CS1)Br Z362636152 [0,1,0,0,0,0|2,0,1]=4 206 B8R1.1 OCC1=CSC(=C1)Br Z431952558 [0,1,0,0,0,0|2,0,1]=4 207 B8R1.1 OCC1=NNC(=C1)O Z1198176676 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.18 CC1=C(NC(=O)N1)C Z147309784 [0,1,0,0,0,0|2,0,1]=4 209 B8R1.18 CC1=C(SC(=O)N1)C Z409413538 [0,1,0,0,0,0|2,0,1]=4 210 B8R1.18 CC1=CC(=C(S1)Br)C Z1255397918 [0,1,0,0,0,0|2,0,1]=4 211 B8R1.18 CC1=CC(=C(S1)C)Br Z1198655269 [0,1,0,0,0,0|2,0,1]=4 212 B8R1.18 CC1=CC(=C(S1)C)I Z1347205942 [0,1,0,0,0,0|2,0,1]=4 213 B8R1.18 CC1=CC(=C(S1)C)N Z3013884071 [0,1,0,0,0,0|2,0,1]=4 214 B8R1.18 CC1=CC(=NN1C)C Z1201023055 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.18 CC1=CC(=NN1C)N Z995041200 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.18 CC1=CC(=O)NN1C Z56822474 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.18 CC1=CN(C(=O)N1)C Z1486021538 [0,1,0,0,0,0|2,0,1]=4 218 B8R1.18 CC1=NN(C(=C1)N)C Z55423092 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.18 CC1=NN(C(=O)C1)C Z50146885 [0,1,0,0,0,0|2,0,1]=4 220 B8R1.18 CC1CC(=NN1C)N Z1623872195 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,1,0,0,0,0|1,0,1]=3 223 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,1,0,0,0,0|1,0,1]=3 224 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,0,0,0|1,0,1]=3 225 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.18 CC1SC(=NC1=O)N Z57104427 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.18 CN1CC(=NC1=O)N Z1203653661 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,1,0,0,0,0|2,0,0]=3 230 B8R1.18 CN1NC(=O)C=C1N Z361888728 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,1,0,0,0,0|3,0,0]=4 232 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.50 CC1=C(C(=N)ON1)Br Z1266854949 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.50 CC1=C(C(=NN1)N)I Z367451156 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.50 CC1=C(C(=NO1)N)C Z1198162059 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,1,0,0,0,0|0,0,0]=1 237 B8R1.50 CC1=C(C(=O)NN1)C Z1198151644 [0,1,0,0,0,0|2,0,0]=3 238 B8R1.50 CC1=C(C(=O)NN1)N Z2205958785 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,0,0,0|1,0,0]=2 240 B8R1.50 CC1=CNC(=C1C)C Z1162450215 [0,1,0,0,0,0|2,0,1]=4 241 B8R1.50 CC1=NNC(=C1Br)C Z275169976 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.50 CC1=NNC(=C1Br)N Z56769169 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.50 CC1=NNC(=C1C)C Z50145985 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.50 CC1=NNC(=C1C)N Z385386488 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.50 CC1=NNC(=C1Cl)C Z3020185376 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.50 CC1=NNC(=C1N)C Z56761496 [0,1,0,0,0,0|3,0,0]=4 247 B8R1.50 CC1=NNC(=C1O)C Z1255485863 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.50 CC1=NNC(=O)N1C Z1504678222 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.50 CC1=NOC(=C1Br)C Z372796498 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.50 CC1=NSC(=C1Cl)N Z1198261559 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.50 CC1=NSC(=C1I)C Z1783198803 [0,1,0,0,0,0|3,0,0]=4 252 B8R1.50 CC1=NSC(=C1N)Br Z4607122944 [0,1,0,0,0,0|3,0,0]=4 253 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,1,0,0,0,0|1,0,1]=3 254 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,0,0,0|1,0,2]=4 255 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,1,0,0,0,0|2,0,1]=4 256 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,0,0,0|1,0,2]=4 257 B8R1.50 CN1C(=N)NCC1=O Z2526439738 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.50 CN1C(=O)CN=C1S Z3219957196 [0,1,0,0,0,0|3,0,0]=4 259 B8R1.50 CN1C(=O)CNC1=O Z54599682 [0,1,0,0,0,0|3,0,0]=4 260 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.50 CN1CCN(C1=N)C Z3847494837 [0,1,0,0,0,0|3,0,0]=4 262 B8R1.50 CN1CCN(C1=O)C Z56755571 [0,1,0,0,0,0|3,0,0]=4 263 B8R1.50 NN1C(=O)CSC1=S Z56926530 [0,1,0,0,0,0|3,0,0]=4 264 B8R1.50 O=C1CCC(=O)N1O Z56933833 [0,1,0,0,0,0|2,0,0]=3 265 B8R1.50 O=C1OCC(=C1Cl)Cl Z1198160971 [0,1,0,0,0,0|2,0,0]=3 266 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,1,0,0,0,0|1,0,1]=3 267 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,1,0,0,0,0|1,0,1]=3 268 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,1,0,0,0,0|2,0,1]=4 269 B8R1.51 CC1=NS(=O)(=O)CC1 Z2831873328 [0,1,0,0,0,0|2,0,0]=3 270 B6R0.1 CCC(=O)COC Z825742020 [0,0,1,0,0,0|1,0,1]=3 271 B6R0.1 CCCC(=O)CN Z1203579017 [0,0,1,0,0,0|1,0,2]=4 272 B6R0.1 CCNC(=O)CN Z54747476 [0,0,1,0,0,0|2,0,1]=4 273 B6R0.1 CCNC(=O)CO Z431952024 [0,0,1,0,0,0|2,0,1]=4 274 B6R0.1 CCOC(=N)CC Z3033961910 [0,0,1,0,0,0|2,0,1]=4 275 B6R0.1 CCOC(=O)CN Z594038186 [0,0,1,0,0,0|2,0,1]=4 276 B6R0.1 CCOC(=O)CO Z385458066 [0,0,1,0,0,0|2,0,1]=4 277 B6R0.1 CNCC(=O)NC Z57981096 [0,0,1,0,0,0|2,0,1]=4 278 B6R0.1 CNCC(=O)OC Z89264972 [0,0,1,0,0,0|2,0,1]=4 279 B6R0.1 CONC(=O)CCl Z234816732 [0,0,1,0,0,0|3,0,0]=4 280 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,1,0,0,0|2,0,0]=3 281 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,1,0,0,0|1,0,2]=4 282 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,1,0,0,0|1,0,0]=2 283 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,1,0,0,0|1,0,0]=2 284 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,1,0,0,0|1,0,0]=2 285 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,1,0,0,0|1,0,2]=4 286 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,0,1,0,0,0|3,0,0]=4 287 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,1,0,0,0|3,0,0]=4 288 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,1,0,0,0|1,0,2]=4 289 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,1,0,0,0|1,0,2]=4 290 B6R0.2 CC(C)NC(=O)N Z56887677 [0,0,1,0,0,0|2,0,1]=4 291 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,1,0,0,0|2,0,1]=4 292 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,1,0,0,0|2,0,1]=4 293 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,0,1,0,0,0|3,0,0]=4 294 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,0,1,0,0,0|3,0,0]=4 295 B6R0.4 C#CCCC(=O)O Z295890062 [0,0,1,0,0,0|1,0,2]=4 296 B6R0.4 C=CCCC(=O)C Z406376894 [0,0,1,0,0,0|0,0,2]=3 297 B6R0.4 C=CCCC(=O)O Z995028722 [0,0,1,0,0,0|1,0,1]=3 298 B6R0.4 C=CCCC(C)N Z3681295487 [0,0,1,0,0,0|2,0,1]=4 299 B6R0.4 C=CCNC(=O)C Z32064466 [0,0,1,0,0,0|1,0,2]=4 300 B6R0.4 C=CCNC(=O)N Z56904662 [0,0,1,0,0,0|2,0,1]=4 301 B6R0.4 CC(=O)CCC#N Z1251352415 [0,0,1,0,0,0|1,0,2]=4 302 B6R0.4 CCCCC(=N)N Z1723418909 [0,0,1,0,0,0|2,0,1]=4 303 B6R0.4 CCCCC(=O)N Z104476278 [0,0,1,0,0,0|1,0,1]=3 304 B6R0.4 CCCCC(=O)O Z104473312 [0,0,1,0,0,0|1,0,1]=3 305 B6R0.4 CCCNC(=O)C Z33030314 [0,0,1,0,0,0|1,0,2]=4 306 B6R0.4 CCCOC(=O)N Z1198148877 [0,0,1,0,0,0|2,0,1]=4 307 B6R0.4 CCNCC(=O)N Z1459435506 [0,0,1,0,0,0|2,0,1]=4 308 B6R0.4 CCNCC(=O)O Z744593094 [0,0,1,0,0,0|2,0,1]=4 309 B6R0.4 CCOCC(=O)O Z104495232 [0,0,1,0,0,0|2,0,1]=4 310 B6R0.4 CNCCC(=O)C Z1536943318 [0,0,1,0,0,0|1,0,1]=3 311 B6R0.4 COCCC(=N)N Z1592042674 [0,0,1,0,0,0|3,0,0]=4 312 B6R0.4 COCCC(=O)C Z362119682 [0,0,1,0,0,0|1,0,1]=3 313 B6R0.4 COCCC(=O)N Z394696458 [0,0,1,0,0,0|2,0,0]=3 314 B6R0.4 COCCC(=O)O Z285184634 [0,0,1,0,0,0|2,0,0]=3 315 B6R0.4 CSCCC(=N)N Z1266823407 [0,0,1,0,0,0|3,0,0]=4 316 B6R0.4 CSCCC(=O)O Z54719251 [0,0,1,0,0,0|2,0,0]=3 317 B6R0.4 N#CCCC(=O)N Z57160408 [0,0,1,0,0,0|2,0,1]=4 318 B6R0.4 NC(=O)CCCO Z1203578394 [0,0,1,0,0,0|2,0,1]=4 319 B6R0.4 NCCCC(=O)N Z398513418 [0,0,1,0,0,0|2,0,1]=4 320 B6R0.4 NCCCC(=O)O Z104475620 [0,0,1,0,0,0|2,0,1]=4 321 B6R0.4 O=C(O)CCCS Z147642510 [0,0,1,0,0,0|2,0,1]=4 322 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,1,0,0|1,0,2]=4 323 B6R1.4 CC1CCC1N Z2082999653 [0,0,0,0,1,0|1,0,2]=4 324 B8R1.3 CC1=CC=C(C=C1)C Z199056432 [0,0,0,0,0,1|1,0,2]=4 325 B8R1.3 CC1=CC=C(C=C1)Cl Z56924546 [0,0,0,0,0,1|1,0,2]=4 326 B8R1.3 CC1=CC=C(C=C1)F Z104473648 [0,0,0,0,0,1|1,0,2]=4 327 B8R1.3 CC1=CC=C(C=C1)N Z57127875 [0,0,0,0,0,1|1,0,2]=4 328 B8R1.3 CC1=CC=C(C=C1)O Z104473818 [0,0,0,0,0,1|0,0,3]=4 329 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,0,0,0,0,1|1,0,1]=3 330 B8R1.3 CC1=CN=C(C=C1)Br Z415645054 [0,0,0,0,0,1|1,0,2]=4 331 B8R1.3 CC1=CN=C(C=C1)N Z104475374 [0,0,0,0,0,1|1,0,2]=4 332 B8R1.3 CC1=CN=C(C=C1)O Z1255523405 [0,0,0,0,0,1|0,0,3]=4 333 B8R1.3 CC1=CN=C(C=C1)S Z271138132 [0,0,0,0,0,1|0,1,2]=4 334 B8R1.3 CC1=CN=C(N=C1)Br Z1098236936 [0,0,0,0,0,1|2,0,1]=4 335 B8R1.3 CC1=CN=C(N=C1)Cl Z1098236276 [0,0,0,0,0,1|2,0,1]=4 336 B8R1.3 CC1=CN=C(N=C1)F Z1198266630 [0,0,0,0,0,1|2,0,1]=4 337 B8R1.3 CC1=CN=C(N=C1)N Z801565598 [0,0,0,0,0,1|2,0,1]=4 338 B8R1.3 CC1=CN=C(N=C1)S Z1868163321 [0,0,0,0,0,1|1,1,1]=4 339 B8R1.3 CC1=CNC(=O)N=C1 Z1098236277 [0,0,0,0,0,1|1,0,1]=3 340 B8R1.3 CC1=NC=C(C=C1)N Z425834586 [0,0,0,0,0,1|1,0,2]=4 341 B8R1.3 CC1=NC=C(C=C1)O Z838078132 [0,0,0,0,0,1|0,0,3]=4 342 B8R1.3 CC1=NC=C(N=C1)Br Z1198181968 [0,0,0,0,0,1|2,0,1]=4 343 B8R1.3 CC1=NC=C(N=C1)Cl Z1198149378 [0,0,0,0,0,1|2,0,1]=4 344 B8R1.3 CC1=NC=C(N=C1)N Z1198177429 [0,0,0,0,0,1|2,0,1]=4 345 B8R1.3 CC1=NN=C(C=C1)Br Z802822146 [0,0,0,0,0,1|3,0,0]=4 346 B8R1.3 CC1=NN=C(C=C1)Cl Z432063474 [0,0,0,0,0,1|3,0,0]=4 347 B8R1.3 CC1=NN=C(C=C1)F Z1251352426 [0,0,0,0,0,1|3,0,0]=4 348 B8R1.3 CC1=NN=C(C=C1)I Z1209436744 [0,0,0,0,0,1|3,0,0]=4 349 B8R1.3 CC1=NN=C(N=C1)N Z1203578846 [0,0,0,0,0,1|3,0,0]=4 350 B8R1.3 CC1=NNC(=O)C=C1 Z1201023044 [0,0,0,0,0,1|2,0,0]=3 351 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,0,0,0,0,1|1,0,0]=2 352 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,0,0,0,0,1|0,0,2]=3 353 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,0,0,0,0,1|0,0,2]=3 354 B8R1.3 CN1CC=C(CC1)Br Z4896525382 [0,0,0,0,0,1|2,0,0]=3 355 B8R1.3 NC1=NNC(=O)C=C1 Z1723418911 [0,0,0,0,0,1|3,0,0]=4 356 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,0,0,0,0,1|1,0,2]=4 357 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,0,0,0,0,1|1,0,2]=4 358 B8R1.3 O=C1C=CC(=CN1)Br Z271004874 [0,0,0,0,0,1|1,0,2]=4 359 B8R1.3 O=C1C=CC(=O)C=C1 Z104474802 [0,0,0,0,0,1|1,0,2]=4 360 B8R1.3 O=C1C=CC(=O)NN1 Z57032544 [0,0,0,0,0,1|3,0,0]=4 361 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,0,0,0,0,1|1,0,1]=3 362 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,0,0,0,0,1|1,0,1]=3 363 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [0,0,0,0,0,1|2,0,1]=4 364 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [0,0,0,0,0,1|2,0,1]=4 365 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,0,0,1|2,0,1]=4 366 B8R1.3 O=C1N=CC(=CN1)I Z2471547918 [0,0,0,0,0,1|2,0,1]=4 367 B8R1.4 CC1=CC(=CC=C1)F Z104474044 [0,0,0,0,0,1|1,0,2]=4 368 B8R1.4 CC1=CC(=CC=C1)N Z57127904 [0,0,0,0,0,1|1,0,2]=4 369 B8R1.4 CC1=CC(=CC=C1)O Z104473820 [0,0,0,0,0,1|0,0,3]=4 370 B8R1.4 CC1=CC(=CN=C1)Br Z1255461727 [0,0,0,0,0,1|1,0,2]=4 371 B8R1.4 CC1=CC(=NC=C1)Br Z851792570 [0,0,0,0,0,1|1,0,2]=4 372 B8R1.4 CC1=CC(=NC=C1)N Z203045032 [0,0,0,0,0,1|1,0,2]=4 373 B8R1.4 CC1=CC(=NC=C1)S Z851791760 [0,0,0,0,0,1|0,1,2]=4 374 B8R1.4 CC1=CC(=NN=C1)Cl Z1201625142 [0,0,0,0,0,1|2,0,1]=4 375 B8R1.4 CC1=CC(=NN=C1)N Z1198278271 [0,0,0,0,0,1|2,0,1]=4 376 B8R1.4 CC1=CC(=NN=C1)O Z1198278270 [0,0,0,0,0,1|1,0,2]=4 377 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,0,0,0,0,1|0,0,0]=1 378 B8R1.4 CC1=CC(=O)NC=C1 Z1065655286 [0,0,0,0,0,1|0,0,2]=3 379 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,0,0,0,0,1|1,0,1]=3 380 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,0,0,0,0,1|0,0,2]=3 381 B8R1.4 CC1=CC(CNC1)C Z1966484556 [0,0,0,0,0,1|1,0,1]=3 382 B8R1.4 CC1=CC=CC(=C1)C Z199056430 [0,0,0,0,0,1|1,0,2]=4 383 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [0,0,0,0,0,1|1,0,2]=4 384 B8R1.4 CC1=NC(=O)C=CN1 Z1269638492 [0,0,0,0,0,1|1,0,2]=4 385 B8R1.4 CC1=NC(=O)NC=C1 Z1065584884 [0,0,0,0,0,1|1,0,2]=4 386 B8R1.4 CC1=NC=CC(=C1)[S-] Z3014227847 [0,0,0,0,0,1|0,1,2]=4 387 B8R1.4 CC1=NC=NC(=C1)Br Z787349642 [0,0,0,0,0,1|2,0,1]=4 388 B8R1.4 CC1=NC=NC(=C1)Cl Z787326738 [0,0,0,0,0,1|2,0,1]=4 389 B8R1.4 CC1=NC=NC(=C1)N Z787349196 [0,0,0,0,0,1|2,0,1]=4 390 B8R1.4 CC1=NC=NC(=C1)O Z314661966 [0,0,0,0,0,1|1,0,2]=4 391 B8R1.4 CC1=NN=CC(=C1)N Z2462827969 [0,0,0,0,0,1|2,0,1]=4 392 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,0,0,0,0,1|0,0,2]=3 393 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,0,0,0,0,1|0,0,2]=3 394 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,0,0,0,0,1|1,0,2]=4 395 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,0,0,1|0,0,2]=3 396 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,0,0,0,1|1,0,1]=3 397 B8R1.4 CC1CCN=C(N1)N Z3512513301 [0,0,0,0,0,1|2,0,1]=4 398 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,0,0,1|0,0,2]=3 399 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,0,0,0,0,1|1,0,1]=3 400 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,0,0,0,0,1|1,0,2]=4 401 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,0,0,0,0,1|1,0,1]=3 402 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,0,0,0,0,1|1,0,0]=2 403 B8R1.4 NC1=CC(=O)NC=N1 Z800191892 [0,0,0,0,0,1|2,0,1]=4 404 B8R1.4 NC1=CC(=O)NN=C1 Z1198330189 [0,0,0,0,0,1|2,0,1]=4 405 B8R1.4 O=C1C=C(C=NN1)O Z1198169122 [0,0,0,0,0,1|2,0,1]=4 406 B8R1.4 O=C1C=COC(=C1)O Z1198306031 [0,0,0,0,0,1|1,0,2]=4 407 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,0,0,0,0,1|1,0,2]=4 408 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,0,0,0,0,1|2,0,0]=3 409 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,0,0,0,0,1|2,0,0]=3 410 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,0,0,0,0,1|2,0,0]=3 411 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,0,0,0,0,1|2,0,0]=3 412 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,0,0,0,0,1|2,0,0]=3 413 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [0,0,0,0,0,1|1,0,1]=3 414 B8R1.4 O=C1NCNC(=O)N1 Z147642476 [0,0,0,0,0,1|3,0,0]=4 415 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,1,0,0,0|1,0,0]=3 416 B5R0.1 C=C(C)CCN Z1203582475 [1,0,1,0,0,0|1,0,0]=3 417 B5R0.1 CC(=CC#N)C Z851014248 [1,0,1,0,0,0|1,0,1]=4 418 B5R0.1 CC(=CCN)C Z1827897919 [1,0,1,0,0,0|1,0,1]=4 419 B5R0.1 CC(=O)CCO Z906206900 [1,0,1,0,0,0|1,0,1]=4 420 B5R0.1 CC(C)NC=O Z1201617634 [1,0,1,0,0,0|1,0,1]=4 421 B5R0.1 CCCC(=N)N Z1198394172 [1,0,1,0,0,0|2,0,0]=4 422 B5R0.1 CCCC(=O)N Z33546461 [1,0,1,0,0,0|1,0,0]=3 423 B5R0.1 CCCC(=O)O Z104495380 [1,0,1,0,0,0|1,0,0]=3 424 B5R0.1 CCOC(=O)N Z33546369 [1,0,1,0,0,0|2,0,0]=4 425 B5R0.1 CNCC(=O)N Z415678308 [1,0,1,0,0,0|2,0,0]=4 426 B5R0.1 CNCC(=O)O Z104480276 [1,0,1,0,0,0|2,0,0]=4 427 B5R0.1 COCC(=O)N Z33546778 [1,0,1,0,0,0|2,0,0]=4 428 B5R0.1 COCC(=O)O Z104477404 [1,0,1,0,0,0|2,0,0]=4 429 B5R0.1 CSCC(=O)N Z33545668 [1,0,1,0,0,0|2,0,0]=4 430 B5R0.1 NC(=O)CCO Z431951940 [1,0,1,0,0,0|2,0,0]=4 431 B5R0.1 NCCC(=O)N Z415728050 [1,0,1,0,0,0|2,0,0]=4 432 B5R0.1 NCCC(=O)O Z57127544 [1,0,1,0,0,0|2,0,0]=4 433 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,1,0,0,0|2,0,0]=4 434 B5R0.1 O=C(O)CCCl Z203045320 [1,0,1,0,0,0|2,0,0]=4 435 B5R0.1 O=C(O)CCS Z104474322 [1,0,1,0,0,0|2,0,0]=4 436 B5R0.2 C/C=C/CCN Z1268152372 [1,0,1,0,0,0|1,0,1]=4 437 B5R0.2 C/C=C/OCC Z281777810 [1,0,1,0,0,0|1,0,0]=3 438 B5R0.2 C=C/C=C/CN Z3270208113 [1,0,1,0,0,0|1,0,1]=4 439 B5R0.2 C=CCCC#N Z1219746591 [1,0,1,0,0,0|1,0,1]=4 440 B5R0.2 C=CCCCN Z993058434 [1,0,1,0,0,0|1,0,1]=4 441 B5R0.2 C=CCNCC Z2044769224 [1,0,1,0,0,0|1,0,1]=4 442 B5R0.2 CCCCC=O Z104472992 [1,0,1,0,0,0|0,0,1]=3 443 B5R0.3 CCC(=O)CC Z104476878 [1,0,1,0,0,0|0,0,1]=3 444 B5R0.3 CCC(=O)CN Z1203579016 [1,0,1,0,0,0|1,0,1]=4 445 B5R0.3 CCC(=O)NN Z56886418 [1,0,1,0,0,0|2,0,0]=4 446 B5R0.3 CCN(C)C=O Z1258520870 [1,0,1,0,0,0|1,0,0]=3 447 B5R0.3 CCN(C)N=O Z1198147516 [1,0,1,0,0,0|2,0,0]=4 448 B5R0.3 CNC(=O)CCl Z56891219 [1,0,1,0,0,0|2,0,0]=4 449 B5R0.3 CNC(=O)CN Z57981102 [1,0,1,0,0,0|2,0,0]=4 450 B5R0.3 CNC(=O)CO Z431952700 [1,0,1,0,0,0|2,0,0]=4 451 B5R0.3 CNC(=O)CS Z1203730878 [1,0,1,0,0,0|2,0,0]=4 452 B5R0.3 COC(=O)CN Z57042020 [1,0,1,0,0,0|2,0,0]=4 453 B5R1.1 C1=CCNC1 Z2306624771 [2,0,0,0,0,0|1,0,1]=4 454 B5R1.1 C1=CNC=C1 Z104479036 [2,0,0,0,0,0|1,0,1]=4 455 B5R1.1 C1=CNN=C1 Z104507728 [2,0,0,0,0,0|2,0,0]=4 456 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,1,1,0,0,0|2,0,0]=4 457 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,1,0,0,0|0,0,0]=2 458 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,1,0,0,0|0,0,1]=3 459 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,1,1,0,0,0|0,0,2]=4 460 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,1,1,0,0,0|1,0,1]=4 461 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,1,1,0,0,0|1,0,1]=4 462 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,1,0,0,0|1,0,0]=3 463 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,1,1,0,0,0|1,0,0]=3 464 B7R0.3 CCC(=O)NCCN Z1455674775 [0,1,1,0,0,0|1,0,1]=4 465 B7R0.3 CCCCC(=O)CC Z406378226 [0,1,1,0,0,0|0,0,2]=4 466 B7R0.3 CCCNC(=O)CC Z33030426 [0,1,1,0,0,0|0,0,2]=4 467 B7R0.5 C/C(=C\CO)/C(C)C Z1896171007 [0,1,1,0,0,0|0,0,2]=4 468 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,1,1,0,0,0|1,0,1]=4 469 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,1,1,0,0,0|1,0,1]=4 470 B7R0.5 COCC(=O)C(C)C Z825742022 [0,1,1,0,0,0|1,0,1]=4 471 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,1,1,0,0,0|0,0,0]=2 472 B7R0.7 C=C=CC(=O)OCC Z1255488905 [0,1,1,0,0,0|0,0,2]=4 473 B7R0.7 CCNC(=O)CCCl Z239813542 [0,1,1,0,0,0|1,0,1]=4 474 B7R0.7 CCNC(=O)CCN Z1449756826 [0,1,1,0,0,0|1,0,1]=4 475 B7R0.7 CCNC(=O)CCO Z975909368 [0,1,1,0,0,0|1,0,1]=4 476 B7R0.7 CCNC(=O)CNC Z594038090 [0,1,1,0,0,0|1,0,1]=4 477 B7R0.7 CCOC(=O)CNC Z1262237263 [0,1,1,0,0,0|1,0,1]=4 478 B7R0.7 CCOC(=O)OCC Z104482516 [0,1,1,0,0,0|1,0,1]=4 479 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,1,1,0,0,0|0,0,1]=3 480 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,1,1,0,0,0|0,0,2]=4 481 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,1,1,0,0,0|1,0,1]=4 482 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,1,0,0,0|1,0,0]=3 483 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,1,0,0,0|1,0,1]=4 484 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,1,0,0,0|1,0,1]=4 485 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,1,1,0,0,0|1,0,1]=4 486 B7R0.4 C=CCNCC(=O)O Z803145546 [0,1,1,0,0,0|1,0,1]=4 487 B7R0.4 C=CCOCC(=O)O Z362807794 [0,1,1,0,0,0|1,0,1]=4 488 B7R0.4 C=CCSCC(=O)O Z149151274 [0,1,1,0,0,0|1,0,1]=4 489 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,1,1,0,0,0|1,0,1]=4 490 B7R0.4 CCCCCC(=O)O Z104503532 [0,1,1,0,0,0|1,0,1]=4 491 B7R0.4 CCCCOC(=O)N Z104476286 [0,1,1,0,0,0|1,0,1]=4 492 B7R0.4 CCCNCC(=O)N Z2211231296 [0,1,1,0,0,0|1,0,1]=4 493 B7R0.4 CCCNCC(=O)O Z744582718 [0,1,1,0,0,0|1,0,1]=4 494 B7R0.4 CCCOCC(=O)O Z406677750 [0,1,1,0,0,0|1,0,1]=4 495 B7R0.4 CCCSCC(=O)C Z447929234 [0,1,1,0,0,0|0,0,2]=4 496 B7R0.4 CCCSCC(=O)O Z228425458 [0,1,1,0,0,0|1,0,1]=4 497 B7R0.4 CCNCCC(=O)N Z2681234913 [0,1,1,0,0,0|1,0,1]=4 498 B7R0.4 CCNCCC(=O)O Z1869802098 [0,1,1,0,0,0|1,0,1]=4 499 B7R0.4 CCOCCC(=O)O Z316258938 [0,1,1,0,0,0|1,0,1]=4 500 B7R0.4 CCSCCC(=O)O Z197206046 [0,1,1,0,0,0|1,0,1]=4 501 B7R0.4 CNCCCC(=O)O Z57043473 [0,1,1,0,0,0|1,0,1]=4 502 B7R0.4 CNCCNC(=O)C Z1456777974 [0,1,1,0,0,0|1,0,1]=4 503 B7R0.4 COCCCC(=O)C Z406376722 [0,1,1,0,0,0|0,0,2]=4 504 B7R0.4 COCCCC(=O)O Z316258912 [0,1,1,0,0,0|1,0,1]=4 505 B7R0.4 COCCNC(=O)N Z56904572 [0,1,1,0,0,0|2,0,0]=4 506 B7R0.4 CSCCCC(=O)O Z54602911 [0,1,1,0,0,0|1,0,1]=4 507 B7R0.4 NCCCCC(=O)N Z1639630947 [0,1,1,0,0,0|1,0,1]=4 508 B7R0.4 NCCCCC(=O)O Z271111992 [0,1,1,0,0,0|1,0,1]=4 509 B7R0.4 O=C(O)CCCCBr Z104479696 [0,1,1,0,0,0|1,0,1]=4 510 B7R0.4 O=C(O)CCCCS Z808230828 [0,1,1,0,0,0|1,0,1]=4 511 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,1,1,0,0,0|1,0,1]=4 512 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,1,1,0,0,0|1,0,0]=3 513 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,1,1,0,0,0|2,0,0]=4 514 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,1,1,0,0,0|0,0,2]=4 515 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,1,1,0,0,0|1,0,1]=4 516 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,1,1,0,0,0|1,0,1]=4 517 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,1,1,0,0,0|1,0,1]=4 518 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,1,1,0,0,0|1,0,1]=4 519 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,1,1,0,0,0|2,0,0]=4 520 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,1,1,0,0,0|2,0,0]=4 521 B7R1.1 CCC1=CC=CO1 Z640169748 [1,1,0,0,0,0|1,0,1]=4 522 B7R1.1 CCC1=NNC=C1 Z1238571110 [1,1,0,0,0,0|2,0,0]=4 523 B7R1.1 CNC1=NOC=C1 Z2489381644 [1,1,0,0,0,0|2,0,0]=4 524 B7R1.1 COC1=NCCC1 Z147641734 [1,1,0,0,0,0|1,0,1]=4 525 B7R1.1 COC1=NNC=C1 Z2130657375 [1,1,0,0,0,0|2,0,0]=4 526 B7R1.1 COC1=NSC=C1 Z1198333966 [1,1,0,0,0,0|2,0,0]=4 527 B7R1.1 NCC1=CC=CN1 Z976631692 [1,1,0,0,0,0|1,0,1]=4 528 B7R1.1 NCC1=CC=CS1 Z104485908 [1,1,0,0,0,0|1,0,1]=4 529 B7R1.1 NCC1=CC=NO1 Z1964347782 [1,1,0,0,0,0|2,0,0]=4 530 B7R1.1 NCC1=CC=NS1 Z2310716170 [1,1,0,0,0,0|2,0,0]=4 531 B7R1.1 NCC1=CNC=C1 Z1203586194 [1,1,0,0,0,0|1,0,1]=4 532 B7R1.1 NCC1=COC=C1 Z406680098 [1,1,0,0,0,0|1,0,1]=4 533 B7R1.1 NCC1=NOC=C1 Z802903300 [1,1,0,0,0,0|2,0,0]=4 534 B7R1.1 NCC1=NOCC1 Z3217343112 [1,1,0,0,0,0|2,0,0]=4 535 B7R1.1 NCC1C=CCC1 Z2768196818 [1,1,0,0,0,0|0,0,1]=3 536 B7R1.1 O=CC1=CC=CN1 Z104478580 [1,1,0,0,0,0|1,0,1]=4 537 B7R1.1 O=CC1=CC=CO1 Z57161925 [1,1,0,0,0,0|1,0,1]=4 538 B7R1.1 O=CC1=CC=CS1 Z104472120 [1,1,0,0,0,0|1,0,1]=4 539 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,1,0,0,0,0|0,0,1]=3 540 B7R1.1 O=CC1=CCSC1 Z57981092 [1,1,0,0,0,0|1,0,1]=4 541 B7R1.1 O=CC1=CNC=C1 Z1154253206 [1,1,0,0,0,0|1,0,1]=4 542 B7R1.1 O=CC1=COC=C1 Z1065630348 [1,1,0,0,0,0|1,0,1]=4 543 B7R1.1 O=CC1=CSC=C1 Z57887873 [1,1,0,0,0,0|1,0,1]=4 544 B7R1.1 O=CC1=NNC=C1 Z234896951 [1,1,0,0,0,0|2,0,0]=4 545 B7R1.1 OCC1=CC=CO1 Z104472794 [1,1,0,0,0,0|1,0,1]=4 546 B7R1.1 OCC1=CC=CS1 Z104478586 [1,1,0,0,0,0|1,0,1]=4 547 B7R1.1 OCC1=COC=C1 Z397587426 [1,1,0,0,0,0|1,0,1]=4 548 B7R1.1 OCC1=NOC=C1 Z875021162 [1,1,0,0,0,0|2,0,0]=4 549 B7R1.4 C=C1CCOC1=O Z1255438435 [1,1,0,0,0,0|1,0,1]=4 550 B7R1.4 CC1=C(C=CS1)Br Z1201624904 [1,1,0,0,0,0|1,0,1]=4 551 B7R1.4 CC1=C(C=NN1)Cl Z1507502582 [1,1,0,0,0,0|2,0,0]=4 552 B7R1.4 CC1=C(C=NO1)I Z1269175158 [1,1,0,0,0,0|2,0,0]=4 553 B7R1.4 CC1=C(C=NO1)N Z1465461252 [1,1,0,0,0,0|2,0,0]=4 554 B7R1.4 CC1=C(CNC1)C Z1203817906 [1,1,0,0,0,0|1,0,1]=4 555 B7R1.4 CC1=CC=NN1C Z826535916 [1,1,0,0,0,0|2,0,0]=4 556 B7R1.4 CC1=CNC=C1C Z1198162792 [1,1,0,0,0,0|1,0,1]=4 557 B7R1.4 CC1=CSC=C1N Z1492796718 [1,1,0,0,0,0|1,0,1]=4 558 B7R1.4 CC1=NNC=C1N Z600615694 [1,1,0,0,0,0|2,0,0]=4 559 B7R1.4 CC1=NOC=C1N Z2466617876 [1,1,0,0,0,0|2,0,0]=4 560 B7R1.4 CC1=NSC=C1N Z2737427927 [1,1,0,0,0,0|2,0,0]=4 561 B7R1.4 CC1CCCC1=O Z813018382 [1,1,0,0,0,0|0,0,2]=4 562 B7R1.4 CC1CCNC1=O Z1198147219 [1,1,0,0,0,0|1,0,1]=4 563 B7R1.4 CC1NCCC1=O Z2733314209 [1,1,0,0,0,0|1,0,1]=4 564 B7R1.4 CN1CCCC1=O Z104478382 [1,1,0,0,0,0|1,0,1]=4 565 B7R1.4 CN1CCNC1=O Z336079928 [1,1,0,0,0,0|2,0,0]=4 566 B7R1.4 CN1CCSC1=N Z3242405392 [1,1,0,0,0,0|2,0,0]=4 567 B7R1.4 CN1SC=CC1=O Z3227502095 [1,1,0,0,0,0|2,0,0]=4 568 B7R1.4 NC1=CNNC1=O Z2216303144 [1,1,0,0,0,0|2,0,0]=4 569 B7R1.4 NC1CCOC1=O Z56921763 [1,1,0,0,0,0|1,0,1]=4 570 B7R1.4 NC1CCSC1=O Z56922158 [1,1,0,0,0,0|1,0,1]=4 571 B7R1.4 NC1CONC1=O Z336087816 [1,1,0,0,0,0|2,0,0]=4 572 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [1,1,0,0,0,0|1,0,1]=4 573 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [1,1,0,0,0,0|2,0,0]=4 574 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [1,1,0,0,0,0|1,0,1]=4 575 B7R1.4 N[C@H]1CONC1=O Z1201618622 [1,1,0,0,0,0|2,0,0]=4 576 B7R1.4 O=C1CCCC1Cl Z104492966 [1,1,0,0,0,0|0,0,2]=4 577 B7R1.4 O=C1NCCC1F Z1203745843 [1,1,0,0,0,0|1,0,1]=4 578 B7R1.14 CC1(C=CCN1)C Z3477416732 [1,1,0,0,0,0|1,0,1]=4 579 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,0,1,0|0,0,1]=3 580 B7R1.17 CC1(CNC1=O)C Z425427928 [0,1,0,0,1,0|1,0,1]=4 581 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,1,0,0,1,0|0,0,2]=4 582 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,1,0,0,1,0|1,0,1]=4 583 B9R1.1 CC1=CC=C(C=C1)C=O Z104477698 [0,1,0,0,0,1|0,0,2]=4 584 B9R1.1 CC1=CN=C(C=C1)C=O Z1198172069 [0,1,0,0,0,1|0,0,2]=4 585 B9R1.1 CC1=NC=C(C=C1)C=O Z744849420 [0,1,0,0,0,1|0,0,2]=4 586 B9R1.1 CC1=NC=C(C=N1)C=O Z274575088 [0,1,0,0,0,1|1,0,1]=4 587 B9R1.1 CC1=NC=C(N=C1)C=O Z1079442402 [0,1,0,0,0,1|1,0,1]=4 588 B9R1.1 CC1=NN=C(C=C1)C=O Z1198176701 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.1 CCC1CCC(=O)CC1 Z104475572 [0,1,0,0,0,1|0,0,2]=4 590 B9R1.1 COC1=NNC(=O)C=C1 Z1255391084 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.1 CSC1=NNC(=O)C=C1 Z3300726140 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.1 CSC1=NNC(=O)CS1 Z1741839015 [0,1,0,0,0,1|2,0,0]=4 593 B9R1.1 NCC1=NNC(=O)C=C1 Z2230911335 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.1 NCC1CCC(=O)NC1 Z2418414181 [0,1,0,0,0,1|0,0,2]=4 595 B9R1.10 CC1(CCC(=O)CC1)O Z1255440285 [0,1,0,0,0,1|0,0,2]=4 596 B9R1.10 CC1(CCC(=O)NC1)C Z1203731224 [0,1,0,0,0,1|0,0,2]=4 597 B9R1.69 CC1=C(NC(=O)C=C1)N Z3445688575 [0,1,0,0,0,1|0,0,2]=4 598 B9R1.69 CC1=CNC(=O)C(=C1)C Z1203732572 [0,1,0,0,0,1|0,0,2]=4 599 B9R1.69 CC1=CNC(=O)N=C1N Z1741980467 [0,1,0,0,0,1|1,0,1]=4 600 B9R1.69 CC1=CNC(=O)NC1=O Z147641104 [0,1,0,0,0,1|1,0,1]=4 601 B9R1.69 CC1=NNC(=O)C(=C1)Br Z1198221079 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.69 CC1CC(=O)CCN1C Z825754016 [0,1,0,0,0,1|1,0,1]=4 603 B9R1.69 CC1CCC(=O)C(C1)C Z854046072 [0,1,0,0,0,1|0,0,2]=4 604 B9R1.69 CC1CN(CCC1=O)C Z825753356 [0,1,0,0,0,1|1,0,1]=4 605 B9R1.69 CC1CNC(=O)C(C1)C Z1203733670 [0,1,0,0,0,1|0,0,2]=4 606 B9R1.69 CC1CNC(=O)NC1=O Z55928832 [0,1,0,0,0,1|1,0,1]=4 607 B9R1.69 CN1CCC(=NC1=O)N Z2289798132 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.69 CN1CCC(=O)NC1=O Z852405042 [0,1,0,0,0,1|1,0,0]=3 609 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [0,1,0,0,0,1|1,0,1]=4 610 B9R1.2 CC1=CC(=CC=C1)C=O Z104478208 [0,1,0,0,0,1|0,0,2]=4 611 B9R1.2 CC1=CC(=CN=C1)C=O Z1198176743 [0,1,0,0,0,1|0,0,2]=4 612 B9R1.2 CC1=CC(=NC=C1)C=O Z1201624018 [0,1,0,0,0,1|0,0,2]=4 613 B9R1.2 CC1=NC=CC(=C1)C=O Z1198168755 [0,1,0,0,0,1|0,0,2]=4 614 B9R1.2 CC1=NC=NC(=C1)C=O Z1013697120 [0,1,0,0,0,1|1,0,1]=4 615 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [0,1,0,0,0,1|0,0,2]=4 616 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,1,0,0,0,1|0,0,2]=4 617 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [0,1,0,0,0,1|0,0,2]=4 618 B9R1.2 CNC1=CC(=O)NN=C1 Z1270443752 [0,1,0,0,0,1|1,0,1]=4 619 B9R1.2 COC1=CC(=O)NC=C1 Z1741975851 [0,1,0,0,0,1|0,0,2]=4 620 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [0,1,0,0,0,1|1,0,1]=4 621 B9R1.2 O=C1C=C(C=CN1)CO Z1203733303 [0,1,0,0,0,1|0,0,2]=4 622 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [0,1,0,0,0,1|0,0,2]=4 623 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [0,1,0,0,0,1|1,0,1]=4 624 B9R1.2 O=C1CNC[C@@H](N1)CO Z1203822229 [0,1,0,0,0,1|1,0,1]=4 625 B9R1.2 O=C1CNC[C@H](N1)CO Z1203822228 [0,1,0,0,0,1|1,0,1]=4 626 B9R1.3 CC1=C(C(=O)C=CN1)C Z1203830064 [0,1,0,0,0,1|0,0,2]=4 627 B9R1.3 CC1=C(C(=O)C=CO1)O Z1255382969 [0,1,0,0,0,1|0,0,2]=4 628 B9R1.3 CC1=C(C(CCC1)N)C Z3814443111 [0,1,0,0,0,1|1,0,1]=4 629 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,1,0,0,0,1|0,0,2]=4 630 B9R1.3 CC1CCNC(=O)C1N Z1203587127 [0,1,0,0,0,1|0,0,2]=4 631 B9R1.3 CC1CNCC(=O)N1C Z3064472006 [0,1,0,0,0,1|1,0,1]=4 632 B9R1.3 CN1CCNC(=O)C1=O Z1037603248 [0,1,0,0,0,1|1,0,0]=3 633 B9R1.3 C[C@@H]1NCCC(=O)[C@H]1C Z4513729412 [0,1,0,0,0,1|0,0,2]=4 634 B9R1.34 CC1=CC(=O)C=C(N1)C Z56754506 [0,1,0,0,0,1|0,0,2]=4 635 B9R1.34 CC1=CC(=O)C=C(O1)C Z104477080 [0,1,0,0,0,1|0,0,2]=4 636 B9R1.34 CC1=CC(=O)NC(=C1)N Z104343026 [0,1,0,0,0,1|0,0,2]=4 637 B9R1.34 CC1=CC(=O)NC(=N1)S Z56771013 [0,1,0,0,0,1|1,0,1]=4 638 B9R1.34 CC1=CC(=O)NC(=O)N1 Z56871945 [0,1,0,0,0,1|1,0,1]=4 639 B9R1.34 CC1CC(=CC(=O)O1)O Z1255485574 [0,1,0,0,0,1|1,0,0]=3 640 B9R1.34 CC1CC(=O)NC(=O)C1 Z1041181212 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.34 NC1CC(=O)NC(=O)C1 Z2867491050 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [0,1,0,0,0,1|0,0,2]=4 643 B9R1.66 CC1(CNCC(=O)N1)C Z2867580462 [0,1,0,0,0,1|1,0,1]=4 644 B9R1.66 CC1(COCC(=O)N1)C Z1198274805 [0,1,0,0,0,1|1,0,1]=4 645 B9R1.66 CS1(=NC(=O)NCC1)=O Z3362224804 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.7 CCCC1=CC(=O)NN1 Z2583036240 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.7 CNC[C@@H]1CCC(=O)N1 Z2941365002 [0,2,0,0,0,0|1,0,1]=4 648 B9R1.7 N#CCC1CCC(=O)N1 Z255150040 [0,2,0,0,0,0|1,0,1]=4 649 B9R1.7 NCCC1=CC(=O)NN1 Z1483956795 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.21 CCC1=CC(=NO1)C=O Z1255421513 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.21 CCC1=NOC(=C1)C=O Z1201627025 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.21 COC1=NSC(=C1)C=O Z1216842689 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.21 O=CC1=CC(=NO1)CCl Z3281131601 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.21 O=CC1=NOC(=C1)CF Z2732445595 [0,2,0,0,0,0|2,0,0]=4 655 B9R1.22 CC1=CC(=C(N1)C)C=O Z85921954 [0,2,0,0,0,0|1,0,1]=4 656 B9R1.22 CC1=CC(=C(O1)C)C=O Z57500361 [0,2,0,0,0,0|1,0,1]=4 657 B9R1.22 CC1=CC(=C(S1)C)C=O Z336080308 [0,2,0,0,0,0|1,0,1]=4 658 B9R1.22 CC1=NN(C(=C1)C=O)C Z1201621821 [0,2,0,0,0,0|2,0,0]=4 659 B9R1.23 CC1=C(OC(=C1)C=O)Br Z1416181300 [0,2,0,0,0,0|1,0,1]=4 660 B9R1.23 CC1=C(SC(=C1)C=O)Br Z1259202927 [0,2,0,0,0,0|1,0,1]=4 661 B9R1.23 CC1=C(SC(=C1)C=O)C Z1255488969 [0,2,0,0,0,0|1,0,1]=4 662 B9R1.23 CC1=C(SC(=C1)C=O)Cl Z1255367806 [0,2,0,0,0,0|1,0,1]=4 663 B9R1.23 CC1=CC(=NN1C)C=O Z1201623008 [0,2,0,0,0,0|2,0,0]=4 664 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [0,2,0,0,0,0|1,0,1]=4 665 B9R1.35 CC(=O)C1=CC(=NS1)C Z1416183275 [0,2,0,0,0,0|2,0,0]=4 666 B9R1.35 CC(=O)C1=CSC(=C1)C Z1238833318 [0,2,0,0,0,0|1,0,1]=4 667 B9R1.35 CC(=O)C1=NOC(=C1)C Z1255384089 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.35 CC(C)N1CCC(=O)C1 Z415646352 [0,2,0,0,0,0|1,0,1]=4 669 B9R1.35 CC(N)C1=CC(=O)NN1 Z2526715161 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.35 CC1=CC(=CN1)C(=O)O Z1198267230 [0,2,0,0,0,0|1,0,1]=4 671 B9R1.35 CC1=CC(=CO1)C(=O)O Z1205493994 [0,2,0,0,0,0|1,0,1]=4 672 B9R1.35 CC1=CC(=CS1)C(=O)O Z979749380 [0,2,0,0,0,0|1,0,1]=4 673 B9R1.35 CC1=CC(=CS1)S(=O)[O-] Z5209507990 [0,2,0,0,0,0|1,0,1]=4 674 B9R1.35 CC1=CC(=NN1)C(=O)O Z752370868 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.35 CC1=CNC(=C1)C(=O)O Z1201622537 [0,2,0,0,0,0|1,0,1]=4 676 B9R1.35 CC1=COC(=C1)C(=O)O Z1205494707 [0,2,0,0,0,0|1,0,1]=4 677 B9R1.35 CC1=CSC(=C1)C(=O)O Z1203160201 [0,2,0,0,0,0|1,0,1]=4 678 B9R1.35 CC1=NOC(=C1)C(=O)O Z90660974 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.35 CC1=NSC(=C1)C(=O)O Z1198313658 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,2,0,0,0,0|0,0,1]=3 681 B9R1.125 CC1(CCC(=O)N1)C#N Z1201626413 [0,2,0,0,0,0|1,0,1]=4 682 B9R1.125 CC1(CCC(=O)N1)CN Z2242950987 [0,2,0,0,0,0|1,0,1]=4 683 B9R1.125 CC1(CCC(=O)N1)CO Z1258978054 [0,2,0,0,0,0|1,0,1]=4 684 B9R1.132 CC1=C(C(=CS1)C=O)C Z1511763162 [0,2,0,0,0,0|1,0,1]=4 685 B9R1.132 CC1=C(C(=NN1)C=O)C Z1216831629 [0,2,0,0,0,0|2,0,0]=4 686 B9R1.132 CC1=C(C(=NO1)C=O)Br Z2732643713 [0,2,0,0,0,0|2,0,0]=4 687 B9R1.132 CC1=CNC(=C1C)C=O Z1201617615 [0,2,0,0,0,0|1,0,1]=4 688 B9R1.132 CC1=CSC(=C1C)C=O Z1216838624 [0,2,0,0,0,0|1,0,1]=4 689 B9R1.132 CC1=NNC(=C1Br)C=O Z1201628653 [0,2,0,0,0,0|2,0,0]=4 690 B9R1.132 CC1=NNC(=C1Cl)C=O Z1201628657 [0,2,0,0,0,0|2,0,0]=4 691 B9R1.132 CCC1=C(C(=O)NC1)C Z1203731042 [0,2,0,0,0,0|1,0,0]=3 692 B9R1.132 CN1C(=O)CCC1CO Z1255502015 [0,2,0,0,0,0|1,0,1]=4 693 B9R1.132 N#CC1=C(C(=O)NC1)O Z1203748523 [0,2,0,0,0,0|1,0,1]=4 694 B9R1.36 CC1CC(NC1=O)(C)C Z1263714376 [0,2,0,0,0,0|1,0,1]=4 695 B9R1.37 CC1=C(C(=O)NC1=O)C Z1117886924 [0,2,0,0,0,0|1,0,1]=4 696 B9R1.37 CC1=CC(=O)N(C1=O)C Z390458732 [0,2,0,0,0,0|1,0,1]=4 697 B9R1.37 CC1C(=O)NC(=O)C1C Z1255493920 [0,2,0,0,0,0|2,0,0]=4 698 B9R1.37 CC1NC(=O)C(C1C)C Z1509031333 [0,2,0,0,0,0|1,0,1]=4 699 B9R1.37 CN1C(=O)CC(C1=O)N Z1262398536 [0,2,0,0,0,0|2,0,0]=4 700 B9R1.37 O=C1OC(C(=C1Br)Br)O Z234875048 [0,2,0,0,0,0|2,0,0]=4 701 B9R1.38 CC1(CC(=O)NC1=O)C Z384975080 [0,2,0,0,0,0|2,0,0]=4 702 B9R1.38 CC1CC(=O)NC1(C)C Z1258978106 [0,2,0,0,0,0|1,0,1]=4 703 B9R1.38 CC1CC(C(=O)N1)(C)C Z1203733674 [0,2,0,0,0,0|1,0,1]=4 704 B9R1.27 N#CC1=C(NCC1=O)N Z255150214 [0,2,0,0,0,0|2,0,0]=4 705 B9R1.27 N#CN1C(=O)CCC1=O Z1255380411 [0,2,0,0,0,0|2,0,0]=4 706 B9R1.27 O=C1CCC(=O)N1CO Z336080046 [0,2,0,0,0,0|2,0,0]=4 707 B7R1.3 NC1C=CCCC1 Z1203579654 [0,0,1,1,0,0|1,0,1]=4 708 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,1,1,0,0|0,0,0]=2 709 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,1,1,0,0|1,0,0]=3 710 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,1,1,0,0|0,0,2]=4 711 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,1,1,0,0|1,0,1]=4 712 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,1,1,0,0|1,0,1]=4 713 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,1,1,0,0|1,0,1]=4 714 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,1,1,0,0|1,0,1]=4 715 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,1,1,0,0|2,0,0]=4 716 B7R1.3 O=C1CCCSC1 Z979714552 [0,0,1,1,0,0|1,0,1]=4 717 B7R1.6 O=CCC1CCC1 Z1198184444 [0,0,1,1,0,0|0,0,2]=4 718 B7R1.9 CCC1CC1C=O Z1513989944 [0,0,1,1,0,0|0,0,2]=4 719 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,0,1,1,0,0|0,0,2]=4 720 B7R1.11 C[C@H]1C([C@@H]1C)C=O Z3081818776 [0,0,1,1,0,0|0,0,2]=4 721 B7R1.21 CC1(CC1)CC=O Z3247248393 [0,0,1,1,0,0|0,0,2]=4 722 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,1,1,0,0|0,0,2]=4 723 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,0,1,1,0,0|0,0,2]=4 724 B7R1.7 O=CCCC1CC1 Z1233208002 [0,0,1,1,0,0|0,0,2]=4 725 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,1,1,0,0|1,0,1]=4 726 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,1,1,0,0|2,0,0]=4 727 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,1,1,0,0|1,0,1]=4 728 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,1,1,0,0|2,0,0]=4 729 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,1,1,0,0|2,0,0]=4 730 B7R1.23 CC1(CC1C=O)Br Z1513978436 [0,0,1,1,0,0|1,0,1]=4 731 B7R1.23 CC1(CC1C=O)C Z1511745659 [0,0,1,1,0,0|0,0,2]=4 732 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [0,0,1,1,0,0|0,0,2]=4 733 B7R2.13 C1=CC2OC2C1 Z1238546190 [1,0,0,1,0,0|0,0,2]=4 734 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [0,0,0,1,0,1|0,0,2]=4 735 B9R2.40 CC12CCC(=O)C1O2 Z1513595022 [0,0,0,1,0,1|0,0,2]=4 736 B9R2.25 O=C1NC(=O)C2C1C2 Z491654166 [0,0,0,1,0,1|2,0,0]=4 737 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [0,0,0,1,0,1|1,0,1]=4 738 B5R0.5 CC(=N)N(C)C Z1428159819 [0,0,1,0,1,0|2,0,0]=4 739 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,1,0,1,0|2,0,0]=4 740 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,1,0,1,0|1,0,1]=4 741 B5R0.5 CC(C)C(=O)N Z57046209 [0,0,1,0,1,0|1,0,1]=4 742 B5R0.5 CC(C)C(=O)O Z104473380 [0,0,1,0,1,0|1,0,1]=4 743 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,0,1,0|1,0,0]=3 744 B9R1.49 O=C1CCCC(=O)NC1 Z1255404954 [0,0,0,0,0,2|1,0,1]=4 745 B9R1.48 CC1CC(=O)NCCN1 Z1165350935 [0,0,0,0,0,2|0,0,2]=4 746 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [0,0,0,0,0,2|1,0,1]=4 747 B9R1.48 CN1CCCNC(=O)C1 Z1031052044 [0,0,0,0,0,2|1,0,1]=4 748 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [0,0,0,0,0,2|1,0,1]=4 749 B9R1.48 O=C1CCCNC(=O)C1 Z1203731695 [0,0,0,0,0,2|1,0,1]=4