0 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.4 CC1=CC(=S)NC=N1 M41054 [0,0,0,0,0,0|2,1,1]=4 3 B8R1.4 CC1=CC(Br)=CN=C1 B10806 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.4 CC1=CC(Br)=NC=C1 B5404 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.4 CC1=CC(Br)=NC=N1 B40871 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.4 CC1=CC(C)=NC=N1 D7855 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.4 CC1=CC(Cl)=CN=C1 C22076 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.4 CC1=CC(Cl)=NC=C1 C4515 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.4 CC1=CC(Cl)=NC=N1 C11796 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.4 CC1=CC(Cl)=NN=C1 C2948 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.4 CC1=CC(F)=CN=C1 F42848 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.4 CC1=CC(N)=NC=C1 M67573 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.4 CC1=CC(N)=NC=N1 M8922 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.4 CC1=CC(O)=CN=C1 H23648 [0,0,0,0,0,0|1,0,3]=4 15 B8R1.4 CC1=CC(O)=NC=C1 M18825 [0,0,0,0,0,0|1,0,3]=4 16 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,0,0,0,0,0|1,0,3]=4 17 B8R1.4 CC1=CC=CC(I)=C1 K68735 [0,0,0,0,0,0|1,0,3]=4 18 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [0,0,0,0,0,0|1,0,3]=4 19 B8R1.4 CC1=CN=CC(N)=C1 A4718 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.4 CC1=NC=CC(=O)N1 M41026 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.4 CC1=NC=CC(Br)=C1 B1746 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.4 CC1=NC=CC(Cl)=C1 C42842 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.4 CC1=NC=CC(F)=C1 F67675 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.4 CC1=NC=CC(I)=C1 K42851 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.4 CC1=NC=CC(N)=C1 A12847 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.4 CC1=NC=CC(O)=C1 H1019 [0,0,0,0,0,0|1,0,3]=4 27 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,0,0,0|1,0,1]=2 28 B8R1.4 CN1CCC[C@@H](N)C1 A1653 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.4 CN1CCC[C@@H](N)C1 M16827 [0,0,0,0,0,0|2,0,2]=4 30 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,0,0,0,0,0|1,0,3]=4 31 B8R1.4 CN1CCC[C@H](N)C1 A0282 [0,0,0,0,0,0|2,0,2]=4 32 B8R1.4 CN1CCC[C@H](N)C1 A1654 [0,0,0,0,0,0|2,0,2]=4 33 B8R1.4 CN1CCC[C@H](N)C1 A7504 [0,0,0,0,0,0|2,0,2]=4 34 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,0,0,0,0,0|1,0,3]=4 35 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,0,0,0,0,0|1,0,3]=4 36 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,0,0,0|2,0,1]=3 37 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,0,0,0|2,0,1]=3 38 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,0,0,0,0,0|1,0,2]=3 39 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,0,0,0,0|1,0,2]=3 40 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,0,0,0|2,0,1]=3 41 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,0,0,0|2,0,1]=3 42 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,0,0,0,0,0|1,0,2]=3 43 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,0,0,0,0,0|1,0,2]=3 44 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,0,0,0,0,0|1,0,2]=3 45 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,0,0,0,0|1,0,2]=3 46 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,0,0,0,0|1,0,2]=3 47 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,0,0,0|1,0,1]=2 48 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,0,0,0|1,0,2]=3 49 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,0,0,0|2,0,1]=3 50 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,0,0,0,0,0|1,0,0]=1 51 B8R1.4 NC1=CC(=O)NC=C1 A0052 [0,0,0,0,0,0|2,0,2]=4 52 B8R1.4 NC1=CC(=O)NN=C1 A12960 [0,0,0,0,0,0|3,0,1]=4 53 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,0,0,0,0,0|2,0,2]=4 54 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,0,0,0,0,0|2,0,2]=4 55 B8R1.4 O=C1C=C(Br)C=CN1 B11835 [0,0,0,0,0,0|2,0,2]=4 56 B8R1.4 O=C1C=C(Cl)C=NN1 C24776 [0,0,0,0,0,0|3,0,1]=4 57 B8R1.4 O=C1C=C(Cl)N=CN1 C23826 [0,0,0,0,0,0|3,0,1]=4 58 B8R1.4 O=C1C=C(F)C=CN1 F32104 [0,0,0,0,0,0|2,0,2]=4 59 B8R1.4 O=C1C=C(I)C=CN1 K40859 [0,0,0,0,0,0|2,0,2]=4 60 B8R1.4 O=C1C=C(I)C=NN1 I1957 [0,0,0,0,0,0|3,0,1]=4 61 B8R1.4 O=C1C=C(O)C=CN1 H69391 [0,0,0,0,0,0|2,0,2]=4 62 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,0,0,0|1,0,1]=2 63 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,0,0,0,0,0|2,0,0]=2 64 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,0,0,0|2,0,1]=3 65 B8R1.4 O=C1CNCC(=O)N1 P10757 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.4 O=C1COCC(=O)C1 P7984 [0,0,0,0,0,0|2,0,1]=3 67 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,0,0,0,0,0|2,0,1]=3 68 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,0,0,0,0,0|2,0,2]=4 69 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,0,0,0,0,0|2,0,2]=4 70 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [0,0,0,0,0,0|2,0,1]=3 71 B7R1.3 CC1=CC=CN=N1 M0216 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.3 CC1=CCCNC1 M12102 [1,0,0,0,0,0|1,0,1]=3 73 B7R1.3 CC1=CCNCC1 M26826 [1,0,0,0,0,0|1,0,1]=3 74 B7R1.3 CC1=CN=NC=C1 M3532 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.3 CC1=NC=NC=C1 M7491 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.3 C[C@@H]1CCCNC1 M43474 [1,0,0,0,0,0|1,0,2]=4 77 B7R1.3 C[C@H]1CCCCN1 M43475 [1,0,0,0,0,0|1,0,2]=4 78 B7R1.3 O=C1C=CC=NN1 P5932 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.3 O=C1C=CCCN1 D67780 [1,0,0,0,0,0|1,0,0]=2 80 B7R1.3 O=C1C=CCOC1 P26982 [1,0,0,0,0,0|1,0,0]=2 81 B7R1.3 O=C1C=CN=CN1 P0246 [1,0,0,0,0,0|2,0,1]=4 82 B7R1.3 O=C1C=COC=C1 P40862 [1,0,0,0,0,0|1,0,2]=4 83 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,0,0,0|1,0,1]=3 84 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,0,0,0|1,0,1]=3 85 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,0,0,0|1,0,1]=3 86 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,0,0,0|1,0,1]=3 87 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,0,0,0|1,0,1]=3 88 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,0,0,0|1,0,2]=4 89 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,0,0,0|1,0,2]=4 90 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,0,0,0|1,0,2]=4 91 B7R1.3 O=C1CNCCN1 P10419 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.3 O=C1COCCN1 M7700 [1,0,0,0,0,0|2,0,1]=4 93 B7R1.3 O=C1COCCO1 D38663 [1,0,0,0,0,0|2,0,1]=4 94 B7R1.3 O=C1CSCCN1 T40230 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [0,1,0,0,0,0|1,0,2]=4 96 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [0,1,0,0,0,0|1,0,2]=4 97 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [0,1,0,0,0,0|1,0,2]=4 98 B9R1.2 CCC1=CC(=O)NC=N1 E43198 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.2 CCC1=CC(=O)NN=C1 E43197 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.2 COC1=CC(=O)NC=C1 M43139 [0,1,0,0,0,0|1,0,2]=4 102 B9R1.2 COC1=CC(=O)NC=N1 M41034 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.2 COC1=CC(=O)NN=C1 M17895 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [0,1,0,0,0,0|0,0,3]=4 105 B9R1.2 NCC1=CC(=O)N=CN1 A0948 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.2 NCC1=CC(=O)NC=C1 A1717 [0,1,0,0,0,0|1,0,2]=4 107 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,1,0,0,0,0|1,0,1]=3 108 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,1,0,0,0,0|1,0,2]=4 109 B9R1.2 O=C1C=C(CO)C=CN1 H0460 [0,1,0,0,0,0|1,0,2]=4 110 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,1,0,0,0,0|1,0,2]=4 112 B9R1.3 CC1=C(Cl)C(=O)NC=N1 C40936 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.3 CC1=C(I)C(=O)N=CN1 K40947 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,1,0,0,0,0|1,0,1]=3 115 B9R1.3 CN1C(=O)CCCC1=O M37753 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.3 CN1C(=O)CNCC1=O M13399 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [0,1,0,0,0,0|2,0,1]=4 120 B9R1.3 O=C1CCCC(O)=C1I H60380 [0,1,0,0,0,0|1,0,0]=2 121 B9R1.34 CC1=CC(=O)C=C(C)N1 D4504 [0,1,0,0,0,0|1,0,2]=4 122 B9R1.34 CC1=CC(=O)NC(=O)N1 M60790 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.34 CC1=CC(=O)NC(N)=N1 A61030 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.34 CC1=CC(=O)NC(O)=C1 H0016 [0,1,0,0,0,0|1,0,2]=4 125 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,1,0,0,0,0|1,0,1]=3 126 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,1,0,0,0,0|1,0,2]=4 127 B9R1.34 O=C1CC(=O)OC(=O)C1 P40864 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,1,0,0,0,0|1,0,2]=4 129 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,1,0,0,0,0|1,0,2]=4 130 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,1,0,0,0,0|0,0,2]=3 131 B9R1.69 CC1=CC(=O)NN=C1C D15899 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.69 CC1=CC(=O)NN=C1Cl C40939 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.69 CC1=CC(=O)NNC1=O M1514 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.69 N[C@H]1CCC(=O)NC1=O A29783 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.69 N[C@H]1CCC(=O)NC1=O A41311 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 B41113 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.2 CC(C)NC(=O)CCl P40378 [0,0,1,0,0,0|2,0,1]=4 139 B7R0.2 CC(C)OC(=O)CO I38145 [0,0,1,0,0,0|2,0,1]=4 140 B7R0.2 CCC(=O)CC(C)=O H69646 [0,0,1,0,0,0|1,0,1]=3 141 B7R0.2 CCC(=O)OC(C)=O A41227 [0,0,1,0,0,0|2,0,0]=3 142 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,0,1,0,0,0|1,0,2]=4 143 B7R0.2 COC(=O)C=C(C)C M41461 [0,0,1,0,0,0|1,0,0]=2 144 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,0,1,0,0,0|2,0,0]=3 145 B7R0.4 C#CCCCC(=O)O H43301 [0,0,1,0,0,0|1,0,2]=4 146 B7R0.4 CC(=O)CCCCBr B41532 [0,0,1,0,0,0|1,0,2]=4 147 B7R0.4 CCCCOC(N)=O B39165 [0,0,1,0,0,0|2,0,1]=4 148 B7R0.4 CCCOCC(=O)O P40387 [0,0,1,0,0,0|2,0,1]=4 149 B7R0.4 CNCCCC(=O)O M63276 [0,0,1,0,0,0|2,0,0]=3 150 B7R0.4 COCCCC(=O)O M67387 [0,0,1,0,0,0|2,0,0]=3 151 B7R0.4 COCCNC(N)=O M36648 [0,0,1,0,0,0|3,0,0]=4 152 B7R0.4 N#CCCCC(=O)O C41166 [0,0,1,0,0,0|2,0,1]=4 153 B7R0.4 O=C(O)CCCCBr B39187 [0,0,1,0,0,0|2,0,1]=4 154 B7R0.4 O=C(O)CCCCCl C39191 [0,0,1,0,0,0|2,0,1]=4 155 B7R0.4 O=C(O)CCCCO H37199 [0,0,1,0,0,0|2,0,1]=4 156 B7R0.4 O=C([O-])CCCCO S41306 [0,0,1,0,0,0|2,0,1]=4 157 B7R0.7 CC#CC(=O)OCC E36835 [0,0,1,0,0,0|1,0,2]=4 158 B7R0.7 CCNC(=O)NCC D40424 [0,0,1,0,0,0|2,0,1]=4 159 B7R0.7 CCOC(=O)CCBr E39188 [0,0,1,0,0,0|2,0,1]=4 160 B7R0.7 CCOC(=O)CCI E41273 [0,0,1,0,0,0|2,0,1]=4 161 B7R0.7 CCOC(=O)CCO E36682 [0,0,1,0,0,0|2,0,1]=4 162 B7R0.7 CCOC(=O)CNC S69399 [0,0,1,0,0,0|2,0,1]=4 163 B7R0.7 CCOC(=O)CSC E40386 [0,0,1,0,0,0|2,0,1]=4 164 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,0,1,0,0,0|2,0,1]=4 165 B7R0.7 CCOC(=O)\C=C\I E41181 [0,0,1,0,0,0|2,0,0]=3 166 B7R0.7 COCC(=O)COC D40391 [0,0,1,0,0,0|2,0,1]=4 167 B9R2.8 O=C1CC2CC(C1)C2 B60206 [0,0,0,1,0,0|0,0,2]=3 168 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,1,0,0|1,0,2]=4 169 B9R2.25 O=C1OC(=O)C2CC12 X24282 [0,0,0,1,0,0|2,0,0]=3 170 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,1,0,0|1,0,1]=3 171 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,1,0,0|1,0,1]=3 172 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,1,0,0|2,0,1]=4 173 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,1,0,0|0,0,2]=3 174 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,1,0,0|1,0,2]=4 175 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,0,1,0|0,0,0]=1 176 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,0,1,0|1,0,0]=2 177 B7R1.2 CC1=CC(=O)NN1 M12010 [0,0,0,0,1,0|2,0,0]=3 178 B7R1.2 CC1=CC(=O)NO1 M68379 [0,0,0,0,1,0|2,0,0]=3 179 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,0,0,0,1,0|2,0,1]=4 180 B7R1.2 CC1=CC(Br)=NN1 B9765 [0,0,0,0,1,0|3,0,0]=4 181 B7R1.2 CC1=CC(Br)=NO1 B2183 [0,0,0,0,1,0|3,0,0]=4 182 B7R1.2 CC1=CC(C)=NO1 D39182 [0,0,0,0,1,0|3,0,0]=4 183 B7R1.2 CC1=CC(Cl)=NN1 C7548 [0,0,0,0,1,0|3,0,0]=4 184 B7R1.2 CC1=CC(I)=NN1 I26594 [0,0,0,0,1,0|3,0,0]=4 185 B7R1.2 CC1=CC(N)=NN1 A11614 [0,0,0,0,1,0|3,0,0]=4 186 B7R1.2 CC1=CC(N)=NO1 A12655 [0,0,0,0,1,0|3,0,0]=4 187 B7R1.2 CC1=CSC(N)=C1 A0597 [0,0,0,0,1,0|2,0,1]=4 188 B7R1.2 CC1=NNC(=O)C1 M68628 [0,0,0,0,1,0|2,0,1]=4 189 B7R1.2 CC1=NNC(=O)O1 M39837 [0,0,0,0,1,0|3,0,0]=4 190 B7R1.2 CC1=NNC(Br)=C1 B40114 [0,0,0,0,1,0|3,0,0]=4 191 B7R1.2 CC1=NNC(I)=C1 K40122 [0,0,0,0,1,0|3,0,0]=4 192 B7R1.2 CC1=NNC(N)=C1 M40220 [0,0,0,0,1,0|3,0,0]=4 193 B7R1.2 CC1=NNC(O)=C1 M0907 [0,0,0,0,1,0|2,0,1]=4 194 B7R1.2 CC1=NOC(N)=C1 A37936 [0,0,0,0,1,0|3,0,0]=4 195 B7R1.2 CC1=NSC(I)=C1 I6114 [0,0,0,0,1,0|3,0,0]=4 196 B7R1.2 CC1=NSC(N)=C1 M65783 [0,0,0,0,1,0|3,0,0]=4 197 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,0,1,0|1,0,1]=3 198 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,0,1,0|1,0,2]=4 199 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,0,1,0|2,0,1]=4 200 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,0,1,0|1,0,1]=3 201 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,0,1,0|2,0,1]=4 202 B7R1.2 NC1=CC(=O)NN1 A0899 [0,0,0,0,1,0|3,0,0]=4 203 B7R1.2 NC1=NC(=O)CO1 A39836 [0,0,0,0,1,0|3,0,0]=4 204 B7R1.2 NC1=NC(=O)CS1 A2444 [0,0,0,0,1,0|3,0,0]=4 205 B7R1.2 NC1=NC(=O)CS1 A67692 [0,0,0,0,1,0|3,0,0]=4 206 B7R1.2 NC1=NCC(=O)S1 A64749 [0,0,0,0,1,0|3,0,0]=4 207 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,0,0,0,1,0|2,0,0]=3 208 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,0,1,0|1,0,1]=3 209 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,0,1,0|1,0,2]=4 210 B7R1.2 O=C1CNC(=O)N1 K68378 [0,0,0,0,1,0|3,0,0]=4 211 B7R1.2 O=C1CNC(=O)O1 X68377 [0,0,0,0,1,0|3,0,0]=4 212 B7R1.2 O=C1CSC(=O)N1 T69276 [0,0,0,0,1,0|3,0,0]=4 213 B7R1.2 O=C1CSC(=S)N1 T68348 [0,0,0,0,1,0|3,0,0]=4 214 B7R1.4 BrC1=C(Br)CCC1 D68539 [0,0,0,0,1,0|2,0,0]=3 215 B7R1.4 CN1CCCC1=S M6872 [0,0,0,0,1,0|1,1,0]=3 216 B7R1.4 CN1CCN=C1N M40301 [0,0,0,0,1,0|3,0,0]=4 217 B7R1.4 CN1CCNC1=O M40241 [0,0,0,0,1,0|2,0,0]=3 218 B7R1.4 CN1N=CCC1=O M40183 [0,0,0,0,1,0|2,0,1]=4 219 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,0,1,0|1,0,1]=3 220 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,0,1,0|0,0,1]=2 221 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,0,1,0|1,0,1]=3 222 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,0,1,0|1,0,1]=3 223 B7R1.4 NN1CCCC1=O A22230 [0,0,0,0,1,0|2,0,0]=3 224 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,0,0,0,1,0|2,0,1]=4 225 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,0,0,0,1,0|2,0,1]=4 226 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,0,0,0,1,0|2,0,1]=4 227 B7R1.4 N[C@H]1CCNC1=O A24294 [0,0,0,0,1,0|2,0,1]=4 228 B7R1.4 N[C@H]1CCOC1=O A40300 [0,0,0,0,1,0|2,0,1]=4 229 B7R1.4 N[C@H]1CCOC1=O A40335 [0,0,0,0,1,0|2,0,1]=4 230 B7R1.4 O=C1CCC=C1Br B3409 [0,0,0,0,1,0|1,0,1]=3 231 B7R1.4 O=C1CCC=C1O H41119 [0,0,0,0,1,0|1,0,1]=3 232 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,0,0,0,1,0|2,0,1]=4 233 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,0,0,0,1,0|2,0,1]=4 234 B7R1.4 O=C1NCC[C@H]1O H40227 [0,0,0,0,1,0|2,0,1]=4 235 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,0,0,0,1,0|2,0,1]=4 236 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,0,0,0,0,1|1,0,2]=4 237 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,0,0,0,0,1|1,0,1]=3 238 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,0,0,0,0,1|1,0,1]=3 239 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,0,0,0,0,1|2,0,1]=4 240 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,0,0,0,0,1|1,0,2]=4 241 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,0,0,0,0,1|1,0,2]=4 242 B6R0.1 CC=CC(=O)CC H41457 [1,0,1,0,0,0|0,0,0]=2 243 B6R0.1 CCOC(=O)OC E40254 [1,0,1,0,0,0|2,0,0]=4 244 B6R0.1 CNC(=O)CCN A40306 [1,0,1,0,0,0|2,0,0]=4 245 B6R0.1 COC(=O)CCBr M39155 [1,0,1,0,0,0|2,0,0]=4 246 B6R0.1 COC(=O)CCN M67902 [1,0,1,0,0,0|2,0,0]=4 247 B6R0.1 COC(=O)CCO M24551 [1,0,1,0,0,0|2,0,0]=4 248 B6R0.1 COC(=O)\C=C/Br B3417 [1,0,1,0,0,0|2,0,0]=4 249 B6R0.1 COC(=O)\C=C/I I2748 [1,0,1,0,0,0|2,0,0]=4 250 B6R0.1 COC(=O)\C=C\I M40173 [1,0,1,0,0,0|2,0,0]=4 251 B6R0.2 CC(=O)C=C(C)N A41256 [1,0,1,0,0,0|1,0,0]=3 252 B6R0.2 CC(=O)NC(C)C P40402 [1,0,1,0,0,0|1,0,1]=4 253 B6R0.4 C=CCCC(=O)O P37823 [1,0,1,0,0,0|1,0,1]=4 254 B6R0.4 C=CCCC(N)=O P5022 [1,0,1,0,0,0|1,0,1]=4 255 B6R0.4 CC(=O)CCCCl C68599 [1,0,1,0,0,0|1,0,1]=4 256 B6R0.4 CC(C)=CCCBr B0351 [1,0,1,0,0,0|1,0,1]=4 257 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,0,1,0,0,0|1,0,1]=4 258 B6R0.4 CCCCC(=N)N P41343 [1,0,1,0,0,0|2,0,0]=4 259 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,1,0,0,0|1,0,0]=3 260 B6R0.4 CCCOC(N)=O P40264 [1,0,1,0,0,0|2,0,0]=4 261 B6R0.4 CNCCC(=O)O M40350 [1,0,1,0,0,0|2,0,0]=4 262 B6R0.4 COC=CC(C)=O M41222 [1,0,1,0,0,0|1,0,0]=3 263 B6R0.4 COCCC(=O)O M40255 [1,0,1,0,0,0|2,0,0]=4 264 B6R0.4 NCCCC(N)=O A40304 [1,0,1,0,0,0|2,0,0]=4 265 B6R0.4 O=C(O)CCCBr B39154 [1,0,1,0,0,0|2,0,0]=4 266 B6R0.4 O=C(O)CCCCl C40232 [1,0,1,0,0,0|2,0,0]=4 267 B6R0.4 O=C(O)\C=C\CBr B37272 [1,0,1,0,0,0|2,0,0]=4 268 B6R0.6 C=CCCCCBr B9212 [1,0,1,0,0,0|1,0,1]=4 269 B6R0.6 C=CCCCCO H41549 [1,0,1,0,0,0|0,0,2]=4 270 B6R0.6 C=CCCCC[Mg+] H5025 [1,0,1,0,0,0|1,0,1]=4 271 B6R0.6 CC=CCCCO H41548 [1,0,1,0,0,0|1,0,1]=4 272 B6R0.6 CCC\C=C\CO H41550 [1,0,1,0,0,0|0,0,2]=4 273 B6R0.6 C\C=C\C=C\CO H69109 [1,0,1,0,0,0|1,0,1]=4 274 B6R0.6 O=CCCCCCl C41277 [1,0,1,0,0,0|1,0,1]=4 275 B6R0.6 O=CCCCCO H32202 [1,0,1,0,0,0|1,0,1]=4 276 B6R1.1 C1=CCNCC1 T0540 [2,0,0,0,0,0|1,0,1]=4 277 B6R1.1 C1=CCOCC1 D10810 [2,0,0,0,0,0|1,0,1]=4 278 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,1,1,0,0,0|1,0,0]=3 279 B8R0.5 COCC(=O)OC(C)C P65707 [0,1,1,0,0,0|1,0,1]=4 280 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,1,1,0,0,0|1,0,1]=4 281 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,1,1,0,0,0|1,0,1]=4 282 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,1,1,0,0,0|1,0,0]=3 283 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,1,1,0,0,0|1,0,0]=3 284 B8R0.23 CC(C)OC(=O)[C@@H](C)N P66866 [0,1,1,0,0,0|1,0,1]=4 285 B8R0.23 CC(C)OC(=O)[C@H](C)N P39284 [0,1,1,0,0,0|1,0,1]=4 286 B8R0.6 CCCCCC(=O)CBr B43868 [0,1,1,0,0,0|0,0,2]=4 287 B8R0.6 CNCCCC(=O)OC M43486 [0,1,1,0,0,0|1,0,1]=4 288 B8R0.6 COCCCC(=O)OC M68350 [0,1,1,0,0,0|1,0,1]=4 289 B8R0.7 C=CCCCCC(=O)O H63383 [0,1,1,0,0,0|1,0,1]=4 290 B8R0.7 COCCOCC(=O)O M37948 [0,1,1,0,0,0|2,0,0]=4 291 B8R0.7 O=C(O)CCCCCBr B67880 [0,1,1,0,0,0|1,0,1]=4 292 B8R0.7 O=C(O)CCCCCCl C41527 [0,1,1,0,0,0|1,0,1]=4 293 B8R0.7 O=C([O-])CCCCCO P41406 [0,1,1,0,0,0|1,0,1]=4 294 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,1,1,0,0,0|1,0,1]=4 295 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,1,1,0,0,0|1,0,1]=4 296 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,1,1,0,0,0|2,0,0]=4 297 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,1,1,0,0,0|2,0,0]=4 298 B8R0.28 C=C(C)CNCC(=C)C B47110 [0,1,1,0,0,0|2,0,0]=4 299 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,1,1,0,0,0|0,0,2]=4 300 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,1,1,0,0,0|1,0,0]=3 301 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,1,1,0,0,0|2,0,0]=4 302 B8R0.28 CN(C)CCCC(=O)O D43497 [0,1,1,0,0,0|1,0,1]=4 303 B8R0.1 CCOC(=O)CCCBr B69333 [0,1,1,0,0,0|1,0,1]=4 304 B8R0.1 CCOC(=O)CCCI E31893 [0,1,1,0,0,0|1,0,1]=4 305 B8R0.1 CCOC(=O)CCCN E43487 [0,1,1,0,0,0|1,0,1]=4 306 B8R0.1 CCOC(=O)CCNC E41584 [0,1,1,0,0,0|1,0,1]=4 307 B8R0.1 CCOC(=O)CCSC E39202 [0,1,1,0,0,0|1,0,1]=4 308 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,1,1,0,0,0|1,0,1]=4 309 B8R0.1 CCOC(=O)\C=C\CBr E43399 [0,1,1,0,0,0|1,0,0]=3 310 B8R0.1 CCOCC(=O)OCC E41554 [0,1,1,0,0,0|1,0,1]=4 311 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,1,1,0,0,0|1,0,1]=4 312 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,1,1,0,0,0|1,0,1]=4 313 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,1,1,0,0,0|1,0,1]=4 314 B8R1.2 BrCC1=CCCCC1 B10308 [1,1,0,0,0,0|0,0,1]=3 315 B8R1.2 COC1=CCOCC1 M5825 [1,1,0,0,0,0|1,0,1]=4 316 B8R1.2 O=CC1=CCCOC1 D43308 [1,1,0,0,0,0|1,0,1]=4 317 B8R1.2 O=CC1=COCCC1 D43307 [1,1,0,0,0,0|1,0,0]=3 318 B8R1.3 CC1CCC(=O)CC1 M39288 [1,1,0,0,0,0|0,0,2]=4 319 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [1,1,0,0,0,0|1,0,1]=4 320 B8R1.3 NC1CCC(=O)CC1 A38581 [1,1,0,0,0,0|0,0,2]=4 321 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [1,1,0,0,0,0|1,0,1]=4 322 B8R1.3 O=C1CCC(O)CC1 H18838 [1,1,0,0,0,0|0,0,2]=4 323 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [1,1,0,0,0,0|1,0,1]=4 324 B8R1.5 CC1=NCCCN1C D39201 [1,1,0,0,0,0|2,0,0]=4 325 B8R1.5 C[C@H]1CCCCC1=O M68370 [1,1,0,0,0,0|0,0,2]=4 326 B8R1.5 C[C@H]1CCCNC1=O P23372 [1,1,0,0,0,0|1,0,1]=4 327 B8R1.5 C[C@H]1CCNCC1=O M14887 [1,1,0,0,0,0|1,0,1]=4 328 B8R1.5 NN1CCCCC1=O A41312 [1,1,0,0,0,0|1,0,1]=4 329 B8R1.5 N[C@@H]1CCCNC1=O A41314 [1,1,0,0,0,0|1,0,1]=4 330 B8R1.5 N[C@H]1CCCCC1=O A63504 [1,1,0,0,0,0|0,0,2]=4 331 B8R1.5 N[C@H]1CCCNC1=O A38933 [1,1,0,0,0,0|1,0,1]=4 332 B8R1.5 N[C@H]1CCCNC1=O A41313 [1,1,0,0,0,0|1,0,1]=4 333 B8R1.5 N[C@H]1CCCNC1=O A64847 [1,1,0,0,0,0|1,0,1]=4 334 B8R1.5 O=C1CCCC=C1Br B3408 [1,1,0,0,0,0|0,0,0]=2 335 B8R1.5 O=C1CCCCC1=O C67839 [1,1,0,0,0,0|0,0,1]=3 336 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [1,1,0,0,0,0|1,0,1]=4 337 B8R1.5 O=C1NCCC[C@@H]1O H36756 [1,1,0,0,0,0|1,0,1]=4 338 B8R1.1 CC1=CC(C=O)=CS1 M29797 [0,1,0,0,1,0|1,0,1]=4 339 B8R1.1 CC1=CC(C=O)=NN1 M41030 [0,1,0,0,1,0|2,0,0]=4 340 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,1,0,0,1,0|1,0,1]=4 341 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,1,0,0,1,0|1,0,1]=4 342 B8R1.1 COC1=CC(=O)CC1 M61379 [0,1,0,0,1,0|0,0,0]=2 343 B8R1.1 COC1=CC(=O)NC1 M41169 [0,1,0,0,1,0|1,0,0]=3 344 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,0,1,0|1,0,1]=4 345 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,0,1,0|1,0,1]=4 346 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,1,0,0,1,0|1,0,0]=3 347 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,1,0,0,1,0|1,0,0]=3 348 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,1,0,0,1,0|1,0,0]=3 349 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,0,1,0|1,0,1]=4 350 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,0,1,0|1,0,1]=4 351 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,0,1,0|1,0,1]=4 352 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,0,1,0|1,0,1]=4 353 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,0,1,0|1,0,1]=4 354 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,0,1,0|1,0,1]=4 355 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,0,1,0|1,0,1]=4 356 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,0,1,0|1,0,1]=4 357 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,0,1,0|1,0,1]=4 358 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,0,1,0|1,0,1]=4 359 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,0,1,0|0,0,0]=2 360 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,1,0,0,1,0|1,0,1]=4 361 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,1,0,0,1,0|1,0,0]=3 362 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,0,1,0|1,0,0]=3 363 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,0,1,0|2,0,0]=4 364 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [0,1,0,0,1,0|2,0,0]=4 365 B8R1.50 CC1=C(Br)C(=O)NN1 B40127 [0,1,0,0,1,0|2,0,0]=4 366 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,0,1,0|1,0,1]=4 367 B8R1.50 O=C1CCC(=O)N1Br B37031 [0,1,0,0,1,0|2,0,0]=4 368 B8R1.50 O=C1CCC(=O)N1I I1787 [0,1,0,0,1,0|2,0,0]=4 369 B8R1.50 O=C1CCC(=O)N1O H68064 [0,1,0,0,1,0|2,0,0]=4 370 B8R1.50 O=C1OCC(Br)=C1Br D2821 [0,1,0,0,1,0|2,0,0]=4 371 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,1,0,0,1,0|1,0,1]=4 372 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,1,0,0,1,0|1,0,1]=4 373 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,0,1,0|0,0,1]=3 374 B8R1.11 N#CC1=C(N)CCC1 A43185 [0,1,0,0,1,0|1,0,1]=4 375 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,0,1,0|0,0,1]=3 376 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,1,0,0,1,0|1,0,1]=4 377 B8R1.19 CC1(C)CCNC1=O D13691 [0,1,0,0,1,0|1,0,1]=4 378 B10R1.275 O=C1CCCCC(O)=C1F F59968 [0,1,0,0,0,1|1,0,0]=3 379 B10R1.2 CN1C(=O)CCC[C@@H]1CN A27162 [0,2,0,0,0,0|1,0,1]=4 380 B10R1.114 CC1(C)C(=O)CCCC1=O D24284 [0,2,0,0,0,0|1,0,1]=4 381 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 C60664 [0,2,0,0,0,0|1,0,0]=3 382 B10R1.329 CC1(C)CC(=O)NC(=O)C1 D16646 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.329 CC1=CC(=O)CC(C)(C)C1 T60774 [0,2,0,0,0,0|0,0,0]=2 384 B10R1.63 CC1(C)CCC(=O)CC1=O D47019 [0,2,0,0,0,0|1,0,1]=4 385 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,0,1,1,0,0|1,0,0]=3 386 B8R1.7 CC(=O)C1CCCC1 C69351 [0,0,1,1,0,0|0,0,2]=4 387 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,0,1,1,0,0|2,0,0]=4 388 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,0,1,1,0,0|2,0,0]=4 389 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,0,1,1,0,0|2,0,0]=4 390 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,0,1,1,0,0|2,0,0]=4 391 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,0,1,1,0,0|2,0,0]=4 392 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,0,1,1,0,0|2,0,0]=4 393 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,0,1,1,0,0|2,0,0]=4 394 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,0,1,1,0,0|1,0,1]=4 395 B8R1.7 O=C(O)C1CCCC1 C23144 [0,0,1,1,0,0|1,0,1]=4 396 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,0,1,1,0,0|2,0,0]=4 397 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,0,1,1,0,0|2,0,0]=4 398 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,0,1,1,0,0|2,0,0]=4 399 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,0,1,1,0,0|2,0,0]=4 400 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,0,1,1,0,0|2,0,0]=4 401 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,0,1,1,0,0|2,0,0]=4 402 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,0,1,1,0,0|2,0,0]=4 403 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,0,1,1,0,0|2,0,0]=4 404 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,0,1,1,0,0|2,0,0]=4 405 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,1,1,0,0|0,0,2]=4 406 B8R1.22 O=C1CCCNCC1 H12307 [0,0,1,1,0,0|1,0,1]=4 407 B8R1.8 CCCC1=CC=CS1 P43744 [0,0,1,1,0,0|0,1,1]=4 408 B8R1.37 CCOC(=O)C1CC1 E41463 [0,0,1,1,0,0|1,0,1]=4 409 B8R2.18 O=C1CC2CC2C1 B43299 [1,0,0,1,0,0|0,0,2]=4 410 B8R2.34 C1=CC2CC1CN2 A13306 [1,0,0,1,0,0|1,0,1]=4 411 B8R2.34 C1=CC2CC1CN2 B30096 [1,0,0,1,0,0|1,0,1]=4 412 B10R2.71 O=C1CC2CCC(C1)C2 B10791 [0,0,0,1,0,1|0,0,2]=4 413 B10R2.178 O=C1NCC2CCC1C2 A43770 [0,0,0,1,0,1|0,0,2]=4 414 B10R2.62 O=C1CN2CCC1CC2 A17311 [0,1,0,1,0,0|1,0,1]=4 415 B10R2.62 O=C1NC2CCC1CC2 A11449 [0,1,0,1,0,0|1,0,1]=4 416 B10R2.534 O=C1CCCC2(CC2)C1 S60470 [0,1,0,1,0,0|0,0,2]=4 417 B10R2.534 O=C1CCCC2(CC2)N1 A43767 [0,1,0,1,0,0|1,0,1]=4 418 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,0,1,0,1,0|2,0,0]=4 419 B6R0.3 CCC(=O)N(C)C D67412 [0,0,1,0,1,0|1,0,0]=3 420 B6R0.3 CCN(C)C(=O)Cl E40250 [0,0,1,0,1,0|2,0,0]=4 421 B6R0.3 CCN(C)C(C)=O E40404 [0,0,1,0,1,0|1,0,0]=3 422 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,0,1,0,1,0|1,0,1]=4 423 B6R0.3 CN(C)C(=O)CBr B40249 [0,0,1,0,1,0|2,0,0]=4 424 B6R0.3 CN(C)C(=O)CN A39947 [0,0,1,0,1,0|2,0,0]=4 425 B6R0.3 CN(C)C(=O)CN A40307 [0,0,1,0,1,0|2,0,0]=4 426 B6R0.3 CN(C)C(=O)CN A61441 [0,0,1,0,1,0|2,0,0]=4 427 B6R0.3 CN(C)C(=O)CO H40267 [0,0,1,0,1,0|2,0,0]=4 428 B6R0.3 CON(C)C(C)=O M3307 [0,0,1,0,1,0|2,0,0]=4 429 B6R1.2 CC1=CC=CN1 M37933 [1,0,0,0,1,0|1,0,1]=4 430 B6R1.2 CC1=CC=CS1 M39179 [1,0,0,0,1,0|1,0,1]=4 431 B6R1.2 CC1=CC=NO1 M24354 [1,0,0,0,1,0|2,0,0]=4 432 B6R1.2 CC1=CNC=C1 M14657 [1,0,0,0,1,0|1,0,1]=4 433 B6R1.2 CC1=NCCC1 M41239 [1,0,0,0,1,0|1,0,0]=3 434 B6R1.2 CC1=NNC=C1 M36663 [1,0,0,0,1,0|2,0,0]=4 435 B6R1.2 CC1=NOC=C1 M40157 [1,0,0,0,1,0|2,0,0]=4 436 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,0,1,0|1,0,1]=4 437 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,0,1,0|1,0,1]=4 438 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,0,1,0|1,0,1]=4 439 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,0,1,0|1,0,1]=4 440 B6R1.2 NC1=NCCC1 D38561 [1,0,0,0,1,0|2,0,0]=4 441 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,0,1,0|0,0,0]=2 442 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,0,1,0|1,0,0]=3 443 B6R1.2 O=C1C=CNN1 P32282 [1,0,0,0,1,0|2,0,0]=4 444 B6R1.2 O=C1C=CSN1 T60536 [1,0,0,0,1,0|2,0,0]=4 445 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,0,1,0|0,0,2]=4 446 B6R1.2 O=C1CCNC1 P0198 [1,0,0,0,1,0|1,0,1]=4 447 B6R1.2 O=C1CCNN1 P39917 [1,0,0,0,1,0|2,0,0]=4 448 B6R1.2 O=C1CCOC1 X0391 [1,0,0,0,1,0|1,0,1]=4 449 B6R1.2 O=C1CCSC1 D10906 [1,0,0,0,1,0|1,0,1]=4 450 B6R1.2 O=C1NCCN1 K62398 [1,0,0,0,1,0|2,0,0]=4 451 B6R1.2 O=C1NCCS1 T39859 [1,0,0,0,1,0|2,0,0]=4 452 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,0,2,0|1,0,1]=4 453 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,0,2,0|1,0,1]=4 454 B6R1.5 CC1CC(=O)C1 M17286 [0,0,0,0,2,0|0,0,2]=4