0 B8R1.4 CC1=CC(=O)NC=C1 1445642 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.4 CC1=CC(C)=NC=C1 2825693 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.4 CC1=CC(C)=NC=N1 5009564 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.4 CC1=CC(Cl)=NC=C1 22430560 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.4 CC1=CC(N)=CC=N1 1496346 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.4 CC1=CC(N)=CC=N1 1500240 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.4 CC1=CC(O)=CC=C1 2825708 [0,0,0,0,0,0|0,0,4]=4 7 B8R1.4 CC1=CC=CC(Br)=C1 1287409 [0,0,0,0,0,0|1,0,3]=4 8 B8R1.4 CC1=CC=CC(C)=C1 2825677 [0,0,0,0,0,0|1,0,3]=4 9 B8R1.4 CC1=CC=CC(Cl)=C1 2826369 [0,0,0,0,0,0|1,0,3]=4 10 B8R1.4 CC1=CC=CC(N)=C1 3585811 [0,0,0,0,0,0|1,0,3]=4 11 B8R1.4 CC1=CC=NC(N)=C1 7015122364 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.4 CC1=CN=CC(Br)=C1 22430615 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.4 CC1=CN=CC(C)=C1 6057011 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.4 CC1=NC=NC(O)=C1 3354285 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.4 CC1CCCC(C)N1 2825877 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.4 CC1CCCC(O)C1 2825921 [0,0,0,0,0,0|0,0,4]=4 17 B8R1.4 NC1=CC(=O)CCC1 2825776 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.4 O=C1CCCC(=O)C1 2825803 [0,0,0,0,0,0|1,0,1]=2 19 B8R1.4 O=C1CCCC(=O)O1 2825888 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.4 O=C1CCNC(=O)C1 4061229 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.4 O=C1COCC(=O)O1 2825975 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 CC1=CC=CC=C1 3585912 [1,0,0,0,0,0|0,0,3]=4 23 B7R1.3 CC1=CC=NC=C1 2825452 [1,0,0,0,0,0|1,0,2]=4 24 B7R1.3 CC1=CC=NC=N1 5791887 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.3 CC1=CN=CC=C1 2825453 [1,0,0,0,0,0|1,0,2]=4 26 B7R1.3 CC1=NC=CC=C1 2825451 [1,0,0,0,0,0|1,0,2]=4 27 B7R1.3 CC1CCCCN1 1188004 [1,0,0,0,0,0|1,0,2]=4 28 B7R1.3 CC1CCCNC1 2825545 [1,0,0,0,0,0|1,0,2]=4 29 B7R1.3 O=C1C=CC=CN1 2024672 [1,0,0,0,0,0|1,0,2]=4 30 B7R1.3 O=C1C=CCCC1 2816713 [1,0,0,0,0,0|0,0,0]=1 31 B7R1.3 O=C1CCCCC1 2825514 [1,0,0,0,0,0|0,0,2]=3 32 B7R1.3 O=C1CCCCO1 22430347 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.3 O=C1CCCNC1 4666770 [1,0,0,0,0,0|1,0,1]=3 34 B7R1.3 O=C1CCNCC1 2829687 [1,0,0,0,0,0|1,0,2]=4 35 B7R1.3 O=C1CCNCC1 4434999 [1,0,0,0,0,0|1,0,2]=4 36 B7R1.3 O=C1CCOCC1 2816764 [1,0,0,0,0,0|1,0,2]=4 37 B7R1.3 O=C1CSC=CN1 1317167 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.2 CC1=CC=CC(C=O)=C1 1901706 [0,1,0,0,0,0|0,0,3]=4 39 B9R1.2 O=C1C\C(=N/O)CCN1 7135489 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.3 CC1=C(O)C(=O)C=CO1 1528879 [0,1,0,0,0,0|1,0,2]=4 41 B9R1.3 CC1C(=O)CCCC1=O 5980484 [0,1,0,0,0,0|1,0,1]=3 42 B9R1.3 O=C1CCCC(=O)C1Br 7216640533 [0,1,0,0,0,0|1,0,1]=3 43 B9R1.34 CC1=CC(=O)CC(=O)O1 3354531 [0,1,0,0,0,0|1,0,1]=3 44 B9R1.34 CC1=CC(=O)NC(=O)N1 1312678 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.34 CC1=CC(=O)NC(=S)N1 5970172 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.34 CC1=CC(=O)NC(N)=N1 7216101167 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.34 CC1=CC(=O)NC(S)=N1 4434947 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.66 CC1(C)COCC(=O)N1 1032197 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.69 CC1=CC(=O)NC=C1Br 2030883 [0,1,0,0,0,0|1,0,2]=4 50 B9R1.69 CN1CCC(N)=NC1=O 2212344 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.69 NC1CCC(=O)NC1=O 11186120 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.2 CC(=O)NC(C)CO 1272770 [0,0,1,0,0,0|2,0,1]=4 53 B7R0.2 CC(C)NC(=O)CCl 7020410060 [0,0,1,0,0,0|2,0,1]=4 54 B7R0.2 CCC(=O)OC(C)=O 22430373 [0,0,1,0,0,0|2,0,0]=3 55 B7R0.2 COC(=O)CC(C)=O 2825978 [0,0,1,0,0,0|2,0,1]=4 56 B7R0.2 COC(=O)\C=C(\C)N 4434985 [0,0,1,0,0,0|2,0,0]=3 57 B7R0.4 C=CCSCC(=O)O 1193528 [0,0,1,0,0,0|2,0,1]=4 58 B7R0.4 CC(=O)CCCC#N 1287039 [0,0,1,0,0,0|1,0,2]=4 59 B7R0.4 CCCCNC(N)=O 1778647 [0,0,1,0,0,0|2,0,1]=4 60 B7R0.4 CSCCCC(=O)O 2122646 [0,0,1,0,0,0|2,0,0]=3 61 B7R0.4 NCCCCC(=O)O 2817193 [0,0,1,0,0,0|2,0,1]=4 62 B7R0.4 NOCCCC(=O)O 6850961 [0,0,1,0,0,0|3,0,0]=4 63 B7R0.4 O=C(O)CCCCBr 22430367 [0,0,1,0,0,0|2,0,1]=4 64 B7R0.7 CCNC(=O)OCC 5970184 [0,0,1,0,0,0|2,0,1]=4 65 B7R0.7 CCOC(=O)CCBr 2840543 [0,0,1,0,0,0|2,0,1]=4 66 B7R0.7 CCOC(=O)CCN 2820522 [0,0,1,0,0,0|2,0,1]=4 67 B7R0.7 CCOC(=O)CNC 3664753 [0,0,1,0,0,0|2,0,1]=4 68 B7R0.7 CCOC(=O)CSC 2827017 [0,0,1,0,0,0|2,0,1]=4 69 B7R0.7 CCOC(=O)OCC 2826061 [0,0,1,0,0,0|2,0,1]=4 70 B7R1.2 CC1=CC(=O)CC1 2825479 [0,0,0,0,1,0|0,0,0]=1 71 B7R1.2 CC1=CC(C)=NO1 2825493 [0,0,0,0,1,0|3,0,0]=4 72 B7R1.2 CC1=CC(N)=NO1 7119850614 [0,0,0,0,1,0|3,0,0]=4 73 B7R1.2 CC1=CSC(=O)N1 2825947 [0,0,0,0,1,0|2,0,1]=4 74 B7R1.2 CC1=CSC(Br)=C1 4043755 [0,0,0,0,1,0|2,0,1]=4 75 B7R1.2 CC1=NNC(N)=C1 1196756 [0,0,0,0,1,0|3,0,0]=4 76 B7R1.2 CC1=NNC(N)=C1 15386131 [0,0,0,0,1,0|3,0,0]=4 77 B7R1.2 CC1=NNC(O)=C1 7118292268 [0,0,0,0,1,0|2,0,1]=4 78 B7R1.2 CC1=NOC(N)=C1 1778555 [0,0,0,0,1,0|3,0,0]=4 79 B7R1.2 CC1=NOC([O-])=C1 6001148 [0,0,0,0,1,0|2,0,1]=4 80 B7R1.2 CC1CCC(=O)O1 2816763 [0,0,0,0,1,0|1,0,1]=3 81 B7R1.2 CC1CNC(=O)O1 7139625 [0,0,0,0,1,0|2,0,1]=4 82 B7R1.2 CC1COC(=O)O1 2816808 [0,0,0,0,1,0|2,0,1]=4 83 B7R1.2 N=C1NC(=O)CS1 9078803 [0,0,0,0,1,0|3,0,0]=4 84 B7R1.2 O=C1CCC(=O)N1 2825527 [0,0,0,0,1,0|2,0,0]=3 85 B7R1.2 O=C1CCC(=O)O1 2825548 [0,0,0,0,1,0|2,0,0]=3 86 B7R1.2 O=C1CCC(O)O1 7133026 [0,0,0,0,1,0|2,0,1]=4 87 B7R1.2 O=C1CSC(=O)N1 7112440002 [0,0,0,0,1,0|3,0,0]=4 88 B7R1.4 CN1CCCC1=O 22430498 [0,0,0,0,1,0|1,0,0]=2 89 B7R1.4 NC1CCSC1=O 2829689 [0,0,0,0,1,0|2,0,1]=4 90 B6R0.1 C=CC(=O)OCC 2825559 [1,0,1,0,0,0|1,0,0]=3 91 B6R0.1 CCOC(=O)C=O 2816807 [1,0,1,0,0,0|2,0,0]=4 92 B6R0.1 CCOC(=O)CC 2825607 [1,0,1,0,0,0|1,0,1]=4 93 B6R0.1 CNCC(=O)OC 2267385 [1,0,1,0,0,0|2,0,0]=4 94 B6R0.1 COC(=O)CCN 2827416 [1,0,1,0,0,0|2,0,0]=4 95 B6R0.1 COC(=O)CCS 22430614 [1,0,1,0,0,0|2,0,0]=4 96 B6R0.1 C\C=C\C(=O)OC 22430575 [1,0,1,0,0,0|1,0,0]=3 97 B6R0.2 CC(=O)C=C(C)C 2825513 [1,0,1,0,0,0|0,0,0]=2 98 B6R0.2 CC(=O)CC(C)=O 2825554 [1,0,1,0,0,0|1,0,1]=4 99 B6R0.2 CC(=O)CC(C)C 1366516 [1,0,1,0,0,0|0,0,2]=4 100 B6R0.2 CC(C)=CC(=O)O 7017655456 [1,0,1,0,0,0|1,0,0]=3 101 B6R0.2 CC(C)=CC(N)=O 1375172 [1,0,1,0,0,0|1,0,0]=3 102 B6R0.2 CC(C)=C[N+](=O)[O-] 4061406 [1,0,1,0,0,0|2,0,0]=4 103 B6R0.4 CC(=O)CCCCl 1655122 [1,0,1,0,0,0|1,0,1]=4 104 B6R0.4 CCCCC(=O)O 2825609 [1,0,1,0,0,0|1,0,0]=3 105 B6R0.4 CCCCC(C)=O 1366517 [1,0,1,0,0,0|0,0,1]=3 106 B6R0.4 COCCC(=O)O 2816856 [1,0,1,0,0,0|2,0,0]=4 107 B6R0.4 CO\C=C\C(C)=O 6923419 [1,0,1,0,0,0|1,0,0]=3 108 B6R0.4 NC(=O)CCCCl 4787221 [1,0,1,0,0,0|2,0,0]=4 109 B6R0.4 NCCCC(=O)O 2825632 [1,0,1,0,0,0|2,0,0]=4 110 B6R0.4 NCCCC(N)=O 15298719 [1,0,1,0,0,0|2,0,0]=4 111 B6R0.4 O=C(Cl)CCCCl 2827553 [1,0,1,0,0,0|2,0,0]=4 112 B6R0.6 C=CCNCC=C 1868919 [1,0,1,0,0,0|1,0,1]=4 113 B6R0.6 O=CCCCC=O 2825552 [1,0,1,0,0,0|1,0,0]=3 114 B6R1.1 C1=CCCCC1 2825327 [2,0,0,0,0,0|0,0,1]=3 115 B6R1.1 C1=COCCC1 22430465 [2,0,0,0,0,0|1,0,0]=3 116 B8R0.5 CC(C)NC(=O)CCBr 1893728 [0,1,1,0,0,0|1,0,1]=4 117 B8R0.5 CCC\C(C)=C\C(=O)O 2270136 [0,1,1,0,0,0|1,0,0]=3 118 B8R0.5 CCOC(=O)C=C(C)C 22430283 [0,1,1,0,0,0|0,0,0]=2 119 B8R0.5 CCOC(=O)CC(C)=O 1778775 [0,1,1,0,0,0|1,0,1]=4 120 B8R0.5 CCOC(=O)\C=C(\C)N 7135558 [0,1,1,0,0,0|1,0,0]=3 121 B8R0.19 CCC(=O)CC(=O)OC 2826662 [0,1,1,0,0,0|1,0,1]=4 122 B8R0.19 CCC(=O)OC(=O)CC 3585812 [0,1,1,0,0,0|2,0,0]=4 123 B8R0.19 CCC(C)NC(=O)CCl 7020310254 [0,1,1,0,0,0|1,0,1]=4 124 B8R0.23 CC(C)OC(=O)C(C)Br 3585864 [0,1,1,0,0,0|1,0,1]=4 125 B8R0.7 CCCCCCC(=O)O 2826683 [0,1,1,0,0,0|1,0,1]=4 126 B8R0.7 CCCCCNC(N)=O 1778785 [0,1,1,0,0,0|1,0,1]=4 127 B8R0.7 CCCNCCC(=O)O 3644512 [0,1,1,0,0,0|1,0,1]=4 128 B8R0.7 COCCOCC(=O)O 2826982 [0,1,1,0,0,0|2,0,0]=4 129 B8R0.7 NCCCCCC(=O)O 2826759 [0,1,1,0,0,0|1,0,1]=4 130 B8R0.7 NCCCCCC(N)=O 1375201 [0,1,1,0,0,0|1,0,1]=4 131 B8R0.7 O=C(Cl)CCCCCCl 11186413 [0,1,1,0,0,0|1,0,1]=4 132 B8R0.7 O=C(O)CCCCCBr 972804 [0,1,1,0,0,0|1,0,1]=4 133 B8R0.7 O=C([O-])CCCCCCl 22430569 [0,1,1,0,0,0|1,0,1]=4 134 B8R0.8 CCCCC(Br)C(=O)O 2960273 [0,1,1,0,0,0|1,0,1]=4 135 B8R0.8 CCCCC(N)C(=O)O 2826762 [0,1,1,0,0,0|1,0,1]=4 136 B8R0.8 CSCCC(N)C(=O)O 2829008 [0,1,1,0,0,0|2,0,0]=4 137 B8R0.28 CC(=O)NCCC(=O)O 1046091 [0,1,1,0,0,0|2,0,0]=4 138 B8R0.1 CCOC(=O)CCCBr 2853598 [0,1,1,0,0,0|1,0,1]=4 139 B8R0.1 CCOC(=O)CCCN 2842633 [0,1,1,0,0,0|1,0,1]=4 140 B8R0.1 CCOC(=O)CCNC 2652681 [0,1,1,0,0,0|1,0,1]=4 141 B8R0.3 CCOC(=O)C(Br)CC 2960274 [0,1,1,0,0,0|1,0,1]=4 142 B8R1.3 CC1CCC(=O)CC1 2825819 [1,1,0,0,0,0|0,0,2]=4 143 B8R1.5 CC1CCCCC1=O 2825822 [1,1,0,0,0,0|0,0,2]=4 144 B8R1.5 O=C1CCCCC1Cl 2826931 [1,1,0,0,0,0|0,0,2]=4 145 B8R1.18 CC1=CC(=O)OC1=O 2825795 [0,1,0,0,1,0|1,0,1]=4 146 B8R1.18 NC1CC(=O)NC1=O 4666893 [0,1,0,0,1,0|2,0,0]=4 147 B8R1.50 O=C1CCC(=O)N1Br 2848559 [0,1,0,0,1,0|2,0,0]=4 148 B8R1.50 O=C1CCC(=O)N1Cl 2826976 [0,1,0,0,1,0|2,0,0]=4 149 B8R1.50 O=C1CCC(=O)N1I 3208351 [0,1,0,0,1,0|2,0,0]=4 150 B8R1.50 O=C1CCC(=O)N1O 2825936 [0,1,0,0,1,0|2,0,0]=4 151 B8R1.51 CC1(C)CCC(=O)C1 5728759 [0,1,0,0,1,0|0,0,2]=4 152 B8R1.11 C=CN1CCCC1=O 2825778 [0,1,0,0,1,0|1,0,1]=4 153 B8R1.11 N#CC1CCCC1=O 12405057 [0,1,0,0,1,0|0,0,2]=4 154 B10R1.162 O=C1CC(CO)CCCN1 6627359 [0,1,0,0,0,1|0,0,2]=4 155 B10R1.329 CC1(C)CC(=O)CC(=O)C1 2827454 [0,2,0,0,0,0|1,0,1]=4 156 B10R1.329 CC1(C)CC(=O)NC(=O)C1 2827580 [0,2,0,0,0,0|2,0,0]=4 157 B10R1.329 CC1=CC(=O)CC(C)(C)C1 2827275 [0,2,0,0,0,0|0,0,0]=2 158 B10R1.329 CC1=CC(=O)OC(C)(C)O1 2827720 [0,2,0,0,0,0|2,0,0]=4 159 B8R1.7 NC(=O)C1CCCC1 2825858 [0,0,1,1,0,0|1,0,1]=4 160 B8R1.7 O=C(O)C1CCCC1 12405450 [0,0,1,1,0,0|1,0,1]=4 161 B8R1.7 O=C(O)C1CCNC1 4061127 [0,0,1,1,0,0|2,0,0]=4 162 B8R1.22 O=C1CCCCCC1 22430549 [0,0,1,1,0,0|0,0,2]=4 163 B8R1.22 O=C1CCCCCO1 3585961 [0,0,1,1,0,0|1,0,1]=4 164 B8R1.22 O=C1CCCNCC1 5008389 [0,0,1,1,0,0|1,0,1]=4 165 B8R2.34 C1=CC2CCC1C2 2816693 [1,0,0,1,0,0|0,0,1]=3 166 B10R2.62 O=C1CN2CCC1CC2 8653762 [0,1,0,1,0,0|1,0,1]=4 167 B6R0.3 C=C(C)C(=O)OC 2825557 [0,0,1,0,1,0|1,0,1]=4 168 B6R0.3 CC(C)C(=O)CO 3515356 [0,0,1,0,1,0|1,0,1]=4 169 B6R0.3 CCC(C)C(=O)O 1202010 [0,0,1,0,1,0|1,0,1]=4 170 B6R0.3 CN(C)C(=O)CN 1778577 [0,0,1,0,1,0|2,0,0]=4 171 B6R0.3 COC(=O)C(C)C 2825605 [0,0,1,0,1,0|1,0,1]=4 172 B6R1.2 CC1=CC=CO1 2825319 [1,0,0,0,1,0|1,0,1]=4 173 B6R1.2 CC1=CC=CS1 2825522 [1,0,0,0,1,0|1,0,1]=4 174 B6R1.2 CC1=CC=NN1 5009700 [1,0,0,0,1,0|2,0,0]=4 175 B6R1.2 CC1=CSC=C1 2816743 [1,0,0,0,1,0|1,0,1]=4 176 B6R1.2 CC1=NNC=C1 2816612 [1,0,0,0,1,0|2,0,0]=4 177 B6R1.2 N=C1CCCN1 2825342 [1,0,0,0,1,0|2,0,0]=4 178 B6R1.2 O=C1C=CCC1 2825320 [1,0,0,0,1,0|0,0,0]=2 179 B6R1.2 O=C1CCCC1 2825338 [1,0,0,0,1,0|0,0,1]=3 180 B6R1.2 O=C1CCCN1 2825350 [1,0,0,0,1,0|1,0,0]=3 181 B6R1.2 O=C1CCCO1 2825356 [1,0,0,0,1,0|1,0,0]=3 182 B6R1.2 O=C1CCNC1 4061482 [1,0,0,0,1,0|1,0,1]=4 183 B6R1.2 O=C1NCCO1 2825377 [1,0,0,0,1,0|2,0,0]=4 184 B6R1.2 O=C1OCCO1 22430563 [1,0,0,0,1,0|2,0,0]=4 185 B6R1.5 C=C1CC(=O)O1 22430572 [0,0,0,0,2,0|1,0,1]=4 186 B10R1.77 O=C1CCCCCC(=O)O1 22430345 [0,0,0,0,0,2|2,0,0]=4