0 B7R1.2 CC1=CC(=O)NN1 AC-624 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.2 CC1=CC(C)=NO1 AC-19469 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 CC1=CC(Cl)=NN1 AC-29466 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 CC1=CC(N)=NN1 AC-27837 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 CC1=CC=C(Br)S1 AC-16539 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.2 CC1=CC=C(C)S1 AC-18077 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.2 CC1=CN(C)C=N1 AC-28884 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 CC1=CN(C)N=C1 AC-4838 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 CC1=CN=C(Br)S1 AC-25232 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 CC1=CN=C(Cl)S1 AC-11528 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CC1=CN=C(N)S1 AC-31822 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 CC1=CNC(I)=N1 AC-27272 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 CC1=CSC(Br)=N1 AC-27363 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.2 CC1=CSC(Cl)=N1 AC-27364 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CC1=NC(I)=CN1 AC-26471 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 CC1=NC(N)=CN1 AC-27274 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 CC1=NN=C(S)S1 AC-13309 [0,0,0,0,0,0|3,1,0]=4 17 B7R1.2 CC1=NNC(=O)C1 AC-4810 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.2 CC1=NNC(Br)=C1 AC-29467 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.2 CC1=NNC(S)=N1 AC-13689 [0,0,0,0,0,0|3,1,0]=4 20 B7R1.2 CC1=NOC(N)=C1 AC-4824 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.2 CN1C=C(Br)C=N1 AC-3274 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.2 CN1C=C(Br)N=N1 AC-22995 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 CN1C=C(I)C=N1 AC-6391 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.2 CN1C=NC(I)=C1 AC-4601 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.2 CN1CCC(=O)C1 AC-7086 [0,0,0,0,0,0|1,0,1]=2 26 B7R1.2 CN1CCC(O)C1 AC-6615 [0,0,0,0,0,0|1,0,3]=4 27 B7R1.2 CN1CC[C@@H](O)C1 AC-6781 [0,0,0,0,0,0|1,0,3]=4 28 B7R1.2 CN1CC[C@H](O)C1 AC-7092 [0,0,0,0,0,0|1,0,3]=4 29 B7R1.2 C[C@H]1COC(=O)O1 AC-26820 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.2 NC1=NC(=O)CS1 AC-33843 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.2 O=C1CCC(=O)C1 AC-1796 [0,0,0,0,0,0|1,0,1]=2 32 B7R1.2 O=C1CSC(=O)N1 AC-3453 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.2 O=C1CSC(=S)N1 AC-18191 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.2 O=C1C[C@@H](O)CO1 AC-13892 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.2 O=C1C[C@H](O)CN1 AC-3373 [0,0,0,0,0,0|2,0,2]=4 36 B7R1.2 O=C1C[C@H](O)CO1 AC-13891 [0,0,0,0,0,0|2,0,2]=4 37 B7R1.2 OC1=NSC(Cl)=C1 AC-27178 [0,0,0,0,0,0|3,0,1]=4 38 B6R1.2 BrC1=CC=CO1 AC-25233 [1,0,0,0,0,0|2,0,1]=4 39 B6R1.2 BrC1=CC=CS1 AC-194 [1,0,0,0,0,0|2,0,1]=4 40 B6R1.2 BrC1=CSC=C1 AC-4899 [1,0,0,0,0,0|2,0,1]=4 41 B6R1.2 BrC1=NNC=C1 AC-3226 [1,0,0,0,0,0|3,0,0]=4 42 B6R1.2 BrC1=NSC=C1 AC-29635 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 CC1=CC=CS1 AC-16543 [1,0,0,0,0,0|1,0,1]=3 44 B6R1.2 CC1=CNC=N1 AC-4534 [1,0,0,0,0,0|2,0,1]=4 45 B6R1.2 CC1=CNN=C1 AC-4833 [1,0,0,0,0,0|2,0,1]=4 46 B6R1.2 CC1=NNC=C1 AC-2646 [1,0,0,0,0,0|2,0,0]=3 47 B6R1.2 CC1=NNC=N1 AC-25500 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 CC1CCCN1 AC-626 [1,0,0,0,0,0|1,0,2]=4 49 B6R1.2 CN1C=CC=N1 AC-4832 [1,0,0,0,0,0|2,0,1]=4 50 B6R1.2 C[C@@H]1CCCN1 AC-6782 [1,0,0,0,0,0|1,0,2]=4 51 B6R1.2 C[C@H]1CCCN1 AC-25577 [1,0,0,0,0,0|1,0,2]=4 52 B6R1.2 ClC1=CC=CS1 AC-4913 [1,0,0,0,0,0|2,0,1]=4 53 B6R1.2 ClC1=CSC=C1 AC-4914 [1,0,0,0,0,0|2,0,1]=4 54 B6R1.2 FC1=CC=CS1 AC-1048 [1,0,0,0,0,0|2,0,1]=4 55 B6R1.2 IC1=CC=CS1 AC-4904 [1,0,0,0,0,0|2,0,1]=4 56 B6R1.2 IC1=NNC=C1 AC-30770 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 NC1=CSC=C1 AC-1686 [1,0,0,0,0,0|2,0,1]=4 58 B6R1.2 NC1=NCCC1 AC-23074 [1,0,0,0,0,0|2,0,1]=4 59 B6R1.2 NC1=NNC=C1 AC-4837 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 NC1=NOC=C1 AC-025 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 O=C1C=CSN1 AC-25099 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 O=C1CC=NN1 AC-11517 [1,0,0,0,0,0|2,0,1]=4 63 B6R1.2 O=C1CCNC1 AC-22609 [1,0,0,0,0,0|1,0,1]=3 64 B6R1.2 O=C1N=CNN1 AC-23643 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 O=C1NC=CN1 AC-4326 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.1 CC1=CC(C=O)=NN1 AC-27331 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.1 CC1=CC(C=O)=NO1 AC-24552 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.1 CC1=CC(CO)=NN1 AC-27316 [0,1,0,0,0,0|2,0,1]=4 69 B8R1.1 CC1=CC(CO)=NO1 AC-24551 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.1 CC1=CC=C(C=O)O1 AC-34339 [0,1,0,0,0,0|1,0,2]=4 71 B8R1.1 CC1=CC=C(C=O)S1 AC-7208 [0,1,0,0,0,0|1,0,2]=4 72 B8R1.1 CC1=CN=C(C=O)S1 AC-27892 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.1 CC1=NC(C=O)=CN1 AC-30325 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.1 CN1C=C(C=O)C=N1 AC-6392 [0,1,0,0,0,0|2,0,1]=4 75 B8R1.1 COC1=CC(N)=NO1 AC-5606 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.1 NCC1=CC(O)=NO1 AC-35275 [0,1,0,0,0,0|2,0,1]=4 77 B8R1.1 O=C1CC(CO)CN1 AC-25592 [0,1,0,0,0,0|1,0,2]=4 78 B8R1.1 O=C1CC[C@@H](CO)O1 AC-6630 [0,1,0,0,0,0|1,0,1]=3 79 B8R1.1 O=C1CC[C@H](CO)N1 AC-4424 [0,1,0,0,0,0|1,0,1]=3 80 B8R1.1 O=C1CC[C@H](CO)O1 AC-6629 [0,1,0,0,0,0|1,0,1]=3 81 B8R1.1 O=C1C[C@H](CF)CO1 AC-30716 [0,1,0,0,0,0|1,0,2]=4 82 B8R1.1 O=C1NN=C(CCl)N1 AC-23960 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.1 O=CC1=CC(Br)=CS1 AC-2660 [0,1,0,0,0,0|2,0,1]=4 84 B8R1.18 CC1=C(C)OC(=O)O1 AC-1826 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.18 CC1=CC(=O)OC1O AC-505 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.18 CC1=CC(C)=NN1C AC-4834 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.18 CC1=CC(N)=NN1C AC-28108 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.18 CC1=NN(C)C(Br)=C1 AC-28107 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.18 CC1=NN(C)C(N)=C1 AC-28105 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.18 CN1CC(=O)N=C1N AC-34371 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.18 CN1CC(=O)NC1=O AC-34375 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.18 NN1CC(=O)NC1=O AC-10014 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.50 CC1=C(C)C(N)=NO1 AC-25136 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.50 CC1=C(O)C(=O)CO1 AC-14026 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.50 CC1=CSC(Br)=C1Br AC-22783 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.50 CC1=NNC(C)=C1Br AC-4818 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.50 CC1=NNC(C)=C1I AC-4815 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.50 CC1=NNC(N)=C1Br AC-16263 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.50 CC1=NOC(C)=C1Br AC-7021 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.50 CC1=NOC(C)=C1I AC-4823 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.50 CC1=NOC(N)=C1C AC-19048 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.50 CC1=NOC(N)=C1Cl AC-27549 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.50 CN1C(=O)CCC1=O AC-15701 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.50 CN1CC[N+](C)=C1Cl AC-24867 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.50 CN1CC[N+](C)=C1Cl AC-24868 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.50 CN1CC[N+](C)=C1F AC-24870 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.50 O=C1CCC(=O)N1I AC-534 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.50 O=C1CCC(=O)N1O AC-10509 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.50 O=C1CCC(=O)N1O AC-15786 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.50 O=C1SSC(Cl)=C1Cl AC-6163 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.1 CCOC(=O)CN AC-24102 [0,0,1,0,0,0|2,0,1]=4 112 B6R0.1 CNCC(=O)OC AC-8684 [0,0,1,0,0,0|2,0,1]=4 113 B6R0.2 CC(=O)\C=C(\C)[O-] AC-1042 [0,0,1,0,0,0|1,0,0]=2 114 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24213 [0,0,1,0,0,0|1,0,0]=2 115 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24214 [0,0,1,0,0,0|1,0,0]=2 116 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24217 [0,0,1,0,0,0|1,0,0]=2 117 B6R0.2 CC(=O)\C=C(\C)[O-] AC-5526 [0,0,1,0,0,0|1,0,0]=2 118 B6R0.2 CC(=O)\C=C(\C)[O-] AC-5536 [0,0,1,0,0,0|1,0,0]=2 119 B6R0.2 CC(C)=CB(O)O AC-33882 [0,0,1,0,0,0|2,0,1]=4 120 B6R0.2 CN(C)CC(=O)O AC-30735 [0,0,1,0,0,0|2,0,1]=4 121 B6R0.4 O=C(O)CCCBr AC-6279 [0,0,1,0,0,0|2,0,1]=4 122 B8R1.3 CC1=CC=C(Br)N=C1 AC-2426 [0,0,0,0,0,1|1,0,2]=4 123 B8R1.3 CC1=CC=C(Br)N=N1 AC-26541 [0,0,0,0,0,1|3,0,0]=4 124 B8R1.3 CC1=CC=C(Cl)C=C1 AC-14711 [0,0,0,0,0,1|1,0,2]=4 125 B8R1.3 CC1=CC=C(Cl)N=N1 AC-3006 [0,0,0,0,0,1|3,0,0]=4 126 B8R1.3 CC1=CC=C(F)C=N1 AC-5403 [0,0,0,0,0,1|1,0,2]=4 127 B8R1.3 CC1=CC=C(I)C=C1 AC-25936 [0,0,0,0,0,1|1,0,2]=4 128 B8R1.3 CC1=CC=C(N)N=N1 AC-3083 [0,0,0,0,0,1|3,0,0]=4 129 B8R1.3 CC1=CC=C(O)C=N1 AC-5086 [0,0,0,0,0,1|0,0,3]=4 130 B8R1.3 CC1=CN=C(C)C=N1 AC-10703 [0,0,0,0,0,1|2,0,1]=4 131 B8R1.3 CC1=CN=C(Cl)C=C1 AC-10768 [0,0,0,0,0,1|1,0,2]=4 132 B8R1.3 CC1=CN=C(Cl)N=C1 AC-248 [0,0,0,0,0,1|2,0,1]=4 133 B8R1.3 CC1=CN=C(N)C=C1 AC-4664 [0,0,0,0,0,1|1,0,2]=4 134 B8R1.3 CC1=CN=C(N)C=N1 AC-7649 [0,0,0,0,0,1|2,0,1]=4 135 B8R1.3 CC1=CN=C(O)C=C1 AC-5127 [0,0,0,0,0,1|0,0,3]=4 136 B8R1.3 CC1=NC=C(Br)C=C1 AC-2557 [0,0,0,0,0,1|1,0,2]=4 137 B8R1.3 CC1=NC=C(Br)C=N1 AC-25254 [0,0,0,0,0,1|2,0,1]=4 138 B8R1.3 CC1=NC=C(Br)N=C1 AC-26943 [0,0,0,0,0,1|2,0,1]=4 139 B8R1.3 CC1=NC=C(N)C=C1 AC-1596 [0,0,0,0,0,1|1,0,2]=4 140 B8R1.3 CC1=NC=C(N)C=N1 AC-4749 [0,0,0,0,0,1|2,0,1]=4 141 B8R1.3 CC1=NC=C(O)C=N1 AC-22327 [0,0,0,0,0,1|1,0,2]=4 142 B8R1.3 CC1=NNC(=O)C=C1 AC-26540 [0,0,0,0,0,1|2,0,0]=3 143 B8R1.3 CC1=NNC(=O)C=C1 AC-8383 [0,0,0,0,0,1|2,0,0]=3 144 B8R1.3 CC1=NNC(=O)CC1 AC-8382 [0,0,0,0,0,1|1,0,0]=2 145 B8R1.3 CN1CCC(=O)CC1 AC-15424 [0,0,0,0,0,1|1,0,1]=3 146 B8R1.3 O=C1C=CC(Cl)=NN1 AC-1019 [0,0,0,0,0,1|3,0,0]=4 147 B8R1.3 O=C1C=CC(O)=CN1 AC-33445 [0,0,0,0,0,1|1,0,2]=4 148 B8R1.4 CC1=CC(Br)=CC=C1 AC-13058 [0,0,0,0,0,1|1,0,2]=4 149 B8R1.4 CC1=CC(Br)=NC=C1 AC-2539 [0,0,0,0,0,1|1,0,2]=4 150 B8R1.4 CC1=CC(C)=NC=C1 AC-26213 [0,0,0,0,0,1|1,0,2]=4 151 B8R1.4 CC1=CC(C)=NC=N1 AC-26661 [0,0,0,0,0,1|2,0,1]=4 152 B8R1.4 CC1=CC(Cl)=NC=N1 AC-8954 [0,0,0,0,0,1|2,0,1]=4 153 B8R1.4 CC1=CC(F)=NC=C1 AC-451 [0,0,0,0,0,1|1,0,2]=4 154 B8R1.4 CC1=CC(N)=CN=C1 AC-24961 [0,0,0,0,0,1|1,0,2]=4 155 B8R1.4 CC1=CC(N)=NC=C1 AC-2481 [0,0,0,0,0,1|1,0,2]=4 156 B8R1.4 CC1=CC(N)=NC=N1 AC-31811 [0,0,0,0,0,1|2,0,1]=4 157 B8R1.4 CC1=CC(N)=NN=C1 AC-25138 [0,0,0,0,0,1|2,0,1]=4 158 B8R1.4 CC1=CC(O)=CC=C1 AC-14350 [0,0,0,0,0,1|0,0,3]=4 159 B8R1.4 CC1=CC(O)=NC=C1 AC-5128 [0,0,0,0,0,1|0,0,3]=4 160 B8R1.4 CC1=CC(O)=NC=N1 AC-22854 [0,0,0,0,0,1|1,0,2]=4 161 B8R1.4 CC1=CC=NC(Cl)=C1 AC-3282 [0,0,0,0,0,1|1,0,2]=4 162 B8R1.4 CC1=CN=CC(Br)=C1 AC-5427 [0,0,0,0,0,1|1,0,2]=4 163 B8R1.4 CC1=CN=CC(C)=C1 AC-15531 [0,0,0,0,0,1|1,0,2]=4 164 B8R1.4 CC1=CN=NC(Cl)=C1 AC-24527 [0,0,0,0,0,1|2,0,1]=4 165 B8R1.4 CC1=CN=NC(O)=C1 AC-24525 [0,0,0,0,0,1|1,0,2]=4 166 B8R1.4 CC1=NC=CC(Br)=C1 AC-188 [0,0,0,0,0,1|1,0,2]=4 167 B8R1.4 CC1=NC=CC(Cl)=C1 AC-6249 [0,0,0,0,0,1|1,0,2]=4 168 B8R1.4 CC1=NC=CC(N)=C1 AC-3013 [0,0,0,0,0,1|1,0,2]=4 169 B8R1.4 CC1=NC=CC(O)=C1 AC-1911 [0,0,0,0,0,1|0,0,3]=4 170 B8R1.4 CC1=NC=NC(Cl)=C1 AC-12223 [0,0,0,0,0,1|2,0,1]=4 171 B8R1.4 CN1CCNC(=O)C1 AC-25624 [0,0,0,0,0,1|1,0,1]=3 172 B8R1.4 NC1CCNC(=O)C1 AC-26388 [0,0,0,0,0,1|1,0,2]=4 173 B8R1.4 NC1CCNC(=O)C1 AC-5057 [0,0,0,0,0,1|1,0,2]=4 174 B8R1.4 O=C1C=C(Br)C=CN1 AC-23518 [0,0,0,0,0,1|1,0,2]=4 175 B8R1.4 O=C1C=C(Cl)C=NN1 AC-23595 [0,0,0,0,0,1|2,0,1]=4 176 B8R1.4 O=C1C=C(I)C=NN1 AC-25204 [0,0,0,0,0,1|2,0,1]=4 177 B8R1.4 O=C1CC(O)CCN1 AC-7497 [0,0,0,0,0,1|1,0,2]=4 178 B8R1.4 O=C1CCCC(=O)C1 AC-6960 [0,0,0,0,0,1|1,0,1]=3 179 B8R1.4 O=C1CCNC(=O)C1 AC-22759 [0,0,0,0,0,1|1,0,1]=3 180 B5R0.1 C(Cl)CC(=O)O AC-16131 [1,0,1,0,0,0|2,0,0]=4 181 B5R0.1 CCCC(N)=[NH2+] AC-3370 [1,0,1,0,0,0|2,0,0]=4 182 B5R0.1 O=C(O)CCS AC-4722 [1,0,1,0,0,0|2,0,0]=4 183 B5R0.3 C(=O)C(=O)OC AC-591 [1,0,1,0,0,0|2,0,0]=4 184 B5R0.3 COC(=O)CF AC-590 [1,0,1,0,0,0|2,0,0]=4 185 B5R0.3 COC(=O)CN AC-19215 [1,0,1,0,0,0|2,0,0]=4 186 B5R1.1 C1=CCNC1 AC-22446 [2,0,0,0,0,0|1,0,1]=4 187 B5R1.1 C1=CON=C1 AC-16452 [2,0,0,0,0,0|2,0,0]=4 188 B7R0.7 CCOC(=O)CC=O AC-5296 [0,1,1,0,0,0|1,0,1]=4 189 B7R0.7 CCOC(=O)CCN AC-19163 [0,1,1,0,0,0|1,0,1]=4 190 B7R0.16 CN(C)C(=O)C(=O)O AC-29211 [0,1,1,0,0,0|2,0,0]=4 191 B7R0.4 C=CCNCC(=O)O AC-9106 [0,1,1,0,0,0|1,0,1]=4 192 B7R0.4 NCCCCC(=O)O AC-6337 [0,1,1,0,0,0|1,0,1]=4 193 B7R0.4 O=C(O)CCCCBr AC-1769 [0,1,1,0,0,0|1,0,1]=4 194 B7R0.6 CC(=O)NCC(=O)O AC-24104 [0,1,1,0,0,0|2,0,0]=4 195 B7R1.1 BrCC1=CSC=C1 AC-28055 [1,1,0,0,0,0|1,0,1]=4 196 B7R1.1 CCC1=CC=CS1 AC-16553 [1,1,0,0,0,0|1,0,1]=4 197 B7R1.1 CCC1=CNC=C1 AC-13937 [1,1,0,0,0,0|1,0,1]=4 198 B7R1.1 CCC1=CSC=C1 AC-4944 [1,1,0,0,0,0|1,0,1]=4 199 B7R1.1 COC1=CC=CS1 AC-4909 [1,1,0,0,0,0|1,0,1]=4 200 B7R1.1 COC1=CSC=C1 AC-4908 [1,1,0,0,0,0|1,0,1]=4 201 B7R1.1 NCC1=CC=CS1 AC-15711 [1,1,0,0,0,0|1,0,1]=4 202 B7R1.1 NCC1=CC=NO1 AC-25324 [1,1,0,0,0,0|2,0,0]=4 203 B7R1.1 NCC1=NNC=C1 AC-6390 [1,1,0,0,0,0|2,0,0]=4 204 B7R1.1 O=CC1=CC=CN1 AC-4316 [1,1,0,0,0,0|1,0,1]=4 205 B7R1.1 O=CC1=CC=CS1 AC-4923 [1,1,0,0,0,0|1,0,1]=4 206 B7R1.1 O=CC1=CC=NN1 AC-14384 [1,1,0,0,0,0|2,0,0]=4 207 B7R1.1 O=CC1=CCCC1 AC-33806 [1,1,0,0,0,0|0,0,1]=3 208 B7R1.1 O=CC1=CNC=C1 AC-4315 [1,1,0,0,0,0|1,0,1]=4 209 B7R1.1 O=CC1=CSC=C1 AC-4906 [1,1,0,0,0,0|1,0,1]=4 210 B7R1.1 OCC1=CSC=C1 AC-4927 [1,1,0,0,0,0|1,0,1]=4 211 B7R1.1 OCC1=NNC=C1 AC-23069 [1,1,0,0,0,0|2,0,0]=4 212 B7R1.4 BrC1=C(Br)CCC1 AC-18439 [1,1,0,0,0,0|1,0,1]=4 213 B7R1.4 CC1=C(Br)SC=C1 AC-18074 [1,1,0,0,0,0|1,0,1]=4 214 B7R1.4 CC1=C(Cl)SC=C1 AC-4903 [1,1,0,0,0,0|1,0,1]=4 215 B7R1.4 CC1=CSC=C1Br AC-6950 [1,1,0,0,0,0|1,0,1]=4 216 B7R1.4 CC1=NNC=C1Br AC-4816 [1,1,0,0,0,0|2,0,0]=4 217 B7R1.4 CC1=NNC=C1I AC-4812 [1,1,0,0,0,0|2,0,0]=4 218 B7R1.4 CC1OCCC1=O AC-8268 [1,1,0,0,0,0|1,0,1]=4 219 B7R1.4 CN1CCN=C1S AC-15625 [1,1,0,0,0,0|2,0,0]=4 220 B7R1.4 NC1CCNC1=O AC-29504 [1,1,0,0,0,0|1,0,1]=4 221 B7R1.4 NC1CCSC1=O AC-31997 [1,1,0,0,0,0|1,0,1]=4 222 B7R1.4 N[C@@H]1CCNC1=O AC-24599 [1,1,0,0,0,0|1,0,1]=4 223 B7R1.4 N[C@@H]1CCNC1=O AC-29229 [1,1,0,0,0,0|1,0,1]=4 224 B7R1.4 N[C@@H]1CCOC1=O AC-23765 [1,1,0,0,0,0|1,0,1]=4 225 B7R1.4 N[C@@H]1CONC1=O AC-4721 [1,1,0,0,0,0|2,0,0]=4 226 B7R1.4 N[C@H]1CCOC1=O AC-5669 [1,1,0,0,0,0|1,0,1]=4 227 B7R1.4 O=C1CCCC1Br AC-22966 [1,1,0,0,0,0|0,0,2]=4 228 B7R1.4 O=C1NCC[C@@H]1O AC-24360 [1,1,0,0,0,0|1,0,1]=4 229 B7R1.4 O=C1OCCC1Br AC-18401 [1,1,0,0,0,0|1,0,1]=4 230 B9R1.1 CC1=CC=C(C=O)C=C1 AC-16956 [0,1,0,0,0,1|0,0,2]=4 231 B9R1.1 CC1=CC=C(C=O)C=N1 AC-8101 [0,1,0,0,0,1|0,0,2]=4 232 B9R1.1 CC1=CN=C(C=O)C=C1 AC-33344 [0,1,0,0,0,1|0,0,2]=4 233 B9R1.1 CC1=NC=C(C=O)C=N1 AC-9293 [0,1,0,0,0,1|1,0,1]=4 234 B9R1.1 O=C1C=CC(CO)=CN1 AC-25117 [0,1,0,0,0,1|0,0,2]=4 235 B9R1.10 CC1(C)C=CC(=O)CC1 AC-7019 [0,1,0,0,0,1|0,0,1]=3 236 B9R1.69 CC1=CNC(=O)NC1=O AC-7756 [0,1,0,0,0,1|1,0,1]=4 237 B9R1.69 CC1CN(C)CCC1=O AC-6515 [0,1,0,0,0,1|1,0,1]=4 238 B9R1.69 NC1CCC(=O)NC1=O AC-22354 [0,1,0,0,0,1|1,0,1]=4 239 B9R1.69 NC1CCC(=O)NC1=O AC-22355 [0,1,0,0,0,1|1,0,1]=4 240 B9R1.2 CC1=CC(C=O)=CC=C1 AC-2438 [0,1,0,0,0,1|0,0,2]=4 241 B9R1.2 CC1=CC(C=O)=NC=C1 AC-33345 [0,1,0,0,0,1|0,0,2]=4 242 B9R1.2 CC1=CN=CC(C=O)=C1 AC-27879 [0,1,0,0,0,1|0,0,2]=4 243 B9R1.34 CC1=CC(=O)C=C(C)O1 AC-24427 [0,1,0,0,0,1|0,0,2]=4 244 B9R1.34 CC1=CC(=O)C=C(O)O1 AC-27196 [0,1,0,0,0,1|0,0,2]=4 245 B9R1.34 CC1=CC(=O)NC(=O)N1 AC-2536 [0,1,0,0,0,1|1,0,1]=4 246 B9R1.34 CC1=CC(=O)NC(C)=C1 AC-33364 [0,1,0,0,0,1|0,0,2]=4 247 B9R1.34 CC1=NC(=O)CC(O)=C1 AC-27064 [0,1,0,0,0,1|0,0,2]=4 248 B9R1.7 CCOC1CCC(=O)N1 AC-13939 [0,2,0,0,0,0|1,0,1]=4 249 B9R1.22 CC1=NN(C)C(C=O)=C1 AC-9359 [0,2,0,0,0,0|2,0,0]=4 250 B9R1.23 CC1=CC(C=O)=NN1C AC-27330 [0,2,0,0,0,0|2,0,0]=4 251 B9R1.35 CC(=O)C1=CC(C)=NO1 AC-27548 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.35 CC1=CC(C(=O)O)=NN1 AC-23127 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.35 CC1=CC(C(=O)O)=NO1 AC-22739 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.35 CC1=CC(C(N)=O)=NN1 AC-28100 [0,2,0,0,0,0|2,0,0]=4 255 B9R1.35 CC1=CNC(C(=O)O)=C1 AC-6349 [0,2,0,0,0,0|1,0,1]=4 256 B9R1.35 CC1=NOC(C(=O)O)=C1 AC-23153 [0,2,0,0,0,0|2,0,0]=4 257 B9R1.37 CC1=C(C)C(=O)OC1=O AC-1533 [0,2,0,0,0,0|1,0,1]=4 258 B9R1.37 CC1=C(O)C(=O)C(C)O1 AC-14027 [0,2,0,0,0,0|1,0,0]=3 259 B9R1.37 CC1OC(=O)C(O)=C1O AC-14028 [0,2,0,0,0,0|2,0,0]=4 260 B9R1.27 CCC1=C(C)CNC1=O AC-23984 [0,2,0,0,0,0|1,0,0]=3 261 B7R1.3 O=C1C=CCCN1 AC-30520 [0,0,1,1,0,0|1,0,0]=3 262 B7R1.3 O=C1CCCCN1 AC-33837 [0,0,1,1,0,0|1,0,1]=4 263 B7R1.3 O=C1CCCNC1 AC-1207 [0,0,1,1,0,0|1,0,1]=4 264 B7R1.18 NC(=O)C1CCC1 AC-29431 [0,0,1,1,0,0|1,0,1]=4 265 B7R1.18 O=C(O)C1CCC1 AC-27351 [0,0,1,1,0,0|1,0,1]=4 266 B7R1.18 O=C(O)C1CNC1 AC-5893 [0,0,1,1,0,0|2,0,0]=4 267 B9R2.25 O=C1OC(=O)C2CC12 AC-28802 [0,0,0,1,0,1|2,0,0]=4 268 B5R0.5 CC(=O)C(=O)[O-] AC-20029 [0,0,1,0,1,0|2,0,0]=4 269 B5R1.2 O=C1CSC1 AC-33700 [1,0,0,0,1,0|1,0,1]=4 270 B9R1.49 CN1CCCC(=O)CC1 AC-2729 [0,0,0,0,0,2|1,0,1]=4