0 B6R1.2 BrC1=CC=CS1 MCULE-1364150691 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 BrC1=CC=NS1 MCULE-2346915540 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=CN=CS1 MCULE-2394006568 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 BrC1=CNC=N1 MCULE-7584078883 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 BrC1=COC=N1 MCULE-3389578396 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 BrC1=COC=N1 MCULE-5006735396 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 BrC1=COCC1 MCULE-8057569313 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 BrC1=CSC=N1 MCULE-6952917931 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 BrC1=NC=CN1 MCULE-6985395799 [0,0,0,0,0,0|2,0,2]=4 10 B6R1.2 BrC1=NC=CN1 MCULE-8632789036 [0,0,0,0,0,0|2,0,2]=4 11 B6R1.2 BrC1=NC=CO1 MCULE-2104886923 [0,0,0,0,0,0|1,1,2]=4 12 B6R1.2 BrC1=NC=CO1 MCULE-2745860961 [0,0,0,0,0,0|1,1,2]=4 13 B6R1.2 BrC1=NC=CS1 MCULE-9214561330 [0,0,0,0,0,0|1,0,2]=3 14 B6R1.2 BrC1=NC=NS1 MCULE-2591798440 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 BrC1=NN=CN1 MCULE-7469880141 [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 BrC1=NN=CO1 MCULE-9908278798 [0,0,0,0,0,0|2,1,1]=4 17 B6R1.2 BrC1=NN=CS1 MCULE-2949971656 [0,0,0,0,0,0|2,0,1]=3 18 B6R1.2 BrC1=NNN=N1 MCULE-1337477096 [0,0,0,0,0,0|4,0,0]=4 19 B6R1.2 BrC1=NOC=C1 MCULE-1786338778 [0,0,0,0,0,0|3,0,1]=4 20 B6R1.2 BrC1=NSC=C1 MCULE-5948625316 [0,0,0,0,0,0|3,0,1]=4 21 B6R1.2 BrC1=NSC=N1 MCULE-1462040970 [0,0,0,0,0,0|3,0,1]=4 22 B6R1.2 BrC1CCCC1 MCULE-9383923023 [0,0,0,0,0,0|3,0,1]=4 23 B6R1.2 C1(CCOC1)N MCULE-2221007915 [0,0,0,0,0,0|3,0,1]=4 24 B6R1.2 C1(CCOC1)N MCULE-3972931474 [0,0,0,0,0,0|3,0,1]=4 25 B6R1.2 C=C1CCCC1 MCULE-4115373196 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 C=C1CCNC1 MCULE-7982953073 [0,0,0,0,0,0|4,0,0]=4 27 B6R1.2 C=C1CCNC1 MCULE-8428731599 [0,0,0,0,0,0|4,0,0]=4 28 B6R1.2 C=C1CCSC1 MCULE-7042571473 [0,0,0,0,0,0|4,0,0]=4 29 B6R1.2 CC1=CC=CS1 MCULE-7297776024 [0,0,0,0,0,0|2,0,2]=4 30 B6R1.2 CC1=CC=NS1 MCULE-4163670775 [0,0,0,0,0,0|3,0,1]=4 31 B6R1.2 CC1=CCCC1 MCULE-8508688474 [0,0,0,0,0,0|3,0,0]=3 32 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,0,0,0,0,0|2,1,0]=3 33 B6R1.2 CC1=CCNC1 MCULE-5892113847 [0,0,0,0,0,0|4,0,0]=4 34 B6R1.2 CC1=CCNC1 MCULE-9225220351 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 CC1=CN=CS1 MCULE-8510377651 [0,0,0,0,0,0|3,0,1]=4 36 B6R1.2 CC1=CN=NS1 MCULE-3290022680 [0,0,0,0,0,0|4,0,0]=4 37 B6R1.2 CC1=CNC=N1 MCULE-9375719449 [0,0,0,0,0,0|3,0,1]=4 38 B6R1.2 CC1=CNN=N1 MCULE-2819973344 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 CC1=COC=N1 MCULE-3497089982 [0,0,0,0,0,0|3,0,1]=4 40 B6R1.2 CC1=CSC=N1 MCULE-3711308900 [0,0,0,0,0,0|3,0,1]=4 41 B6R1.2 CC1=CSN=N1 MCULE-9634894252 [0,0,0,0,0,0|4,0,0]=4 42 B6R1.2 CC1=NC=CN1 MCULE-4484196639 [0,0,0,0,0,0|2,0,2]=4 43 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [0,0,0,0,0,0|1,1,2]=4 44 B6R1.2 CC1=NC=CS1 MCULE-6863408892 [0,0,0,0,0,0|1,0,2]=3 45 B6R1.2 CC1=NCCC1 MCULE-5009170423 [0,0,0,0,0,0|2,0,0]=2 46 B6R1.2 CC1=NCCN1 MCULE-4787238872 [0,0,0,0,0,0|2,0,0]=2 47 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,0,0,0,0,0|1,1,0]=2 48 B6R1.2 CC1=NCCS1 MCULE-1701303405 [0,0,0,0,0,0|1,0,0]=1 49 B6R1.2 CC1=NN=CN1 MCULE-4297826922 [0,0,0,0,0,0|3,0,1]=4 50 B6R1.2 CC1=NN=CO1 MCULE-5138394000 [0,0,0,0,0,0|2,1,1]=4 51 B6R1.2 CC1=NN=CS1 MCULE-5068390093 [0,0,0,0,0,0|2,0,1]=3 52 B6R1.2 CC1=NN=NN1 MCULE-4684881164 [0,0,0,0,0,0|4,0,0]=4 53 B6R1.2 CC1=NNCC1 MCULE-1758510182 [0,0,0,0,0,0|3,0,0]=3 54 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [0,0,0,0,0,0|3,0,1]=4 55 B6R1.2 CC1=NOC=N1 MCULE-5841548711 [0,0,0,0,0,0|3,0,1]=4 56 B6R1.2 CC1=NON=C1 MCULE-7563934145 [0,0,0,0,0,0|4,0,0]=4 57 B6R1.2 CC1=NSC=C1 MCULE-6941128185 [0,0,0,0,0,0|3,0,1]=4 58 B6R1.2 CC1=NSN=C1 MCULE-8318780980 [0,0,0,0,0,0|4,0,0]=4 59 B6R1.2 CC1CCCC1 MCULE-4702116068 [0,0,0,0,0,0|3,0,1]=4 60 B6R1.2 CC1CCCN1 MCULE-4853624560 [0,0,0,0,0,0|2,0,2]=4 61 B6R1.2 CC1CCCN1 MCULE-5939948024 [0,0,0,0,0,0|2,0,2]=4 62 B6R1.2 CC1CCCN1 MCULE-6020011445 [0,0,0,0,0,0|2,0,2]=4 63 B6R1.2 CC1CCCN1 MCULE-7855346849 [0,0,0,0,0,0|2,0,2]=4 64 B6R1.2 CC1CCCO1 MCULE-2526138687 [0,0,0,0,0,0|2,1,1]=4 65 B6R1.2 CC1CCCS1 MCULE-8372499972 [0,0,0,0,0,0|2,0,1]=3 66 B6R1.2 CC1NCCS1 MCULE-8457840375 [0,0,0,0,0,0|1,0,2]=3 67 B6R1.2 CC1OCCO1 MCULE-2943809591 [0,0,0,0,0,0|2,1,1]=4 68 B6R1.2 CC1SCCS1 MCULE-5011453273 [0,0,0,0,0,0|2,0,1]=3 69 B6R1.2 CN1CCCC1 MCULE-5387702231 [0,0,0,0,0,0|4,0,0]=4 70 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [0,0,0,0,0,0|2,0,2]=4 71 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [0,0,0,0,0,0|2,0,2]=4 72 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [0,0,0,0,0,0|2,0,2]=4 73 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [0,0,0,0,0,0|2,0,2]=4 74 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [0,0,0,0,0,0|2,0,2]=4 75 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [0,0,0,0,0,0|2,0,2]=4 76 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [0,0,0,0,0,0|2,0,2]=4 77 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [0,0,0,0,0,0|2,0,2]=4 78 B6R1.2 C[S+]1CCCC1 MCULE-6294888335 [0,0,0,0,0,0|4,0,0]=4 79 B6R1.2 C[S+]1CCCC1 MCULE-8432227262 [0,0,0,0,0,0|4,0,0]=4 80 B6R1.2 ClC1=CC=CS1 MCULE-2640438050 [0,0,0,0,0,0|2,0,2]=4 81 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [0,0,0,0,0,0|3,0,0]=3 82 B6R1.2 ClC1=CN=CS1 MCULE-6088272612 [0,0,0,0,0,0|3,0,1]=4 83 B6R1.2 ClC1=CN=NS1 MCULE-9306655732 [0,0,0,0,0,0|4,0,0]=4 84 B6R1.2 ClC1=CNC=N1 MCULE-3072422179 [0,0,0,0,0,0|3,0,1]=4 85 B6R1.2 ClC1=CNC=N1 MCULE-8453567278 [0,0,0,0,0,0|3,0,1]=4 86 B6R1.2 ClC1=CSC=N1 MCULE-9647338017 [0,0,0,0,0,0|3,0,1]=4 87 B6R1.2 ClC1=NC=CN1 MCULE-6072122645 [0,0,0,0,0,0|2,0,2]=4 88 B6R1.2 ClC1=NC=CO1 MCULE-1860416745 [0,0,0,0,0,0|1,1,2]=4 89 B6R1.2 ClC1=NC=CO1 MCULE-4765528658 [0,0,0,0,0,0|1,1,2]=4 90 B6R1.2 ClC1=NC=CS1 MCULE-6673458969 [0,0,0,0,0,0|1,0,2]=3 91 B6R1.2 ClC1=NC=NN1 MCULE-2300203419 [0,0,0,0,0,0|3,0,1]=4 92 B6R1.2 ClC1=NC=NS1 MCULE-5735905433 [0,0,0,0,0,0|2,0,1]=3 93 B6R1.2 ClC1=NCCN1 MCULE-2043711677 [0,0,0,0,0,0|2,0,0]=2 94 B6R1.2 ClC1=NCCN1 MCULE-2296476673 [0,0,0,0,0,0|2,0,0]=2 95 B6R1.2 ClC1=NN=CS1 MCULE-4112899413 [0,0,0,0,0,0|2,0,1]=3 96 B6R1.2 ClC1=NNC=C1 MCULE-6678816051 [0,0,0,0,0,0|3,0,1]=4 97 B6R1.2 ClC1=NNC=N1 MCULE-6627676536 [0,0,0,0,0,0|3,0,1]=4 98 B6R1.2 ClC1=NSC=C1 MCULE-5743382341 [0,0,0,0,0,0|3,0,1]=4 99 B6R1.2 ClC1=NSC=N1 MCULE-9114546823 [0,0,0,0,0,0|3,0,1]=4 100 B6R1.2 ClC1=NSN=C1 MCULE-7976412441 [0,0,0,0,0,0|4,0,0]=4 101 B6R1.2 ClC1CCCC1 MCULE-3285928655 [0,0,0,0,0,0|3,0,1]=4 102 B6R1.2 ClP1OCCO1 MCULE-2550894251 [0,0,0,0,0,0|3,1,0]=4 103 B6R1.2 FC1=CC=CS1 MCULE-5362233873 [0,0,0,0,0,0|2,0,2]=4 104 B6R1.2 FC1=NC=CN1 MCULE-1860701993 [0,0,0,0,0,0|2,0,2]=4 105 B6R1.2 FC1=NC=CN1 MCULE-5026249596 [0,0,0,0,0,0|2,0,2]=4 106 B6R1.2 FC1=NC=CS1 MCULE-3710058771 [0,0,0,0,0,0|1,0,2]=3 107 B6R1.2 FC1=NC=NN1 MCULE-7446864956 [0,0,0,0,0,0|3,0,1]=4 108 B6R1.2 FC1=NNC=C1 MCULE-3532126949 [0,0,0,0,0,0|3,0,1]=4 109 B6R1.2 FC1CCCC1 MCULE-1416016970 [0,0,0,0,0,0|3,0,1]=4 110 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [0,0,0,0,0,0|2,0,2]=4 111 B6R1.2 IC1=CC=CS1 MCULE-6025659368 [0,0,0,0,0,0|2,0,2]=4 112 B6R1.2 IC1=CC=NS1 MCULE-7758361866 [0,0,0,0,0,0|3,0,1]=4 113 B6R1.2 IC1=CCCC1 MCULE-5953451970 [0,0,0,0,0,0|3,0,0]=3 114 B6R1.2 IC1=CN=CS1 MCULE-1577269526 [0,0,0,0,0,0|3,0,1]=4 115 B6R1.2 IC1=CNC=N1 MCULE-9964164089 [0,0,0,0,0,0|3,0,1]=4 116 B6R1.2 IC1=COC=N1 MCULE-1363022741 [0,0,0,0,0,0|3,0,1]=4 117 B6R1.2 IC1=COC=N1 MCULE-8108166687 [0,0,0,0,0,0|3,0,1]=4 118 B6R1.2 IC1=COCC1 MCULE-3076361502 [0,0,0,0,0,0|4,0,0]=4 119 B6R1.2 IC1=NC=CN1 MCULE-1690537323 [0,0,0,0,0,0|2,0,2]=4 120 B6R1.2 IC1=NC=CO1 MCULE-2254947090 [0,0,0,0,0,0|1,1,2]=4 121 B6R1.2 IC1=NC=CS1 MCULE-9500451238 [0,0,0,0,0,0|1,0,2]=3 122 B6R1.2 IC1=NN=CS1 MCULE-6837444982 [0,0,0,0,0,0|2,0,1]=3 123 B6R1.2 IC1=NN=NN1 MCULE-5067251857 [0,0,0,0,0,0|4,0,0]=4 124 B6R1.2 IC1=NNC=C1 MCULE-9771094813 [0,0,0,0,0,0|3,0,1]=4 125 B6R1.2 IC1=NNC=N1 MCULE-9276844432 [0,0,0,0,0,0|3,0,1]=4 126 B6R1.2 IC1CCCC1 MCULE-2705379744 [0,0,0,0,0,0|3,0,1]=4 127 B6R1.2 N=C1CCCS1 MCULE-4228855265 [0,0,0,0,0,0|1,0,1]=2 128 B6R1.2 N=C1CCCS1 MCULE-7496124035 [0,0,0,0,0,0|1,0,1]=2 129 B6R1.2 N=C1NCCN1 MCULE-4983030911 [0,0,0,0,0,0|1,0,2]=3 130 B6R1.2 NC1=CC=CN1 MCULE-5653620818 [0,0,0,0,0,0|1,0,3]=4 131 B6R1.2 NC1=CC=CN1 MCULE-9753432085 [0,0,0,0,0,0|1,0,3]=4 132 B6R1.2 NC1=CC=CO1 MCULE-2421139965 [0,0,0,0,0,0|1,1,2]=4 133 B6R1.2 NC1=CC=CS1 MCULE-1649510352 [0,0,0,0,0,0|1,0,2]=3 134 B6R1.2 NC1=CC=CS1 MCULE-9501271303 [0,0,0,0,0,0|1,0,2]=3 135 B6R1.2 NC1=CC=NO1 MCULE-3638275568 [0,0,0,0,0,0|2,1,1]=4 136 B6R1.2 NC1=CC=NS1 MCULE-2159626770 [0,0,0,0,0,0|2,0,1]=3 137 B6R1.2 NC1=CC=NS1 MCULE-8733584582 [0,0,0,0,0,0|2,0,1]=3 138 B6R1.2 NC1=CCNN1 MCULE-1539779543 [0,0,0,0,0,0|2,0,1]=3 139 B6R1.2 NC1=CCNN1 MCULE-3460056890 [0,0,0,0,0,0|2,0,1]=3 140 B6R1.2 NC1=CCNN1 MCULE-5423983278 [0,0,0,0,0,0|2,0,1]=3 141 B6R1.2 NC1=CN=CN1 MCULE-3029255616 [0,0,0,0,0,0|2,0,2]=4 142 B6R1.2 NC1=CN=CN1 MCULE-8873453977 [0,0,0,0,0,0|2,0,2]=4 143 B6R1.2 NC1=CN=CN1 MCULE-9206811415 [0,0,0,0,0,0|2,0,2]=4 144 B6R1.2 NC1=CN=CO1 MCULE-4492961257 [0,0,0,0,0,0|2,1,1]=4 145 B6R1.2 NC1=CN=CS1 MCULE-1239962681 [0,0,0,0,0,0|2,0,1]=3 146 B6R1.2 NC1=CN=CS1 MCULE-3685342495 [0,0,0,0,0,0|2,0,1]=3 147 B6R1.2 NC1=CN=CS1 MCULE-7122700564 [0,0,0,0,0,0|2,0,1]=3 148 B6R1.2 NC1=CN=NS1 MCULE-6268554333 [0,0,0,0,0,0|3,0,0]=3 149 B6R1.2 NC1=CNC=C1 MCULE-1411730985 [0,0,0,0,0,0|3,0,1]=4 150 B6R1.2 NC1=CNC=C1 MCULE-7701316156 [0,0,0,0,0,0|3,0,1]=4 151 B6R1.2 NC1=CNN=C1 MCULE-4119655375 [0,0,0,0,0,0|4,0,0]=4 152 B6R1.2 NC1=CNN=C1 MCULE-5097217370 [0,0,0,0,0,0|4,0,0]=4 153 B6R1.2 NC1=CNN=C1 MCULE-6287007700 [0,0,0,0,0,0|4,0,0]=4 154 B6R1.2 NC1=CNN=N1 MCULE-7644677669 [0,0,0,0,0,0|3,0,0]=3 155 B6R1.2 NC1=COC=C1 MCULE-1858324031 [0,0,0,0,0,0|3,0,1]=4 156 B6R1.2 NC1=COC=C1 MCULE-3985426542 [0,0,0,0,0,0|3,0,1]=4 157 B6R1.2 NC1=COC=N1 MCULE-2511021171 [0,0,0,0,0,0|2,0,1]=3 158 B6R1.2 NC1=COC=N1 MCULE-3099880728 [0,0,0,0,0,0|2,0,1]=3 159 B6R1.2 NC1=CON=C1 MCULE-2373604754 [0,0,0,0,0,0|4,0,0]=4 160 B6R1.2 NC1=CON=C1 MCULE-7932471087 [0,0,0,0,0,0|4,0,0]=4 161 B6R1.2 NC1=CSC=C1 MCULE-1673174137 [0,0,0,0,0,0|3,0,1]=4 162 B6R1.2 NC1=CSC=C1 MCULE-5461897385 [0,0,0,0,0,0|3,0,1]=4 163 B6R1.2 NC1=CSC=C1 MCULE-6200615331 [0,0,0,0,0,0|3,0,1]=4 164 B6R1.2 NC1=CSC=C1 MCULE-9439581665 [0,0,0,0,0,0|3,0,1]=4 165 B6R1.2 NC1=CSC=N1 MCULE-3316985941 [0,0,0,0,0,0|2,0,1]=3 166 B6R1.2 NC1=CSC=N1 MCULE-4767298680 [0,0,0,0,0,0|2,0,1]=3 167 B6R1.2 NC1=CSN=C1 MCULE-8555779572 [0,0,0,0,0,0|4,0,0]=4 168 B6R1.2 NC1=CSN=C1 MCULE-9110365089 [0,0,0,0,0,0|4,0,0]=4 169 B6R1.2 NC1=CSN=C1 MCULE-9229676240 [0,0,0,0,0,0|4,0,0]=4 170 B6R1.2 NC1=CSN=N1 MCULE-1480804799 [0,0,0,0,0,0|3,0,0]=3 171 B6R1.2 NC1=CSN=N1 MCULE-7870927492 [0,0,0,0,0,0|3,0,0]=3 172 B6R1.2 NC1=NC=CN1 MCULE-4937045321 [0,0,0,0,0,0|1,0,2]=3 173 B6R1.2 NC1=NC=CN1 MCULE-6371804569 [0,0,0,0,0,0|1,0,2]=3 174 B6R1.2 NC1=NC=CN1 MCULE-7485953374 [0,0,0,0,0,0|1,0,2]=3 175 B6R1.2 NC1=NC=CN1 MCULE-9607974759 [0,0,0,0,0,0|1,0,2]=3 176 B6R1.2 NC1=NC=CO1 MCULE-7316590930 [0,0,0,0,0,0|0,1,2]=3 177 B6R1.2 NC1=NC=CS1 MCULE-1506905792 [0,0,0,0,0,0|0,0,2]=2 178 B6R1.2 NC1=NC=CS1 MCULE-8550608343 [0,0,0,0,0,0|0,0,2]=2 179 B6R1.2 NC1=NC=NN1 MCULE-6203622976 [0,0,0,0,0,0|2,0,1]=3 180 B6R1.2 NC1=NC=NS1 MCULE-3141910287 [0,0,0,0,0,0|1,0,1]=2 181 B6R1.2 NC1=NC=NS1 MCULE-3929641571 [0,0,0,0,0,0|1,0,1]=2 182 B6R1.2 NC1=NC=NS1 MCULE-8660230269 [0,0,0,0,0,0|1,0,1]=2 183 B6R1.2 NC1=NCCC1 MCULE-6089369366 [0,0,0,0,0,0|1,0,0]=1 184 B6R1.2 NC1=NCCC1 MCULE-8979618464 [0,0,0,0,0,0|1,0,0]=1 185 B6R1.2 NC1=NCCN1 MCULE-1788173657 [0,0,0,0,0,0|1,0,0]=1 186 B6R1.2 NC1=NCCN1 MCULE-9804694628 [0,0,0,0,0,0|1,0,0]=1 187 B6R1.2 NC1=NCCO1 MCULE-1257431295 [0,0,0,0,0,0|0,1,0]=1 188 B6R1.2 NC1=NCCO1 MCULE-9912511107 [0,0,0,0,0,0|0,1,0]=1 189 B6R1.2 NC1=NCCS1 MCULE-3397143190 [0,0,0,0,0,0|0,0,0]=0 190 B6R1.2 NC1=NCCS1 MCULE-9466856269 [0,0,0,0,0,0|0,0,0]=0 191 B6R1.2 NC1=NCCS1 MCULE-9984008966 [0,0,0,0,0,0|0,0,0]=0 192 B6R1.2 NC1=NN=CO1 MCULE-9653146681 [0,0,0,0,0,0|1,1,1]=3 193 B6R1.2 NC1=NN=CS1 MCULE-5171141908 [0,0,0,0,0,0|1,0,1]=2 194 B6R1.2 NC1=NN=NN1 MCULE-4162497867 [0,0,0,0,0,0|3,0,0]=3 195 B6R1.2 NC1=NN=NS1 MCULE-2301798521 [0,0,0,0,0,0|2,0,0]=2 196 B6R1.2 NC1=NNC=C1 MCULE-1507683823 [0,0,0,0,0,0|2,0,1]=3 197 B6R1.2 NC1=NNC=C1 MCULE-5117516307 [0,0,0,0,0,0|2,0,1]=3 198 B6R1.2 NC1=NNC=C1 MCULE-7091290697 [0,0,0,0,0,0|2,0,1]=3 199 B6R1.2 NC1=NNCC1 MCULE-4665265929 [0,0,0,0,0,0|2,0,0]=2 200 B6R1.2 NC1=NNN=C1 MCULE-4268197612 [0,0,0,0,0,0|3,0,0]=3 201 B6R1.2 NC1=NOC=C1 MCULE-5363092492 [0,0,0,0,0,0|2,0,1]=3 202 B6R1.2 NC1=NOC=N1 MCULE-1140308393 [0,0,0,0,0,0|2,0,1]=3 203 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,0,0,0,0,0|2,0,0]=2 204 B6R1.2 NC1=NON=C1 MCULE-1928445544 [0,0,0,0,0,0|3,0,0]=3 205 B6R1.2 NC1=NSC=C1 MCULE-2731864153 [0,0,0,0,0,0|2,0,1]=3 206 B6R1.2 NC1=NSC=C1 MCULE-4778941442 [0,0,0,0,0,0|2,0,1]=3 207 B6R1.2 NC1=NSC=N1 MCULE-1210037167 [0,0,0,0,0,0|2,0,1]=3 208 B6R1.2 NC1=NSN=C1 MCULE-5043071924 [0,0,0,0,0,0|3,0,0]=3 209 B6R1.2 NC1=NSN=C1 MCULE-5186512230 [0,0,0,0,0,0|3,0,0]=3 210 B6R1.2 NC1C=CCC1 MCULE-2537724380 [0,0,0,0,0,0|2,0,2]=4 211 B6R1.2 NC1C=CCC1 MCULE-5017993489 [0,0,0,0,0,0|2,0,2]=4 212 B6R1.2 NC1C=CN=N1 MCULE-8618625416 [0,0,0,0,0,0|2,0,2]=4 213 B6R1.2 NC1CCCC1 MCULE-2292038009 [0,0,0,0,0,0|2,0,1]=3 214 B6R1.2 NC1CCNC1 MCULE-2237528072 [0,0,0,0,0,0|3,0,1]=4 215 B6R1.2 NC1CCNC1 MCULE-5167920547 [0,0,0,0,0,0|3,0,1]=4 216 B6R1.2 NC1CCNC1 MCULE-5837785719 [0,0,0,0,0,0|3,0,1]=4 217 B6R1.2 NC1CCOC1 MCULE-1276945018 [0,0,0,0,0,0|3,0,1]=4 218 B6R1.2 NC1CCOC1 MCULE-8146259495 [0,0,0,0,0,0|3,0,1]=4 219 B6R1.2 NC1CCSC1 MCULE-8972229387 [0,0,0,0,0,0|3,0,1]=4 220 B6R1.2 NC1CCSC1 MCULE-9186640582 [0,0,0,0,0,0|3,0,1]=4 221 B6R1.2 NN1C=CC=N1 MCULE-1897324593 [0,0,0,0,0,0|2,0,2]=4 222 B6R1.2 NN1C=CN=N1 MCULE-2003837529 [0,0,0,0,0,0|3,0,1]=4 223 B6R1.2 NN1C=CN=N1 MCULE-2708002414 [0,0,0,0,0,0|3,0,1]=4 224 B6R1.2 NN1C=NC=N1 MCULE-2428153714 [0,0,0,0,0,0|3,0,1]=4 225 B6R1.2 NN1CCCC1 MCULE-1562593919 [0,0,0,0,0,0|3,0,0]=3 226 B6R1.2 NN1CCCC1 MCULE-2311855036 [0,0,0,0,0,0|3,0,0]=3 227 B6R1.2 NN1CCCC1 MCULE-5484008222 [0,0,0,0,0,0|3,0,0]=3 228 B6R1.2 N[C@@H]1CCNC1 MCULE-6043697974 [0,0,0,0,0,0|3,0,1]=4 229 B6R1.2 N[C@@H]1CCNC1 MCULE-8912264932 [0,0,0,0,0,0|3,0,1]=4 230 B6R1.2 N[C@@H]1CCNC1 MCULE-9183647019 [0,0,0,0,0,0|3,0,1]=4 231 B6R1.2 N[C@@H]1CCNC1 MCULE-9608760183 [0,0,0,0,0,0|3,0,1]=4 232 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [0,0,0,0,0,0|3,0,1]=4 233 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [0,0,0,0,0,0|3,0,1]=4 234 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [0,0,0,0,0,0|3,0,1]=4 235 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [0,0,0,0,0,0|3,0,1]=4 236 B6R1.2 N[C@H]1CCNC1 MCULE-3573455998 [0,0,0,0,0,0|3,0,1]=4 237 B6R1.2 N[C@H]1CCNC1 MCULE-3988158945 [0,0,0,0,0,0|3,0,1]=4 238 B6R1.2 N[C@H]1CCNC1 MCULE-4526890579 [0,0,0,0,0,0|3,0,1]=4 239 B6R1.2 N[C@H]1CCNC1 MCULE-8548728927 [0,0,0,0,0,0|3,0,1]=4 240 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [0,0,0,0,0,0|3,0,1]=4 241 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [0,0,0,0,0,0|3,0,1]=4 242 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [0,0,0,0,0,0|3,0,1]=4 243 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [0,0,0,0,0,0|3,0,1]=4 244 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [0,0,0,0,0,0|3,0,1]=4 245 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [0,0,0,0,0,0|2,0,2]=4 246 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [0,0,0,0,0,0|2,1,1]=4 247 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [0,0,0,0,0,0|2,0,1]=3 248 B6R1.2 O=C1CCCC1 MCULE-9455227735 [0,0,0,0,0,0|3,0,0]=3 249 B6R1.2 O=C1CCCN1 MCULE-3061780794 [0,0,0,0,0,0|2,0,1]=3 250 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,0,0,0,0,0|2,1,0]=3 251 B6R1.2 O=C1CCCS1 MCULE-5361654550 [0,0,0,0,0,0|2,0,0]=2 252 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,0,0,0,0,0|4,0,0]=4 253 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,0,0,0,0,0|4,0,0]=4 254 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,0,0,0,0,0|3,0,1]=4 255 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,0,0,0,0,0|4,0,0]=4 256 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,0,0,0,0,0|3,0,1]=4 257 B6R1.2 O=C1CCSC1 MCULE-2059655624 [0,0,0,0,0,0|4,0,0]=4 258 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [0,0,0,0,0,0|3,0,1]=4 259 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,0,0,0,0,0|3,0,1]=4 260 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,0,0,0,0,0|3,0,1]=4 261 B6R1.2 O=C1CSCN1 MCULE-3946660854 [0,0,0,0,0,0|3,0,1]=4 262 B6R1.2 O=C1N=CN=N1 MCULE-3721166402 [0,0,0,0,0,0|3,0,1]=4 263 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [0,0,0,0,0,0|1,0,3]=4 264 B6R1.2 O=C1NCCN1 MCULE-9806791551 [0,0,0,0,0,0|2,0,1]=3 265 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,0,0,0,0,0|1,1,1]=3 266 B6R1.2 O=C1NCCS1 MCULE-6732478086 [0,0,0,0,0,0|1,0,1]=2 267 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,0,0,0,0,0|2,1,0]=3 268 B6R1.2 O=S1CCCC1 MCULE-2442126780 [0,0,0,0,0,0|4,0,0]=4 269 B6R1.2 O=S1OCCO1 MCULE-5773173321 [0,0,0,0,0,0|3,1,0]=4 270 B6R1.2 OC1=CC=CS1 MCULE-8044830478 [0,0,0,0,0,0|2,0,2]=4 271 B6R1.2 OC1=CN=CS1 MCULE-4004908551 [0,0,0,0,0,0|3,0,1]=4 272 B6R1.2 OC1=CNC=N1 MCULE-1911765165 [0,0,0,0,0,0|3,0,1]=4 273 B6R1.2 OC1=NN=CO1 MCULE-5444445027 [0,0,0,0,0,0|2,1,1]=4 274 B6R1.2 OC1=NN=CS1 MCULE-9934931556 [0,0,0,0,0,0|2,0,1]=3 275 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [0,0,0,0,0,0|3,0,1]=4 276 B6R1.2 OC1=NSN=C1 MCULE-1499049623 [0,0,0,0,0,0|4,0,0]=4 277 B6R1.2 OC1CCCC1 MCULE-1758440264 [0,0,0,0,0,0|3,0,1]=4 278 B6R1.2 OC1CCCN1 MCULE-4787168972 [0,0,0,0,0,0|2,0,2]=4 279 B6R1.2 OC1CCCO1 MCULE-9632627344 [0,0,0,0,0,0|2,1,1]=4 280 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [0,0,0,0,0,0|3,1,0]=4 281 B6R1.2 S=C1C=N[N-]S1 MCULE-2531779377 [0,0,0,0,0,0|4,0,0]=4 282 B6R1.2 S=C1C=N[N-]S1 MCULE-6631890633 [0,0,0,0,0,0|4,0,0]=4 283 B6R1.2 S=C1CCCN1 MCULE-1089290822 [0,0,0,0,0,0|2,0,1]=3 284 B6R1.2 S=C1NCCN1 MCULE-3300710815 [0,0,0,0,0,0|2,0,1]=3 285 B6R1.2 S=C1SC=CS1 MCULE-7239273248 [0,0,0,0,0,0|2,0,2]=4 286 B6R1.2 S=C1SCCS1 MCULE-3003900032 [0,0,0,0,0,0|2,0,0]=2 287 B6R1.2 SC1=CC=CS1 MCULE-8882266878 [0,0,0,0,0,0|2,0,2]=4 288 B6R1.2 SC1=CN=NS1 MCULE-1429230459 [0,0,0,0,0,0|4,0,0]=4 289 B6R1.2 SC1=NC=CN1 MCULE-1550904171 [0,0,0,0,0,0|2,0,2]=4 290 B6R1.2 SC1=NC=CS1 MCULE-4142949987 [0,0,0,0,0,0|1,0,2]=3 291 B6R1.2 SC1=NCCO1 MCULE-6684545723 [0,0,0,0,0,0|1,1,0]=2 292 B6R1.2 SC1=NCCS1 MCULE-6840772268 [0,0,0,0,0,0|1,0,0]=1 293 B6R1.2 SC1=NN=CN1 MCULE-5875245990 [0,0,0,0,0,0|3,0,1]=4 294 B6R1.2 SC1=NN=CO1 MCULE-5180923337 [0,0,0,0,0,0|2,1,1]=4 295 B6R1.2 SC1=NN=CS1 MCULE-7722306009 [0,0,0,0,0,0|2,0,1]=3 296 B6R1.2 SC1CCCC1 MCULE-5932400506 [0,0,0,0,0,0|3,0,1]=4 297 B6R1.2 [Na]C1=NNC=N1 MCULE-3608100113 [0,0,0,0,0,0|3,0,1]=4 298 B6R1.2 [S-]C1=CN=NS1 MCULE-2157640340 [0,0,0,0,0,0|4,0,0]=4 299 B5R1.1 B1CCOO1 MCULE-4859234466 [1,0,0,0,0,0|2,1,0]=4 300 B5R1.1 C1=CCC=C1 MCULE-1776679581 [1,0,0,0,0,0|2,0,1]=4 301 B5R1.1 C1=CCCC1 MCULE-8785635218 [1,0,0,0,0,0|2,0,0]=3 302 B5R1.1 C1=CCNC1 MCULE-4645888757 [1,0,0,0,0,0|3,0,0]=4 303 B5R1.1 C1=CCNC1 MCULE-7386427096 [1,0,0,0,0,0|3,0,0]=4 304 B5R1.1 C1=CCOC1 MCULE-1252378718 [1,0,0,0,0,0|3,0,0]=4 305 B5R1.1 C1=CCSC1 MCULE-7848219599 [1,0,0,0,0,0|1,0,2]=4 306 B5R1.1 C1=CNC=N1 MCULE-1256901064 [1,0,0,0,0,0|1,0,2]=4 307 B5R1.1 C1=CNC=N1 MCULE-1410806694 [1,0,0,0,0,0|1,0,2]=4 308 B5R1.1 C1=CNC=N1 MCULE-5649243123 [1,0,0,0,0,0|1,0,2]=4 309 B5R1.1 C1=CNC=N1 MCULE-6335507586 [1,0,0,0,0,0|1,0,2]=4 310 B5R1.1 C1=CNN=C1 MCULE-9342475145 [1,0,0,0,0,0|2,0,1]=4 311 B5R1.1 C1=CNN=N1 MCULE-9027372824 [1,0,0,0,0,0|3,0,0]=4 312 B5R1.1 C1=COC=N1 MCULE-4239266587 [1,0,0,0,0,0|0,1,2]=4 313 B5R1.1 C1=COCC1 MCULE-7714726225 [1,0,0,0,0,0|1,1,0]=3 314 B5R1.1 C1=CON=C1 MCULE-4177650025 [1,0,0,0,0,0|2,0,1]=4 315 B5R1.1 C1=CSC=C1 MCULE-5759025979 [1,0,0,0,0,0|1,0,2]=4 316 B5R1.1 C1=CSC=N1 MCULE-2839580990 [1,0,0,0,0,0|0,0,2]=3 317 B5R1.1 C1=CSN=C1 MCULE-7711497319 [1,0,0,0,0,0|2,0,1]=4 318 B5R1.1 C1=C[N-]C=N1 MCULE-2590868668 [1,0,0,0,0,0|1,0,2]=4 319 B5R1.1 C1=C[N-]C=N1 MCULE-7665637014 [1,0,0,0,0,0|1,0,2]=4 320 B5R1.1 C1=NC=NN1 MCULE-3522189420 [1,0,0,0,0,0|2,0,1]=4 321 B5R1.1 C1=NC=N[N-]1 MCULE-4858966495 [1,0,0,0,0,0|2,0,1]=4 322 B5R1.1 C1=NC=N[N-]1 MCULE-9511234084 [1,0,0,0,0,0|2,0,1]=4 323 B5R1.1 C1=NCCN1 MCULE-6281004177 [1,0,0,0,0,0|1,0,0]=2 324 B5R1.1 C1=NN=CO1 MCULE-2512252204 [1,0,0,0,0,0|1,1,1]=4 325 B5R1.1 C1=NN=CS1 MCULE-1697345730 [1,0,0,0,0,0|1,0,1]=3 326 B5R1.1 C1=NN=NN1 MCULE-5933021454 [1,0,0,0,0,0|3,0,0]=4 327 B5R1.1 C1=NNCC1 MCULE-2270087414 [1,0,0,0,0,0|2,0,0]=3 328 B5R1.1 C1CCNC1 MCULE-2816679267 [1,0,0,0,0,0|1,0,2]=4 329 B5R1.1 C1CCNC1 MCULE-8439725600 [1,0,0,0,0,0|1,0,2]=4 330 B5R1.1 C1CCNC1 MCULE-8653165010 [1,0,0,0,0,0|1,0,2]=4 331 B5R1.1 C1CCNC1 MCULE-9053007443 [1,0,0,0,0,0|1,0,2]=4 332 B5R1.1 C1CCOC1 MCULE-3873245085 [1,0,0,0,0,0|1,1,1]=4 333 B5R1.1 C1CCSC1 MCULE-4519380555 [1,0,0,0,0,0|1,0,1]=3 334 B5R1.1 C1CNCN1 MCULE-6666768806 [1,0,0,0,0,0|1,0,2]=4 335 B5R1.1 C1CNNC1 MCULE-9192384720 [1,0,0,0,0,0|2,0,1]=4 336 B5R1.1 C1CNNC1 MCULE-9418244562 [1,0,0,0,0,0|2,0,1]=4 337 B5R1.1 C1CNOC1 MCULE-3922840312 [1,0,0,0,0,0|2,0,1]=4 338 B5R1.1 C1CNOC1 MCULE-6084499894 [1,0,0,0,0,0|2,0,1]=4 339 B5R1.1 C1COCN1 MCULE-4693733872 [1,0,0,0,0,0|0,1,2]=4 340 B5R1.1 C1COCO1 MCULE-3967810235 [1,0,0,0,0,0|1,1,1]=4 341 B5R1.1 C1CSCN1 MCULE-1445529876 [1,0,0,0,0,0|0,0,2]=3 342 B5R1.1 C1CSCN1 MCULE-8646299838 [1,0,0,0,0,0|0,0,2]=3 343 B5R1.1 C1CSCS1 MCULE-2954642463 [1,0,0,0,0,0|1,0,1]=3 344 B5R1.1 C1N=NNN1 MCULE-3350294262 [1,0,0,0,0,0|3,0,0]=4 345 B7R1.1 BrCC1=CCCC1 MCULE-9208619526 [0,1,0,0,0,0|3,0,0]=4 346 B7R1.1 BrCC1=NC=CS1 MCULE-2352863122 [0,1,0,0,0,0|1,0,2]=4 347 B7R1.1 BrCC1=NC=CS1 MCULE-5186135822 [0,1,0,0,0,0|1,0,2]=4 348 B7R1.1 C#CC1=NC=CS1 MCULE-2697799667 [0,1,0,0,0,0|1,0,2]=4 349 B7R1.1 C1(CCCN1)CN MCULE-3568349121 [0,1,0,0,0,0|1,0,2]=4 350 B7R1.1 C1(CCCN1)CN MCULE-9944820727 [0,1,0,0,0,0|1,0,2]=4 351 B7R1.1 C=CC1=NC=CS1 MCULE-1085748238 [0,1,0,0,0,0|1,0,2]=4 352 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [0,1,0,0,0,0|3,0,0]=4 353 B7R1.1 CCC1=CCCC1 MCULE-5154730597 [0,1,0,0,0,0|3,0,0]=4 354 B7R1.1 CCC1=NC=CS1 MCULE-6172218863 [0,1,0,0,0,0|1,0,2]=4 355 B7R1.1 CCC1=NCCN1 MCULE-4105881010 [0,1,0,0,0,0|2,0,0]=3 356 B7R1.1 CCC1=NCCO1 MCULE-3838550511 [0,1,0,0,0,0|1,1,0]=3 357 B7R1.1 CNC1=CC=CS1 MCULE-4218853022 [0,1,0,0,0,0|1,0,2]=4 358 B7R1.1 CNC1=NC=CN1 MCULE-2079992096 [0,1,0,0,0,0|1,0,2]=4 359 B7R1.1 CNC1=NC=CN1 MCULE-4803913104 [0,1,0,0,0,0|1,0,2]=4 360 B7R1.1 CNC1=NC=CO1 MCULE-4226358416 [0,1,0,0,0,0|0,1,2]=4 361 B7R1.1 CNC1=NC=CS1 MCULE-8467756988 [0,1,0,0,0,0|0,0,2]=3 362 B7R1.1 CNC1=NC=NN1 MCULE-8935755792 [0,1,0,0,0,0|2,0,1]=4 363 B7R1.1 CNC1=NC=NS1 MCULE-8672668486 [0,1,0,0,0,0|1,0,1]=3 364 B7R1.1 CNC1=NCCN1 MCULE-8411755728 [0,1,0,0,0,0|1,0,0]=2 365 B7R1.1 CNC1=NCCN1 MCULE-9337116685 [0,1,0,0,0,0|1,0,0]=2 366 B7R1.1 CNC1=NN=CO1 MCULE-2942390353 [0,1,0,0,0,0|1,1,1]=4 367 B7R1.1 CNC1=NN=CS1 MCULE-7554595108 [0,1,0,0,0,0|1,0,1]=3 368 B7R1.1 CNC1=NN=NN1 MCULE-6001051372 [0,1,0,0,0,0|3,0,0]=4 369 B7R1.1 CNC1=NN=NN1 MCULE-7321764205 [0,1,0,0,0,0|3,0,0]=4 370 B7R1.1 CNC1=NOC=C1 MCULE-1266569249 [0,1,0,0,0,0|2,0,1]=4 371 B7R1.1 CNC1=NOC=C1 MCULE-2599186829 [0,1,0,0,0,0|2,0,1]=4 372 B7R1.1 CNC1CCCC1 MCULE-1391832163 [0,1,0,0,0,0|2,0,1]=4 373 B7R1.1 CNC1CCCC1 MCULE-8242451793 [0,1,0,0,0,0|2,0,1]=4 374 B7R1.1 COC1=CCCC1 MCULE-6260649761 [0,1,0,0,0,0|3,0,0]=4 375 B7R1.1 COC1=CCCN1 MCULE-6283476666 [0,1,0,0,0,0|2,0,1]=4 376 B7R1.1 COC1=NC=CS1 MCULE-3994738925 [0,1,0,0,0,0|1,0,2]=4 377 B7R1.1 COC1=NCCC1 MCULE-2625712954 [0,1,0,0,0,0|2,0,0]=3 378 B7R1.1 COC1=NCCN1 MCULE-4640802770 [0,1,0,0,0,0|2,0,0]=3 379 B7R1.1 COC1=NN=CS1 MCULE-2124485505 [0,1,0,0,0,0|2,0,1]=4 380 B7R1.1 COC1=NN=CS1 MCULE-3586339298 [0,1,0,0,0,0|2,0,1]=4 381 B7R1.1 CSC1=NC=CS1 MCULE-2725106891 [0,1,0,0,0,0|1,0,2]=4 382 B7R1.1 CSC1=NCCN1 MCULE-2508776031 [0,1,0,0,0,0|2,0,0]=3 383 B7R1.1 CSC1=NCCN1 MCULE-3552473411 [0,1,0,0,0,0|2,0,0]=3 384 B7R1.1 CSC1=NCCN1 MCULE-6313819915 [0,1,0,0,0,0|2,0,0]=3 385 B7R1.1 CSC1=NCCS1 MCULE-1809491558 [0,1,0,0,0,0|1,0,0]=2 386 B7R1.1 CSC1=NCCS1 MCULE-6651129000 [0,1,0,0,0,0|1,0,0]=2 387 B7R1.1 CSC1=NN=NS1 MCULE-3512381028 [0,1,0,0,0,0|3,0,0]=4 388 B7R1.1 ClCC1=NC=CS1 MCULE-1185780356 [0,1,0,0,0,0|1,0,2]=4 389 B7R1.1 ClCC1=NC=CS1 MCULE-4939629994 [0,1,0,0,0,0|1,0,2]=4 390 B7R1.1 ClCC1=NCCN1 MCULE-1496461910 [0,1,0,0,0,0|2,0,0]=3 391 B7R1.1 ClCC1=NCCN1 MCULE-6501608310 [0,1,0,0,0,0|2,0,0]=3 392 B7R1.1 ClCC1=NCCO1 MCULE-8789331570 [0,1,0,0,0,0|1,1,0]=3 393 B7R1.1 ClCC1=NN=CS1 MCULE-6414520674 [0,1,0,0,0,0|2,0,1]=4 394 B7R1.1 ClCC1=NOCC1 MCULE-8714304275 [0,1,0,0,0,0|3,0,0]=4 395 B7R1.1 N#CC1=CCCC1 MCULE-5654080085 [0,1,0,0,0,0|2,0,1]=4 396 B7R1.1 N#CC1=NC=CS1 MCULE-7367467537 [0,1,0,0,0,0|0,0,3]=4 397 B7R1.1 N#CC1=NOCC1 MCULE-6070275701 [0,1,0,0,0,0|2,0,1]=4 398 B7R1.1 N#CC1CCCS1 MCULE-6372148360 [0,1,0,0,0,0|1,0,2]=4 399 B7R1.1 NCC1=CC=CS1 MCULE-5730076896 [0,1,0,0,0,0|1,0,2]=4 400 B7R1.1 NCC1=CC=CS1 MCULE-5815289362 [0,1,0,0,0,0|1,0,2]=4 401 B7R1.1 NCC1=CC=NS1 MCULE-2457899011 [0,1,0,0,0,0|2,0,1]=4 402 B7R1.1 NCC1=CC=NS1 MCULE-8286613579 [0,1,0,0,0,0|2,0,1]=4 403 B7R1.1 NCC1=CC=NS1 MCULE-9144560486 [0,1,0,0,0,0|2,0,1]=4 404 B7R1.1 NCC1=CN=CS1 MCULE-1195188698 [0,1,0,0,0,0|2,0,1]=4 405 B7R1.1 NCC1=CN=CS1 MCULE-3436822675 [0,1,0,0,0,0|2,0,1]=4 406 B7R1.1 NCC1=CN=CS1 MCULE-4212339163 [0,1,0,0,0,0|2,0,1]=4 407 B7R1.1 NCC1=CN=CS1 MCULE-8576407401 [0,1,0,0,0,0|2,0,1]=4 408 B7R1.1 NCC1=CN=NS1 MCULE-3662506171 [0,1,0,0,0,0|3,0,0]=4 409 B7R1.1 NCC1=CNC=N1 MCULE-8577687631 [0,1,0,0,0,0|2,0,1]=4 410 B7R1.1 NCC1=CNN=N1 MCULE-1888725046 [0,1,0,0,0,0|3,0,0]=4 411 B7R1.1 NCC1=COC=N1 MCULE-1965806400 [0,1,0,0,0,0|2,0,1]=4 412 B7R1.1 NCC1=COC=N1 MCULE-4630236945 [0,1,0,0,0,0|2,0,1]=4 413 B7R1.1 NCC1=CSC=N1 MCULE-1908621031 [0,1,0,0,0,0|2,0,1]=4 414 B7R1.1 NCC1=CSC=N1 MCULE-2561780523 [0,1,0,0,0,0|2,0,1]=4 415 B7R1.1 NCC1=CSC=N1 MCULE-7257821091 [0,1,0,0,0,0|2,0,1]=4 416 B7R1.1 NCC1=CSC=N1 MCULE-7553807162 [0,1,0,0,0,0|2,0,1]=4 417 B7R1.1 NCC1=CSN=N1 MCULE-7891736725 [0,1,0,0,0,0|3,0,0]=4 418 B7R1.1 NCC1=CSN=N1 MCULE-9129813251 [0,1,0,0,0,0|3,0,0]=4 419 B7R1.1 NCC1=NC=CN1 MCULE-3018295283 [0,1,0,0,0,0|1,0,2]=4 420 B7R1.1 NCC1=NC=CN1 MCULE-3173272320 [0,1,0,0,0,0|1,0,2]=4 421 B7R1.1 NCC1=NC=CN1 MCULE-7054323206 [0,1,0,0,0,0|1,0,2]=4 422 B7R1.1 NCC1=NC=CO1 MCULE-4637859153 [0,1,0,0,0,0|0,1,2]=4 423 B7R1.1 NCC1=NC=CO1 MCULE-7271712199 [0,1,0,0,0,0|0,1,2]=4 424 B7R1.1 NCC1=NC=CS1 MCULE-2850974677 [0,1,0,0,0,0|0,0,2]=3 425 B7R1.1 NCC1=NC=CS1 MCULE-5132159035 [0,1,0,0,0,0|0,0,2]=3 426 B7R1.1 NCC1=NC=CS1 MCULE-6824522664 [0,1,0,0,0,0|0,0,2]=3 427 B7R1.1 NCC1=NN=CN1 MCULE-3498579605 [0,1,0,0,0,0|2,0,1]=4 428 B7R1.1 NCC1=NN=CN1 MCULE-4221436854 [0,1,0,0,0,0|2,0,1]=4 429 B7R1.1 NCC1=NN=CN1 MCULE-5240729547 [0,1,0,0,0,0|2,0,1]=4 430 B7R1.1 NCC1=NN=CO1 MCULE-3836713435 [0,1,0,0,0,0|1,1,1]=4 431 B7R1.1 NCC1=NN=CO1 MCULE-9685786187 [0,1,0,0,0,0|1,1,1]=4 432 B7R1.1 NCC1=NN=CS1 MCULE-1804522206 [0,1,0,0,0,0|1,0,1]=3 433 B7R1.1 NCC1=NN=CS1 MCULE-3787914996 [0,1,0,0,0,0|1,0,1]=3 434 B7R1.1 NCC1=NN=CS1 MCULE-8525484301 [0,1,0,0,0,0|1,0,1]=3 435 B7R1.1 NCC1=NN=NN1 MCULE-2078289118 [0,1,0,0,0,0|3,0,0]=4 436 B7R1.1 NCC1=NN=NN1 MCULE-8356653980 [0,1,0,0,0,0|3,0,0]=4 437 B7R1.1 NCC1=NNN=C1 MCULE-6144313351 [0,1,0,0,0,0|3,0,0]=4 438 B7R1.1 NCC1=NNN=N1 MCULE-5909101382 [0,1,0,0,0,0|3,0,0]=4 439 B7R1.1 NCC1=NOC=C1 MCULE-4678014837 [0,1,0,0,0,0|2,0,1]=4 440 B7R1.1 NCC1=NOC=C1 MCULE-6900654675 [0,1,0,0,0,0|2,0,1]=4 441 B7R1.1 NCC1=NOC=N1 MCULE-5404840212 [0,1,0,0,0,0|2,0,1]=4 442 B7R1.1 NCC1=NOC=N1 MCULE-8401790363 [0,1,0,0,0,0|2,0,1]=4 443 B7R1.1 NCC1=NON=C1 MCULE-6058584869 [0,1,0,0,0,0|3,0,0]=4 444 B7R1.1 NCC1=NON=C1 MCULE-9910873355 [0,1,0,0,0,0|3,0,0]=4 445 B7R1.1 NCC1=NSC=C1 MCULE-1665275335 [0,1,0,0,0,0|2,0,1]=4 446 B7R1.1 NCC1=NSC=C1 MCULE-4779946656 [0,1,0,0,0,0|2,0,1]=4 447 B7R1.1 NCC1=NSN=C1 MCULE-3400639056 [0,1,0,0,0,0|3,0,0]=4 448 B7R1.1 NCC1=NSN=C1 MCULE-3945427014 [0,1,0,0,0,0|3,0,0]=4 449 B7R1.1 NCC1CCCC1 MCULE-3629796849 [0,1,0,0,0,0|2,0,1]=4 450 B7R1.1 NCC1CCCC1 MCULE-8453900433 [0,1,0,0,0,0|2,0,1]=4 451 B7R1.1 NCC1CCCN1 MCULE-4764684364 [0,1,0,0,0,0|1,0,2]=4 452 B7R1.1 NCC1CCCN1 MCULE-8971980286 [0,1,0,0,0,0|1,0,2]=4 453 B7R1.1 NCC1CCCO1 MCULE-2797516262 [0,1,0,0,0,0|1,1,1]=4 454 B7R1.1 NCC1CCCO1 MCULE-5970677903 [0,1,0,0,0,0|1,1,1]=4 455 B7R1.1 NCC1CCCO1 MCULE-6166235034 [0,1,0,0,0,0|1,1,1]=4 456 B7R1.1 NCC1CCCS1 MCULE-5278325816 [0,1,0,0,0,0|1,0,1]=3 457 B7R1.1 NCC1OCCO1 MCULE-4813269641 [0,1,0,0,0,0|1,1,1]=4 458 B7R1.1 NCC1SCCS1 MCULE-1964630168 [0,1,0,0,0,0|1,0,1]=3 459 B7R1.1 NCC1SCCS1 MCULE-6937478627 [0,1,0,0,0,0|1,0,1]=3 460 B7R1.1 NC[C@@H]1CCCN1 MCULE-4726727563 [0,1,0,0,0,0|1,0,2]=4 461 B7R1.1 NC[C@@H]1CCCN1 MCULE-7513400460 [0,1,0,0,0,0|1,0,2]=4 462 B7R1.1 NC[C@@H]1CCCN1 MCULE-7622329174 [0,1,0,0,0,0|1,0,2]=4 463 B7R1.1 NC[C@@H]1CCCN1 MCULE-8573395464 [0,1,0,0,0,0|1,0,2]=4 464 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [0,1,0,0,0,0|1,1,1]=4 465 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [0,1,0,0,0,0|1,1,1]=4 466 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [0,1,0,0,0,0|1,1,1]=4 467 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [0,1,0,0,0,0|1,1,1]=4 468 B7R1.1 NC[C@H]1CCCN1 MCULE-2813912286 [0,1,0,0,0,0|1,0,2]=4 469 B7R1.1 NC[C@H]1CCCN1 MCULE-5505144820 [0,1,0,0,0,0|1,0,2]=4 470 B7R1.1 NC[C@H]1CCCN1 MCULE-7325312327 [0,1,0,0,0,0|1,0,2]=4 471 B7R1.1 NC[C@H]1CCCN1 MCULE-7708925831 [0,1,0,0,0,0|1,0,2]=4 472 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [0,1,0,0,0,0|1,1,1]=4 473 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [0,1,0,0,0,0|1,1,1]=4 474 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [0,1,0,0,0,0|1,1,1]=4 475 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [0,1,0,0,0,0|1,1,1]=4 476 B7R1.1 NNC1=CC=CS1 MCULE-3379720556 [0,1,0,0,0,0|1,0,2]=4 477 B7R1.1 NNC1=CC=CS1 MCULE-7128663353 [0,1,0,0,0,0|1,0,2]=4 478 B7R1.1 NNC1=NC=CN1 MCULE-1524554099 [0,1,0,0,0,0|1,0,2]=4 479 B7R1.1 NNC1=NC=CN1 MCULE-4336482555 [0,1,0,0,0,0|1,0,2]=4 480 B7R1.1 NNC1=NC=CS1 MCULE-4039106179 [0,1,0,0,0,0|0,0,2]=3 481 B7R1.1 NNC1=NC=CS1 MCULE-7813036897 [0,1,0,0,0,0|0,0,2]=3 482 B7R1.1 NNC1=NCCN1 MCULE-2311438625 [0,1,0,0,0,0|1,0,0]=2 483 B7R1.1 NNC1=NCCN1 MCULE-7559191980 [0,1,0,0,0,0|1,0,0]=2 484 B7R1.1 NNC1=NCCN1 MCULE-9981367264 [0,1,0,0,0,0|1,0,0]=2 485 B7R1.1 NNC1=NCCS1 MCULE-1838294249 [0,1,0,0,0,0|0,0,0]=1 486 B7R1.1 NNC1=NCCS1 MCULE-6956519805 [0,1,0,0,0,0|0,0,0]=1 487 B7R1.1 NNC1=NCCS1 MCULE-9752634474 [0,1,0,0,0,0|0,0,0]=1 488 B7R1.1 NNC1=NN=CN1 MCULE-5458646841 [0,1,0,0,0,0|2,0,1]=4 489 B7R1.1 NNC1=NN=CS1 MCULE-1435106455 [0,1,0,0,0,0|1,0,1]=3 490 B7R1.1 NNC1=NN=NN1 MCULE-3490933343 [0,1,0,0,0,0|3,0,0]=4 491 B7R1.1 NNC1=NN=NN1 MCULE-9070461567 [0,1,0,0,0,0|3,0,0]=4 492 B7R1.1 NNC1CCCC1 MCULE-1363058529 [0,1,0,0,0,0|2,0,1]=4 493 B7R1.1 NNC1CCCC1 MCULE-2803402819 [0,1,0,0,0,0|2,0,1]=4 494 B7R1.1 NNC1CCCC1 MCULE-5556380186 [0,1,0,0,0,0|2,0,1]=4 495 B7R1.1 NOC1=CC=CS1 MCULE-4858455315 [0,1,0,0,0,0|1,0,2]=4 496 B7R1.1 NOC1=CC=CS1 MCULE-9161289584 [0,1,0,0,0,0|1,0,2]=4 497 B7R1.1 NOC1CCCC1 MCULE-1504814106 [0,1,0,0,0,0|2,0,1]=4 498 B7R1.1 NOC1CCCC1 MCULE-1973418119 [0,1,0,0,0,0|2,0,1]=4 499 B7R1.1 O/N=C/1\CCCN1 MCULE-9494233692 [0,1,0,0,0,0|1,0,2]=4 500 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [0,1,0,0,0,0|3,0,0]=4 501 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [0,1,0,0,0,0|2,1,0]=4 502 B7R1.1 O=CC1=NC=CS1 MCULE-4910648704 [0,1,0,0,0,0|1,0,2]=4 503 B7R1.1 O=CC1=NC=CS1 MCULE-9818043026 [0,1,0,0,0,0|1,0,2]=4 504 B7R1.1 OCC1=CCCC1 MCULE-8850570361 [0,1,0,0,0,0|3,0,0]=4 505 B7R1.1 OCC1=NC=CS1 MCULE-1365703098 [0,1,0,0,0,0|1,0,2]=4 506 B7R1.1 OCC1=NC=CS1 MCULE-6771352555 [0,1,0,0,0,0|1,0,2]=4 507 B7R1.1 OCC1=NCCO1 MCULE-9432593363 [0,1,0,0,0,0|1,1,0]=3 508 B7R1.1 OCC1=NN=CS1 MCULE-8521153353 [0,1,0,0,0,0|2,0,1]=4 509 B7R1.1 OCC1CCCS1 MCULE-6106081414 [0,1,0,0,0,0|2,0,1]=4 510 B7R1.1 ON=C1CCCC1 MCULE-9338449832 [0,1,0,0,0,0|2,0,1]=4 511 B7R1.1 ONC1CCCC1 MCULE-1143510043 [0,1,0,0,0,0|2,0,1]=4 512 B7R1.1 ONC1CCCC1 MCULE-7548854169 [0,1,0,0,0,0|2,0,1]=4 513 B7R1.1 SCC1=NC=CS1 MCULE-6508521215 [0,1,0,0,0,0|1,0,2]=4 514 B7R1.2 BrC1=CN=C(S1)Br MCULE-3685439982 [0,1,0,0,0,0|1,0,2]=4 515 B7R1.2 BrC1=CN=C(S1)I MCULE-1101277661 [0,1,0,0,0,0|1,0,2]=4 516 B7R1.2 BrC1=CSC(=N1)Br MCULE-2806643620 [0,1,0,0,0,0|1,0,2]=4 517 B7R1.2 BrC1=CSC(=N1)I MCULE-5214997747 [0,1,0,0,0,0|1,0,2]=4 518 B7R1.2 BrC1=NC=C(S1)I MCULE-9106598491 [0,1,0,0,0,0|1,0,2]=4 519 B7R1.2 BrC1=NN=C(S1)Br MCULE-2766696293 [0,1,0,0,0,0|2,0,1]=4 520 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,1,0,0,0,0|2,0,1]=4 521 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,1,0,0,0,0|2,0,1]=4 522 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,1,0,0,0,0|2,0,1]=4 523 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,1,0,0,0,0|1,1,1]=4 524 B7R1.2 C=C1CNC(=S)S1 MCULE-5840114105 [0,1,0,0,0,0|1,0,2]=4 525 B7R1.2 CC1=CC(=NO1)N MCULE-4538523254 [0,1,0,0,0,0|2,0,1]=4 526 B7R1.2 CC1=CC(=NS1)N MCULE-2006841208 [0,1,0,0,0,0|2,0,1]=4 527 B7R1.2 CC1=CC(=NS1)N MCULE-5644544748 [0,1,0,0,0,0|2,0,1]=4 528 B7R1.2 CC1=CC=C(S1)N MCULE-1672887913 [0,1,0,0,0,0|1,0,2]=4 529 B7R1.2 CC1=CC=C(S1)N MCULE-4947745341 [0,1,0,0,0,0|1,0,2]=4 530 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,1,0,0,0,0|2,0,1]=4 531 B7R1.2 CC1=CN=C(N1)N MCULE-5849111364 [0,1,0,0,0,0|1,0,2]=4 532 B7R1.2 CC1=CN=C(N1)N MCULE-9885122590 [0,1,0,0,0,0|1,0,2]=4 533 B7R1.2 CC1=CN=C(O1)N MCULE-5846833894 [0,1,0,0,0,0|0,1,2]=4 534 B7R1.2 CC1=CN=C(S1)Br MCULE-5024376122 [0,1,0,0,0,0|1,0,2]=4 535 B7R1.2 CC1=CN=C(S1)C MCULE-9725720944 [0,1,0,0,0,0|1,0,2]=4 536 B7R1.2 CC1=CN=C(S1)Cl MCULE-4868939891 [0,1,0,0,0,0|1,0,2]=4 537 B7R1.2 CC1=CN=C(S1)I MCULE-2496302523 [0,1,0,0,0,0|1,0,2]=4 538 B7R1.2 CC1=CN=C(S1)N MCULE-5408259983 [0,1,0,0,0,0|0,0,2]=3 539 B7R1.2 CC1=CN=C(S1)N MCULE-8973432865 [0,1,0,0,0,0|0,0,2]=3 540 B7R1.2 CC1=CN=C(S1)O MCULE-4228024619 [0,1,0,0,0,0|1,0,2]=4 541 B7R1.2 CC1=CNC(=N1)N MCULE-2945170552 [0,1,0,0,0,0|1,0,2]=4 542 B7R1.2 CC1=CSC(=C1)N MCULE-6517545234 [0,1,0,0,0,0|1,0,2]=4 543 B7R1.2 CC1=CSC(=C1)N MCULE-8640058932 [0,1,0,0,0,0|1,0,2]=4 544 B7R1.2 CC1=CSC(=N1)Br MCULE-2425418650 [0,1,0,0,0,0|1,0,2]=4 545 B7R1.2 CC1=CSC(=N1)C MCULE-2033387460 [0,1,0,0,0,0|1,0,2]=4 546 B7R1.2 CC1=CSC(=N1)Cl MCULE-4864147999 [0,1,0,0,0,0|1,0,2]=4 547 B7R1.2 CC1=CSC(=N1)F MCULE-7988737526 [0,1,0,0,0,0|1,0,2]=4 548 B7R1.2 CC1=CSC(=N1)I MCULE-5254623055 [0,1,0,0,0,0|1,0,2]=4 549 B7R1.2 CC1=CSC(=N1)N MCULE-3421653397 [0,1,0,0,0,0|0,0,2]=3 550 B7R1.2 CC1=CSC(=N1)N MCULE-6034667920 [0,1,0,0,0,0|0,0,2]=3 551 B7R1.2 CC1=CSC(=N1)S MCULE-4701705565 [0,1,0,0,0,0|1,0,2]=4 552 B7R1.2 CC1=NC(=CS1)Br MCULE-7210746643 [0,1,0,0,0,0|1,0,2]=4 553 B7R1.2 CC1=NC(=CS1)N MCULE-3086911944 [0,1,0,0,0,0|1,0,2]=4 554 B7R1.2 CC1=NC(=CS1)N MCULE-4543325094 [0,1,0,0,0,0|1,0,2]=4 555 B7R1.2 CC1=NC(=CS1)O MCULE-2657600711 [0,1,0,0,0,0|1,0,2]=4 556 B7R1.2 CC1=NC(=NO1)N MCULE-8189524601 [0,1,0,0,0,0|2,0,1]=4 557 B7R1.2 CC1=NC(=NS1)N MCULE-3543160039 [0,1,0,0,0,0|2,0,1]=4 558 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [0,1,0,0,0,0|2,0,0]=3 559 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [0,1,0,0,0,0|1,1,0]=3 560 B7R1.2 CC1=NC(CS1)C MCULE-8843957654 [0,1,0,0,0,0|1,0,0]=2 561 B7R1.2 CC1=NC=C(S1)Br MCULE-7258487155 [0,1,0,0,0,0|1,0,2]=4 562 B7R1.2 CC1=NC=C(S1)Cl MCULE-5653448054 [0,1,0,0,0,0|1,0,2]=4 563 B7R1.2 CC1=NC=C(S1)I MCULE-1452945094 [0,1,0,0,0,0|1,0,2]=4 564 B7R1.2 CC1=NC=C(S1)N MCULE-2117348978 [0,1,0,0,0,0|1,0,2]=4 565 B7R1.2 CC1=NC=C(S1)N MCULE-3448900159 [0,1,0,0,0,0|1,0,2]=4 566 B7R1.2 CC1=NN=C(C1)N MCULE-4185535753 [0,1,0,0,0,0|2,0,1]=4 567 B7R1.2 CC1=NN=C(N1)N MCULE-5689037308 [0,1,0,0,0,0|2,0,1]=4 568 B7R1.2 CC1=NN=C(O1)N MCULE-4286573489 [0,1,0,0,0,0|1,1,1]=4 569 B7R1.2 CC1=NN=C(S1)Br MCULE-4043353456 [0,1,0,0,0,0|2,0,1]=4 570 B7R1.2 CC1=NN=C(S1)C MCULE-1619155212 [0,1,0,0,0,0|2,0,1]=4 571 B7R1.2 CC1=NN=C(S1)Cl MCULE-1360893454 [0,1,0,0,0,0|2,0,1]=4 572 B7R1.2 CC1=NN=C(S1)I MCULE-9281283251 [0,1,0,0,0,0|2,0,1]=4 573 B7R1.2 CC1=NN=C(S1)N MCULE-5420643525 [0,1,0,0,0,0|1,0,1]=3 574 B7R1.2 CC1=NN=C(S1)O MCULE-6682631031 [0,1,0,0,0,0|2,0,1]=4 575 B7R1.2 CC1=NN=C(S1)S MCULE-2337694708 [0,1,0,0,0,0|2,0,1]=4 576 B7R1.2 CC1=NNC(=N1)N MCULE-9479901379 [0,1,0,0,0,0|2,0,1]=4 577 B7R1.2 CC1=NOC(=N1)N MCULE-7788127715 [0,1,0,0,0,0|1,1,1]=4 578 B7R1.2 CC1=NSC(=C1)N MCULE-1333657417 [0,1,0,0,0,0|2,0,1]=4 579 B7R1.2 CC1=NSC(=C1)N MCULE-4917388600 [0,1,0,0,0,0|2,0,1]=4 580 B7R1.2 CC1=NSC(=C1)N MCULE-8270730297 [0,1,0,0,0,0|2,0,1]=4 581 B7R1.2 CC1=NSC(=N1)Br MCULE-2107286103 [0,1,0,0,0,0|2,0,1]=4 582 B7R1.2 CC1=NSC(=N1)C MCULE-4847029690 [0,1,0,0,0,0|2,0,1]=4 583 B7R1.2 CC1=NSC(=N1)Cl MCULE-9782684030 [0,1,0,0,0,0|2,0,1]=4 584 B7R1.2 CC1=NSC(=N1)F MCULE-1604415487 [0,1,0,0,0,0|2,0,1]=4 585 B7R1.2 CC1=NSC(=N1)I MCULE-8953961171 [0,1,0,0,0,0|2,0,1]=4 586 B7R1.2 CC1=NSC(=N1)N MCULE-1116233819 [0,1,0,0,0,0|1,0,1]=3 587 B7R1.2 CC1=NSC(=N1)N MCULE-9350984385 [0,1,0,0,0,0|1,0,1]=3 588 B7R1.2 CC1CC(=NO1)N MCULE-8353889650 [0,1,0,0,0,0|2,0,0]=3 589 B7R1.2 CC1CC(CS1)N MCULE-2886562999 [0,1,0,0,0,0|2,0,1]=4 590 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [0,1,0,0,0,0|1,0,0]=2 591 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [0,1,0,0,0,0|1,0,0]=2 592 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,1,0,0,0,0|3,0,0]=4 593 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,1,0,0,0,0|2,0,1]=4 594 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,1,0,0,0,0|2,0,1]=4 595 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,1,0,0,0,0|2,1,0]=4 596 B7R1.2 CC1CCC(C1)N MCULE-3681457592 [0,1,0,0,0,0|2,0,1]=4 597 B7R1.2 CC1CCC(C1)N MCULE-8238390084 [0,1,0,0,0,0|2,0,1]=4 598 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [0,1,0,0,0,0|0,1,0]=2 599 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [0,1,0,0,0,0|0,1,0]=2 600 B7R1.2 CC1CN=C(S1)N MCULE-5641549444 [0,1,0,0,0,0|0,0,0]=1 601 B7R1.2 CC1CN=C(S1)N MCULE-9229369376 [0,1,0,0,0,0|0,0,0]=1 602 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,1,0,0,0,0|2,0,1]=4 603 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,1,0,0,0,0|2,0,1]=4 604 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,1,0,0,0,0|1,1,1]=4 605 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [0,1,0,0,0,0|2,0,1]=4 606 B7R1.2 CC1CNC(=S)S1 MCULE-1131079445 [0,1,0,0,0,0|1,0,1]=3 607 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,1,0,0,0,0|2,1,0]=4 608 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,1,0,0,0,0|1,1,1]=4 609 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,1,0,0,0,0|2,1,0]=4 610 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,1,0,0,0,0|1,1,1]=4 611 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,1,0,0,0,0|2,0,0]=3 612 B7R1.2 CC1CSC(=S)N1 MCULE-9334196132 [0,1,0,0,0,0|1,0,1]=3 613 B7R1.2 CN1C=C(N=N1)N MCULE-1821401692 [0,1,0,0,0,0|3,0,0]=4 614 B7R1.2 CN1C=C(N=N1)N MCULE-6350695471 [0,1,0,0,0,0|3,0,0]=4 615 B7R1.2 CN1C=CC(=N1)N MCULE-3298296740 [0,1,0,0,0,0|2,0,1]=4 616 B7R1.2 CN1C=CC(=N1)N MCULE-8862989081 [0,1,0,0,0,0|2,0,1]=4 617 B7R1.2 CN1C=NC(=C1)N MCULE-6675652850 [0,1,0,0,0,0|2,0,1]=4 618 B7R1.2 CN1C=NC(=C1)N MCULE-6776822943 [0,1,0,0,0,0|2,0,1]=4 619 B7R1.2 CN1C=NC(=C1)N MCULE-7634413330 [0,1,0,0,0,0|2,0,1]=4 620 B7R1.2 CN1C=NC(=N1)N MCULE-1050208144 [0,1,0,0,0,0|2,0,1]=4 621 B7R1.2 CN1C=NC(=N1)N MCULE-1270255380 [0,1,0,0,0,0|2,0,1]=4 622 B7R1.2 CN1C=NC(=N1)N MCULE-3890729099 [0,1,0,0,0,0|2,0,1]=4 623 B7R1.2 CN1N=CC(=N1)N MCULE-3355279946 [0,1,0,0,0,0|3,0,0]=4 624 B7R1.2 CN1N=CC(=N1)N MCULE-5746157035 [0,1,0,0,0,0|3,0,0]=4 625 B7R1.2 CN1N=CC(=N1)N MCULE-9047961784 [0,1,0,0,0,0|3,0,0]=4 626 B7R1.2 CN1N=NC(=N1)N MCULE-7913101199 [0,1,0,0,0,0|3,0,0]=4 627 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,1,0,0,0,0|2,0,1]=4 628 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,1,0,0,0,0|2,0,1]=4 629 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,1,0,0,0,0|2,1,0]=4 630 B7R1.2 C[C@@H]1CC[C@@H](C1)N MCULE-9471729241 [0,1,0,0,0,0|2,0,1]=4 631 B7R1.2 C[C@@H]1CC[C@H](C1)N MCULE-5368765184 [0,1,0,0,0,0|2,0,1]=4 632 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,1,0,0,0,0|2,0,1]=4 633 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,1,0,0,0,0|2,0,1]=4 634 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,1,0,0,0,0|1,1,1]=4 635 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,1,0,0,0,0|1,1,1]=4 636 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,1,0,0,0,0|2,1,0]=4 637 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,1,0,0,0,0|2,1,0]=4 638 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,1,0,0,0,0|1,1,1]=4 639 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,1,0,0,0,0|1,1,1]=4 640 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,1,0,0,0,0|2,1,0]=4 641 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,1,0,0,0,0|2,1,0]=4 642 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,1,0,0,0,0|3,0,0]=4 643 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,1,0,0,0,0|2,0,1]=4 644 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,1,0,0,0,0|2,0,1]=4 645 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,1,0,0,0,0|2,1,0]=4 646 B7R1.2 C[C@H]1CC[C@@H](C1)N MCULE-1080493056 [0,1,0,0,0,0|2,0,1]=4 647 B7R1.2 C[C@H]1CC[C@H](C1)N MCULE-7070775136 [0,1,0,0,0,0|2,0,1]=4 648 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,1,0,0,0,0|2,0,1]=4 649 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,1,0,0,0,0|2,0,1]=4 650 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,1,0,0,0,0|2,1,0]=4 651 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,1,0,0,0,0|1,1,1]=4 652 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,1,0,0,0,0|1,1,1]=4 653 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,1,0,0,0,0|2,1,0]=4 654 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,1,0,0,0,0|2,1,0]=4 655 B7R1.2 C[C@H]1CSC(=S)N1 MCULE-6690407523 [0,1,0,0,0,0|1,0,1]=3 656 B7R1.2 ClC1=CN=C(S1)Br MCULE-6580422685 [0,1,0,0,0,0|1,0,2]=4 657 B7R1.2 ClC1=CN=C(S1)Cl MCULE-1683742499 [0,1,0,0,0,0|1,0,2]=4 658 B7R1.2 ClC1=CSC(=N1)Br MCULE-7830723813 [0,1,0,0,0,0|1,0,2]=4 659 B7R1.2 ClC1=CSC(=N1)Cl MCULE-3625040467 [0,1,0,0,0,0|1,0,2]=4 660 B7R1.2 ClC1=NC(=CS1)Br MCULE-5907077816 [0,1,0,0,0,0|1,0,2]=4 661 B7R1.2 ClC1=NC(=NS1)Br MCULE-6231130579 [0,1,0,0,0,0|2,0,1]=4 662 B7R1.2 ClC1=NC=C(S1)Br MCULE-9234762881 [0,1,0,0,0,0|1,0,2]=4 663 B7R1.2 ClC1=NN=C(S1)Cl MCULE-9328811589 [0,1,0,0,0,0|2,0,1]=4 664 B7R1.2 ClC1=NSC(=N1)Cl MCULE-4206872707 [0,1,0,0,0,0|2,0,1]=4 665 B7R1.2 FC1=CN=C(S1)Br MCULE-2287816514 [0,1,0,0,0,0|1,0,2]=4 666 B7R1.2 FC1=NC(=CS1)Br MCULE-3289256609 [0,1,0,0,0,0|1,0,2]=4 667 B7R1.2 N=C1CSC(=N1)N MCULE-1758228599 [0,1,0,0,0,0|0,0,1]=2 668 B7R1.2 N=C1CSC(=N1)N MCULE-8821439430 [0,1,0,0,0,0|0,0,1]=2 669 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [0,1,0,0,0,0|1,0,2]=4 670 B7R1.2 N=C1N=C(SS1)S MCULE-2475533161 [0,1,0,0,0,0|1,0,2]=4 671 B7R1.2 NC1=CC(=CS1)Br MCULE-5266427375 [0,1,0,0,0,0|1,0,2]=4 672 B7R1.2 NC1=CC(=CS1)Br MCULE-7059699215 [0,1,0,0,0,0|1,0,2]=4 673 B7R1.2 NC1=CC(=CS1)Br MCULE-9539188304 [0,1,0,0,0,0|1,0,2]=4 674 B7R1.2 NC1=CC(=CS1)Cl MCULE-1368435157 [0,1,0,0,0,0|1,0,2]=4 675 B7R1.2 NC1=CC(=CS1)Cl MCULE-7305346902 [0,1,0,0,0,0|1,0,2]=4 676 B7R1.2 NC1=CC(=NN1)N MCULE-3789616992 [0,1,0,0,0,0|2,0,1]=4 677 B7R1.2 NC1=CC(=NN1)N MCULE-9475481176 [0,1,0,0,0,0|2,0,1]=4 678 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,1,0,0,0,0|2,0,1]=4 679 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,1,0,0,0,0|1,0,1]=3 680 B7R1.2 NC1=CC(=[S+]S1)N MCULE-5770117415 [0,1,0,0,0,0|2,0,1]=4 681 B7R1.2 NC1=CC(=[S+]S1)N MCULE-7131970456 [0,1,0,0,0,0|2,0,1]=4 682 B7R1.2 NC1=CC=C(S1)Br MCULE-3753190045 [0,1,0,0,0,0|1,0,2]=4 683 B7R1.2 NC1=CC=C(S1)Br MCULE-8405320841 [0,1,0,0,0,0|1,0,2]=4 684 B7R1.2 NC1=CC=C(S1)Cl MCULE-2899601281 [0,1,0,0,0,0|1,0,2]=4 685 B7R1.2 NC1=CC=C(S1)Cl MCULE-4678133758 [0,1,0,0,0,0|1,0,2]=4 686 B7R1.2 NC1=CC=C(S1)S MCULE-8625998911 [0,1,0,0,0,0|1,0,2]=4 687 B7R1.2 NC1=CN=C(S1)Br MCULE-3724906209 [0,1,0,0,0,0|1,0,2]=4 688 B7R1.2 NC1=CN=C(S1)Br MCULE-5806390579 [0,1,0,0,0,0|1,0,2]=4 689 B7R1.2 NC1=CN=C(S1)Br MCULE-7736739619 [0,1,0,0,0,0|1,0,2]=4 690 B7R1.2 NC1=CN=C(S1)F MCULE-7666555873 [0,1,0,0,0,0|1,0,2]=4 691 B7R1.2 NC1=CSC(=N1)Br MCULE-1318301399 [0,1,0,0,0,0|1,0,2]=4 692 B7R1.2 NC1=CSC(=N1)Br MCULE-6493134567 [0,1,0,0,0,0|1,0,2]=4 693 B7R1.2 NC1=CSC(=N1)N MCULE-4736308679 [0,1,0,0,0,0|0,0,2]=3 694 B7R1.2 NC1=CSC(=N1)N MCULE-5279369252 [0,1,0,0,0,0|0,0,2]=3 695 B7R1.2 NC1=NC(=CS1)Br MCULE-2960337527 [0,1,0,0,0,0|0,0,2]=3 696 B7R1.2 NC1=NC(=CS1)Cl MCULE-6935745102 [0,1,0,0,0,0|0,0,2]=3 697 B7R1.2 NC1=NC(=CS1)Cl MCULE-7593089270 [0,1,0,0,0,0|0,0,2]=3 698 B7R1.2 NC1=NC(=CS1)O MCULE-3638877946 [0,1,0,0,0,0|0,0,2]=3 699 B7R1.2 NC1=NC(=NN1)Br MCULE-6364682014 [0,1,0,0,0,0|2,0,1]=4 700 B7R1.2 NC1=NC(=NS1)Br MCULE-1866481789 [0,1,0,0,0,0|1,0,1]=3 701 B7R1.2 NC1=NC(=NS1)Cl MCULE-3642370123 [0,1,0,0,0,0|1,0,1]=3 702 B7R1.2 NC1=NC(=O)C=N1 MCULE-2020007120 [0,1,0,0,0,0|1,0,2]=4 703 B7R1.2 NC1=NC(=O)C=N1 MCULE-3303233815 [0,1,0,0,0,0|1,0,2]=4 704 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,1,0,0,0,0|0,1,1]=3 705 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,1,0,0,0,0|0,0,1]=2 706 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,1,0,0,0,0|0,0,1]=2 707 B7R1.2 NC1=NC=C(S1)Br MCULE-2030629126 [0,1,0,0,0,0|0,0,2]=3 708 B7R1.2 NC1=NC=C(S1)Br MCULE-2303466899 [0,1,0,0,0,0|0,0,2]=3 709 B7R1.2 NC1=NC=C(S1)Br MCULE-3055255831 [0,1,0,0,0,0|0,0,2]=3 710 B7R1.2 NC1=NC=C(S1)Br MCULE-9735114751 [0,1,0,0,0,0|0,0,2]=3 711 B7R1.2 NC1=NC=C(S1)Cl MCULE-6889285221 [0,1,0,0,0,0|0,0,2]=3 712 B7R1.2 NC1=NC=C(S1)F MCULE-2829646291 [0,1,0,0,0,0|0,0,2]=3 713 B7R1.2 NC1=NC=C(S1)F MCULE-5116684630 [0,1,0,0,0,0|0,0,2]=3 714 B7R1.2 NC1=NC=C(S1)I MCULE-9377846860 [0,1,0,0,0,0|0,0,2]=3 715 B7R1.2 NC1=NC=C(S1)S MCULE-9384450325 [0,1,0,0,0,0|0,0,2]=3 716 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,1,0,0,0,0|1,0,1]=3 717 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,1,0,0,0,0|1,0,1]=3 718 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,1,0,0,0,0|0,0,1]=2 719 B7R1.2 NC1=NN=C(N1)N MCULE-3092785488 [0,1,0,0,0,0|2,0,1]=4 720 B7R1.2 NC1=NN=C(S1)Br MCULE-7894440609 [0,1,0,0,0,0|1,0,1]=3 721 B7R1.2 NC1=NN=C(S1)Cl MCULE-6963108457 [0,1,0,0,0,0|1,0,1]=3 722 B7R1.2 NC1=NN=C(S1)N MCULE-7888480973 [0,1,0,0,0,0|1,0,1]=3 723 B7R1.2 NC1=NN=C(S1)O MCULE-9726286357 [0,1,0,0,0,0|1,0,1]=3 724 B7R1.2 NC1=NN=C(S1)S MCULE-1701649963 [0,1,0,0,0,0|1,0,1]=3 725 B7R1.2 NC1=NN=C(S1)[S-] MCULE-9249139476 [0,1,0,0,0,0|1,0,1]=3 726 B7R1.2 NC1=NNC(=C1)F MCULE-1801922879 [0,1,0,0,0,0|2,0,1]=4 727 B7R1.2 NC1=NNC(=N1)Cl MCULE-8960444140 [0,1,0,0,0,0|2,0,1]=4 728 B7R1.2 NC1=NNC(=N1)N MCULE-8736634905 [0,1,0,0,0,0|2,0,1]=4 729 B7R1.2 NC1=NNC(=N1)S MCULE-7500186665 [0,1,0,0,0,0|2,0,1]=4 730 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,1,0,0,0,0|2,0,1]=4 731 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [0,1,0,0,0,0|2,0,1]=4 732 B7R1.2 NC1=NOC(=N1)N MCULE-9500709375 [0,1,0,0,0,0|1,1,1]=4 733 B7R1.2 NC1=NOC(=N1)O MCULE-4783377241 [0,1,0,0,0,0|2,0,1]=4 734 B7R1.2 NC1=NSC(=C1)Br MCULE-4756910940 [0,1,0,0,0,0|2,0,1]=4 735 B7R1.2 NC1=NSC(=C1)Br MCULE-9464275440 [0,1,0,0,0,0|2,0,1]=4 736 B7R1.2 NC1=NSC(=N1)Cl MCULE-7863205434 [0,1,0,0,0,0|2,0,1]=4 737 B7R1.2 NC1=NSC(=N1)N MCULE-8497753162 [0,1,0,0,0,0|1,0,1]=3 738 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,1,0,0,0,0|3,0,0]=4 739 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,1,0,0,0,0|3,0,0]=4 740 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,1,0,0,0,0|2,0,1]=4 741 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,1,0,0,0,0|2,0,1]=4 742 B7R1.2 NC1CCC(C1)F MCULE-1052463910 [0,1,0,0,0,0|2,0,1]=4 743 B7R1.2 NC1CCC(C1)F MCULE-1362820422 [0,1,0,0,0,0|2,0,1]=4 744 B7R1.2 NC1CCC(C1)N MCULE-7855552124 [0,1,0,0,0,0|2,0,1]=4 745 B7R1.2 NC1CCC(C1)N MCULE-9706705284 [0,1,0,0,0,0|2,0,1]=4 746 B7R1.2 NC1CCC(C1)O MCULE-5821071286 [0,1,0,0,0,0|2,0,1]=4 747 B7R1.2 NC1CCC(C1)O MCULE-9391783901 [0,1,0,0,0,0|2,0,1]=4 748 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,1,0,0,0,0|2,0,1]=4 749 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,1,0,0,0,0|2,0,1]=4 750 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,1,0,0,0,0|2,0,1]=4 751 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,1,0,0,0,0|2,0,1]=4 752 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,1,0,0,0,0|2,1,0]=4 753 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,1,0,0,0,0|2,1,0]=4 754 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,1,0,0,0,0|2,1,0]=4 755 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,1,0,0,0,0|2,1,0]=4 756 B7R1.2 NC1N=CC(=O)S1 MCULE-9874802810 [0,1,0,0,0,0|0,0,3]=4 757 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [0,1,0,0,0,0|0,0,3]=4 758 B7R1.2 N[C@@H]1CC[C@@H](C1)F MCULE-1039943323 [0,1,0,0,0,0|2,0,1]=4 759 B7R1.2 N[C@@H]1CC[C@@H](C1)F MCULE-3861238775 [0,1,0,0,0,0|2,0,1]=4 760 B7R1.2 N[C@@H]1CC[C@@H](C1)F MCULE-4709681384 [0,1,0,0,0,0|2,0,1]=4 761 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-2973461190 [0,1,0,0,0,0|2,0,1]=4 762 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-5462229704 [0,1,0,0,0,0|2,0,1]=4 763 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-6746606174 [0,1,0,0,0,0|2,0,1]=4 764 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7196403409 [0,1,0,0,0,0|2,0,1]=4 765 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7511735313 [0,1,0,0,0,0|2,0,1]=4 766 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-9023897758 [0,1,0,0,0,0|2,0,1]=4 767 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-1973308112 [0,1,0,0,0,0|2,0,1]=4 768 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-2885294836 [0,1,0,0,0,0|2,0,1]=4 769 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-3217124168 [0,1,0,0,0,0|2,0,1]=4 770 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-3983968357 [0,1,0,0,0,0|2,0,1]=4 771 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-2953432986 [0,1,0,0,0,0|2,0,1]=4 772 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-5679004800 [0,1,0,0,0,0|2,0,1]=4 773 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-7275989455 [0,1,0,0,0,0|2,0,1]=4 774 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-9713633356 [0,1,0,0,0,0|2,0,1]=4 775 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-3286276562 [0,1,0,0,0,0|2,0,1]=4 776 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-5345953109 [0,1,0,0,0,0|2,0,1]=4 777 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-6442703385 [0,1,0,0,0,0|2,0,1]=4 778 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-7457197538 [0,1,0,0,0,0|2,0,1]=4 779 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,1,0,0,0,0|2,0,1]=4 780 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,1,0,0,0,0|2,0,1]=4 781 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,1,0,0,0,0|2,0,1]=4 782 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,1,0,0,0,0|2,0,1]=4 783 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,1,0,0,0,0|2,1,0]=4 784 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,1,0,0,0,0|2,1,0]=4 785 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,1,0,0,0,0|2,1,0]=4 786 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,1,0,0,0,0|2,1,0]=4 787 B7R1.2 N[C@H]1CC[C@@H](C1)F MCULE-7847317272 [0,1,0,0,0,0|2,0,1]=4 788 B7R1.2 N[C@H]1CC[C@@H](C1)F MCULE-8833201415 [0,1,0,0,0,0|2,0,1]=4 789 B7R1.2 N[C@H]1CC[C@@H](C1)N MCULE-3035711729 [0,1,0,0,0,0|2,0,1]=4 790 B7R1.2 N[C@H]1CC[C@@H](C1)N MCULE-6912512686 [0,1,0,0,0,0|2,0,1]=4 791 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-2764158583 [0,1,0,0,0,0|2,0,1]=4 792 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-5047569623 [0,1,0,0,0,0|2,0,1]=4 793 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-7674066148 [0,1,0,0,0,0|2,0,1]=4 794 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-8478778872 [0,1,0,0,0,0|2,0,1]=4 795 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-1792150017 [0,1,0,0,0,0|2,0,1]=4 796 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-4563758183 [0,1,0,0,0,0|2,0,1]=4 797 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-4785441600 [0,1,0,0,0,0|2,0,1]=4 798 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-5413630050 [0,1,0,0,0,0|2,0,1]=4 799 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-7223746698 [0,1,0,0,0,0|2,0,1]=4 800 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-9000616089 [0,1,0,0,0,0|2,0,1]=4 801 B7R1.2 N[C@H]1CC[C@H](C1)N MCULE-3378648870 [0,1,0,0,0,0|2,0,1]=4 802 B7R1.2 N[C@H]1CC[C@H](C1)N MCULE-7356571170 [0,1,0,0,0,0|2,0,1]=4 803 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-3786824722 [0,1,0,0,0,0|2,0,1]=4 804 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-4140170961 [0,1,0,0,0,0|2,0,1]=4 805 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5760466174 [0,1,0,0,0,0|2,0,1]=4 806 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5995468864 [0,1,0,0,0,0|2,0,1]=4 807 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-6230469368 [0,1,0,0,0,0|2,0,1]=4 808 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-9622062244 [0,1,0,0,0,0|2,0,1]=4 809 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,1,0,0,0,0|2,0,1]=4 810 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,1,0,0,0,0|2,0,1]=4 811 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,1,0,0,0,0|2,0,1]=4 812 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,1,0,0,0,0|2,0,1]=4 813 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,1,0,0,0,0|2,0,1]=4 814 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,1,0,0,0,0|2,0,1]=4 815 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,1,0,0,0,0|2,1,0]=4 816 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,1,0,0,0,0|2,1,0]=4 817 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,1,0,0,0,0|2,1,0]=4 818 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,1,0,0,0,0|2,1,0]=4 819 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,1,0,0,0,0|2,0,1]=4 820 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,1,0,0,0,0|2,0,1]=4 821 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,1,0,0,0,0|2,1,0]=4 822 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,1,0,0,0,0|2,1,0]=4 823 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,1,0,0,0,0|3,0,0]=4 824 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,1,0,0,0,0|3,0,0]=4 825 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,1,0,0,0,0|3,0,0]=4 826 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,1,0,0,0,0|2,0,1]=4 827 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,1,0,0,0,0|2,1,0]=4 828 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,1,0,0,0,0|2,1,0]=4 829 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,1,0,0,0,0|1,0,2]=4 830 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,1,0,0,0,0|1,0,2]=4 831 B7R1.2 O=C1CNC(S1)S MCULE-9237115672 [0,1,0,0,0,0|3,0,0]=4 832 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,1,0,0,0,0|1,0,2]=4 833 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [0,1,0,0,0,0|1,0,2]=4 834 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,1,0,0,0,0|2,0,1]=4 835 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,1,0,0,0,0|2,0,1]=4 836 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,1,0,0,0,0|2,1,0]=4 837 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,1,0,0,0,0|2,1,0]=4 838 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,1,0,0,0,0|2,0,1]=4 839 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,1,0,0,0,0|2,0,1]=4 840 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,1,0,0,0,0|2,0,1]=4 841 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,1,0,0,0,0|2,0,1]=4 842 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,1,0,0,0,0|2,1,0]=4 843 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,1,0,0,0,0|2,1,0]=4 844 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [0,1,0,0,0,0|1,0,2]=4 845 B7R1.2 O=C1NN=C(S1)Cl MCULE-9941660941 [0,1,0,0,0,0|2,0,1]=4 846 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,1,0,0,0,0|2,1,0]=4 847 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,1,0,0,0,0|2,1,0]=4 848 B7R1.2 OC1=NC(=CS1)Br MCULE-6006572224 [0,1,0,0,0,0|1,0,2]=4 849 B7R1.2 SC1=NC=C(S1)Cl MCULE-5218596290 [0,1,0,0,0,0|1,0,2]=4 850 B7R1.2 SC1=NN=C(S1)S MCULE-1911860782 [0,1,0,0,0,0|2,0,1]=4 851 B7R1.2 SC1=NSC(=N1)S MCULE-8669754313 [0,1,0,0,0,0|2,0,1]=4 852 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-3137346382 [0,1,0,0,0,0|2,0,1]=4 853 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-9954737796 [0,1,0,0,0,0|2,0,1]=4 854 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,1,0,0,0,0|3,0,0]=4 855 B7R1.2 [NH3+]C1=NC=C(S1)Cl MCULE-6430169238 [0,1,0,0,0,0|0,0,3]=4 856 B7R1.2 [S-]C1=NN=C(S1)[S-] MCULE-8369378937 [0,1,0,0,0,0|2,0,1]=4 857 B7R1.2 [S-]C1=NSC(=N1)[S-] MCULE-3268022230 [0,1,0,0,0,0|2,0,1]=4 858 B7R1.4 BrC1=C(CCC1)Br MCULE-2617233515 [0,1,0,0,0,0|3,0,0]=4 859 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,1,0,0,0,0|2,0,1]=4 860 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,1,0,0,0,0|2,0,1]=4 861 B7R1.4 C=C1CCCC1O MCULE-3026250203 [0,1,0,0,0,0|3,0,0]=4 862 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,1,0,0,0,0|2,0,1]=4 863 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,1,0,0,0,0|2,1,0]=4 864 B7R1.4 CC1=C(N=CS1)N MCULE-4599689544 [0,1,0,0,0,0|2,0,1]=4 865 B7R1.4 CC1=C(N=CS1)N MCULE-6109505951 [0,1,0,0,0,0|2,0,1]=4 866 B7R1.4 CC1=C(SC=N1)N MCULE-1396035800 [0,1,0,0,0,0|2,0,1]=4 867 B7R1.4 CC1=C(SC=N1)N MCULE-3965111306 [0,1,0,0,0,0|2,0,1]=4 868 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,1,0,0,0,0|3,0,0]=4 869 B7R1.4 CC1=CNN=C1N MCULE-4529381336 [0,1,0,0,0,0|2,0,1]=4 870 B7R1.4 CC1=CON=C1N MCULE-6766602702 [0,1,0,0,0,0|2,0,1]=4 871 B7R1.4 CC1=NON=C1N MCULE-3382265106 [0,1,0,0,0,0|3,0,0]=4 872 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,1,0,0,0,0|3,0,0]=4 873 B7R1.4 CC1CCCC1N MCULE-4318156403 [0,1,0,0,0,0|2,0,1]=4 874 B7R1.4 CC1CCCC1N MCULE-4434172193 [0,1,0,0,0,0|2,0,1]=4 875 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,1,0,0,0,0|2,0,1]=4 876 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,1,0,0,0,0|2,1,0]=4 877 B7R1.4 CC1CON=C1N MCULE-8845082604 [0,1,0,0,0,0|2,0,0]=3 878 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,1,0,0,0,0|2,0,1]=4 879 B7R1.4 CC1SCCC1N MCULE-5160182865 [0,1,0,0,0,0|2,0,1]=4 880 B7R1.4 CC1SCCC1N MCULE-8827106279 [0,1,0,0,0,0|2,0,1]=4 881 B7R1.4 CC1SCCC1O MCULE-4342593310 [0,1,0,0,0,0|2,0,1]=4 882 B7R1.4 CN1C=CN=C1N MCULE-2411967317 [0,1,0,0,0,0|1,0,2]=4 883 B7R1.4 CN1C=CN=C1N MCULE-3692285948 [0,1,0,0,0,0|1,0,2]=4 884 B7R1.4 CN1C=NN=C1N MCULE-2833363716 [0,1,0,0,0,0|2,0,1]=4 885 B7R1.4 CN1C=NN=C1N MCULE-4445263768 [0,1,0,0,0,0|2,0,1]=4 886 B7R1.4 CN1C=NN=C1N MCULE-8779561450 [0,1,0,0,0,0|2,0,1]=4 887 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,1,0,0,0,0|2,0,1]=4 888 B7R1.4 CN1CCCC1=S MCULE-1990879544 [0,1,0,0,0,0|2,0,1]=4 889 B7R1.4 CN1CCN=C1N MCULE-2837197751 [0,1,0,0,0,0|1,0,0]=2 890 B7R1.4 CN1CCN=C1N MCULE-3453498956 [0,1,0,0,0,0|1,0,0]=2 891 B7R1.4 CN1CCN=C1N MCULE-5148335318 [0,1,0,0,0,0|1,0,0]=2 892 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,1,0,0,0,0|2,0,1]=4 893 B7R1.4 CN1CCNC1=S MCULE-5960493935 [0,1,0,0,0,0|2,0,1]=4 894 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,1,0,0,0,0|1,1,1]=4 895 B7R1.4 CN1CCSC1=N MCULE-4301061048 [0,1,0,0,0,0|0,0,2]=3 896 B7R1.4 CN1CCSC1=N MCULE-6525392774 [0,1,0,0,0,0|0,0,2]=3 897 B7R1.4 CN1CCSC1=S MCULE-4468510205 [0,1,0,0,0,0|1,0,1]=3 898 B7R1.4 CN1N=CN=C1N MCULE-3817790062 [0,1,0,0,0,0|2,0,1]=4 899 B7R1.4 CN1N=NN=C1N MCULE-8119048357 [0,1,0,0,0,0|3,0,0]=4 900 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-6206070680 [0,1,0,0,0,0|2,0,1]=4 901 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-9964938082 [0,1,0,0,0,0|2,0,1]=4 902 B7R1.4 C[C@@H]1CCC[C@H]1N MCULE-8385969474 [0,1,0,0,0,0|2,0,1]=4 903 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,1,0,0,0,0|2,0,1]=4 904 B7R1.4 C[C@H]1CCC[C@@H]1N MCULE-4150988023 [0,1,0,0,0,0|2,0,1]=4 905 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-3329868072 [0,1,0,0,0,0|2,0,1]=4 906 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-4186145172 [0,1,0,0,0,0|2,0,1]=4 907 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,1,0,0,0,0|2,0,1]=4 908 B7R1.4 NC1=C(C=CS1)Br MCULE-9931355765 [0,1,0,0,0,0|1,0,2]=4 909 B7R1.4 NC1=C(SC=N1)Br MCULE-5191475456 [0,1,0,0,0,0|2,0,1]=4 910 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,1,0,0,0,0|3,0,0]=4 911 B7R1.4 NC1=CNN=C1N MCULE-1287724099 [0,1,0,0,0,0|2,0,1]=4 912 B7R1.4 NC1=CNN=C1N MCULE-2267689782 [0,1,0,0,0,0|2,0,1]=4 913 B7R1.4 NC1=CNN=C1N MCULE-4410982657 [0,1,0,0,0,0|2,0,1]=4 914 B7R1.4 NC1=NN=CN1N MCULE-4081315170 [0,1,0,0,0,0|2,0,1]=4 915 B7R1.4 NC1=NN=CN1N MCULE-8486970234 [0,1,0,0,0,0|2,0,1]=4 916 B7R1.4 NC1=NN=NN1N MCULE-1255388740 [0,1,0,0,0,0|3,0,0]=4 917 B7R1.4 NC1=NNC=C1Br MCULE-5565605259 [0,1,0,0,0,0|2,0,1]=4 918 B7R1.4 NC1=NNC=C1Cl MCULE-3378158822 [0,1,0,0,0,0|2,0,1]=4 919 B7R1.4 NC1=NNC=C1Cl MCULE-6959500523 [0,1,0,0,0,0|2,0,1]=4 920 B7R1.4 NC1=NNC=C1I MCULE-4763278542 [0,1,0,0,0,0|2,0,1]=4 921 B7R1.4 NC1=NOC=C1Br MCULE-5371812507 [0,1,0,0,0,0|2,0,1]=4 922 B7R1.4 NC1=NOC=C1Cl MCULE-3098999490 [0,1,0,0,0,0|2,0,1]=4 923 B7R1.4 NC1=NON=C1Cl MCULE-2142721475 [0,1,0,0,0,0|3,0,0]=4 924 B7R1.4 NC1=NON=C1N MCULE-9556144390 [0,1,0,0,0,0|3,0,0]=4 925 B7R1.4 NC1=NON=C1O MCULE-6904763946 [0,1,0,0,0,0|3,0,0]=4 926 B7R1.4 NC1=NSN=C1Br MCULE-7318483876 [0,1,0,0,0,0|3,0,0]=4 927 B7R1.4 NC1=NSN=C1Cl MCULE-3486147658 [0,1,0,0,0,0|3,0,0]=4 928 B7R1.4 NC1=NSN=C1N MCULE-6308297958 [0,1,0,0,0,0|3,0,0]=4 929 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,1,0,0,0,0|2,0,1]=4 930 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,1,0,0,0,0|2,0,1]=4 931 B7R1.4 NC1CCCC1F MCULE-2221939717 [0,1,0,0,0,0|2,0,1]=4 932 B7R1.4 NC1CCCC1F MCULE-7473190715 [0,1,0,0,0,0|2,0,1]=4 933 B7R1.4 NC1CCCC1N MCULE-5161769230 [0,1,0,0,0,0|2,0,1]=4 934 B7R1.4 NC1CCCC1N MCULE-7834445190 [0,1,0,0,0,0|2,0,1]=4 935 B7R1.4 NC1CCCC1O MCULE-1657591641 [0,1,0,0,0,0|2,0,1]=4 936 B7R1.4 NC1CCCC1O MCULE-6248992494 [0,1,0,0,0,0|2,0,1]=4 937 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,1,0,0,0,0|2,0,1]=4 938 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,1,0,0,0,0|2,0,1]=4 939 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,0,0,0|2,1,0]=4 940 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,0,0,0|2,1,0]=4 941 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,0,0,0|2,1,0]=4 942 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,0,0,0|2,1,0]=4 943 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,0,0,0|2,1,0]=4 944 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,0,0,0|2,1,0]=4 945 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,1,0,0,0,0|2,0,0]=3 946 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,1,0,0,0,0|2,0,0]=3 947 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,1,0,0,0,0|2,0,1]=4 948 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,1,0,0,0,0|2,0,1]=4 949 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,1,0,0,0,0|2,0,1]=4 950 B7R1.4 NN1CCNC1=S MCULE-6710971353 [0,1,0,0,0,0|2,0,1]=4 951 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,1,0,0,0,0|1,1,1]=4 952 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,1,0,0,0,0|1,1,1]=4 953 B7R1.4 N[C@@H]1CCC[C@@H]1F MCULE-5918995947 [0,1,0,0,0,0|2,0,1]=4 954 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [0,1,0,0,0,0|2,0,1]=4 955 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [0,1,0,0,0,0|2,0,1]=4 956 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [0,1,0,0,0,0|2,0,1]=4 957 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [0,1,0,0,0,0|2,0,1]=4 958 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [0,1,0,0,0,0|2,0,1]=4 959 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-1389039924 [0,1,0,0,0,0|2,0,1]=4 960 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-2197861570 [0,1,0,0,0,0|2,0,1]=4 961 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-3318849776 [0,1,0,0,0,0|2,0,1]=4 962 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-5395257521 [0,1,0,0,0,0|2,0,1]=4 963 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-8318262942 [0,1,0,0,0,0|2,0,1]=4 964 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-9877401480 [0,1,0,0,0,0|2,0,1]=4 965 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-1630250066 [0,1,0,0,0,0|2,0,1]=4 966 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-5738867214 [0,1,0,0,0,0|2,0,1]=4 967 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-5794367720 [0,1,0,0,0,0|2,0,1]=4 968 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-6079002018 [0,1,0,0,0,0|2,0,1]=4 969 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-7332231839 [0,1,0,0,0,0|2,0,1]=4 970 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-7604406385 [0,1,0,0,0,0|2,0,1]=4 971 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [0,1,0,0,0,0|2,0,1]=4 972 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [0,1,0,0,0,0|2,0,1]=4 973 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [0,1,0,0,0,0|2,0,1]=4 974 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [0,1,0,0,0,0|2,0,1]=4 975 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [0,1,0,0,0,0|2,0,1]=4 976 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [0,1,0,0,0,0|2,0,1]=4 977 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,1,0,0,0,0|2,0,1]=4 978 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,1,0,0,0,0|2,0,1]=4 979 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,1,0,0,0,0|2,0,1]=4 980 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,1,0,0,0,0|2,0,1]=4 981 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,0,0,0|2,1,0]=4 982 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,0,0,0|2,1,0]=4 983 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,0,0,0|2,1,0]=4 984 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,0,0,0|2,1,0]=4 985 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,1,0,0,0,0|2,0,0]=3 986 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,1,0,0,0,0|2,0,0]=3 987 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,1,0,0,0,0|2,0,0]=3 988 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,1,0,0,0,0|2,0,0]=3 989 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [0,1,0,0,0,0|2,0,1]=4 990 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [0,1,0,0,0,0|2,0,1]=4 991 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [0,1,0,0,0,0|2,0,1]=4 992 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [0,1,0,0,0,0|2,0,1]=4 993 B7R1.4 N[C@H]1CCC[C@H]1N MCULE-1361897949 [0,1,0,0,0,0|2,0,1]=4 994 B7R1.4 N[C@H]1CCC[C@H]1N MCULE-4545374374 [0,1,0,0,0,0|2,0,1]=4 995 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [0,1,0,0,0,0|2,0,1]=4 996 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [0,1,0,0,0,0|2,0,1]=4 997 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [0,1,0,0,0,0|2,0,1]=4 998 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [0,1,0,0,0,0|2,0,1]=4 999 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [0,1,0,0,0,0|2,0,1]=4 1000 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,1,0,0,0,0|2,0,1]=4 1001 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,1,0,0,0,0|2,0,1]=4 1002 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,1,0,0,0,0|2,0,1]=4 1003 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,1,0,0,0,0|2,0,1]=4 1004 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,0,0,0|2,1,0]=4 1005 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,0,0,0|2,1,0]=4 1006 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,0,0,0|2,1,0]=4 1007 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,0,0,0|2,1,0]=4 1008 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,0,0,0|2,1,0]=4 1009 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,1,0,0,0,0|2,0,0]=3 1010 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,1,0,0,0,0|2,0,0]=3 1011 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,1,0,0,0,0|2,0,0]=3 1012 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,1,0,0,0,0|2,0,0]=3 1013 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,1,0,0,0,0|3,0,0]=4 1014 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,1,0,0,0,0|3,0,0]=4 1015 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,0,0,0|3,0,0]=4 1016 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,1,0,0,0,0|3,0,0]=4 1017 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,1,0,0,0,0|3,0,0]=4 1018 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,1,0,0,0,0|3,0,0]=4 1019 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,1,0,0,0,0|3,0,0]=4 1020 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,1,0,0,0,0|3,0,0]=4 1021 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,1,0,0,0,0|2,0,1]=4 1022 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,1,0,0,0,0|2,0,1]=4 1023 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,1,0,0,0,0|2,0,1]=4 1024 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,1,0,0,0,0|2,0,1]=4 1025 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,1,0,0,0,0|2,0,1]=4 1026 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,1,0,0,0,0|2,0,1]=4 1027 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,1,0,0,0,0|2,0,1]=4 1028 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,1,0,0,0,0|2,0,1]=4 1029 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,1,0,0,0,0|2,0,1]=4 1030 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,1,0,0,0,0|2,0,1]=4 1031 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,1,0,0,0,0|2,1,0]=4 1032 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,0,0,0|2,1,0]=4 1033 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,1,0,0,0,0|2,1,0]=4 1034 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,0,0,0|2,1,0]=4 1035 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,0,0,0|2,1,0]=4 1036 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,0,0,0|2,1,0]=4 1037 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,0,0,0|2,1,0]=4 1038 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,1,0,0,0,0|3,0,0]=4 1039 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-2430440513 [0,1,0,0,0,0|2,0,1]=4 1040 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-8503171996 [0,1,0,0,0,0|2,0,1]=4 1041 B7R1.4 [C@@H]1(CCC[C@H]1N)F MCULE-5545998720 [0,1,0,0,0,0|2,0,1]=4 1042 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,1,0,0,0,0|2,1,0]=4 1043 B7R1.14 CC1(CCCC1)N MCULE-1696024032 [0,1,0,0,0,0|2,0,1]=4 1044 B7R1.14 CC1(CCCC1)N MCULE-7897960444 [0,1,0,0,0,0|2,0,1]=4 1045 B7R1.14 CC1(NCCS1)C MCULE-6270583158 [0,1,0,0,0,0|1,0,2]=4 1046 B5R0.1 C(C)(N)CCC MCULE-4800297905 [0,0,1,0,0,0|2,0,1]=4 1047 B5R0.1 C(C)(N)CCC MCULE-7674864567 [0,0,1,0,0,0|2,0,1]=4 1048 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,0,1,0,0,0|1,1,1]=4 1049 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,0,1,0,0,0|3,0,0]=4 1050 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,0,1,0,0,0|2,1,0]=4 1051 B5R0.1 C=CCC(=N)N MCULE-6305125234 [0,0,1,0,0,0|1,0,2]=4 1052 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,0,1,0,0,0|3,0,0]=4 1053 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,0,1,0,0,0|1,1,1]=4 1054 B5R0.1 CCC=C(C)C MCULE-2405063894 [0,0,1,0,0,0|3,0,0]=4 1055 B5R0.1 CCC=C(F)F MCULE-5180612061 [0,0,1,0,0,0|3,0,0]=4 1056 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,0,1,0,0,0|1,0,0]=2 1057 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,0,1,0,0,0|1,0,0]=2 1058 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,0,1,0,0,0|2,1,0]=4 1059 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,0,1,0,0,0|2,1,0]=4 1060 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,0,1,0,0,0|1,1,0]=3 1061 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,0,1,0,0,0|2,1,0]=4 1062 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,0,1,0,0,0|2,1,0]=4 1063 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,0,1,0,0,0|2,1,0]=4 1064 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,0,1,0,0,0|1,0,1]=3 1065 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,0,1,0,0,0|2,0,1]=4 1066 B5R0.1 CCCC(C)N MCULE-2640298430 [0,0,1,0,0,0|2,0,1]=4 1067 B5R0.1 CCCC(C)N MCULE-7225905167 [0,0,1,0,0,0|2,0,1]=4 1068 B5R0.1 CCCC(C)S MCULE-1649095713 [0,0,1,0,0,0|2,0,1]=4 1069 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [0,0,1,0,0,0|2,0,1]=4 1070 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [0,0,1,0,0,0|2,0,1]=4 1071 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [0,0,1,0,0,0|2,0,1]=4 1072 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [0,0,1,0,0,0|2,0,1]=4 1073 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [0,0,1,0,0,0|2,0,1]=4 1074 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [0,0,1,0,0,0|2,0,1]=4 1075 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [0,0,1,0,0,0|2,0,1]=4 1076 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [0,0,1,0,0,0|2,0,1]=4 1077 B5R0.1 CCNC(=N)N MCULE-4729418155 [0,0,1,0,0,0|1,0,0]=2 1078 B5R0.1 CCNC(=N)N MCULE-5123343071 [0,0,1,0,0,0|1,0,0]=2 1079 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,0,1,0,0,0|1,1,1]=4 1080 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,0,1,0,0,0|1,1,1]=4 1081 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,0,1,0,0,0|0,1,1]=3 1082 B5R0.1 CCNC(=S)N MCULE-3849517146 [0,0,1,0,0,0|0,0,2]=3 1083 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,0,1,0,0,0|1,1,0]=3 1084 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,0,1,0,0,0|1,1,0]=3 1085 B5R0.1 CCOC(=N)N MCULE-3570858508 [0,0,1,0,0,0|0,1,0]=2 1086 B5R0.1 CCOC(=N)N MCULE-6061063856 [0,0,1,0,0,0|0,1,0]=2 1087 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,0,1,0,0,0|2,1,0]=4 1088 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,0,1,0,0,0|2,1,0]=4 1089 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,0,1,0,0,0|1,1,0]=3 1090 B5R0.1 CCOC(=S)C MCULE-3358897597 [0,0,1,0,0,0|2,0,1]=4 1091 B5R0.1 CCOC(=S)N MCULE-4649285010 [0,0,1,0,0,0|1,0,1]=3 1092 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [0,0,1,0,0,0|2,0,1]=4 1093 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [0,0,1,0,0,0|2,0,1]=4 1094 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [0,0,1,0,0,0|2,0,1]=4 1095 B5R0.1 CCSC(=N)N MCULE-2161729152 [0,0,1,0,0,0|0,0,0]=1 1096 B5R0.1 CCSC(=N)N MCULE-2547252984 [0,0,1,0,0,0|0,0,0]=1 1097 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,0,1,0,0,0|2,0,0]=3 1098 B5R0.1 CCSC(=S)C MCULE-1502137460 [0,0,1,0,0,0|2,0,0]=3 1099 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [0,0,1,0,0,0|2,0,0]=3 1100 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [0,0,1,0,0,0|2,0,0]=3 1101 B5R0.1 CCSC(C)C MCULE-3738251898 [0,0,1,0,0,0|2,0,1]=4 1102 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [0,0,1,0,0,0|1,0,0]=2 1103 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [0,0,1,0,0,0|0,1,1]=3 1104 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [0,0,1,0,0,0|0,1,1]=3 1105 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,0,1,0,0,0|2,1,0]=4 1106 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,0,1,0,0,0|2,1,0]=4 1107 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,0,1,0,0,0|2,1,0]=4 1108 B5R0.1 CNN=C(C)C MCULE-6307375856 [0,0,1,0,0,0|3,0,0]=4 1109 B5R0.1 CNNC(=S)N MCULE-5838387497 [0,0,1,0,0,0|1,0,2]=4 1110 B5R0.1 COCC(=N)N MCULE-4711728356 [0,0,1,0,0,0|2,0,0]=3 1111 B5R0.1 COCC(=N)N MCULE-7163250467 [0,0,1,0,0,0|2,0,0]=3 1112 B5R0.1 COCC(=O)N MCULE-6674958132 [0,0,1,0,0,0|2,1,0]=4 1113 B5R0.1 COCC(=S)N MCULE-2046809269 [0,0,1,0,0,0|2,0,1]=4 1114 B5R0.1 CONC(=O)N MCULE-3063713861 [0,0,1,0,0,0|1,1,1]=4 1115 B5R0.1 CSCC(=N)N MCULE-7800929509 [0,0,1,0,0,0|2,0,0]=3 1116 B5R0.1 CSCC(=N)N MCULE-8499985777 [0,0,1,0,0,0|2,0,0]=3 1117 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,0,1,0,0,0|2,1,0]=4 1118 B5R0.1 CSCC(=S)N MCULE-5029100305 [0,0,1,0,0,0|2,0,1]=4 1119 B5R0.1 N#CN=C(N)N MCULE-3951314719 [0,0,1,0,0,0|2,0,1]=4 1120 B5R0.1 N=C(N)CCCl MCULE-2314996365 [0,0,1,0,0,0|2,0,0]=3 1121 B5R0.1 N=C(N)CCCl MCULE-3129838313 [0,0,1,0,0,0|2,0,0]=3 1122 B5R0.1 N=C(N)CCO MCULE-4567824707 [0,0,1,0,0,0|2,0,0]=3 1123 B5R0.1 N=C(N)CCO MCULE-7139693715 [0,0,1,0,0,0|2,0,0]=3 1124 B5R0.1 N=C(N)NC=O MCULE-2702198735 [0,0,1,0,0,0|2,0,1]=4 1125 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,0,1,0,0,0|2,1,0]=4 1126 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,0,1,0,0,0|2,1,0]=4 1127 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,0,1,0,0,0|2,1,0]=4 1128 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,0,1,0,0,0|2,1,0]=4 1129 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,0,1,0,0,0|1,1,1]=4 1130 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,0,1,0,0,0|2,1,0]=4 1131 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,0,1,0,0,0|2,1,0]=4 1132 B5R0.2 C/C=C/CCC MCULE-9851656818 [0,0,1,0,0,0|3,0,0]=4 1133 B5R0.2 C/C=C/CCO MCULE-3952855392 [0,0,1,0,0,0|2,1,0]=4 1134 B5R0.2 C/C=C\CCC MCULE-1013657748 [0,0,1,0,0,0|3,0,0]=4 1135 B5R0.2 C=CCCCBr MCULE-5027518679 [0,0,1,0,0,0|3,0,0]=4 1136 B5R0.2 C=CCCCC MCULE-4750698031 [0,0,1,0,0,0|3,0,0]=4 1137 B5R0.2 C=CCCCCl MCULE-3877430809 [0,0,1,0,0,0|3,0,0]=4 1138 B5R0.2 C=CCCCI MCULE-8692831514 [0,0,1,0,0,0|3,0,0]=4 1139 B5R0.2 C=CCCCN MCULE-5787926547 [0,0,1,0,0,0|2,0,1]=4 1140 B5R0.2 C=CCCCN MCULE-7346989227 [0,0,1,0,0,0|2,0,1]=4 1141 B5R0.2 C=CCCCO MCULE-5946342321 [0,0,1,0,0,0|2,1,0]=4 1142 B5R0.2 C=COCCC MCULE-4423853666 [0,0,1,0,0,0|2,1,0]=4 1143 B5R0.2 C=COCCCl MCULE-7782311030 [0,0,1,0,0,0|2,1,0]=4 1144 B5R0.2 C=COCCN MCULE-8052872924 [0,0,1,0,0,0|1,1,1]=4 1145 B5R0.2 C=COCCN MCULE-8496820259 [0,0,1,0,0,0|1,1,1]=4 1146 B5R0.2 C=COCCO MCULE-9383372818 [0,0,1,0,0,0|2,1,0]=4 1147 B5R0.2 CC=CCCBr MCULE-7329159278 [0,0,1,0,0,0|3,0,0]=4 1148 B5R0.2 CC=CCCC MCULE-8736231124 [0,0,1,0,0,0|3,0,0]=4 1149 B5R0.2 CC=CCCN MCULE-5129102475 [0,0,1,0,0,0|2,0,1]=4 1150 B5R0.2 CC=CCCN MCULE-8500001929 [0,0,1,0,0,0|2,0,1]=4 1151 B5R0.2 CC=CCCO MCULE-4302367089 [0,0,1,0,0,0|2,1,0]=4 1152 B5R0.2 CCCCC=O MCULE-4736782822 [0,0,1,0,0,0|3,0,0]=4 1153 B5R0.2 CCCCCN MCULE-3371742982 [0,0,1,0,0,0|2,0,1]=4 1154 B5R0.2 CCCCCN MCULE-4371067300 [0,0,1,0,0,0|2,0,1]=4 1155 B5R0.2 CCCCCN MCULE-6547961798 [0,0,1,0,0,0|2,0,1]=4 1156 B5R0.2 CCCCCN MCULE-7483248760 [0,0,1,0,0,0|2,0,1]=4 1157 B5R0.2 CCCCCS MCULE-5476379340 [0,0,1,0,0,0|2,0,1]=4 1158 B5R0.2 CCCCNN MCULE-6681305566 [0,0,1,0,0,0|3,0,0]=4 1159 B5R0.2 CCCCNN MCULE-6890760890 [0,0,1,0,0,0|3,0,0]=4 1160 B5R0.2 CCCCNN MCULE-7362497327 [0,0,1,0,0,0|3,0,0]=4 1161 B5R0.2 CCCCNN MCULE-8463623644 [0,0,1,0,0,0|3,0,0]=4 1162 B5R0.2 CCCCON MCULE-7582349983 [0,0,1,0,0,0|3,0,0]=4 1163 B5R0.2 CCCCON MCULE-8175627798 [0,0,1,0,0,0|3,0,0]=4 1164 B5R0.2 CCCN=C=O MCULE-9014468293 [0,0,1,0,0,0|2,0,1]=4 1165 B5R0.2 CCCN=C=S MCULE-7947940355 [0,0,1,0,0,0|2,0,1]=4 1166 B5R0.2 CCCNC=O MCULE-6344556391 [0,0,1,0,0,0|2,0,1]=4 1167 B5R0.2 CCCOC=O MCULE-3133604529 [0,0,1,0,0,0|2,1,0]=4 1168 B5R0.2 CCCSC#N MCULE-9018157774 [0,0,1,0,0,0|1,0,2]=4 1169 B5R0.2 CCCSCC MCULE-4547385568 [0,0,1,0,0,0|2,0,1]=4 1170 B5R0.2 CCCSSC MCULE-3127072032 [0,0,1,0,0,0|3,0,0]=4 1171 B5R0.2 CCOCCS MCULE-3968740645 [0,0,1,0,0,0|2,0,1]=4 1172 B5R0.2 CCSCCBr MCULE-9449933342 [0,0,1,0,0,0|2,0,1]=4 1173 B5R0.2 CCSCCCl MCULE-4057847237 [0,0,1,0,0,0|2,0,1]=4 1174 B5R0.2 CCSCCN MCULE-3375644872 [0,0,1,0,0,0|1,0,2]=4 1175 B5R0.2 CCSCCN MCULE-4466279976 [0,0,1,0,0,0|1,0,2]=4 1176 B5R0.2 CCSCCO MCULE-3557086162 [0,0,1,0,0,0|2,0,1]=4 1177 B5R0.2 CCSCCS MCULE-4583054157 [0,0,1,0,0,0|2,0,1]=4 1178 B5R0.2 COCCCS MCULE-2371333731 [0,0,1,0,0,0|3,0,0]=4 1179 B5R0.2 CSCCCS MCULE-8405766359 [0,0,1,0,0,0|3,0,0]=4 1180 B5R0.2 CSSCCN MCULE-7065189564 [0,0,1,0,0,0|2,0,1]=4 1181 B5R0.2 CSSCCN MCULE-8654200268 [0,0,1,0,0,0|2,0,1]=4 1182 B5R0.2 FCCN=C=S MCULE-4106769677 [0,0,1,0,0,0|2,0,1]=4 1183 B5R0.2 N#CSCCCl MCULE-1181766006 [0,0,1,0,0,0|1,0,2]=4 1184 B5R0.2 N#N=NCCBr MCULE-5285576727 [0,0,1,0,0,0|2,0,1]=4 1185 B5R0.2 N#N=NCCCl MCULE-2902338750 [0,0,1,0,0,0|2,0,1]=4 1186 B5R0.2 N#N=NCCF MCULE-8153375666 [0,0,1,0,0,0|2,0,1]=4 1187 B5R0.2 N#N=NCCI MCULE-6126000950 [0,0,1,0,0,0|2,0,1]=4 1188 B5R0.2 N#N=NCCN MCULE-2129393630 [0,0,1,0,0,0|2,0,1]=4 1189 B5R0.2 N#N=NCCN MCULE-2260153271 [0,0,1,0,0,0|2,0,1]=4 1190 B5R0.2 N#N=NCCO MCULE-6147827656 [0,0,1,0,0,0|1,1,1]=4 1191 B5R0.2 NCCCCBr MCULE-7095299053 [0,0,1,0,0,0|2,0,1]=4 1192 B5R0.2 NCCCCBr MCULE-7716027825 [0,0,1,0,0,0|2,0,1]=4 1193 B5R0.2 NCCCCCl MCULE-8484381726 [0,0,1,0,0,0|2,0,1]=4 1194 B5R0.2 NCCCCCl MCULE-9917306082 [0,0,1,0,0,0|2,0,1]=4 1195 B5R0.2 NCCCCF MCULE-4260727945 [0,0,1,0,0,0|2,0,1]=4 1196 B5R0.2 NCCCCF MCULE-7716720921 [0,0,1,0,0,0|2,0,1]=4 1197 B5R0.2 NCCCCN MCULE-3098044935 [0,0,1,0,0,0|1,0,2]=4 1198 B5R0.2 NCCCCN MCULE-7898833229 [0,0,1,0,0,0|1,0,2]=4 1199 B5R0.2 NCCCCN MCULE-8029479697 [0,0,1,0,0,0|1,0,2]=4 1200 B5R0.2 NCCCCN MCULE-8509656776 [0,0,1,0,0,0|1,0,2]=4 1201 B5R0.2 NCCCCO MCULE-7395674091 [0,0,1,0,0,0|1,1,1]=4 1202 B5R0.2 NCCCCS MCULE-4353910418 [0,0,1,0,0,0|1,0,1]=3 1203 B5R0.2 NCCCCS MCULE-9812416858 [0,0,1,0,0,0|1,0,1]=3 1204 B5R0.2 NCCCNN MCULE-7657257572 [0,0,1,0,0,0|2,0,1]=4 1205 B5R0.2 NCCCON MCULE-1071170242 [0,0,1,0,0,0|2,0,1]=4 1206 B5R0.2 NCCCON MCULE-7767315563 [0,0,1,0,0,0|2,0,1]=4 1207 B5R0.2 NNCCCO MCULE-5557482626 [0,0,1,0,0,0|2,1,0]=4 1208 B5R0.2 NNCCCO MCULE-7351853032 [0,0,1,0,0,0|2,1,0]=4 1209 B5R0.2 NNCCCO MCULE-7919314403 [0,0,1,0,0,0|2,1,0]=4 1210 B5R0.2 NOCCCO MCULE-1072312935 [0,0,1,0,0,0|2,1,0]=4 1211 B5R0.2 NOCCCO MCULE-3715520109 [0,0,1,0,0,0|2,1,0]=4 1212 B5R0.2 NOCCCS MCULE-2063976508 [0,0,1,0,0,0|2,0,0]=3 1213 B5R0.2 NOCCCS MCULE-3464018652 [0,0,1,0,0,0|2,0,0]=3 1214 B5R0.2 O=C=NCCBr MCULE-9707894644 [0,0,1,0,0,0|2,0,1]=4 1215 B5R0.2 O=C=NCCCl MCULE-8919918461 [0,0,1,0,0,0|2,0,1]=4 1216 B5R0.2 O=CCCCBr MCULE-7239613396 [0,0,1,0,0,0|3,0,0]=4 1217 B5R0.2 O=CCCCCl MCULE-3011225716 [0,0,1,0,0,0|3,0,0]=4 1218 B5R0.2 O=CCCCI MCULE-3153720790 [0,0,1,0,0,0|3,0,0]=4 1219 B5R0.2 O=CCCCO MCULE-8728420992 [0,0,1,0,0,0|2,1,0]=4 1220 B5R0.2 O=CNCCO MCULE-3688614090 [0,0,1,0,0,0|1,1,1]=4 1221 B5R0.2 O=COCCO MCULE-1922672843 [0,0,1,0,0,0|2,1,0]=4 1222 B5R0.2 OC=CCCBr MCULE-3964604828 [0,0,1,0,0,0|3,0,0]=4 1223 B5R0.2 OC=CCCBr MCULE-5728835735 [0,0,1,0,0,0|3,0,0]=4 1224 B5R0.2 OCCCCS MCULE-8169490949 [0,0,1,0,0,0|2,0,1]=4 1225 B5R0.2 S=C=NCCBr MCULE-9583896675 [0,0,1,0,0,0|2,0,1]=4 1226 B5R0.2 S=C=NCCCl MCULE-3919932972 [0,0,1,0,0,0|2,0,1]=4 1227 B5R0.2 SCCCCS MCULE-6695609899 [0,0,1,0,0,0|2,0,1]=4 1228 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [0,0,1,0,0,0|3,0,0]=4 1229 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [0,0,1,0,0,0|3,0,0]=4 1230 B5R0.3 C/N=C(\N)/SC MCULE-1114021101 [0,0,1,0,0,0|0,0,0]=1 1231 B5R0.3 C/N=C(\N)/SC MCULE-4249574209 [0,0,1,0,0,0|0,0,0]=1 1232 B5R0.3 C=C(CC)CC MCULE-9174509622 [0,0,1,0,0,0|3,0,0]=4 1233 B5R0.3 C=C(SC)SC MCULE-8497326619 [0,0,1,0,0,0|2,0,0]=3 1234 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,0,1,0,0,0|3,0,0]=4 1235 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,0,1,0,0,0|2,0,0]=3 1236 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,0,1,0,0,0|2,0,0]=3 1237 B5R0.3 CC=C(C)CC MCULE-5790494157 [0,0,1,0,0,0|3,0,0]=4 1238 B5R0.3 CCC(=N)OC MCULE-4123543795 [0,0,1,0,0,0|1,1,1]=4 1239 B5R0.3 CCC(=N)OC MCULE-5346320805 [0,0,1,0,0,0|1,1,1]=4 1240 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,0,1,0,0,0|3,0,0]=4 1241 B5R0.3 CCC(=O)CC MCULE-8236549739 [0,0,1,0,0,0|3,0,0]=4 1242 B5R0.3 CCC(=O)NC MCULE-5612060170 [0,0,1,0,0,0|2,0,1]=4 1243 B5R0.3 CCC(=O)OC MCULE-7384824725 [0,0,1,0,0,0|2,1,0]=4 1244 B5R0.3 CCC(=O)SC MCULE-9712192191 [0,0,1,0,0,0|2,0,0]=3 1245 B5R0.3 CCC(N)CC MCULE-4261937519 [0,0,1,0,0,0|2,0,1]=4 1246 B5R0.3 CCC(N)CC MCULE-5899128891 [0,0,1,0,0,0|2,0,1]=4 1247 B5R0.3 CCN(N)CC MCULE-9853386945 [0,0,1,0,0,0|3,0,0]=4 1248 B5R0.3 CCN(N)CC MCULE-9962617398 [0,0,1,0,0,0|3,0,0]=4 1249 B5R0.3 CNC(=N)NC MCULE-7703075263 [0,0,1,0,0,0|1,0,2]=4 1250 B5R0.3 CNC(=O)NC MCULE-5319497155 [0,0,1,0,0,0|2,0,1]=4 1251 B5R0.3 CNC(=O)OC MCULE-1162861376 [0,0,1,0,0,0|1,1,1]=4 1252 B5R0.3 CNC(=S)NC MCULE-7998520647 [0,0,1,0,0,0|2,0,1]=4 1253 B5R0.3 COC(=O)OC MCULE-7488725621 [0,0,1,0,0,0|2,1,0]=4 1254 B5R0.3 COC(=O)SCl MCULE-1018411491 [0,0,1,0,0,0|3,0,0]=4 1255 B5R0.3 COC(=S)SC MCULE-7665194168 [0,0,1,0,0,0|2,0,0]=3 1256 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [0,0,1,0,0,0|2,0,0]=3 1257 B5R0.3 CS/C(=N\N)/N MCULE-2245524081 [0,0,1,0,0,0|1,0,0]=2 1258 B5R0.3 CS/C(=N\N)/N MCULE-6241847719 [0,0,1,0,0,0|1,0,0]=2 1259 B5R0.3 CSC(=NO)C MCULE-1500524467 [0,0,1,0,0,0|2,0,0]=3 1260 B5R0.3 CSC(=O)SC MCULE-7167992573 [0,0,1,0,0,0|2,0,0]=3 1261 B5R0.3 CSC(=S)NN MCULE-2798461411 [0,0,1,0,0,0|2,0,1]=4 1262 B5R0.3 CSC(=S)SC MCULE-5023087703 [0,0,1,0,0,0|2,0,0]=3 1263 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [0,0,1,0,0,0|3,0,0]=4 1264 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [0,0,1,0,0,0|3,0,0]=4 1265 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [0,0,1,0,0,0|3,0,0]=4 1266 B7R2.11 C1CC2CC1N2 MCULE-6529016485 [0,0,0,1,0,0|2,0,1]=4 1267 B7R2.11 C1CC2CC1N2 MCULE-7997985442 [0,0,0,1,0,0|2,0,1]=4 1268 B7R2.13 C1CC2NC2C1 MCULE-4807869634 [0,0,0,1,0,0|2,0,1]=4 1269 B5R1.2 BrC1=CCC1 MCULE-7839710306 [0,0,0,0,1,0|2,0,0]=3 1270 B5R1.2 BrC1CCC1 MCULE-3713567804 [0,0,0,0,1,0|2,0,1]=4 1271 B5R1.2 C=C1CCC1 MCULE-8318650413 [0,0,0,0,1,0|2,0,0]=3 1272 B5R1.2 C=C1CNC1 MCULE-1391021267 [0,0,0,0,1,0|3,0,0]=4 1273 B5R1.2 C=C1CNC1 MCULE-7957953185 [0,0,0,0,1,0|3,0,0]=4 1274 B5R1.2 C=C1COC1 MCULE-1822645869 [0,0,0,0,1,0|3,0,0]=4 1275 B5R1.2 CC1CCN1 MCULE-7952714343 [0,0,0,0,1,0|1,0,2]=4 1276 B5R1.2 CC1CCN1 MCULE-9084374728 [0,0,0,0,1,0|1,0,2]=4 1277 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [0,0,0,0,1,0|1,0,2]=4 1278 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [0,0,0,0,1,0|1,0,2]=4 1279 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [0,0,0,0,1,0|1,0,2]=4 1280 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [0,0,0,0,1,0|1,0,2]=4 1281 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [0,0,0,0,1,0|1,0,2]=4 1282 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [0,0,0,0,1,0|1,0,2]=4 1283 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [0,0,0,0,1,0|1,0,2]=4 1284 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [0,0,0,0,1,0|1,0,2]=4 1285 B5R1.2 ClC1CCC1 MCULE-2602937313 [0,0,0,0,1,0|2,0,1]=4 1286 B5R1.2 IC1CCC1 MCULE-3890796264 [0,0,0,0,1,0|2,0,1]=4 1287 B5R1.2 NC1CCC1 MCULE-7511834789 [0,0,0,0,1,0|1,0,1]=3 1288 B5R1.2 NC1CCC1 MCULE-9118406840 [0,0,0,0,1,0|1,0,1]=3 1289 B5R1.2 NC1CNC1 MCULE-3069271350 [0,0,0,0,1,0|2,0,1]=4 1290 B5R1.2 NC1CNC1 MCULE-4785323807 [0,0,0,0,1,0|2,0,1]=4 1291 B5R1.2 NC1COC1 MCULE-3457998413 [0,0,0,0,1,0|2,0,1]=4 1292 B5R1.2 NC1COC1 MCULE-8439862131 [0,0,0,0,1,0|2,0,1]=4 1293 B5R1.2 NC1CSC1 MCULE-8155396913 [0,0,0,0,1,0|2,0,1]=4 1294 B5R1.2 NC1CSC1 MCULE-8463545676 [0,0,0,0,1,0|2,0,1]=4 1295 B5R1.2 NC1CSC1 MCULE-8920812656 [0,0,0,0,1,0|2,0,1]=4 1296 B5R1.2 NN1CCC1 MCULE-8176731673 [0,0,0,0,1,0|2,0,0]=3 1297 B5R1.2 NN1CCC1 MCULE-8382619719 [0,0,0,0,1,0|2,0,0]=3 1298 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,0,0,0,1,0|2,0,0]=3 1299 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,0,0,0,1,0|1,0,1]=3 1300 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,0,0,0,1,0|1,1,0]=3 1301 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,0,0,0,1,0|3,0,0]=4 1302 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,0,0,0,1,0|3,0,0]=4 1303 B5R1.2 O=C1COC1 MCULE-6847248632 [0,0,0,0,1,0|3,0,0]=4 1304 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,0,0,0,1,0|3,0,0]=4 1305 B5R1.2 OC1CCC1 MCULE-2856311430 [0,0,0,0,1,0|2,0,1]=4 1306 B5R1.2 SC1CCC1 MCULE-1779239394 [0,0,0,0,1,0|2,0,1]=4 1307 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [0,0,0,0,0,1|3,0,0]=4 1308 B7R1.3 BrC1=CCCNC1 MCULE-1016336040 [0,0,0,0,0,1|2,0,1]=4 1309 B7R1.3 BrC1=CCCNC1 MCULE-9845052592 [0,0,0,0,0,1|2,0,1]=4 1310 B7R1.3 BrC1=CCOCC1 MCULE-7609274912 [0,0,0,0,0,1|3,0,0]=4 1311 B7R1.3 BrC1=CCSCC1 MCULE-6964400494 [0,0,0,0,0,1|3,0,0]=4 1312 B7R1.3 BrC1=CNCC=N1 MCULE-8663509765 [0,0,0,0,0,1|2,0,1]=4 1313 B7R1.3 BrC1=COCCC1 MCULE-7754503978 [0,0,0,0,0,1|2,1,0]=4 1314 B7R1.3 C1(CCCNC1)N MCULE-2184623611 [0,0,0,0,0,1|1,0,2]=4 1315 B7R1.3 C1(CCCNC1)N MCULE-6177601832 [0,0,0,0,0,1|1,0,2]=4 1316 B7R1.3 C1(CCCOC1)N MCULE-7160456966 [0,0,0,0,0,1|1,1,1]=4 1317 B7R1.3 C1(CCCOC1)N MCULE-9418657332 [0,0,0,0,0,1|1,1,1]=4 1318 B7R1.3 C=C1CCCCC1 MCULE-9812236661 [0,0,0,0,0,1|3,0,0]=4 1319 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [0,0,0,0,0,1|2,0,1]=4 1320 B7R1.3 C=C1CCCNC1 MCULE-2588575300 [0,0,0,0,0,1|2,0,1]=4 1321 B7R1.3 C=C1CCCNC1 MCULE-9758065019 [0,0,0,0,0,1|2,0,1]=4 1322 B7R1.3 C=C1CCCOC1 MCULE-5236529273 [0,0,0,0,0,1|2,1,0]=4 1323 B7R1.3 C=C1CCNCC1 MCULE-4460895436 [0,0,0,0,0,1|3,0,0]=4 1324 B7R1.3 C=C1CCNCC1 MCULE-6605411269 [0,0,0,0,0,1|3,0,0]=4 1325 B7R1.3 C=C1CCNCC1 MCULE-6729798105 [0,0,0,0,0,1|3,0,0]=4 1326 B7R1.3 C=C1CCOCC1 MCULE-2744722311 [0,0,0,0,0,1|3,0,0]=4 1327 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [0,0,0,0,0,1|3,0,0]=4 1328 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [0,0,0,0,0,1|3,0,0]=4 1329 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [0,0,0,0,0,1|2,0,1]=4 1330 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [0,0,0,0,0,1|2,0,1]=4 1331 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [0,0,0,0,0,1|3,0,0]=4 1332 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [0,0,0,0,0,1|3,0,0]=4 1333 B7R1.3 CC1=NCCNC1 MCULE-2066788449 [0,0,0,0,0,1|2,0,0]=3 1334 B7R1.3 CC1CNCCS1 MCULE-7391261862 [0,0,0,0,0,1|1,0,2]=4 1335 B7R1.3 CC1CSCCN1 MCULE-2923436126 [0,0,0,0,0,1|1,0,2]=4 1336 B7R1.3 CC1SCCCS1 MCULE-8431698431 [0,0,0,0,0,1|2,0,1]=4 1337 B7R1.3 C[C@@H]1CSCCN1 MCULE-2613889704 [0,0,0,0,0,1|1,0,2]=4 1338 B7R1.3 C[C@H]1CSCCN1 MCULE-4076273874 [0,0,0,0,0,1|1,0,2]=4 1339 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [0,0,0,0,0,1|3,0,0]=4 1340 B7R1.3 ClC1=CCCNC1 MCULE-2132976242 [0,0,0,0,0,1|2,0,1]=4 1341 B7R1.3 ClC1=CCCNC1 MCULE-9013141821 [0,0,0,0,0,1|2,0,1]=4 1342 B7R1.3 FC1=CCCNC1 MCULE-5131057553 [0,0,0,0,0,1|2,0,1]=4 1343 B7R1.3 FC1=CCCNC1 MCULE-8459145085 [0,0,0,0,0,1|2,0,1]=4 1344 B7R1.3 FC1=CCNCC1 MCULE-5573410633 [0,0,0,0,0,1|3,0,0]=4 1345 B7R1.3 FC1=CCNCC1 MCULE-9755070929 [0,0,0,0,0,1|3,0,0]=4 1346 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [0,0,0,0,0,1|0,1,2]=4 1347 B7R1.3 N=C1NCCCS1 MCULE-5425383221 [0,0,0,0,0,1|0,0,2]=3 1348 B7R1.3 NC1=CC=CC=N1 MCULE-9156610735 [0,0,0,0,0,1|1,0,2]=4 1349 B7R1.3 NC1=CC=CC=N1 MCULE-9468698491 [0,0,0,0,0,1|1,0,2]=4 1350 B7R1.3 NC1=CC=CN=N1 MCULE-8492925273 [0,0,0,0,0,1|1,0,2]=4 1351 B7R1.3 NC1=CC=NC=N1 MCULE-8743879642 [0,0,0,0,0,1|1,0,2]=4 1352 B7R1.3 NC1=CC=NN=C1 MCULE-9705692486 [0,0,0,0,0,1|2,0,1]=4 1353 B7R1.3 NC1=CN=CC=C1 MCULE-8277888288 [0,0,0,0,0,1|1,0,2]=4 1354 B7R1.3 NC1=CN=CN=C1 MCULE-1163796720 [0,0,0,0,0,1|2,0,1]=4 1355 B7R1.3 NC1=CN=NC=C1 MCULE-2656148598 [0,0,0,0,0,1|2,0,1]=4 1356 B7R1.3 NC1=NC=CC=N1 MCULE-4785409568 [0,0,0,0,0,1|1,0,2]=4 1357 B7R1.3 NC1=NC=CN=C1 MCULE-3684429742 [0,0,0,0,0,1|1,0,2]=4 1358 B7R1.3 NC1=NC=CN=N1 MCULE-4381302094 [0,0,0,0,0,1|1,0,2]=4 1359 B7R1.3 NC1=NC=NC=C1 MCULE-7841058110 [0,0,0,0,0,1|1,0,2]=4 1360 B7R1.3 NC1=NC=NC=N1 MCULE-3432928260 [0,0,0,0,0,1|1,0,2]=4 1361 B7R1.3 NC1=NC=NN=C1 MCULE-9368527492 [0,0,0,0,0,1|2,0,1]=4 1362 B7R1.3 NC1=NCCCC1 MCULE-1020722938 [0,0,0,0,0,1|1,0,0]=2 1363 B7R1.3 NC1=NCCCC1 MCULE-9735306041 [0,0,0,0,0,1|1,0,0]=2 1364 B7R1.3 NC1=NCCCN1 MCULE-1407334516 [0,0,0,0,0,1|1,0,0]=2 1365 B7R1.3 NC1=NCCCN1 MCULE-1674112662 [0,0,0,0,0,1|1,0,0]=2 1366 B7R1.3 NC1=NCCCO1 MCULE-1909217779 [0,0,0,0,0,1|0,1,0]=2 1367 B7R1.3 NC1=NCCCS1 MCULE-2157831645 [0,0,0,0,0,1|0,0,0]=1 1368 B7R1.3 NC1=NCCCS1 MCULE-7522126566 [0,0,0,0,0,1|0,0,0]=1 1369 B7R1.3 NC1=NCCSC1 MCULE-4272591822 [0,0,0,0,0,1|0,0,0]=1 1370 B7R1.3 NC1=NN=CC=C1 MCULE-8558833820 [0,0,0,0,0,1|1,0,2]=4 1371 B7R1.3 NC1=NN=CN=N1 MCULE-8710308983 [0,0,0,0,0,1|2,0,1]=4 1372 B7R1.3 NC1C=CCCC1 MCULE-4482857573 [0,0,0,0,0,1|2,0,1]=4 1373 B7R1.3 NC1C=CCCC1 MCULE-5378769676 [0,0,0,0,0,1|2,0,1]=4 1374 B7R1.3 NC1CCCCC1 MCULE-1274688385 [0,0,0,0,0,1|2,0,1]=4 1375 B7R1.3 NC1CCCCC1 MCULE-6218418825 [0,0,0,0,0,1|2,0,1]=4 1376 B7R1.3 NC1CCCCC1 MCULE-7654331405 [0,0,0,0,0,1|2,0,1]=4 1377 B7R1.3 NC1CCCCC1 MCULE-9211684304 [0,0,0,0,0,1|2,0,1]=4 1378 B7R1.3 NC1CCCCN1 MCULE-8429969520 [0,0,0,0,0,1|1,0,2]=4 1379 B7R1.3 NC1CCCNC1 MCULE-2846077424 [0,0,0,0,0,1|1,0,2]=4 1380 B7R1.3 NC1CCCNC1 MCULE-6762552983 [0,0,0,0,0,1|1,0,2]=4 1381 B7R1.3 NC1CCCNC1 MCULE-8978449052 [0,0,0,0,0,1|1,0,2]=4 1382 B7R1.3 NC1CCCOC1 MCULE-3002610862 [0,0,0,0,0,1|1,1,1]=4 1383 B7R1.3 NC1CCCOC1 MCULE-8678558313 [0,0,0,0,0,1|1,1,1]=4 1384 B7R1.3 NC1CCCSC1 MCULE-5361360271 [0,0,0,0,0,1|1,0,1]=3 1385 B7R1.3 NC1CCCSC1 MCULE-5652416535 [0,0,0,0,0,1|1,0,1]=3 1386 B7R1.3 NC1CCNCC1 MCULE-4122223472 [0,0,0,0,0,1|2,0,1]=4 1387 B7R1.3 NC1CCNCC1 MCULE-4894618503 [0,0,0,0,0,1|2,0,1]=4 1388 B7R1.3 NC1CCOCC1 MCULE-4830730893 [0,0,0,0,0,1|2,0,1]=4 1389 B7R1.3 NC1CCOCC1 MCULE-6229850202 [0,0,0,0,0,1|2,0,1]=4 1390 B7R1.3 NC1CCOCC1 MCULE-7619874469 [0,0,0,0,0,1|2,0,1]=4 1391 B7R1.3 NC1CCSCC1 MCULE-1077822824 [0,0,0,0,0,1|2,0,1]=4 1392 B7R1.3 NC1CCSCC1 MCULE-7148332202 [0,0,0,0,0,1|2,0,1]=4 1393 B7R1.3 NN1CCCCC1 MCULE-2078041523 [0,0,0,0,0,1|3,0,0]=4 1394 B7R1.3 NN1CCCCC1 MCULE-3853977450 [0,0,0,0,0,1|3,0,0]=4 1395 B7R1.3 NN1CCNCC1 MCULE-4047900576 [0,0,0,0,0,1|3,0,0]=4 1396 B7R1.3 NN1CCNCC1 MCULE-5083416150 [0,0,0,0,0,1|3,0,0]=4 1397 B7R1.3 NN1CCNCC1 MCULE-7309844454 [0,0,0,0,0,1|3,0,0]=4 1398 B7R1.3 NN1CCOCC1 MCULE-8277539965 [0,0,0,0,0,1|3,0,0]=4 1399 B7R1.3 NN1CCSCC1 MCULE-9712464832 [0,0,0,0,0,1|3,0,0]=4 1400 B7R1.3 N[C@@H]1CCCNC1 MCULE-1539406556 [0,0,0,0,0,1|1,0,2]=4 1401 B7R1.3 N[C@@H]1CCCNC1 MCULE-3403472114 [0,0,0,0,0,1|1,0,2]=4 1402 B7R1.3 N[C@@H]1CCCNC1 MCULE-6313396868 [0,0,0,0,0,1|1,0,2]=4 1403 B7R1.3 N[C@@H]1CCCNC1 MCULE-8281902784 [0,0,0,0,0,1|1,0,2]=4 1404 B7R1.3 N[C@@H]1CCCOC1 MCULE-3329999118 [0,0,0,0,0,1|1,1,1]=4 1405 B7R1.3 N[C@@H]1CCCOC1 MCULE-5434456311 [0,0,0,0,0,1|1,1,1]=4 1406 B7R1.3 N[C@@H]1CCCOC1 MCULE-8416525332 [0,0,0,0,0,1|1,1,1]=4 1407 B7R1.3 N[C@@H]1CCCOC1 MCULE-9941756618 [0,0,0,0,0,1|1,1,1]=4 1408 B7R1.3 N[C@H]1CCCNC1 MCULE-1133561466 [0,0,0,0,0,1|1,0,2]=4 1409 B7R1.3 N[C@H]1CCCNC1 MCULE-3601314617 [0,0,0,0,0,1|1,0,2]=4 1410 B7R1.3 N[C@H]1CCCNC1 MCULE-4741120465 [0,0,0,0,0,1|1,0,2]=4 1411 B7R1.3 N[C@H]1CCCNC1 MCULE-5291619589 [0,0,0,0,0,1|1,0,2]=4 1412 B7R1.3 N[C@H]1CCCNC1 MCULE-8831721515 [0,0,0,0,0,1|1,0,2]=4 1413 B7R1.3 N[C@H]1CCCOC1 MCULE-1619050625 [0,0,0,0,0,1|1,1,1]=4 1414 B7R1.3 N[C@H]1CCCOC1 MCULE-4275969826 [0,0,0,0,0,1|1,1,1]=4 1415 B7R1.3 N[C@H]1CCCOC1 MCULE-4421099383 [0,0,0,0,0,1|1,1,1]=4 1416 B7R1.3 N[C@H]1CCCOC1 MCULE-9281030983 [0,0,0,0,0,1|1,1,1]=4 1417 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,0,0,0,0,1|3,0,0]=4 1418 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [0,0,0,0,0,1|2,0,1]=4 1419 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,0,0,0,0,1|2,1,0]=4 1420 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [0,0,0,0,0,1|3,0,0]=4 1421 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [0,0,0,0,0,1|2,0,1]=4 1422 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,0,0,0,0,1|2,1,0]=4 1423 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [0,0,0,0,0,1|2,0,0]=3 1424 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [0,0,0,0,0,1|2,0,1]=4 1425 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [0,0,0,0,0,1|2,0,1]=4 1426 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,0,0,0,0,1|2,1,0]=4 1427 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [0,0,0,0,0,1|2,0,0]=3 1428 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [0,0,0,0,0,1|3,0,0]=4 1429 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [0,0,0,0,0,1|3,0,0]=4 1430 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [0,0,0,0,0,1|2,0,1]=4 1431 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [0,0,0,0,0,1|3,0,0]=4 1432 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [0,0,0,0,0,1|3,0,0]=4 1433 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [0,0,0,0,0,1|2,0,1]=4 1434 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,0,0,0,0,1|1,1,1]=4 1435 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,0,0,0,0,1|1,1,1]=4 1436 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,0,0,0,0,1|1,1,1]=4 1437 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,0,0,0,0,1|2,1,0]=4 1438 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [0,0,0,0,0,1|1,0,1]=3 1439 B7R1.3 O=C1CSCSC1 MCULE-8034252746 [0,0,0,0,0,1|3,0,0]=4 1440 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [0,0,0,0,0,1|2,0,1]=4 1441 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,0,0,0,0,1|1,1,1]=4 1442 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,0,0,0,0,1|1,1,1]=4 1443 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,0,0,0,0,1|2,1,0]=4 1444 B7R1.3 O=S1CCCSC1 MCULE-5552019770 [0,0,0,0,0,1|3,0,0]=4 1445 B7R1.3 OC1=CN=NCC1 MCULE-3904781537 [0,0,0,0,0,1|3,0,0]=4 1446 B7R1.3 OC1CCCSC1 MCULE-1448781710 [0,0,0,0,0,1|2,0,1]=4 1447 B7R1.3 S=C1CCCCC1 MCULE-6072375043 [0,0,0,0,0,1|3,0,0]=4 1448 B7R1.3 S=C1CCCCN1 MCULE-2004608075 [0,0,0,0,0,1|2,0,1]=4 1449 B7R1.3 S=C1COCCN1 MCULE-1743172522 [0,0,0,0,0,1|1,1,1]=4 1450 B7R1.3 S=C1NCCCN1 MCULE-6601711997 [0,0,0,0,0,1|2,0,1]=4 1451 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [0,0,0,0,0,1|1,1,1]=4 1452 B7R1.3 S=C1NCCCS1 MCULE-8898215455 [0,0,0,0,0,1|1,0,1]=3 1453 B7R1.3 S=C1NCNCN1 MCULE-8557857293 [0,0,0,0,0,1|2,0,1]=4 1454 B7R1.3 SC1NCCCS1 MCULE-3586134698 [0,0,0,0,0,1|1,0,2]=4 1455 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [1,0,1,0,0,0|1,0,0]=3 1456 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [1,0,1,0,0,0|1,0,0]=3 1457 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,0,1,0,0,0|2,0,0]=4 1458 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,0,1,0,0,0|2,0,0]=4 1459 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,0,1,0,0,0|2,0,0]=4 1460 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,0,1,0,0,0|2,0,0]=4 1461 B4R0.1 C=C(C)OC MCULE-7344104255 [1,0,1,0,0,0|1,1,0]=4 1462 B4R0.1 CC(=NN)C MCULE-8828852790 [1,0,1,0,0,0|2,0,0]=4 1463 B4R0.1 CC(=NO)C MCULE-3243100216 [1,0,1,0,0,0|2,0,0]=4 1464 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,0,1,0,0,0|2,0,0]=4 1465 B4R0.1 CC=C(C)C MCULE-4230157245 [1,0,1,0,0,0|2,0,0]=4 1466 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,0,1,0,0,0|2,0,0]=4 1467 B4R0.1 CCC(=N)N MCULE-1856575742 [1,0,1,0,0,0|0,0,0]=2 1468 B4R0.1 CCC(=N)N MCULE-2534386807 [1,0,1,0,0,0|0,0,0]=2 1469 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,1,0,0,0|1,1,0]=4 1470 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,1,0,0,0|1,1,0]=4 1471 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,1,0,0,0|1,1,0]=4 1472 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,1,0,0,0|1,1,0]=4 1473 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,1,0,0,0|0,1,0]=3 1474 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,1,0,0,0|1,1,0]=4 1475 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,1,0,0,0|1,1,0]=4 1476 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,1,0,0,0|1,0,0]=3 1477 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,1,0,0,0|1,1,0]=4 1478 B4R0.1 CCC(=S)N MCULE-3921479699 [1,0,1,0,0,0|0,0,1]=3 1479 B4R0.1 CCC(C)N MCULE-5041676035 [1,0,1,0,0,0|1,0,1]=4 1480 B4R0.1 CCC(C)N MCULE-5835091553 [1,0,1,0,0,0|1,0,1]=4 1481 B4R0.1 CCC(C)N MCULE-6631606230 [1,0,1,0,0,0|1,0,1]=4 1482 B4R0.1 CCC(C)N MCULE-8165681721 [1,0,1,0,0,0|1,0,1]=4 1483 B4R0.1 CCC(C)S MCULE-4988033753 [1,0,1,0,0,0|1,0,1]=4 1484 B4R0.1 CCN(C)N MCULE-2279492356 [1,0,1,0,0,0|2,0,0]=4 1485 B4R0.1 CCN(C)N MCULE-5660338703 [1,0,1,0,0,0|2,0,0]=4 1486 B4R0.1 CCN(C)N MCULE-9839987578 [1,0,1,0,0,0|2,0,0]=4 1487 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [1,0,1,0,0,0|1,0,1]=4 1488 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [1,0,1,0,0,0|1,0,1]=4 1489 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [1,0,1,0,0,0|1,0,1]=4 1490 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [1,0,1,0,0,0|1,0,1]=4 1491 B4R0.1 CC[C@H](C)N MCULE-2450201533 [1,0,1,0,0,0|1,0,1]=4 1492 B4R0.1 CC[C@H](C)N MCULE-2998961427 [1,0,1,0,0,0|1,0,1]=4 1493 B4R0.1 CC[C@H](C)N MCULE-6692190471 [1,0,1,0,0,0|1,0,1]=4 1494 B4R0.1 CC[C@H](C)N MCULE-6904795465 [1,0,1,0,0,0|1,0,1]=4 1495 B4R0.1 CNC(=N)N MCULE-1074994749 [1,0,1,0,0,0|1,0,0]=3 1496 B4R0.1 CNC(=N)N MCULE-6149731862 [1,0,1,0,0,0|1,0,0]=3 1497 B4R0.1 CNC(=N)N MCULE-7667364021 [1,0,1,0,0,0|1,0,0]=3 1498 B4R0.1 CNC(=N)N MCULE-7854448694 [1,0,1,0,0,0|1,0,0]=3 1499 B4R0.1 CNC(=O)C MCULE-2612997941 [1,0,1,0,0,0|1,0,1]=4 1500 B4R0.1 CNC(=O)N MCULE-6422331704 [1,0,1,0,0,0|0,1,1]=4 1501 B4R0.1 CNC(=S)C MCULE-8699171591 [1,0,1,0,0,0|1,0,1]=4 1502 B4R0.1 CNC(=S)N MCULE-7103250725 [1,0,1,0,0,0|0,0,2]=4 1503 B4R0.1 COC(=N)C MCULE-2752794913 [1,0,1,0,0,0|0,1,1]=4 1504 B4R0.1 COC(=N)C MCULE-2904991083 [1,0,1,0,0,0|0,1,1]=4 1505 B4R0.1 COC(=N)N MCULE-1611076737 [1,0,1,0,0,0|0,1,0]=3 1506 B4R0.1 COC(=N)N MCULE-4923904579 [1,0,1,0,0,0|0,1,0]=3 1507 B4R0.1 COC(=N)N MCULE-6696789855 [1,0,1,0,0,0|0,1,0]=3 1508 B4R0.1 COC(=N)N MCULE-9171600210 [1,0,1,0,0,0|0,1,0]=3 1509 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,1,0,0,0|1,1,0]=4 1510 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,1,0,0,0|1,1,0]=4 1511 B4R0.1 COC(=S)N MCULE-9414558443 [1,0,1,0,0,0|1,0,1]=4 1512 B4R0.1 CSC(=N)N MCULE-1471368384 [1,0,1,0,0,0|0,0,0]=2 1513 B4R0.1 CSC(=N)N MCULE-3394284504 [1,0,1,0,0,0|0,0,0]=2 1514 B4R0.1 CSC(=N)N MCULE-3752198299 [1,0,1,0,0,0|0,0,0]=2 1515 B4R0.1 CSC(=N)N MCULE-5672446896 [1,0,1,0,0,0|0,0,0]=2 1516 B4R0.1 CSC(=N)N MCULE-8409992127 [1,0,1,0,0,0|0,0,0]=2 1517 B4R0.1 CSC(=O)C MCULE-7061634598 [1,0,1,0,0,0|1,0,0]=3 1518 B4R0.1 CSC(=S)C MCULE-4836153374 [1,0,1,0,0,0|1,0,0]=3 1519 B4R0.1 CSC(C)C MCULE-5932565699 [1,0,1,0,0,0|1,0,1]=4 1520 B4R0.1 CSS(=O)C MCULE-6515592458 [1,0,1,0,0,0|2,0,0]=4 1521 B4R0.1 CS[S+](C)C MCULE-1869043585 [1,0,1,0,0,0|2,0,0]=4 1522 B4R0.1 CS[S+](C)C MCULE-4164877790 [1,0,1,0,0,0|2,0,0]=4 1523 B4R0.1 N=C(N)CCl MCULE-1495198330 [1,0,1,0,0,0|1,0,0]=3 1524 B4R0.1 N=C(N)CCl MCULE-2087468158 [1,0,1,0,0,0|1,0,0]=3 1525 B4R0.1 N=C(N)CF MCULE-4489534021 [1,0,1,0,0,0|1,0,0]=3 1526 B4R0.1 N=C(N)CF MCULE-8858704396 [1,0,1,0,0,0|1,0,0]=3 1527 B4R0.1 N=C(N)CN MCULE-2761790792 [1,0,1,0,0,0|1,0,0]=3 1528 B4R0.1 N=C(N)CN MCULE-5131841850 [1,0,1,0,0,0|1,0,0]=3 1529 B4R0.1 N=C(N)CN MCULE-6618111844 [1,0,1,0,0,0|1,0,0]=3 1530 B4R0.1 N=C(N)CO MCULE-5146395919 [1,0,1,0,0,0|1,0,0]=3 1531 B4R0.1 N=C(N)CO MCULE-8814507460 [1,0,1,0,0,0|1,0,0]=3 1532 B4R0.1 N=C(N)NN MCULE-1109353559 [1,0,1,0,0,0|2,0,0]=4 1533 B4R0.1 N=C(N)NN MCULE-3637328913 [1,0,1,0,0,0|2,0,0]=4 1534 B4R0.1 N=C(N)NN MCULE-4551185793 [1,0,1,0,0,0|2,0,0]=4 1535 B4R0.1 N=C(N)NN MCULE-8251830457 [1,0,1,0,0,0|2,0,0]=4 1536 B4R0.1 N=C(N)NO MCULE-2554837832 [1,0,1,0,0,0|2,0,0]=4 1537 B4R0.1 N=C(N)NO MCULE-5458374815 [1,0,1,0,0,0|2,0,0]=4 1538 B4R0.1 N=C(N)NO MCULE-5913043834 [1,0,1,0,0,0|2,0,0]=4 1539 B4R0.1 NC(=NO)N MCULE-7650923271 [1,0,1,0,0,0|2,0,0]=4 1540 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,1,0,0,0|1,1,0]=4 1541 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,1,0,0,0|1,1,0]=4 1542 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,1,0,0,0|1,1,0]=4 1543 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,1,0,0,0|1,1,0]=4 1544 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,1,0,0,0|1,1,0]=4 1545 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,1,0,0,0|1,1,0]=4 1546 B4R0.1 NC(=S)CF MCULE-7873791134 [1,0,1,0,0,0|1,0,1]=4 1547 B4R0.1 NC(=S)CO MCULE-9301705313 [1,0,1,0,0,0|1,0,1]=4 1548 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,1,0,0,0|1,1,0]=4 1549 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,1,0,0,0|1,1,0]=4 1550 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,1,0,0,0|1,1,0]=4 1551 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,1,0,0,0|2,0,0]=4 1552 B4R0.1 NN=C(N)N MCULE-4671721847 [1,0,1,0,0,0|2,0,0]=4 1553 B4R0.1 [NH3+]NC(=N)N MCULE-6971198355 [1,0,1,0,0,0|2,0,0]=4 1554 B4R0.2 C/C=C/OC MCULE-3906920304 [1,0,1,0,0,0|1,1,0]=4 1555 B4R0.2 C=CCCBr MCULE-2890129103 [1,0,1,0,0,0|2,0,0]=4 1556 B4R0.2 C=CCCC MCULE-8386546337 [1,0,1,0,0,0|2,0,0]=4 1557 B4R0.2 C=CCCCl MCULE-5903789900 [1,0,1,0,0,0|2,0,0]=4 1558 B4R0.2 C=CCCI MCULE-1055671394 [1,0,1,0,0,0|2,0,0]=4 1559 B4R0.2 C=CCCN MCULE-2471716627 [1,0,1,0,0,0|1,0,1]=4 1560 B4R0.2 C=CCCN MCULE-2881108697 [1,0,1,0,0,0|1,0,1]=4 1561 B4R0.2 C=CCCO MCULE-4582400839 [1,0,1,0,0,0|1,1,0]=4 1562 B4R0.2 C=COCC MCULE-2569047033 [1,0,1,0,0,0|1,1,0]=4 1563 B4R0.2 C=CSCC MCULE-8927374165 [1,0,1,0,0,0|1,0,0]=3 1564 B4R0.2 C=NCC#N MCULE-3686954074 [1,0,1,0,0,0|1,0,1]=4 1565 B4R0.2 CC=CCC MCULE-5931905453 [1,0,1,0,0,0|2,0,0]=4 1566 B4R0.2 CC=COC MCULE-6712403535 [1,0,1,0,0,0|1,1,0]=4 1567 B4R0.2 CC=CSC MCULE-5921906156 [1,0,1,0,0,0|1,0,0]=3 1568 B4R0.2 CCC=CBr MCULE-4471551501 [1,0,1,0,0,0|2,0,0]=4 1569 B4R0.2 CCC=NO MCULE-9457280654 [1,0,1,0,0,0|2,0,0]=4 1570 B4R0.2 CCCC=O MCULE-8530391347 [1,0,1,0,0,0|1,1,0]=4 1571 B4R0.2 CCCCN MCULE-1731874934 [1,0,1,0,0,0|1,0,1]=4 1572 B4R0.2 CCCCN MCULE-4233278050 [1,0,1,0,0,0|1,0,1]=4 1573 B4R0.2 CCCCN MCULE-5242069370 [1,0,1,0,0,0|1,0,1]=4 1574 B4R0.2 CCCCN MCULE-7343835253 [1,0,1,0,0,0|1,0,1]=4 1575 B4R0.2 CCCCS MCULE-9441213933 [1,0,1,0,0,0|1,0,1]=4 1576 B4R0.2 CCCNN MCULE-4121438775 [1,0,1,0,0,0|1,0,1]=4 1577 B4R0.2 CCCNN MCULE-5875592228 [1,0,1,0,0,0|1,0,1]=4 1578 B4R0.2 CCCNN MCULE-9585694661 [1,0,1,0,0,0|1,0,1]=4 1579 B4R0.2 CCCON MCULE-4800172637 [1,0,1,0,0,0|1,1,0]=4 1580 B4R0.2 CCCON MCULE-7988781002 [1,0,1,0,0,0|1,1,0]=4 1581 B4R0.2 CCCSC MCULE-8387041737 [1,0,1,0,0,0|1,0,1]=4 1582 B4R0.2 CCN=C=O MCULE-6522145601 [1,0,1,0,0,0|0,1,1]=4 1583 B4R0.2 CCN=C=S MCULE-9838756606 [1,0,1,0,0,0|0,0,2]=4 1584 B4R0.2 CCNC=O MCULE-9309926274 [1,0,1,0,0,0|0,1,1]=4 1585 B4R0.2 CCOC=N MCULE-5321655909 [1,0,1,0,0,0|0,1,0]=3 1586 B4R0.2 CCOC=N MCULE-8158357614 [1,0,1,0,0,0|0,1,0]=3 1587 B4R0.2 CCOC=O MCULE-6245072161 [1,0,1,0,0,0|1,1,0]=4 1588 B4R0.2 CCSC#N MCULE-1270730084 [1,0,1,0,0,0|0,0,2]=4 1589 B4R0.2 CCSCC MCULE-6480710239 [1,0,1,0,0,0|1,0,1]=4 1590 B4R0.2 CCSCCl MCULE-3890542152 [1,0,1,0,0,0|1,0,1]=4 1591 B4R0.2 CCSSC MCULE-9430585714 [1,0,1,0,0,0|2,0,0]=4 1592 B4R0.2 CNCCS MCULE-6430516369 [1,0,1,0,0,0|0,0,2]=4 1593 B4R0.2 COCCS MCULE-7803276094 [1,0,1,0,0,0|1,0,1]=4 1594 B4R0.2 CSCCBr MCULE-1684461541 [1,0,1,0,0,0|1,0,1]=4 1595 B4R0.2 CSCCCl MCULE-8593103756 [1,0,1,0,0,0|1,0,1]=4 1596 B4R0.2 CSCCN MCULE-5168245255 [1,0,1,0,0,0|0,0,2]=4 1597 B4R0.2 CSCCN MCULE-6275285732 [1,0,1,0,0,0|0,0,2]=4 1598 B4R0.2 CSCCO MCULE-9706874325 [1,0,1,0,0,0|1,0,1]=4 1599 B4R0.2 CSCSC MCULE-5603964020 [1,0,1,0,0,0|1,0,1]=4 1600 B4R0.2 CSSSC MCULE-4175573612 [1,0,1,0,0,0|2,0,0]=4 1601 B4R0.2 N#CCCS MCULE-7199964466 [1,0,1,0,0,0|0,0,2]=4 1602 B4R0.2 NCCCBr MCULE-5485748003 [1,0,1,0,0,0|1,0,1]=4 1603 B4R0.2 NCCCBr MCULE-7072709972 [1,0,1,0,0,0|1,0,1]=4 1604 B4R0.2 NCCCCl MCULE-1324157004 [1,0,1,0,0,0|1,0,1]=4 1605 B4R0.2 NCCCCl MCULE-3667248190 [1,0,1,0,0,0|1,0,1]=4 1606 B4R0.2 NCCCF MCULE-5215746973 [1,0,1,0,0,0|1,0,1]=4 1607 B4R0.2 NCCCF MCULE-8077133369 [1,0,1,0,0,0|1,0,1]=4 1608 B4R0.2 NCCCI MCULE-3534892097 [1,0,1,0,0,0|1,0,1]=4 1609 B4R0.2 NCCCI MCULE-8010453546 [1,0,1,0,0,0|1,0,1]=4 1610 B4R0.2 NCCCN MCULE-4293255820 [1,0,1,0,0,0|0,0,2]=4 1611 B4R0.2 NCCCN MCULE-5041378433 [1,0,1,0,0,0|0,0,2]=4 1612 B4R0.2 NCCCN MCULE-6944452060 [1,0,1,0,0,0|0,0,2]=4 1613 B4R0.2 NCCCN MCULE-7375662153 [1,0,1,0,0,0|0,0,2]=4 1614 B4R0.2 NCCCN MCULE-8277465929 [1,0,1,0,0,0|0,0,2]=4 1615 B4R0.2 NCCCN MCULE-9929373126 [1,0,1,0,0,0|0,0,2]=4 1616 B4R0.2 NCCCO MCULE-2851278356 [1,0,1,0,0,0|0,1,1]=4 1617 B4R0.2 NCCCO MCULE-9698089092 [1,0,1,0,0,0|0,1,1]=4 1618 B4R0.2 NCCCS MCULE-3994478020 [1,0,1,0,0,0|0,0,1]=3 1619 B4R0.2 NCCCS MCULE-7730973866 [1,0,1,0,0,0|0,0,1]=3 1620 B4R0.2 NCCON MCULE-3613980902 [1,0,1,0,0,0|0,1,1]=4 1621 B4R0.2 NCCON MCULE-7030217952 [1,0,1,0,0,0|0,1,1]=4 1622 B4R0.2 NCCON MCULE-8959912781 [1,0,1,0,0,0|0,1,1]=4 1623 B4R0.2 NNCCF MCULE-2712460031 [1,0,1,0,0,0|1,0,1]=4 1624 B4R0.2 NNCCF MCULE-8505927457 [1,0,1,0,0,0|1,0,1]=4 1625 B4R0.2 NNCCO MCULE-1290652744 [1,0,1,0,0,0|0,1,1]=4 1626 B4R0.2 NOCCBr MCULE-2796346082 [1,0,1,0,0,0|1,1,0]=4 1627 B4R0.2 NOCCBr MCULE-5636354898 [1,0,1,0,0,0|1,1,0]=4 1628 B4R0.2 NOCCCl MCULE-5981688956 [1,0,1,0,0,0|1,1,0]=4 1629 B4R0.2 NOCCF MCULE-1813481600 [1,0,1,0,0,0|1,1,0]=4 1630 B4R0.2 NOCCF MCULE-2993254805 [1,0,1,0,0,0|1,1,0]=4 1631 B4R0.2 NOCCO MCULE-2545004367 [1,0,1,0,0,0|1,1,0]=4 1632 B4R0.2 O=CCCBr MCULE-4107157458 [1,0,1,0,0,0|2,0,0]=4 1633 B4R0.2 O=CCCCl MCULE-5863929313 [1,0,1,0,0,0|2,0,0]=4 1634 B4R0.2 O=CCCI MCULE-9771140462 [1,0,1,0,0,0|2,0,0]=4 1635 B4R0.2 O=CCCO MCULE-1685289763 [1,0,1,0,0,0|1,1,0]=4 1636 B4R0.2 OCCCS MCULE-7930164048 [1,0,1,0,0,0|1,0,1]=4 1637 B4R0.2 SCCCBr MCULE-4627341228 [1,0,1,0,0,0|1,0,1]=4 1638 B4R0.2 SCCCCl MCULE-6410389127 [1,0,1,0,0,0|1,0,1]=4 1639 B4R0.2 SCCCS MCULE-8220630729 [1,0,1,0,0,0|1,0,1]=4 1640 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,1,1,0,0,0|1,0,0]=3 1641 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,1,1,0,0,0|1,0,0]=3 1642 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,1,1,0,0,0|2,0,0]=4 1643 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,1,1,0,0,0|1,1,0]=4 1644 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,1,1,0,0,0|1,1,0]=4 1645 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,1,1,0,0,0|1,1,0]=4 1646 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,1,1,0,0,0|1,1,0]=4 1647 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,1,1,0,0,0|1,1,0]=4 1648 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,1,1,0,0,0|2,0,0]=4 1649 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,1,1,0,0,0|0,1,1]=4 1650 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,1,1,0,0,0|0,1,1]=4 1651 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,1,1,0,0,0|0,1,1]=4 1652 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,1,1,0,0,0|0,1,1]=4 1653 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,1,1,0,0,0|0,1,1]=4 1654 B6R0.1 CCNC(=S)NN MCULE-9599210899 [0,1,1,0,0,0|0,0,2]=4 1655 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,1,1,0,0,0|1,1,0]=4 1656 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,1,1,0,0,0|1,1,0]=4 1657 B6R0.1 CCOC(=N)CC MCULE-4645506860 [0,1,1,0,0,0|1,1,0]=4 1658 B6R0.1 CCOC(=N)CC MCULE-9526837631 [0,1,1,0,0,0|1,1,0]=4 1659 B6R0.1 CCOC(=N)CCl MCULE-6291047852 [0,1,1,0,0,0|1,1,0]=4 1660 B6R0.1 CCOC(=N)CCl MCULE-9207251975 [0,1,1,0,0,0|1,1,0]=4 1661 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,1,1,0,0,0|1,1,0]=4 1662 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,1,1,0,0,0|1,1,0]=4 1663 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,1,1,0,0,0|1,1,0]=4 1664 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,1,1,0,0,0|2,0,0]=4 1665 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,1,1,0,0,0|1,1,0]=4 1666 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,1,1,0,0,0|1,1,0]=4 1667 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,1,1,0,0,0|1,1,0]=4 1668 B6R0.1 CCOC(=S)SC MCULE-6959447720 [0,1,1,0,0,0|2,0,0]=4 1669 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,1,1,0,0,0|2,0,0]=4 1670 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [0,1,1,0,0,0|2,0,0]=4 1671 B6R0.1 CS/C(=N/C#N)/N MCULE-7388071786 [0,1,1,0,0,0|1,0,1]=4 1672 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [0,1,1,0,0,0|2,0,0]=4 1673 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [0,1,1,0,0,0|2,0,0]=4 1674 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [0,1,1,0,0,0|2,0,0]=4 1675 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [0,1,1,0,0,0|2,0,0]=4 1676 B6R0.2 CC(=NC(C)C)C MCULE-4174313497 [0,1,1,0,0,0|2,0,0]=4 1677 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,1,1,0,0,0|1,0,1]=4 1678 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,1,1,0,0,0|1,0,1]=4 1679 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,1,1,0,0,0|1,0,0]=3 1680 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,1,1,0,0,0|1,0,0]=3 1681 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,1,1,0,0,0|1,0,0]=3 1682 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,1,1,0,0,0|1,1,0]=4 1683 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,1,1,0,0,0|1,0,1]=4 1684 B6R0.2 CC(C)NC(=N)N MCULE-4913172476 [0,1,1,0,0,0|1,0,0]=3 1685 B6R0.2 CC(C)NC(=N)N MCULE-4959976198 [0,1,1,0,0,0|1,0,0]=3 1686 B6R0.2 CC(C)NC(=N)N MCULE-5602505573 [0,1,1,0,0,0|1,0,0]=3 1687 B6R0.2 CC(C)NC(=N)N MCULE-8448870710 [0,1,1,0,0,0|1,0,0]=3 1688 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,1,1,0,0,0|0,1,1]=4 1689 B6R0.2 CC(C)NC(=S)N MCULE-9243939729 [0,1,1,0,0,0|0,0,2]=4 1690 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [0,1,1,0,0,0|0,1,0]=3 1691 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [0,1,1,0,0,0|0,1,0]=3 1692 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,1,1,0,0,0|1,1,0]=4 1693 B6R0.2 CC(C)SC(=N)N MCULE-1974434339 [0,1,1,0,0,0|0,0,0]=2 1694 B6R0.2 CC(C)SC(=N)N MCULE-3570639733 [0,1,1,0,0,0|0,0,0]=2 1695 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [0,1,1,0,0,0|2,0,0]=4 1696 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,1,1,0,0,0|1,1,0]=4 1697 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,1,1,0,0,0|1,1,0]=4 1698 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,1,1,0,0,0|1,1,0]=4 1699 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,1,1,0,0,0|1,1,0]=4 1700 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,1,1,0,0,0|1,0,0]=3 1701 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,1,1,0,0,0|1,0,0]=3 1702 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,1,1,0,0,0|1,1,0]=4 1703 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,1,1,0,0,0|1,0,1]=4 1704 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,1,1,0,0,0|1,1,0]=4 1705 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,1,1,0,0,0|1,1,0]=4 1706 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,1,1,0,0,0|1,1,0]=4 1707 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,1,1,0,0,0|1,1,0]=4 1708 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,1,1,0,0,0|1,1,0]=4 1709 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,1,0,0,0|1,1,0]=4 1710 B6R0.3 CCN(C)C(=N)N MCULE-1941465818 [0,1,1,0,0,0|1,0,0]=3 1711 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,1,1,0,0,0|0,1,1]=4 1712 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,1,1,0,0,0|1,1,0]=4 1713 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,1,1,0,0,0|1,1,0]=4 1714 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,1,1,0,0,0|1,1,0]=4 1715 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,1,1,0,0,0|1,1,0]=4 1716 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,1,1,0,0,0|1,1,0]=4 1717 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,1,1,0,0,0|1,1,0]=4 1718 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,1,1,0,0,0|1,1,0]=4 1719 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,1,1,0,0,0|1,1,0]=4 1720 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,1,1,0,0,0|1,1,0]=4 1721 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,1,1,0,0,0|1,1,0]=4 1722 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,1,1,0,0,0|2,0,0]=4 1723 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,1,1,0,0,0|2,0,0]=4 1724 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [0,1,1,0,0,0|0,1,1]=4 1725 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [0,1,1,0,0,0|1,0,1]=4 1726 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [0,1,1,0,0,0|1,0,1]=4 1727 B6R0.4 C=CCSC(=N)N MCULE-8236628420 [0,1,1,0,0,0|0,0,1]=3 1728 B6R0.4 C=CCSC(=[NH2+])N MCULE-7174450469 [0,1,1,0,0,0|0,0,2]=4 1729 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,1,1,0,0,0|2,0,0]=4 1730 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,1,1,0,0,0|2,0,0]=4 1731 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,1,1,0,0,0|2,0,0]=4 1732 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,1,1,0,0,0|2,0,0]=4 1733 B6R0.4 CC/C=C/C(=N)N MCULE-7871697378 [0,1,1,0,0,0|1,0,0]=3 1734 B6R0.4 CC/C=C/C(=N)N MCULE-9276291098 [0,1,1,0,0,0|1,0,0]=3 1735 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [0,1,1,0,0,0|0,1,1]=4 1736 B6R0.4 CC=NNC(=S)N MCULE-3128372277 [0,1,1,0,0,0|0,0,2]=4 1737 B6R0.4 CCCCC(=N)N MCULE-3271993509 [0,1,1,0,0,0|1,0,0]=3 1738 B6R0.4 CCCCC(=N)N MCULE-3935017760 [0,1,1,0,0,0|1,0,0]=3 1739 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,1,1,0,0,0|1,1,0]=4 1740 B6R0.4 CCCCC(=S)N MCULE-8236760762 [0,1,1,0,0,0|1,0,1]=4 1741 B6R0.4 CCCNC(=N)N MCULE-6381843991 [0,1,1,0,0,0|1,0,0]=3 1742 B6R0.4 CCCNC(=N)N MCULE-8286774592 [0,1,1,0,0,0|1,0,0]=3 1743 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,1,1,0,0,0|0,1,1]=4 1744 B6R0.4 CCCNC(=S)N MCULE-3142756488 [0,1,1,0,0,0|0,0,2]=4 1745 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,1,1,0,0,0|1,1,0]=4 1746 B6R0.4 CCCSC(=N)N MCULE-4777505658 [0,1,1,0,0,0|0,0,0]=2 1747 B6R0.4 CCCSC(=N)N MCULE-8873393921 [0,1,1,0,0,0|0,0,0]=2 1748 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,1,1,0,0,0|2,0,0]=4 1749 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,1,1,0,0,0|2,0,0]=4 1750 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [0,1,1,0,0,0|0,0,1]=3 1751 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,1,1,0,0,0|0,1,1]=4 1752 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,1,1,0,0,0|0,1,1]=4 1753 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,1,1,0,0,0|0,1,0]=3 1754 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,1,1,0,0,0|0,1,0]=3 1755 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,1,1,0,0,0|1,0,1]=4 1756 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,1,1,0,0,0|2,0,0]=4 1757 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,1,1,0,0,0|2,0,0]=4 1758 B6R0.4 CCSCC(C)N MCULE-3399255190 [0,1,1,0,0,0|1,0,1]=4 1759 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,1,1,0,0,0|1,1,0]=4 1760 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,1,1,0,0,0|1,1,0]=4 1761 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,1,1,0,0,0|1,0,0]=3 1762 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,1,1,0,0,0|1,0,0]=3 1763 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,1,1,0,0,0|1,1,0]=4 1764 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,1,1,0,0,0|0,1,1]=4 1765 B6R0.4 CSCCC(=N)N MCULE-3926353306 [0,1,1,0,0,0|1,0,0]=3 1766 B6R0.4 CSCCC(=N)N MCULE-4451485733 [0,1,1,0,0,0|1,0,0]=3 1767 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,1,1,0,0,0|1,1,0]=4 1768 B6R0.4 N=C(N)NCCO MCULE-5114367892 [0,1,1,0,0,0|1,0,0]=3 1769 B6R0.4 N=C(N)NCCO MCULE-6389092248 [0,1,1,0,0,0|1,0,0]=3 1770 B6R0.4 N=C(N)NCCS MCULE-1108122235 [0,1,1,0,0,0|1,0,0]=3 1771 B6R0.4 N=C(N)NCCS MCULE-1842583721 [0,1,1,0,0,0|1,0,0]=3 1772 B6R0.4 N=C(N)NCCS MCULE-4497722042 [0,1,1,0,0,0|1,0,0]=3 1773 B6R0.4 N=C(N)NCCS MCULE-6123443321 [0,1,1,0,0,0|1,0,0]=3 1774 B6R0.4 N=C(N)SCCN MCULE-1482556327 [0,1,1,0,0,0|0,0,0]=2 1775 B6R0.4 N=C(N)SCCO MCULE-5563309692 [0,1,1,0,0,0|0,0,0]=2 1776 B6R0.4 N=C(N)SCCO MCULE-5671847690 [0,1,1,0,0,0|0,0,0]=2 1777 B6R0.4 NC(=NCCO)N MCULE-5043697998 [0,1,1,0,0,0|1,0,0]=3 1778 B6R0.4 NC(=NCCS)N MCULE-4111802244 [0,1,1,0,0,0|1,0,0]=3 1779 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,1,1,0,0,0|1,1,0]=4 1780 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,1,1,0,0,0|1,1,0]=4 1781 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,1,1,0,0,0|0,1,1]=4 1782 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,1,1,0,0,0|0,1,1]=4 1783 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,1,1,0,0,0|0,1,1]=4 1784 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,1,1,0,0,0|1,1,0]=4 1785 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,1,1,0,0,0|1,1,0]=4 1786 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,1,1,0,0,0|1,0,1]=4 1787 B6R0.4 NC(=S)NCCO MCULE-9343742573 [0,1,1,0,0,0|0,0,2]=4 1788 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,1,1,0,0,0|1,1,0]=4 1789 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,1,1,0,0,0|1,1,0]=4 1790 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,1,1,0,0,0|0,1,1]=4 1791 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,1,1,0,0,0|0,1,1]=4 1792 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,1,1,0,0,0|0,1,1]=4 1793 B6R0.4 NCCNC(=S)N MCULE-7473616024 [0,1,1,0,0,0|0,0,2]=4 1794 B6R0.4 NCCNC(=S)N MCULE-7947010145 [0,1,1,0,0,0|0,0,2]=4 1795 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,1,1,0,0,0|1,1,0]=4 1796 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,1,1,0,0,0|1,1,0]=4 1797 B6R0.4 [NH2+]=C(N)SCC[NH3+] MCULE-2799536411 [0,1,1,0,0,0|0,0,1]=3 1798 B6R0.6 C=CCSCCC MCULE-3855352363 [0,1,1,0,0,0|2,0,0]=4 1799 B6R0.6 C=CCSCCN MCULE-3972995930 [0,1,1,0,0,0|1,0,1]=4 1800 B6R0.6 C=CCSCCN MCULE-9922932955 [0,1,1,0,0,0|1,0,1]=4 1801 B6R0.6 CC=CSCCC MCULE-3534082442 [0,1,1,0,0,0|2,0,0]=4 1802 B6R0.6 CCCSCCN MCULE-3934428121 [0,1,1,0,0,0|1,0,1]=4 1803 B6R0.6 CCCSCCN MCULE-5705755172 [0,1,1,0,0,0|1,0,1]=4 1804 B6R0.6 CSCCCC=O MCULE-6353729217 [0,1,1,0,0,0|2,0,0]=4 1805 B6R0.6 CSCCCCN MCULE-2391033479 [0,1,1,0,0,0|1,0,1]=4 1806 B6R0.6 CSCCCON MCULE-2543326517 [0,1,1,0,0,0|2,0,0]=4 1807 B6R0.6 CSCCN=C=O MCULE-4217751051 [0,1,1,0,0,0|1,0,1]=4 1808 B6R0.6 CSCCN=C=S MCULE-4977130724 [0,1,1,0,0,0|1,0,1]=4 1809 B6R0.6 CSCCN=N#N MCULE-6952720817 [0,1,1,0,0,0|1,0,1]=4 1810 B6R0.6 NCC=CCCN MCULE-5058870063 [0,1,1,0,0,0|1,0,1]=4 1811 B6R0.6 NCC=CCCN MCULE-6332692206 [0,1,1,0,0,0|1,0,1]=4 1812 B6R0.6 NCCCCCS MCULE-1813104379 [0,1,1,0,0,0|1,0,1]=4 1813 B6R0.6 NCCCCCS MCULE-6081835870 [0,1,1,0,0,0|1,0,1]=4 1814 B6R0.6 NCCSCCN MCULE-4317147284 [0,1,1,0,0,0|0,0,2]=4 1815 B6R0.6 NCCSCCN MCULE-5449033874 [0,1,1,0,0,0|0,0,2]=4 1816 B6R0.6 NCCSCCO MCULE-1475378446 [0,1,1,0,0,0|1,0,1]=4 1817 B6R0.9 C/N=C(/CO)\NC MCULE-6025664069 [0,1,1,0,0,0|2,0,0]=4 1818 B6R0.9 C/N=C(\NC)/SC MCULE-5887112308 [0,1,1,0,0,0|0,0,0]=2 1819 B6R0.9 C/N=C(\NC)/SC MCULE-7506115046 [0,1,1,0,0,0|0,0,0]=2 1820 B6R0.9 CN=C(NC)NC MCULE-9588381901 [0,1,1,0,0,0|1,0,0]=3 1821 B6R0.9 CNC(=NN)NC MCULE-4946796362 [0,1,1,0,0,0|1,0,1]=4 1822 B6R0.9 CNC(=NN)NC MCULE-9911808922 [0,1,1,0,0,0|1,0,1]=4 1823 B6R0.9 CS/C(=N\N)/NN MCULE-1127876112 [0,1,1,0,0,0|1,0,0]=3 1824 B6R0.9 CS/C(=N\N)/NN MCULE-9055186024 [0,1,1,0,0,0|1,0,0]=3 1825 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,1,0,0,1,0|2,0,0]=4 1826 B6R1.4 CC1CCC1N MCULE-9634057678 [0,1,0,0,1,0|1,0,1]=4 1827 B6R1.4 CC1CCC1N MCULE-9849489304 [0,1,0,0,1,0|1,0,1]=4 1828 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,1,0,0,1,0|1,0,1]=4 1829 B6R1.4 CC1COC1=O MCULE-9711165188 [0,1,0,0,1,0|1,1,0]=4 1830 B6R1.4 C[C@@H]1CC[C@@H]1N MCULE-9803413081 [0,1,0,0,1,0|1,0,1]=4 1831 B6R1.4 C[C@@H]1CC[C@H]1N MCULE-3888655890 [0,1,0,0,1,0|1,0,1]=4 1832 B6R1.4 C[C@H]1CC[C@@H]1N MCULE-1445146965 [0,1,0,0,1,0|1,0,1]=4 1833 B6R1.4 C[C@H]1CC[C@H]1N MCULE-3329522369 [0,1,0,0,1,0|1,0,1]=4 1834 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,1,0,0,1,0|1,0,1]=4 1835 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,1,0,0,1,0|1,0,1]=4 1836 B6R1.4 NC1CCC1F MCULE-1403984623 [0,1,0,0,1,0|1,0,1]=4 1837 B6R1.4 NC1CCC1F MCULE-8216841286 [0,1,0,0,1,0|1,0,1]=4 1838 B6R1.4 NC1CCC1N MCULE-6052332328 [0,1,0,0,1,0|1,0,1]=4 1839 B6R1.4 NC1CCC1O MCULE-4636397534 [0,1,0,0,1,0|1,0,1]=4 1840 B6R1.4 NC1CCC1O MCULE-7148132261 [0,1,0,0,1,0|1,0,1]=4 1841 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,1,0,0,1,0|1,0,1]=4 1842 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,1,0,0,1,0|1,0,1]=4 1843 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,1,0,0,1,0|1,0,1]=4 1844 B6R1.4 NC1COC1=O MCULE-6998565452 [0,1,0,0,1,0|1,1,0]=4 1845 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,1,0,0,1,0|1,0,1]=4 1846 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,1,0,0,1,0|1,0,1]=4 1847 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,1,0,0,1,0|1,0,1]=4 1848 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,1,0,0,1,0|1,0,1]=4 1849 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,1,0,0,1,0|1,0,1]=4 1850 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,1,0,0,1,0|1,0,1]=4 1851 B6R1.4 N[C@@H]1CC[C@H]1N MCULE-6204977772 [0,1,0,0,1,0|1,0,1]=4 1852 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,1,0,0,1,0|1,0,1]=4 1853 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,1,0,0,1,0|1,0,1]=4 1854 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,1,0,0,1,0|1,0,1]=4 1855 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,1,0,0,1,0|1,0,1]=4 1856 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,1,0,0,1,0|1,0,1]=4 1857 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,1,0,0,1,0|1,0,1]=4 1858 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,1,0,0,1,0|1,0,1]=4 1859 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,1,0,0,1,0|1,0,1]=4 1860 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,1,0,0,1,0|1,1,0]=4 1861 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,1,0,0,1,0|1,1,0]=4 1862 B6R1.4 N[C@H]1CC[C@@H]1N MCULE-3551063683 [0,1,0,0,1,0|1,0,1]=4 1863 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,1,0,0,1,0|1,0,1]=4 1864 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,1,0,0,1,0|1,0,1]=4 1865 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,1,0,0,1,0|1,0,1]=4 1866 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,1,0,0,1,0|1,0,1]=4 1867 B6R1.4 N[C@H]1CC[C@H]1N MCULE-2823061893 [0,1,0,0,1,0|1,0,1]=4 1868 B6R1.4 N[C@H]1CC[C@H]1N MCULE-6752412872 [0,1,0,0,1,0|1,0,1]=4 1869 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,1,0,0,1,0|1,0,1]=4 1870 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,1,0,0,1,0|1,0,1]=4 1871 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,1,0,0,1,0|1,0,1]=4 1872 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,1,0,0,1,0|1,0,1]=4 1873 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,1,0,0,1,0|1,0,1]=4 1874 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,1,0,0,1,0|1,0,1]=4 1875 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,1,0,0,1,0|1,1,0]=4 1876 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,1,0,0,1,0|2,0,0]=4 1877 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,1,0,0,1,0|2,0,0]=4 1878 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,1,0,0,1,0|2,0,0]=4 1879 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,1,0,0,1,0|2,0,0]=4 1880 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,1,0,0,1,0|1,1,0]=4 1881 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [0,1,0,0,1,0|2,0,0]=4 1882 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [0,1,0,0,1,0|2,0,0]=4 1883 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,1,0,0,1,0|2,0,0]=4 1884 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,1,0,0,1,0|1,0,1]=4 1885 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,1,0,0,1,0|1,1,0]=4 1886 B6R1.5 CC1CC(C1)N MCULE-5323299846 [0,1,0,0,1,0|1,0,1]=4 1887 B6R1.5 CC1CC(C1)N MCULE-9940885824 [0,1,0,0,1,0|1,0,1]=4 1888 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,1,0,0,1,0|1,1,0]=4 1889 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-1535311916 [0,1,0,0,1,0|1,0,1]=4 1890 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-2831484375 [0,1,0,0,1,0|1,0,1]=4 1891 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-7323273959 [0,1,0,0,1,0|1,0,1]=4 1892 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-9517005721 [0,1,0,0,1,0|1,0,1]=4 1893 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,1,0,0,1,0|2,0,0]=4 1894 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,1,0,0,1,0|2,0,0]=4 1895 B6R1.5 NC1CC(C1)Br MCULE-1024702653 [0,1,0,0,1,0|1,0,1]=4 1896 B6R1.5 NC1CC(C1)Br MCULE-6956910745 [0,1,0,0,1,0|1,0,1]=4 1897 B6R1.5 NC1CC(C1)Cl MCULE-2079032271 [0,1,0,0,1,0|1,0,1]=4 1898 B6R1.5 NC1CC(C1)Cl MCULE-9907911910 [0,1,0,0,1,0|1,0,1]=4 1899 B6R1.5 NC1CC(C1)F MCULE-8668562856 [0,1,0,0,1,0|1,0,1]=4 1900 B6R1.5 NC1CC(C1)F MCULE-9413732351 [0,1,0,0,1,0|1,0,1]=4 1901 B6R1.5 NC1CC(C1)N MCULE-2499828215 [0,1,0,0,1,0|1,0,1]=4 1902 B6R1.5 NC1CC(C1)N MCULE-9585725038 [0,1,0,0,1,0|1,0,1]=4 1903 B6R1.5 NC1CC(C1)O MCULE-3800806511 [0,1,0,0,1,0|1,0,1]=4 1904 B6R1.5 NC1CC(C1)O MCULE-4101412744 [0,1,0,0,1,0|1,0,1]=4 1905 B6R1.5 NN1CC(C1)O MCULE-1883589988 [0,1,0,0,1,0|2,0,0]=4 1906 B6R1.5 NN1CC(C1)O MCULE-4736517920 [0,1,0,0,1,0|2,0,0]=4 1907 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-2563959776 [0,1,0,0,1,0|1,0,1]=4 1908 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-4159438704 [0,1,0,0,1,0|1,0,1]=4 1909 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-1693657713 [0,1,0,0,1,0|1,0,1]=4 1910 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-2842964955 [0,1,0,0,1,0|1,0,1]=4 1911 B6R1.5 N[C@H]1C[C@@H](C1)N MCULE-7371432215 [0,1,0,0,1,0|1,0,1]=4 1912 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-3690359453 [0,1,0,0,1,0|1,0,1]=4 1913 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-6031478808 [0,1,0,0,1,0|1,0,1]=4 1914 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-7248556800 [0,1,0,0,1,0|1,0,1]=4 1915 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-8169894230 [0,1,0,0,1,0|1,0,1]=4 1916 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-2358029728 [0,1,0,0,1,0|1,0,1]=4 1917 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-8703864989 [0,1,0,0,1,0|1,0,1]=4 1918 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2367486822 [0,1,0,0,1,0|1,0,1]=4 1919 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2477923057 [0,1,0,0,1,0|1,0,1]=4 1920 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,1,0,0,1,0|2,0,0]=4 1921 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,1,0,0,1,0|2,0,0]=4 1922 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,1,0,0,1,0|2,0,0]=4 1923 B6R1.5 [C@@H]1(C[C@@H](C1)N)N MCULE-6268630823 [0,1,0,0,1,0|1,0,1]=4 1924 B6R1.6 CNC1CCC1 MCULE-1364608179 [0,1,0,0,1,0|1,0,1]=4 1925 B6R1.6 CNC1CCC1 MCULE-2951993315 [0,1,0,0,1,0|1,0,1]=4 1926 B6R1.6 CNC1CCN1 MCULE-7769870554 [0,1,0,0,1,0|0,0,2]=4 1927 B6R1.6 CNC1CCN1 MCULE-9764026934 [0,1,0,0,1,0|0,0,2]=4 1928 B6R1.6 NCC1CCC1 MCULE-4977602211 [0,1,0,0,1,0|1,0,1]=4 1929 B6R1.6 NCC1CCC1 MCULE-8434128112 [0,1,0,0,1,0|1,0,1]=4 1930 B6R1.6 NCC1CCN1 MCULE-4988917629 [0,1,0,0,1,0|0,0,2]=4 1931 B6R1.6 NCC1CCN1 MCULE-5495577627 [0,1,0,0,1,0|0,0,2]=4 1932 B6R1.6 NCC1CCN1 MCULE-7749596260 [0,1,0,0,1,0|0,0,2]=4 1933 B6R1.6 NCC1CCO1 MCULE-4478591600 [0,1,0,0,1,0|0,1,1]=4 1934 B6R1.6 NCC1CCS1 MCULE-4026106833 [0,1,0,0,1,0|0,0,1]=3 1935 B6R1.6 NCC1CCS1 MCULE-5342015412 [0,1,0,0,1,0|0,0,1]=3 1936 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [0,1,0,0,1,0|0,1,1]=4 1937 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [0,1,0,0,1,0|0,1,1]=4 1938 B6R1.6 NC[C@H]1CCN1 MCULE-2270552795 [0,1,0,0,1,0|0,0,2]=4 1939 B6R1.6 NC[C@H]1CCN1 MCULE-2882990554 [0,1,0,0,1,0|0,0,2]=4 1940 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [0,1,0,0,1,0|0,1,1]=4 1941 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [0,1,0,0,1,0|0,1,1]=4 1942 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [0,1,0,0,1,0|0,1,1]=4 1943 B6R1.6 NNC1CCC1 MCULE-2058855063 [0,1,0,0,1,0|1,0,1]=4 1944 B6R1.6 NNC1CCC1 MCULE-2355527907 [0,1,0,0,1,0|1,0,1]=4 1945 B6R1.6 NNC1CCC1 MCULE-7674249555 [0,1,0,0,1,0|1,0,1]=4 1946 B6R1.6 NOC1CCC1 MCULE-2140396646 [0,1,0,0,1,0|1,0,1]=4 1947 B6R1.6 NOC1CCC1 MCULE-9347173321 [0,1,0,0,1,0|1,0,1]=4 1948 B6R1.6 ON=C1CCC1 MCULE-4777625640 [0,1,0,0,1,0|1,0,1]=4 1949 B6R1.10 CC1(CCC1)N MCULE-1932351179 [0,1,0,0,1,0|1,0,1]=4 1950 B6R1.10 CC1(CCC1)N MCULE-9177696302 [0,1,0,0,1,0|1,0,1]=4 1951 B8R1.2 C/N=C\1/[NH2+]CCCS1 MCULE-7599934566 [0,1,0,0,0,1|0,0,2]=4 1952 B8R1.2 CCC1=NCCCC1 MCULE-5828184755 [0,1,0,0,0,1|2,0,0]=4 1953 B8R1.2 CNC1CCCSC1 MCULE-1133400404 [0,1,0,0,0,1|1,0,1]=4 1954 B8R1.2 CNC1CCCSC1 MCULE-7973096065 [0,1,0,0,0,1|1,0,1]=4 1955 B8R1.2 COC1=NCCCC1 MCULE-3080988027 [0,1,0,0,0,1|2,0,0]=4 1956 B8R1.2 COC1=NCCOC1 MCULE-6346383497 [0,1,0,0,0,1|1,1,0]=4 1957 B8R1.2 CSC1=NCCCN1 MCULE-4252949660 [0,1,0,0,0,1|2,0,0]=4 1958 B8R1.2 CSC1=NCCCN1 MCULE-4367422216 [0,1,0,0,0,1|2,0,0]=4 1959 B8R1.2 CSC1=NCCCN1 MCULE-7320602045 [0,1,0,0,0,1|2,0,0]=4 1960 B8R1.2 CSC1=NCCCS1 MCULE-6353934403 [0,1,0,0,0,1|1,0,0]=3 1961 B8R1.2 CSC1=NCCSC1 MCULE-1243311765 [0,1,0,0,0,1|1,0,0]=3 1962 B8R1.2 NCC1=CCCCC1 MCULE-3951635533 [0,1,0,0,0,1|2,0,0]=4 1963 B8R1.2 NCC1=CCCCC1 MCULE-4923330324 [0,1,0,0,0,1|2,0,0]=4 1964 B8R1.2 NCC1=CCCOC1 MCULE-1828364688 [0,1,0,0,0,1|1,1,0]=4 1965 B8R1.2 NCC1=CCCOC1 MCULE-8439895783 [0,1,0,0,0,1|1,1,0]=4 1966 B8R1.2 NCC1=CCOCC1 MCULE-5018009136 [0,1,0,0,0,1|2,0,0]=4 1967 B8R1.2 NCC1=CCOCC1 MCULE-6920828049 [0,1,0,0,0,1|2,0,0]=4 1968 B8R1.2 NCC1=NCCCN1 MCULE-3240095476 [0,1,0,0,0,1|1,0,0]=3 1969 B8R1.2 NCC1=NCCCN1 MCULE-7557068134 [0,1,0,0,0,1|1,0,0]=3 1970 B8R1.2 NCC1CCCCS1 MCULE-1705875111 [0,1,0,0,0,1|1,0,1]=4 1971 B8R1.2 NCC1CCCSC1 MCULE-1894328803 [0,1,0,0,0,1|1,0,1]=4 1972 B8R1.2 NCC1CSCCN1 MCULE-2206802895 [0,1,0,0,0,1|0,0,2]=4 1973 B8R1.2 NCC1CSCCS1 MCULE-8020891732 [0,1,0,0,0,1|1,0,1]=4 1974 B8R1.2 NNC1=NCCCN1 MCULE-4756445413 [0,1,0,0,0,1|1,0,0]=3 1975 B8R1.2 NNC1=NCCCN1 MCULE-9343792606 [0,1,0,0,0,1|1,0,0]=3 1976 B8R1.2 NNC1=NCCCN1 MCULE-9369072019 [0,1,0,0,0,1|1,0,0]=3 1977 B8R1.2 NNC1CCCSC1 MCULE-2745263925 [0,1,0,0,0,1|1,0,1]=4 1978 B8R1.2 NNC1CCCSC1 MCULE-3788828042 [0,1,0,0,0,1|1,0,1]=4 1979 B8R1.2 O=CC1=CCCSC1 MCULE-9611960845 [0,1,0,0,0,1|2,0,0]=4 1980 B8R1.2 OCC1=NOCCC1 MCULE-7754725295 [0,1,0,0,0,1|2,0,0]=4 1981 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,1,0,0,0,1|2,0,0]=4 1982 B8R1.3 CN1CN=C(NC1)S MCULE-4201809553 [0,1,0,0,0,1|2,0,0]=4 1983 B8R1.3 NC1=NCC(CN1)O MCULE-3531969759 [0,1,0,0,0,1|1,0,0]=3 1984 B8R1.4 CC1CCN=C(S1)N MCULE-2188659606 [0,1,0,0,0,1|0,0,0]=2 1985 B8R1.4 CC1CCN=C(S1)N MCULE-8502352820 [0,1,0,0,0,1|0,0,0]=2 1986 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-5066686774 [0,1,0,0,0,1|0,0,0]=2 1987 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-6965708093 [0,1,0,0,0,1|0,0,0]=2 1988 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,1,0,0,0,1|2,0,0]=4 1989 B8R1.4 NC1=NCCC(=O)N1 MCULE-1616157929 [0,1,0,0,0,1|1,0,0]=3 1990 B8R1.4 O=C1NC(=S)CCS1 MCULE-5745642312 [0,1,0,0,0,1|1,0,1]=4 1991 B8R1.4 S=C1CCSC(=S)N1 MCULE-9772893889 [0,1,0,0,0,1|1,0,1]=4 1992 B8R1.5 CC1=NCCCN1C MCULE-1598225464 [0,1,0,0,0,1|2,0,0]=4 1993 B8R1.5 CC1=NCCN=C1C MCULE-5569035014 [0,1,0,0,0,1|2,0,0]=4 1994 B8R1.5 CC1=NCCN=C1O MCULE-8832794702 [0,1,0,0,0,1|2,0,0]=4 1995 B8R1.5 CC1SCCCC1=O MCULE-7641066964 [0,1,0,0,0,1|2,0,0]=4 1996 B8R1.5 CC1SCCNC1=O MCULE-1825894745 [0,1,0,0,0,1|1,0,1]=4 1997 B8R1.1 C#CC1=CN=C(S1)N MCULE-5262375050 [0,2,0,0,0,0|0,0,2]=4 1998 B8R1.1 C=CC1=CSC(=N1)N MCULE-2702813143 [0,2,0,0,0,0|0,0,2]=4 1999 B8R1.1 C=CC1=CSC(=N1)N MCULE-4934236377 [0,2,0,0,0,0|0,0,2]=4 2000 B8R1.1 CC1=CN=C(S1)CN MCULE-1683050488 [0,2,0,0,0,0|0,0,2]=4 2001 B8R1.1 CC1=CN=C(S1)CN MCULE-6287220694 [0,2,0,0,0,0|0,0,2]=4 2002 B8R1.1 CC1=CSC(=N1)CN MCULE-2036507490 [0,2,0,0,0,0|0,0,2]=4 2003 B8R1.1 CC1=CSC(=N1)CN MCULE-3717260212 [0,2,0,0,0,0|0,0,2]=4 2004 B8R1.1 CC1=CSC(=N1)CN MCULE-9623326508 [0,2,0,0,0,0|0,0,2]=4 2005 B8R1.1 CC1=CSC(=N1)NN MCULE-6298693417 [0,2,0,0,0,0|0,0,2]=4 2006 B8R1.1 CC1=CSC(=N1)NN MCULE-7896782730 [0,2,0,0,0,0|0,0,2]=4 2007 B8R1.1 CC1=NC(CO1)CBr MCULE-4046707435 [0,2,0,0,0,0|1,1,0]=4 2008 B8R1.1 CC1=NN=C(S1)CN MCULE-2198596024 [0,2,0,0,0,0|1,0,1]=4 2009 B8R1.1 CC1=NN=C(S1)CN MCULE-8469649126 [0,2,0,0,0,0|1,0,1]=4 2010 B8R1.1 CC1=NN=C(S1)CN MCULE-8596213104 [0,2,0,0,0,0|1,0,1]=4 2011 B8R1.1 CC1=NN=C(S1)NN MCULE-3931344872 [0,2,0,0,0,0|1,0,1]=4 2012 B8R1.1 CC1=NN=C(S1)NN MCULE-8892215474 [0,2,0,0,0,0|1,0,1]=4 2013 B8R1.1 CC1CN=C(N1)NN MCULE-1932322399 [0,2,0,0,0,0|1,0,0]=3 2014 B8R1.1 CC1CN=C(N1)NN MCULE-5229196260 [0,2,0,0,0,0|1,0,0]=3 2015 B8R1.1 CC1CNC(=N1)NN MCULE-4857080777 [0,2,0,0,0,0|1,0,0]=3 2016 B8R1.1 CCC1=CN=C(S1)N MCULE-6404813764 [0,2,0,0,0,0|0,0,2]=4 2017 B8R1.1 CCC1=CSC(=N1)N MCULE-6420589979 [0,2,0,0,0,0|0,0,2]=4 2018 B8R1.1 CCC1=CSC(=N1)N MCULE-9421749041 [0,2,0,0,0,0|0,0,2]=4 2019 B8R1.1 CCC1=NC(CN1)C MCULE-6333019212 [0,2,0,0,0,0|2,0,0]=4 2020 B8R1.1 CCC1=NN=C(S1)N MCULE-2760146919 [0,2,0,0,0,0|1,0,1]=4 2021 B8R1.1 CCC1=NSC(=N1)N MCULE-6305260269 [0,2,0,0,0,0|1,0,1]=4 2022 B8R1.1 CCC1COC(=N1)C MCULE-1406641220 [0,2,0,0,0,0|1,1,0]=4 2023 B8R1.1 CCC1CSC(=N1)C MCULE-4393928745 [0,2,0,0,0,0|1,0,0]=3 2024 B8R1.1 CNC1=NC(=CS1)Br MCULE-7529370493 [0,2,0,0,0,0|0,0,2]=4 2025 B8R1.1 CNC1=NC(=CS1)C MCULE-8870714223 [0,2,0,0,0,0|0,0,2]=4 2026 B8R1.1 CNC1=NC(=CS1)N MCULE-1764329123 [0,2,0,0,0,0|0,0,2]=4 2027 B8R1.1 CNC1=NC(=NS1)C MCULE-8146212766 [0,2,0,0,0,0|1,0,1]=4 2028 B8R1.1 CNC1=NC(=O)CS1 MCULE-8138376147 [0,2,0,0,0,0|0,0,1]=3 2029 B8R1.1 CNC1=NC=C(S1)Br MCULE-2135585462 [0,2,0,0,0,0|0,0,2]=4 2030 B8R1.1 CNC1=NC=C(S1)Br MCULE-5186855515 [0,2,0,0,0,0|0,0,2]=4 2031 B8R1.1 CNC1=NC=C(S1)C MCULE-3804593079 [0,2,0,0,0,0|0,0,2]=4 2032 B8R1.1 CNC1=NCC(S1)C MCULE-2475573763 [0,2,0,0,0,0|0,0,0]=2 2033 B8R1.1 CNC1=NN=C(S1)Br MCULE-4784594615 [0,2,0,0,0,0|1,0,1]=4 2034 B8R1.1 CNC1=NN=C(S1)C MCULE-3317885015 [0,2,0,0,0,0|1,0,1]=4 2035 B8R1.1 CNC1=NN=C(S1)S MCULE-6385625556 [0,2,0,0,0,0|1,0,1]=4 2036 B8R1.1 COC1=CN=C(S1)N MCULE-4458108202 [0,2,0,0,0,0|0,0,2]=4 2037 B8R1.1 COC1=NN=C(S1)N MCULE-7085003186 [0,2,0,0,0,0|1,0,1]=4 2038 B8R1.1 COC1=NSC(=N1)N MCULE-9668497475 [0,2,0,0,0,0|1,0,1]=4 2039 B8R1.1 CSC1=CN=C(S1)N MCULE-1813756066 [0,2,0,0,0,0|0,0,2]=4 2040 B8R1.1 CSC1=NC(=O)CS1 MCULE-8345887508 [0,2,0,0,0,0|1,0,1]=4 2041 B8R1.1 CSC1=NC(CN1)C MCULE-5363773569 [0,2,0,0,0,0|2,0,0]=4 2042 B8R1.1 CSC1=NC(CN1)C MCULE-7884427745 [0,2,0,0,0,0|2,0,0]=4 2043 B8R1.1 CSC1=NC(CS1)C MCULE-7229347458 [0,2,0,0,0,0|1,0,0]=3 2044 B8R1.1 CSC1=NN=C(S1)N MCULE-6644468700 [0,2,0,0,0,0|1,0,1]=4 2045 B8R1.1 CSC1=NSC(=N1)N MCULE-7389158286 [0,2,0,0,0,0|1,0,1]=4 2046 B8R1.1 N#CC1=CN=C(S1)N MCULE-4370475696 [0,2,0,0,0,0|0,0,2]=4 2047 B8R1.1 N#CC1=CSC(=N1)N MCULE-9294181729 [0,2,0,0,0,0|0,0,2]=4 2048 B8R1.1 N#CC1=NN=C(S1)N MCULE-6998544190 [0,2,0,0,0,0|1,0,1]=4 2049 B8R1.1 NC1=NC(=CS1)C=O MCULE-5246064895 [0,2,0,0,0,0|0,0,2]=4 2050 B8R1.1 NC1=NC(=CS1)CCl MCULE-7872971411 [0,2,0,0,0,0|0,0,2]=4 2051 B8R1.1 NC1=NC(=CS1)CCl MCULE-9692173553 [0,2,0,0,0,0|0,0,2]=4 2052 B8R1.1 NC1=NC(=CS1)CO MCULE-5650655946 [0,2,0,0,0,0|0,0,2]=4 2053 B8R1.1 NC1=NC(=CS1)CO MCULE-7197783601 [0,2,0,0,0,0|0,0,2]=4 2054 B8R1.1 NC1=NC(CS1)CBr MCULE-2891354982 [0,2,0,0,0,0|0,0,0]=2 2055 B8R1.1 NC1=NC=C(S1)C=O MCULE-3494753598 [0,2,0,0,0,0|0,0,2]=4 2056 B8R1.1 NC1=NC=C(S1)C=O MCULE-7692870141 [0,2,0,0,0,0|0,0,2]=4 2057 B8R1.1 NC1=NC=C(S1)CO MCULE-2725928810 [0,2,0,0,0,0|0,0,2]=4 2058 B8R1.1 NC1=NC=C(S1)CO MCULE-5454119143 [0,2,0,0,0,0|0,0,2]=4 2059 B8R1.1 NC1=NCC(O1)CBr MCULE-8408311546 [0,2,0,0,0,0|0,1,0]=3 2060 B8R1.1 NC1=NCC(O1)CBr MCULE-9513559204 [0,2,0,0,0,0|0,1,0]=3 2061 B8R1.1 NC1=NCC(S1)CBr MCULE-1640759813 [0,2,0,0,0,0|0,0,0]=2 2062 B8R1.1 NC1=NCC(S1)CBr MCULE-2376391791 [0,2,0,0,0,0|0,0,0]=2 2063 B8R1.1 NC1=NCC(S1)CI MCULE-2422472145 [0,2,0,0,0,0|0,0,0]=2 2064 B8R1.1 NC1=NCC(S1)CI MCULE-7694704866 [0,2,0,0,0,0|0,0,0]=2 2065 B8R1.1 NC1=NCC(S1)CO MCULE-4504619516 [0,2,0,0,0,0|0,0,0]=2 2066 B8R1.1 NC1=NCC(S1)CO MCULE-6571214900 [0,2,0,0,0,0|0,0,0]=2 2067 B8R1.1 NC1=NCC(S1)CO MCULE-9202205601 [0,2,0,0,0,0|0,0,0]=2 2068 B8R1.1 NC1=NN=C(S1)C=O MCULE-3946699984 [0,2,0,0,0,0|1,0,1]=4 2069 B8R1.1 NC1=NN=C(S1)CCl MCULE-6054285527 [0,2,0,0,0,0|1,0,1]=4 2070 B8R1.1 NC1=NN=C(S1)CCl MCULE-9102375150 [0,2,0,0,0,0|1,0,1]=4 2071 B8R1.1 NC1=NN=C(S1)CO MCULE-1932183192 [0,2,0,0,0,0|1,0,1]=4 2072 B8R1.1 NCC1=CN=C(S1)N MCULE-6885414988 [0,2,0,0,0,0|0,0,2]=4 2073 B8R1.1 NCC1=CN=C(S1)N MCULE-9851225199 [0,2,0,0,0,0|0,0,2]=4 2074 B8R1.1 NCC1=CSC(=N1)N MCULE-9543178668 [0,2,0,0,0,0|0,0,2]=4 2075 B8R1.1 NCC1=CSC(=N1)N MCULE-9888473144 [0,2,0,0,0,0|0,0,2]=4 2076 B8R1.1 NCC1=NC(=CS1)Br MCULE-4133588049 [0,2,0,0,0,0|0,0,2]=4 2077 B8R1.1 NCC1=NC(=CS1)Br MCULE-5696075194 [0,2,0,0,0,0|0,0,2]=4 2078 B8R1.1 NCC1=NC(=CS1)Cl MCULE-9456344612 [0,2,0,0,0,0|0,0,2]=4 2079 B8R1.1 NCC1=NC=C(S1)Br MCULE-2655152875 [0,2,0,0,0,0|0,0,2]=4 2080 B8R1.1 NCC1=NC=C(S1)Br MCULE-4658793231 [0,2,0,0,0,0|0,0,2]=4 2081 B8R1.1 NCC1=NC=C(S1)Cl MCULE-5967248836 [0,2,0,0,0,0|0,0,2]=4 2082 B8R1.1 NCC1=NC=C(S1)Cl MCULE-7733128837 [0,2,0,0,0,0|0,0,2]=4 2083 B8R1.1 NCC1=NN=C(S1)Br MCULE-5449517850 [0,2,0,0,0,0|1,0,1]=4 2084 B8R1.1 NCC1=NN=C(S1)Br MCULE-5761110788 [0,2,0,0,0,0|1,0,1]=4 2085 B8R1.1 NCC1=NN=C(S1)N MCULE-2744835264 [0,2,0,0,0,0|1,0,1]=4 2086 B8R1.1 NCC1=NN=C(S1)N MCULE-6226305350 [0,2,0,0,0,0|1,0,1]=4 2087 B8R1.1 NCC1=NN=C(S1)S MCULE-4706650297 [0,2,0,0,0,0|1,0,1]=4 2088 B8R1.1 NNC1=NCC(=O)N1 MCULE-1430423645 [0,2,0,0,0,0|1,0,1]=4 2089 B8R1.1 NNC1=NCC(=O)N1 MCULE-5220093727 [0,2,0,0,0,0|1,0,1]=4 2090 B8R1.1 O=C1NCC(S1)CBr MCULE-9963419555 [0,2,0,0,0,0|1,0,1]=4 2091 B8R1.1 [NH3+]C1=NC(CS1)CBr MCULE-4019292912 [0,2,0,0,0,0|0,0,1]=3 2092 B8R1.7 C=C(C)C1=NCCO1 MCULE-8164273045 [0,2,0,0,0,0|1,1,0]=4 2093 B8R1.7 CC(=O)C1=NCCS1 MCULE-8548990347 [0,2,0,0,0,0|1,0,0]=3 2094 B8R1.7 CC(C)C1=NCCO1 MCULE-9619375777 [0,2,0,0,0,0|1,1,0]=4 2095 B8R1.7 CC(N)C1=NC=CS1 MCULE-3700892459 [0,2,0,0,0,0|0,0,2]=4 2096 B8R1.7 CC(N)C1=NC=CS1 MCULE-5365734887 [0,2,0,0,0,0|0,0,2]=4 2097 B8R1.7 CC(N)C1=NC=CS1 MCULE-7520723695 [0,2,0,0,0,0|0,0,2]=4 2098 B8R1.7 CN(C)C1=NC=CS1 MCULE-5802917310 [0,2,0,0,0,0|0,0,2]=4 2099 B8R1.7 CN(C)C1SCCS1 MCULE-8424467210 [0,2,0,0,0,0|1,0,1]=4 2100 B8R1.7 CN(N)C1=NCCN1 MCULE-1687710496 [0,2,0,0,0,0|1,0,0]=3 2101 B8R1.7 CN(N)C1=NCCN1 MCULE-5868508277 [0,2,0,0,0,0|1,0,0]=3 2102 B8R1.7 C[C@@H](N)C1=NC=CS1 MCULE-3916717926 [0,2,0,0,0,0|0,0,2]=4 2103 B8R1.7 C[C@@H](N)C1=NC=CS1 MCULE-5557690558 [0,2,0,0,0,0|0,0,2]=4 2104 B8R1.7 C[C@@H](N)C1=NC=CS1 MCULE-6892797210 [0,2,0,0,0,0|0,0,2]=4 2105 B8R1.7 C[C@@H](N)C1=NC=CS1 MCULE-7995474281 [0,2,0,0,0,0|0,0,2]=4 2106 B8R1.7 C[C@@H](N)C1=NC=CS1 MCULE-9654724961 [0,2,0,0,0,0|0,0,2]=4 2107 B8R1.7 C[C@H](N)C1=NC=CS1 MCULE-4210464436 [0,2,0,0,0,0|0,0,2]=4 2108 B8R1.7 C[C@H](N)C1=NC=CS1 MCULE-6093901022 [0,2,0,0,0,0|0,0,2]=4 2109 B8R1.7 C[C@H](N)C1=NC=CS1 MCULE-7768285522 [0,2,0,0,0,0|0,0,2]=4 2110 B8R1.7 C[C@H](N)C1=NC=CS1 MCULE-9021065278 [0,2,0,0,0,0|0,0,2]=4 2111 B8R1.7 ClC(Cl)C1=NCCO1 MCULE-2847442808 [0,2,0,0,0,0|1,1,0]=4 2112 B8R1.7 N=C(N)C1=NC=CS1 MCULE-3902565018 [0,2,0,0,0,0|0,0,2]=4 2113 B8R1.7 N=C(N)C1=NC=CS1 MCULE-7392152298 [0,2,0,0,0,0|0,0,2]=4 2114 B8R1.7 NC(=O)C1=NC=CS1 MCULE-1817677731 [0,2,0,0,0,0|0,0,2]=4 2115 B8R1.7 NC(=O)C1=NCCN1 MCULE-8784849906 [0,2,0,0,0,0|1,0,0]=3 2116 B8R1.7 NC(=S)C1=NC=CS1 MCULE-4963695789 [0,2,0,0,0,0|0,0,2]=4 2117 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [0,2,0,0,0,0|2,0,0]=4 2118 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,2,0,0,0,0|2,0,0]=4 2119 B8R1.8 CC/N=C\1/NCCS1 MCULE-5372424971 [0,2,0,0,0,0|0,0,2]=4 2120 B8R1.8 CCCC1=NCCN1 MCULE-9254537375 [0,2,0,0,0,0|2,0,0]=4 2121 B8R1.8 CCCC1=NCCO1 MCULE-4941877816 [0,2,0,0,0,0|1,1,0]=4 2122 B8R1.8 CCCC1=NCCS1 MCULE-8191971237 [0,2,0,0,0,0|1,0,0]=3 2123 B8R1.8 CCNC1=NC=CS1 MCULE-3514422223 [0,2,0,0,0,0|0,0,2]=4 2124 B8R1.8 CCNC1=NC=CS1 MCULE-8504511001 [0,2,0,0,0,0|0,0,2]=4 2125 B8R1.8 CCNC1=NN=CS1 MCULE-4183177121 [0,2,0,0,0,0|1,0,1]=4 2126 B8R1.8 CCOC1=NCCC1 MCULE-7392104128 [0,2,0,0,0,0|2,0,0]=4 2127 B8R1.8 CCSC1=NCCN1 MCULE-9504505617 [0,2,0,0,0,0|2,0,0]=4 2128 B8R1.8 CNCC1=NC=CS1 MCULE-4909505988 [0,2,0,0,0,0|0,0,2]=4 2129 B8R1.8 CNCC1=NC=CS1 MCULE-7980477759 [0,2,0,0,0,0|0,0,2]=4 2130 B8R1.8 CNCC1=NC=CS1 MCULE-9494239390 [0,2,0,0,0,0|0,0,2]=4 2131 B8R1.8 CNSC1=NN=CS1 MCULE-9826726586 [0,2,0,0,0,0|1,0,1]=4 2132 B8R1.8 COCC1=NCCS1 MCULE-6899503116 [0,2,0,0,0,0|1,0,0]=3 2133 B8R1.8 N#C/N=C\1/NCCS1 MCULE-4571931190 [0,2,0,0,0,0|0,0,2]=4 2134 B8R1.8 N#CCC1=NCCN1 MCULE-2337494293 [0,2,0,0,0,0|1,0,1]=4 2135 B8R1.8 N#CN=C1SCCS1 MCULE-7108309330 [0,2,0,0,0,0|1,0,1]=4 2136 B8R1.8 N#CNC1=NN=CS1 MCULE-2308191027 [0,2,0,0,0,0|1,0,1]=4 2137 B8R1.8 N#CNC1NCCS1 MCULE-9513655090 [0,2,0,0,0,0|0,0,2]=4 2138 B8R1.8 NCCC1=NC=CS1 MCULE-1885502417 [0,2,0,0,0,0|0,0,2]=4 2139 B8R1.8 NCCC1=NC=CS1 MCULE-2632865468 [0,2,0,0,0,0|0,0,2]=4 2140 B8R1.8 NCCC1=NC=CS1 MCULE-6577397437 [0,2,0,0,0,0|0,0,2]=4 2141 B8R1.8 NCCC1=NN=CS1 MCULE-7250365364 [0,2,0,0,0,0|1,0,1]=4 2142 B8R1.8 NCCC1=NN=CS1 MCULE-8888123538 [0,2,0,0,0,0|1,0,1]=4 2143 B8R1.8 NCCC1CCCS1 MCULE-7458730281 [0,2,0,0,0,0|1,0,1]=4 2144 B8R1.8 NCCC1CCCS1 MCULE-8525017759 [0,2,0,0,0,0|1,0,1]=4 2145 B8R1.8 NCCC1SCCS1 MCULE-3353609705 [0,2,0,0,0,0|1,0,1]=4 2146 B8R1.8 O=CNC1=NC=CS1 MCULE-8085860935 [0,2,0,0,0,0|0,0,2]=4 2147 B8R1.11 CSC1=NCCN1C MCULE-4965821503 [0,2,0,0,0,0|2,0,0]=4 2148 B8R1.11 CSC1=NCCN1C MCULE-9068098593 [0,2,0,0,0,0|2,0,0]=4 2149 B8R1.11 N#CC1=C(CCC1)N MCULE-8457887126 [0,2,0,0,0,0|2,0,0]=4 2150 B8R1.11 N#CC1=C(OCC1)N MCULE-5262860193 [0,2,0,0,0,0|1,1,0]=4 2151 B8R1.18 CC1=C(N=C(S1)N)Br MCULE-2999589737 [0,2,0,0,0,0|0,0,2]=4 2152 B8R1.18 CC1=C(N=C(S1)N)N MCULE-9776464870 [0,2,0,0,0,0|0,0,2]=4 2153 B8R1.18 CC1=C(N=C(S1)N)O MCULE-6644384383 [0,2,0,0,0,0|0,0,2]=4 2154 B8R1.18 CC1=C(SC(=N1)N)Br MCULE-3157618465 [0,2,0,0,0,0|0,0,2]=4 2155 B8R1.18 CC1=C(SC(=N1)N)Br MCULE-4154539170 [0,2,0,0,0,0|0,0,2]=4 2156 B8R1.18 CC1=C(SC(=N1)N)Br MCULE-9027072250 [0,2,0,0,0,0|0,0,2]=4 2157 B8R1.18 CC1=C(SC(=N1)N)C MCULE-1396918568 [0,2,0,0,0,0|0,0,2]=4 2158 B8R1.18 CC1=C(SC(=N1)N)C MCULE-4575976320 [0,2,0,0,0,0|0,0,2]=4 2159 B8R1.18 CC1=C(SC(=N1)N)C MCULE-5043621594 [0,2,0,0,0,0|0,0,2]=4 2160 B8R1.18 CC1=C(SC(=N1)N)Cl MCULE-4305955616 [0,2,0,0,0,0|0,0,2]=4 2161 B8R1.18 CC1=C(SC(=N1)N)Cl MCULE-9924899473 [0,2,0,0,0,0|0,0,2]=4 2162 B8R1.18 CC1=C(SC(=N1)N)F MCULE-4800862465 [0,2,0,0,0,0|0,0,2]=4 2163 B8R1.18 CC1=C(SC(=N1)N)I MCULE-4304124481 [0,2,0,0,0,0|0,0,2]=4 2164 B8R1.18 CC1=NC(C(S1)C)C MCULE-1424136465 [0,2,0,0,0,0|1,0,0]=3 2165 B8R1.18 CC1SC(=NC1=O)N MCULE-7605573631 [0,2,0,0,0,0|0,0,1]=3 2166 B8R1.18 CN1CC(=O)N=C1N MCULE-2231869894 [0,2,0,0,0,0|1,0,1]=4 2167 B8R1.51 CC1(CN=C(C1)N)C MCULE-2728105590 [0,2,0,0,0,0|1,0,0]=3 2168 B8R1.51 CC1(CN=C(C1)N)C MCULE-9014086278 [0,2,0,0,0,0|1,0,0]=3 2169 B8R1.51 CC1(CN=C(O1)N)C MCULE-6517199560 [0,2,0,0,0,0|0,1,0]=3 2170 B8R1.51 CC1(COC(=N1)N)C MCULE-6966870092 [0,2,0,0,0,0|0,1,0]=3 2171 B8R1.51 CC1(CSC(=S)N1)C MCULE-9871352236 [0,2,0,0,0,0|1,0,1]=4 2172 B8R1.51 CC1=NC(CO1)(C)C MCULE-5229270650 [0,2,0,0,0,0|1,1,0]=4 2173 B8R1.51 CC1=NC(CS1)(C)C MCULE-4639517834 [0,2,0,0,0,0|1,0,0]=3 2174 B8R1.19 CC1(CCN=C1S)C MCULE-9605141691 [0,2,0,0,0,0|2,0,0]=4 2175 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [0,0,1,1,0,0|1,0,0]=3 2176 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [0,0,1,1,0,0|1,0,0]=3 2177 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [0,0,1,1,0,0|1,1,0]=4 2178 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [0,0,1,1,0,0|1,0,1]=4 2179 B6R1.1 C1=NCCCC1 MCULE-7101012273 [0,0,1,1,0,0|2,0,0]=4 2180 B6R1.1 C1=NCCCN1 MCULE-8199642953 [0,0,1,1,0,0|1,0,0]=3 2181 B6R1.1 C1CNCSC1 MCULE-2728084068 [0,0,1,1,0,0|1,0,1]=4 2182 B6R1.1 C1CNCSC1 MCULE-3301332730 [0,0,1,1,0,0|1,0,1]=4 2183 B8R2.23 C1SCC2CC1N2 MCULE-5259589886 [0,0,0,1,0,1|1,0,1]=4 2184 B4R1.1 C1CNC1 MCULE-2817120281 [1,0,0,0,1,0|0,0,2]=4 2185 B4R1.1 C1CNC1 MCULE-5348168818 [1,0,0,0,1,0|0,0,2]=4 2186 B4R1.1 C1COC1 MCULE-4105779148 [1,0,0,0,1,0|0,1,1]=4 2187 B4R1.1 C1CSC1 MCULE-2361125802 [1,0,0,0,1,0|0,0,1]=3 2188 B4R1.2 BrC1CC1 MCULE-3656295609 [0,0,0,0,2,0|1,0,1]=4 2189 B4R1.2 CC1CC1 MCULE-5909419916 [0,0,0,0,2,0|1,0,1]=4 2190 B4R1.2 CC1CS1 MCULE-2534699321 [0,0,0,0,2,0|1,0,1]=4 2191 B4R1.2 IC1CC1 MCULE-6043109265 [0,0,0,0,2,0|1,0,1]=4 2192 B4R1.2 NC1CC1 MCULE-1933360330 [0,0,0,0,2,0|0,0,1]=3 2193 B4R1.2 NC1CC1 MCULE-6187070220 [0,0,0,0,2,0|0,0,1]=3 2194 B4R1.2 OC1CC1 MCULE-8237846154 [0,0,0,0,2,0|1,0,1]=4 2195 B4R1.2 SC1CC1 MCULE-1371610395 [0,0,0,0,2,0|1,0,1]=4 2196 B8R1.22 NC1=NCCCCC1 MCULE-2757008672 [0,0,0,0,0,2|1,0,0]=3 2197 B8R1.22 NC1=NCCCCC1 MCULE-7781415779 [0,0,0,0,0,2|1,0,0]=3 2198 B8R1.22 NC1CCCSCC1 MCULE-1327827987 [0,0,0,0,0,2|1,0,1]=4 2199 B8R1.22 O=C1CCCSCC1 MCULE-9359592851 [0,0,0,0,0,2|2,0,0]=4 2200 B8R1.22 O=C1CCSCCN1 MCULE-9445131358 [0,0,0,0,0,2|1,0,1]=4 2201 B8R1.22 O=C1CSCCSC1 MCULE-5039848738 [0,0,0,0,0,2|2,0,0]=4