0 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,0,0,0,0,0|0,1,1]=2 10 B7R0.16 CC(C)N(C)C(=N)N Z2432659176 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,0,0,0,0,0|1,0,1]=2 13 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.16 CC(Cl)C(=O)N(C)C Z104378282 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.16 CC(O)C(=O)N(C)C Z431951926 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.16 C[C@@H](N)C(=O)N(C)C Z1357774240 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.16 C[C@H](N)C(=O)N(C)C Z1562155926 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,0,0,0,0,0|0,0,3]=4 27 B6R0.2 CC(=CC(=O)N)C Z33546934 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,0,0,0,0,0|0,0,1]=2 29 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.2 CC(=O)CC(C)N Z57329385 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.2 CC(C)CB(O)O Z1098324138 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.2 CC(C)CC(=N)N Z1346385639 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.2 CC(C)CC(=O)N Z33546511 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.2 CC(C)CC(=O)O Z104474910 [1,0,0,0,0,0|0,0,1]=2 35 B6R0.2 CC(C)NC(=N)N Z1650168329 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.2 CC(C)NC(=O)N Z56887677 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.2 CC(C)NC(=S)N Z56979374 [1,0,0,0,0,0|2,1,0]=4 38 B6R0.2 CC(N)CC(=O)N Z594220690 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.2 CC(N)CC(=O)O Z147647144 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.2 CN(C)CC(=O)N Z54750057 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.2 CN(C)CC(=O)O Z235580496 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.3 C#CC(=O)N(C)C Z1509741471 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.3 CC(C)C(=O)NN Z56926537 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.3 CC(C)N(C)C=O Z1258520821 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.3 CC(CN)C(=O)O Z431542704 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.3 CC(CO)C(=O)O Z431541400 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.3 CCC(C)C(=O)N Z270978420 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.3 CCC(C)C(=O)O Z237374874 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.3 CCC(N)C(=O)O Z104495144 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.3 CCC(O)C(=O)N Z965049008 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.3 CCC(O)C(=O)O Z246073650 [1,0,0,0,0,0|0,0,2]=3 56 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.3 CN(C)C(=O)CN Z54751082 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.3 CN(C)C(=O)CO Z431952018 [1,0,0,0,0,0|1,0,1]=3 61 B6R0.3 CNC(=O)C(C)Cl Z104346638 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.3 CNC(=O)C(C)N Z105197440 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.3 CNC(=O)C(C)O Z431951884 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.3 COC(=N)C(C)C Z2944341356 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.3 COC(=O)C(=N)N Z1198220825 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.3 COC(=O)C(C)N Z56968898 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.3 COC(C)C(=O)O Z316258898 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.3 CSC(C)C(=O)O Z149191750 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.3 NC(CO)C(=O)O Z57396986 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.3 NC(CS)C(=O)O Z966690626 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.3 NNC(=O)C(=O)O Z3068042919 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,0,0,0,0,0|1,0,0]=2 81 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,1,0,0,0,0|1,0,2]=4 82 B8R0.2 CC(C)N(C)C(=O)CCl Z147647322 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.2 CCC(=O)N(C)C(C)C Z280750384 [0,1,0,0,0,0|3,0,0]=4 86 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,0,0,0,0|0,0,0]=1 87 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,0,0|1,0,1]=3 88 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.2 CNC(=O)C(N)C(C)C Z1449756432 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.2 CNC(=O)[C@@H](N)C(C)C Z1449756441 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.2 COC(=O)C(Br)C(C)Br Z104508924 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.2 COC(=O)C(N)C(C)C Z2335631495 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.2 COC(=O)C(N)C(C)O Z1695799434 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)F Z4353916280 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,1,0,0,0,0|0,0,2]=3 102 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,1,0,0,0,0|1,0,1]=3 103 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,1,0,0,0,0|0,0,2]=3 104 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,1,0,0,0,0|1,0,1]=3 106 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,1,0,0,0,0|0,0,2]=3 107 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,1,0,0,0,0|0,1,1]=3 109 B8R0.27 C=C(C(=O)O)C(F)(F)F Z826034004 [0,1,0,0,0,0|3,0,0]=4 110 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,1,0,0,0,0|1,0,1]=3 111 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,1,0,0,0,0|0,0,0]=1 113 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,1,0,0,0,0|1,0,1]=3 114 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,1,0,0,0,0|0,0,2]=3 115 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,1,0,0,0,0|1,0,1]=3 117 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,1,0,0,0,0|0,0,2]=3 118 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,1,0,0,0,0|0,0,2]=3 119 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,1,0,0,0,0|1,0,1]=3 120 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,1,0,0,0,0|1,0,1]=3 121 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,1,0,0,0,0|1,0,1]=3 122 B8R0.27 CC(C)C(=O)C(C)(C)C Z513735834 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.27 CN(C)C(=O)C(C)(C)Br Z1278924459 [0,1,0,0,0,0|3,0,0]=4 124 B8R0.27 CN(C)C(=O)C(C)(C)N Z801827676 [0,1,0,0,0,0|3,0,0]=4 125 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,1,0,0,0,0|1,0,2]=4 126 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,1,0,0,0,0|1,0,1]=3 127 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,1,0,0,0,0|0,0,2]=3 128 B8R0.37 CC(C)C(F)(F)C(=O)[O-] Z4020198961 [0,1,0,0,0,0|1,0,2]=4 129 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,1,0,0,0,0|1,0,2]=4 131 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.29 CC1(CN(C1=O)O)C Z4512942627 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,0,0,1,0,0|1,0,1]=3 134 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,0,0,1,0,0|1,0,2]=4 138 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,0,0,1,0,0|0,0,2]=3 139 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,0,0,1,0,0|1,0,1]=3 142 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.50 O=C1OCC(=C1Cl)Cl Z1198160971 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,0,0,1,0,0|1,0,1]=3 145 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,0,0,1,0,0|1,0,2]=4 147 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,0,0,1,0,0|1,0,1]=3 148 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,0,0,1,0,0|0,0,2]=3 149 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,0,0,1,0,0|1,0,1]=3 150 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [0,0,0,0,0,1|1,0,0]=2 151 B8R0.23 CC(=O)CC(=O)N(C)C Z56948269 [0,0,0,0,0,1|2,0,0]=3 152 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,0,0,0,0,1|1,0,1]=3 153 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,0,0,0,0,1|1,0,1]=3 154 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,0,0,0,0,1|0,0,0]=1 155 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,0,0,0,0,1|1,0,1]=3 156 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,0,0,0,0,1|1,0,1]=3 157 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,0,0,0,0,1|1,0,1]=3 158 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,0,0,0,0,1|1,0,1]=3 159 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,0,0,0,0,1|2,0,0]=3 160 B8R0.23 CC(C)NC(=O)C(C)Cl Z85917590 [0,0,0,0,0,1|2,0,1]=4 161 B8R0.23 CC(C)NC(=O)C(C)N Z1449741458 [0,0,0,0,0,1|2,0,1]=4 162 B8R0.23 CC(C)NC(=O)C(C)O Z431951892 [0,0,0,0,0,1|1,0,1]=3 163 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,0,0,0,0,1|1,0,1]=3 164 B8R0.23 CC(C)OC(=O)[C@@H](C)N Z1431904013 [0,0,0,0,0,1|2,0,1]=4 165 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,0,0,0,0,1|1,0,1]=3 166 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,0,0,0,0,1|2,0,1]=4 167 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,0,0,0,0,1|2,0,1]=4 168 B8R0.23 CC(Cl)C(=O)NC(=O)N Z56915885 [0,0,0,0,0,1|2,0,0]=3 169 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,0,0,0,0,1|2,0,1]=4 170 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,0,0,0,0,1|1,0,0]=2 171 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,0,0,0,0,1|1,0,2]=4 172 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,0,0,0,0,1|2,0,1]=4 173 B5R0.1 C/C=C/C(=O)O Z104476026 [2,0,0,0,0,0|0,0,1]=3 174 B5R0.1 CC(C)CCO Z104473558 [2,0,0,0,0,0|0,0,2]=4 175 B5R0.1 CC(C)NC=O Z1201617634 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|1,0,1]=4 177 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|0,0,1]=3 178 B5R0.1 CCOC(=O)N Z33546369 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|1,0,1]=4 180 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|1,0,1]=4 181 B5R0.1 NCCC(=O)O Z57127544 [2,0,0,0,0,0|1,0,1]=4 182 B5R0.1 O=C(O)/C=C/I Z2327124440 [2,0,0,0,0,0|1,0,1]=4 183 B5R0.1 O=C(O)CCCl Z203045320 [2,0,0,0,0,0|1,0,1]=4 184 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.3 CC/C(=N/O)/N Z241067842 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.3 CCC(=O)CC Z104476878 [2,0,0,0,0,0|1,0,1]=4 187 B5R0.3 CCC(=O)CN Z1203579016 [2,0,0,0,0,0|1,0,1]=4 188 B5R0.3 CCC(=O)NN Z56886418 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.3 CCN(C)C=O Z1258520870 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.3 CNC(=O)CO Z431952700 [2,0,0,0,0,0|1,0,1]=4 191 B5R0.3 O=C(CO)CO Z1255442144 [2,0,0,0,0,0|1,0,1]=4 192 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [2,0,0,0,0,0|1,0,1]=4 193 B5R0.5 CC(=O)C(=O)O Z104495240 [2,0,0,0,0,0|0,0,0]=2 194 B5R0.5 CC(=O)C(C)N Z1263529525 [2,0,0,0,0,0|1,0,1]=4 195 B5R0.5 CC(Br)C(=O)O Z57127555 [2,0,0,0,0,0|1,0,0]=3 196 B5R0.5 CC(C)C(=N)N Z381357616 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.5 CC(C)C(=O)N Z57046209 [2,0,0,0,0,0|1,0,0]=3 198 B5R0.5 CC(C)C(=O)O Z104473380 [2,0,0,0,0,0|0,0,0]=2 199 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [2,0,0,0,0,0|1,0,1]=4 200 B5R0.5 CC(Cl)C(=O)N Z56924427 [2,0,0,0,0,0|2,0,0]=4 201 B5R0.5 CC(Cl)C(=O)O Z147646840 [2,0,0,0,0,0|1,0,0]=3 202 B5R0.5 CC(N)C(=O)N Z54749436 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.5 CC(N)C(=O)O Z57396987 [2,0,0,0,0,0|1,0,0]=3 204 B5R0.5 CC(O)C(=O)N Z57206008 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.5 CC(S)C(=O)O Z104477082 [2,0,0,0,0,0|1,0,0]=3 206 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [2,0,0,0,0,0|1,0,0]=3 207 B5R0.5 C[C@H](N)C(=O)N Z359371050 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.5 C[C@H](N)C(=O)O Z756424912 [2,0,0,0,0,0|1,0,0]=3 209 B5R0.5 O=C(O)C(=O)O Z1741978903 [2,0,0,0,0,0|1,0,0]=3 210 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.5 O=C(O)C(F)F Z104474070 [2,0,0,0,0,0|2,0,0]=4 212 B7R0.2 CC(C)NC(=O)CN Z316170536 [1,1,0,0,0,0|2,0,0]=4 213 B7R0.2 CC(C)NC(=O)CO Z431952044 [1,1,0,0,0,0|1,0,0]=3 214 B7R0.2 CC(C)OC(=O)CN Z1245635749 [1,1,0,0,0,0|2,0,0]=4 215 B7R0.2 CC(CN)CC(=O)O Z1436472873 [1,1,0,0,0,0|0,0,1]=3 216 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [1,1,0,0,0,0|0,0,1]=3 217 B7R0.2 CCC(C)CC(=O)O Z352782882 [1,1,0,0,0,0|0,0,1]=3 218 B7R0.2 CCC(C)NC(=O)N Z56979270 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.2 CCC(N)CC(=O)O Z1708090940 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.2 CCN(C)CC(=O)O Z1459897022 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.2 CNC(C)CC(=O)N Z3070230004 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [1,1,0,0,0,0|1,0,1]=4 223 B7R0.2 COC(=O)CC(C)N Z169856728 [1,1,0,0,0,0|1,0,1]=4 224 B7R0.2 COC(C)CC(=O)O Z431536426 [1,1,0,0,0,0|0,0,1]=3 225 B7R0.2 NCC(O)CC(=O)O Z1255390571 [1,1,0,0,0,0|1,0,1]=4 226 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [1,1,0,0,0,0|0,0,1]=3 230 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [1,1,0,0,0,0|0,0,1]=3 232 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [1,1,0,0,0,0|1,0,1]=4 233 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [1,1,0,0,0,0|0,0,1]=3 234 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [1,1,0,0,0,0|0,0,1]=3 235 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [1,1,0,0,0,0|1,0,1]=4 236 B7R0.5 C/C(=C\CO)/C(C)C Z1896171007 [1,1,0,0,0,0|1,0,0]=3 237 B7R0.5 C=C(C)C(=O)OCC Z852747724 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.5 CC(C)C(=O)CC#N Z319444036 [1,1,0,0,0,0|1,0,1]=4 239 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,1,0,0,0,0|1,0,1]=4 241 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,1,0,0,0,0|1,0,1]=4 242 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.5 CCOC(=O)C(=O)C Z104472090 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.5 CCOC(=O)C(=O)N Z104475764 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.5 CN(C)C(=O)CCO Z635883438 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,1,0,0,0,0|1,0,1]=4 250 B7R0.5 COCC(=O)C(C)C Z825742022 [1,1,0,0,0,0|0,0,1]=3 251 B7R0.5 COCC(C)C(=O)O Z431541094 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,1,0,0,0,0|1,0,1]=4 253 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,1,0,0,0,0|1,0,1]=4 254 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,1,0,0,0,0|1,0,1]=4 255 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,1,0,0,0,0|1,0,1]=4 256 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,1,0,0,0,0|1,0,1]=4 257 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,1,0,0,0,0|1,0,1]=4 258 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,1,0,0,0,0|1,0,1]=4 259 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,1,0,0,0,0|0,0,2]=4 260 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,1,0,0,0,0|1,0,1]=4 261 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,1,0,0,0,0|1,0,1]=4 262 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.10 CCC(=O)C(=O)CC Z104472286 [1,1,0,0,0,0|1,0,0]=3 264 B7R0.10 CCC(C)C(=O)CN Z4526173679 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.10 CNC(=O)C(C)CN Z2079695013 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.10 COC(=O)C(C)CN Z1357902409 [1,1,0,0,0,0|2,0,0]=4 267 B7R0.10 COC(=O)C(C)SC Z821313006 [1,1,0,0,0,0|2,0,0]=4 268 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [1,1,0,0,0,0|1,0,1]=4 269 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [1,1,0,0,0,0|1,0,1]=4 270 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [1,1,0,0,0,0|1,0,1]=4 271 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [1,1,0,0,0,0|0,0,2]=4 272 B7R0.14 C=CC(=O)C(C)(C)C Z940201244 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.14 CC(C)(C)/C(=N/O)/N Z278180212 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.14 CC(C)(C)C(=O)CN Z56800493 [1,1,0,0,0,0|1,0,1]=4 275 B7R0.14 CC(C)(C)C(=O)NO Z59181923 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.14 CNC(=O)C(C)(C)N Z1449756243 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.14 COC(=O)C(C)(C)Cl Z1551954570 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.14 COC(=O)C(C)(C)N Z339270984 [1,1,0,0,0,0|2,0,0]=4 279 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.15 CCC(NC)C(=O)O Z818727142 [1,1,0,0,0,0|1,0,1]=4 281 B7R0.15 CCC(OC)C(=O)O Z449367058 [1,1,0,0,0,0|0,0,2]=4 282 B7R0.15 CCC(SC)C(=O)O Z732206700 [1,1,0,0,0,0|0,1,1]=4 283 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [1,1,0,0,0,0|2,0,0]=4 284 B9R0.10 CC(C)(C)C(N)CC(=O)O Z1582263789 [0,1,0,0,0,1|1,0,1]=4 285 B9R0.10 CC(CC(=O)O)C(C)(C)C Z352782682 [0,1,0,0,0,1|1,0,1]=4 286 B9R0.10 CC(CC(=O)O)C(C)(C)N Z3244926252 [0,1,0,0,0,1|1,0,1]=4 287 B9R0.11 CC(C)CC(C)(C)C(=O)O Z995179602 [0,1,0,0,0,1|1,0,1]=4 288 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,1,0,0,0,1|1,0,1]=4 289 B9R0.11 CC(C)OC(C)(C)C(=O)O Z803494892 [0,1,0,0,0,1|1,0,1]=4 290 B9R0.11 CC(C)S(=O)(=O)CC(=O)O Z295402418 [0,1,0,0,0,1|1,0,0]=3 291 B9R0.11 CN(C)S(=O)(=O)CC(=O)O Z351065026 [0,1,0,0,0,1|2,0,0]=4 292 B9R0.23 CC(C)NC(=O)C(=O)NN Z90666851 [0,1,0,0,0,1|1,0,0]=3 293 B9R0.23 CCC(C)C(O)CC(=O)O Z982132268 [0,1,0,0,0,1|0,0,2]=4 294 B9R0.23 COC(=O)C(=O)CC(=O)C Z111869226 [0,1,0,0,0,1|1,0,1]=4 295 B9R0.23 COC(=O)C(N)CC(C)C Z56960272 [0,1,0,0,0,1|1,0,1]=4 296 B9R0.23 COC(=O)C(O)CC(C)C Z965047572 [0,1,0,0,0,1|0,0,2]=4 297 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,1,0,0,0,1|1,0,1]=4 298 B9R0.39 CCC(CC(=O)O)C(C)C Z608350044 [0,1,0,0,0,1|1,0,1]=4 299 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [0,1,0,0,0,1|1,0,1]=4 300 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [0,1,0,0,0,1|1,0,1]=4 301 B9R0.39 COC(CC(C)C)C(=O)O Z1205496164 [0,1,0,0,0,1|0,0,2]=4 302 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,0,0,0,1|1,0,1]=4 303 B9R0.42 CNC(=O)NC(=O)C(C)Cl Z56912099 [0,1,0,0,0,1|2,0,0]=4 304 B9R0.42 COC(=O)NC(=O)C(C)Cl Z104341154 [0,1,0,0,0,1|1,0,0]=3 305 B9R0.57 C/C(=C\C(C)(C)C)/C(=O)O Z1868430509 [0,1,0,0,0,1|1,0,0]=3 306 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,1,0,0,0,1|1,0,1]=4 307 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [0,1,0,0,0,1|0,0,2]=4 308 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,1,0,0,0,1|1,0,1]=4 309 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [0,1,0,0,0,1|1,0,1]=4 310 B9R0.57 CC(CC(C)(C)N)C(=O)O Z1742056030 [0,1,0,0,0,1|1,0,1]=4 311 B9R0.57 CC(O)C(=O)OC(C)(C)C Z1272685061 [0,1,0,0,0,1|1,0,1]=4 312 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,1,0,0,0,1|1,0,1]=4 313 B9R0.79 CC(C)C(N)C(O)C(=O)O Z1203578698 [0,1,0,0,0,1|0,0,2]=4 314 B9R0.79 CC(C)N(O)C(=O)C(=O)O Z1205656969 [0,1,0,0,0,1|0,0,0]=2 315 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [0,2,0,0,0,0|1,0,1]=4 316 B9R0.6 CCOC(=O)C(=C(C)C)F Z1424782014 [0,2,0,0,0,0|1,0,1]=4 317 B9R0.6 CCOC(=O)C(N)C(C)C Z1511495073 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.6 COCC(C)C(C)C(=O)O Z1321942658 [0,2,0,0,0,0|1,0,1]=4 319 B9R0.25 COC(=O)C(N)C(C)(C)C Z2736427680 [0,2,0,0,0,0|1,0,1]=4 320 B9R0.25 COC(=O)C(O)C(C)(C)C Z965047812 [0,2,0,0,0,0|0,0,2]=4 321 B9R0.25 COC(=O)[C@@H](N)C(C)(C)F Z4917184507 [0,2,0,0,0,0|1,0,1]=4 322 B9R0.27 CCC(C)C(N)C(=O)OC Z90123616 [0,2,0,0,0,0|1,0,1]=4 323 B9R0.29 CCC(C)C(NC)C(=O)O Z2472857058 [0,2,0,0,0,0|1,0,1]=4 324 B9R0.29 CNC(C(=O)OC)C(C)C Z3301588022 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Z1205493806 [0,2,0,0,0,0|0,0,2]=4 326 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [0,2,0,0,0,0|1,0,1]=4 327 B9R0.32 CCC(C)(O)C(O)C(=O)O Z1205494592 [0,2,0,0,0,0|0,0,2]=4 328 B9R0.41 CCC(CC)C(N)C(=O)O Z1269638502 [0,2,0,0,0,0|1,0,1]=4 329 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [0,2,0,0,0,0|1,0,1]=4 330 B9R0.33 CCNC(C(=O)O)C(C)C Z1259273177 [0,2,0,0,0,0|1,0,1]=4 331 B9R0.33 CCSC(C(=O)O)C(C)C Z332377408 [0,2,0,0,0,0|0,1,1]=4 332 B9R0.54 CC(C)C(C(=O)O)C(=O)O Z1201617379 [0,2,0,0,0,0|0,0,1]=3 333 B9R0.54 CC(C)C(C(=O)O)C(C)N Z2357417371 [0,2,0,0,0,0|1,0,1]=4 334 B9R0.54 CC(C)C(C(=O)O)N(C)C Z1259273255 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C Z1198175490 [0,2,0,0,0,0|1,0,1]=4 336 B9R0.54 CC(C)[C@H](C(=O)O)N(C)C Z1205495496 [0,2,0,0,0,0|1,0,1]=4 337 B9R0.72 CC(C)(C)C(CO)C(=O)O Z1205656785 [0,2,0,0,0,0|0,0,2]=4 338 B9R0.72 CSC(C(=O)O)C(C)(C)C Z1645899704 [0,2,0,0,0,0|0,1,1]=4 339 B9R0.80 CC(C)(C)C(C)(C)C(=O)O Z1205493736 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.80 CC(C)(F)C(C)(F)C(=O)O Z3463117068 [0,2,0,0,0,0|1,0,1]=4 341 B9R0.80 CC(C)(N)C(C)(C)C(=O)O Z1255523358 [0,2,0,0,0,0|1,0,1]=4 342 B9R0.80 CC(C)(O)C(F)(F)C(=O)O Z982139052 [0,2,0,0,0,0|1,0,1]=4 343 B7R1.2 CC1CCC(=O)N1 Z1250132456 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,0,0,1,0,0|1,0,1]=4 346 B7R1.2 CC1CNC(=O)N1 Z1203730895 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,0,0,1,0,0|1,0,1]=4 349 B7R1.12 CC1CC1C(=O)N Z33546780 [1,0,0,1,0,0|1,0,1]=4 350 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|0,0,1]=3 351 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|0,0,1]=3 352 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [1,0,0,1,0,0|1,0,1]=4 353 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.20 CC(=O)CC1CC1 Z1198160502 [1,0,0,1,0,0|1,0,1]=4 355 B7R1.20 NC(=O)CC1CC1 Z365255854 [1,0,0,1,0,0|1,0,1]=4 356 B7R1.20 NC(=O)NC1CC1 Z57000532 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|0,0,1]=3 358 B7R1.4 C=C1CCOC1=O Z1255438435 [1,0,0,1,0,0|1,0,0]=3 359 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|1,0,1]=4 360 B7R1.4 CC1CCNC1=O Z1198147219 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.4 NC1CCOC1=O Z56921763 [1,0,0,1,0,0|1,0,1]=4 362 B7R1.4 NC1CONC1=O Z336087816 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.4 NN1CCOC1=O Z1198147716 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.4 N[C@H]1CONC1=O Z1201618622 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.17 CC1(CCC1=O)C Z1416192672 [1,0,0,1,0,0|1,0,1]=4 367 B7R1.17 CC1(CNC1=O)C Z425427928 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,1,0,0|1,0,1]=4 369 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,1,0,0|1,0,1]=4 370 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [1,0,0,1,0,0|1,0,1]=4 371 B7R1.19 NC1(CC1)C(=O)O Z235362779 [1,0,0,1,0,0|1,0,1]=4 372 B7R1.19 O=C(O)C1(CC1)O Z216340524 [1,0,0,1,0,0|0,0,2]=4 373 B7R1.22 CC(C=O)C1CC1 Z1263529480 [1,0,0,1,0,0|1,0,1]=4 374 B7R1.22 CNC(=O)C1CC1 Z32016401 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.22 N/C(=N\O)/C1CC1 Z335452744 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.22 NNC(=O)C1CC1 Z56891400 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [1,0,0,1,0,0|1,0,1]=4 378 B7R1.22 O=C(CO)C1CC1 Z1172087188 [1,0,0,1,0,0|0,0,1]=3 379 B7R1.22 O=C(NO)C1CC1 Z59183989 [1,0,0,1,0,0|1,0,0]=3 380 B7R1.23 CC1(CC1C=O)C Z1511745659 [1,0,0,1,0,0|1,0,1]=4 381 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [1,0,0,1,0,0|1,0,1]=4 382 B7R1.23 CC1(OC1C=O)C Z1511743636 [1,0,0,1,0,0|0,0,2]=4 383 B7R1.27 CC1CC1(C)C=O Z1513984691 [1,0,0,1,0,0|1,0,1]=4 384 B9R1.35 CC(C)C1=CSC(=O)N1 Z409413334 [0,0,0,1,0,1|1,1,0]=4 385 B9R1.35 CC(C)C1=NC(=S)ON1 Z2004547729 [0,0,0,1,0,1|1,1,0]=4 386 B9R1.35 CC(C)C1=NNC(=O)C1 Z50146000 [0,0,0,1,0,1|2,0,0]=4 387 B9R1.35 CC(C)C1=NNC(=O)N1 Z2749971780 [0,0,0,1,0,1|2,0,0]=4 388 B9R1.35 CC(C)C1=NNC(=O)O1 Z1198165279 [0,0,0,1,0,1|2,0,0]=4 389 B9R1.35 CC(C)C1=NOC(=C1)N Z56985760 [0,0,0,1,0,1|2,0,0]=4 390 B9R1.35 CC(C)C1=NOC(=N1)N Z991477728 [0,0,0,1,0,1|2,0,0]=4 391 B9R1.35 CC(C)C1=NOC(=N1)O Z1258992424 [0,0,0,1,0,1|1,0,1]=4 392 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,0,0,1,0,1|1,0,0]=3 393 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,1,0,1|1,0,1]=4 394 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,0,0,1,0,1|0,0,2]=4 395 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,0,0,1,0,1|1,0,1]=4 396 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,1|1,0,1]=4 397 B9R1.38 C=C1OC(=O)OC1(C)C Z1201620090 [0,0,0,1,0,1|1,0,0]=3 398 B9R1.38 CC1(CC(=O)NC1=O)C Z384975080 [0,0,0,1,0,1|1,0,0]=3 399 B9R1.38 CC1(NC(=O)CC1=O)C Z1258978079 [0,0,0,1,0,1|1,0,0]=3 400 B9R1.38 CC1(NC(=O)N=C1N)C Z1203586967 [0,0,0,1,0,1|2,0,0]=4 401 B9R1.38 CC1(NC(=O)NC1=O)C Z56766998 [0,0,0,1,0,1|1,0,0]=3 402 B9R1.38 CC1(OC(=O)NC1=O)C Z1255378932 [0,0,0,1,0,1|0,0,0]=2 403 B9R1.38 CC1(SC(=O)NC1=O)C Z1262691814 [0,0,0,1,0,1|0,1,0]=3 404 B9R1.67 CC1CCN1CC(=O)O Z2177030978 [0,0,0,1,0,1|2,0,0]=4 405 B9R1.69 CC1CNC(=O)NC1=O Z55928832 [0,0,0,1,0,1|1,0,0]=3 406 B9R1.69 CN1CCC(=O)NC1=O Z852405042 [0,0,0,1,0,1|2,0,0]=4 407 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [0,0,0,1,0,1|2,0,0]=4 408 B9R1.69 O=C1NCC(C(=O)N1)Br Z119984126 [0,0,0,1,0,1|2,0,0]=4 409 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,0,0,1,0,1|1,0,1]=4 410 B9R1.112 O=C(O)C(=O)NC1CC1 Z424779034 [0,0,0,1,0,1|0,0,0]=2 411 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [0,0,0,1,0,1|1,0,1]=4 412 B9R1.137 C/C(=C\C(=O)O)/C1CC1 Z352747102 [0,0,0,1,0,1|1,0,0]=3 413 B9R1.137 CC(CC(=O)O)C1CC1 Z352782228 [0,0,0,1,0,1|1,0,1]=4 414 B9R1.137 CN(CC(=O)O)C1CC1 Z409100214 [0,0,0,1,0,1|2,0,0]=4 415 B9R1.137 NC(CC(=O)O)C1CC1 Z975824848 [0,0,0,1,0,1|1,0,1]=4 416 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,0,0,1,0,1|1,0,1]=4 417 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [0,0,0,1,0,1|1,0,1]=4 418 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [0,0,0,1,0,1|1,0,1]=4 419 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,0,0,1,0,1|1,0,1]=4 420 B9R1.3 CN1CCNC(=O)C1=O Z1037603248 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.41 CC(C)C1=CON=C1N Z1707473656 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.41 CC(C)C1=NON=C1N Z359374182 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [0,1,0,1,0,0|1,0,1]=4 424 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,1,0,1,0,0|1,0,1]=4 425 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [0,1,0,1,0,0|1,0,1]=4 426 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [0,1,0,1,0,0|1,0,1]=4 427 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [0,1,0,1,0,0|1,0,1]=4 428 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [0,1,0,1,0,0|1,0,1]=4 429 B9R1.101 CN(C(=O)CO)C1CC1 Z820676070 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.101 COC(=O)C(O)C1CC1 Z965047816 [0,1,0,1,0,0|0,0,2]=4 431 B9R1.110 CC(=C1CCC1)C(=O)O Z1341746422 [0,1,0,1,0,0|1,0,1]=4 432 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [0,1,0,1,0,0|1,0,1]=4 433 B9R1.110 CC(C(=O)O)C1CNC1 Z1741794178 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,1,0,1,0,0|1,0,1]=4 435 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [0,1,0,1,0,0|0,0,2]=4 436 B9R1.111 CC(C(=O)O)C1(CC1)N Z2327568962 [0,1,0,1,0,0|1,0,1]=4 437 B9R1.111 CC1(CC1)C(N)C(=O)O Z2940229290 [0,1,0,1,0,0|1,0,1]=4 438 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [0,1,0,1,0,0|1,0,1]=4 439 B9R1.132 N[C@H]1C(=O)OC[C@H]1CO Z4342606943 [0,1,0,1,0,0|1,0,1]=4 440 B9R1.138 CC1(COC(=O)C1N)C Z2092370679 [0,1,0,1,0,0|1,0,1]=4 441 B9R1.138 CC1(COC(=O)[C@@H]1O)C Z1065885480 [0,1,0,1,0,0|0,0,2]=4 442 B9R1.188 COC(=O)[C@]1(C[C@H]1C)N Z4178104558 [0,1,0,1,0,0|1,0,1]=4 443 B9R1.130 CC1CC1(C#N)C(=O)O Z1650185273 [0,1,0,1,0,0|1,0,1]=4 444 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [0,1,0,1,0,0|1,0,1]=4 445 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [0,1,0,1,0,0|1,0,1]=4 447 B9R1.168 CC(C)C1(CC1)C(=O)O Z1205498035 [0,1,0,1,0,0|1,0,1]=4 448 B9R1.165 CC(C)(C(=O)O)C1CC1 Z1205494855 [0,1,0,1,0,0|1,0,1]=4 449 B9R1.165 CC(N)(C(=O)O)C1CC1 Z1250132714 [0,1,0,1,0,0|1,0,1]=4 450 B9R1.165 CC(O)(C(=O)O)C1CC1 Z788000400 [0,1,0,1,0,0|0,0,2]=4 451 B9R1.165 O=C(O)C(F)(F)C1CC1 Z1791408651 [0,1,0,1,0,0|1,0,1]=4 452 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [1,0,0,0,0,1|0,0,1]=3 453 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,0,1|0,0,1]=3 454 B7R0.6 CC(C)CNC(=O)N Z56895708 [1,0,0,0,0,1|1,0,1]=4 455 B7R0.6 CC(C)NCC(=O)N Z56969693 [1,0,0,0,0,1|1,0,1]=4 456 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,0,0,0,1|0,0,1]=3 457 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,0,0,0,0,1|0,0,1]=3 458 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,0,0,0,0,1|0,0,1]=3 459 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,0,0,0,0,1|1,0,1]=4 460 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,0,0,0,1|1,0,1]=4 461 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,0,0,0,1|1,0,1]=4 462 B9R0.7 C=C(CCN(C)C)C(=O)O Z2582507950 [0,0,0,0,0,2|2,0,0]=4 463 B9R0.7 CC(=O)NCC(=O)N(C)C Z32014369 [0,0,0,0,0,2|2,0,0]=4 464 B9R0.7 CC(C)C(=O)NCC(=O)O Z85886685 [0,0,0,0,0,2|0,0,0]=2 465 B9R0.7 CC(C)C(N)CCC(=O)O Z4607148563 [0,0,0,0,0,2|1,0,1]=4 466 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,0,0,0,0,2|1,0,1]=4 467 B9R0.7 CC(C)COC(=O)C(C)O Z1198162798 [0,0,0,0,0,2|1,0,1]=4 468 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [0,0,0,0,0,2|1,0,1]=4 469 B9R0.7 CC(S)C(=O)NCC(=O)O Z2681891170 [0,0,0,0,0,2|1,0,0]=3 470 B9R0.7 CN(C)C(=O)CCC(=O)O Z270759422 [0,0,0,0,0,2|1,0,0]=3 471 B9R0.7 O=C(O)C(=O)NCC(F)F Z1493061625 [0,0,0,0,0,2|2,0,0]=4 472 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [0,0,0,0,0,2|1,0,1]=4 473 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,0,0,0,0,2|1,0,1]=4 474 B9R0.53 CC(C)OC(=O)CC(=S)N Z330914786 [0,0,0,0,0,2|1,1,0]=4