0 B14R2.9440 CC(C)CC1CNCc2ccsc21 Amb27448113 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.9440 CC(C)CC1NCCc2ccoc21 Amb32647811 [0,0,0,0,0,0|2,1,0]=3 2 B14R2.9440 CC(C)CC1NCCc2ccsc21 Amb26058071 [0,0,0,0,0,0|2,0,0]=2 3 B14R2.9440 CC(C)CC1NCCc2occc21 Amb32647476 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.9440 CC(C)CC1NCCc2sccc21 Amb17236302 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.9440 CC(C)CC1NCCn2cccc21 Amb19652083 [0,0,0,0,0,0|4,0,0]=4 6 B14R2.9440 CC(C)CC1NCCn2ccnc21 Amb28348732 [0,0,0,0,0,0|4,0,0]=4 7 B14R2.9440 CN(C)CC1NCCc2ccsc21 Amb27610089 [0,0,0,0,0,0|1,0,0]=1 8 B14R2.9440 CN(C)CC1NCCc2occc21 Amb27409136 [0,0,0,0,0,0|3,0,0]=3 9 B14R2.9440 CN(C)NC1CCCc2occc21 Amb27761834 [0,0,0,0,0,0|4,0,0]=4 10 B14R2.9440 CN(C)NC1CCCc2sccc21 Amb28280499 [0,0,0,0,0,0|4,0,0]=4 11 B14R2.9440 NC(=O)CC1NCCc2ccsc21 Amb32647047 [0,0,0,0,0,0|4,0,0]=4 12 B14R2.9440 NC(=O)CC1OCCc2ccsc21 Amb28182813 [0,0,0,0,0,0|3,0,0]=3 13 B14R2.9440 O=C(O)CC1NCCc2ccsc21 Amb18188475 [0,0,0,0,0,0|4,0,0]=4 14 B14R2.9440 O=C(O)CC1OCCc2ccsc21 Amb19319458 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.292 CCCC1CNCc2ccsc21 Amb25045450 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.292 CCCC1NCCc2ccoc21 Amb32647841 [1,0,0,0,0,0|2,1,0]=4 17 B13R2.292 CCCC1NCCc2ccsc21 Amb25699946 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.292 CNCC1CCCc2ccoc21 Amb27638495 [1,0,0,0,0,0|1,1,0]=3 19 B13R2.292 CNCC1CCCc2conc21 Amb27625169 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.292 CNCC1CCCc2ncoc21 Amb27669972 [1,0,0,0,0,0|2,1,0]=4 21 B13R2.292 CNCC1CCCc2ocnc21 Amb27625167 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.292 CNCC1OCCc2ccsc21 Amb27777370 [1,0,0,0,0,0|0,0,0]=1 23 B13R2.292 CNCC1OCCc2sccc21 Amb25773556 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.292 CNC[C@@H]1CCCc2sccc21 Amb27777316 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.292 COCC1NCCc2ccoc21 Amb32647660 [1,0,0,0,0,0|2,1,0]=4 26 B13R2.292 COCC1NCCc2ccsc21 Amb25707376 [1,0,0,0,0,0|2,0,0]=3 27 B13R2.292 OCCC1NCCc2ccsc21 Amb32946711 [1,0,0,0,0,0|3,0,0]=4 28 B15R2.19139 CCC(C)CC1NCCc2ccoc21 Amb32647736 [0,1,0,0,0,0|2,1,0]=4 29 B15R2.19139 CCC(C)CC1NCCc2ccsc21 Amb32646877 [0,1,0,0,0,0|2,0,0]=3 30 B15R2.19139 CNC(=O)CC1NCCc2ccsc21 Amb32647056 [0,1,0,0,0,0|3,0,0]=4 31 B15R2.19845 CC(C)CC1(C)CNCc2ccsc21 Amb27762939 [0,1,0,0,0,0|3,0,0]=4 32 B15R2.19845 CC(C)CC1(C)NCCc2ccoc21 Amb32647805 [0,1,0,0,0,0|2,1,0]=4 33 B15R2.19845 CC(C)CC1(C)NCCc2ccsc21 Amb32646951 [0,1,0,0,0,0|2,0,0]=3 34 B15R2.27931 CC(C)C(C)C1NCCc2ccoc21 Amb32647732 [0,1,0,0,0,0|2,1,0]=4 35 B15R2.27931 CC(C)C(C)C1NCCc2ccsc21 Amb32646871 [0,1,0,0,0,0|2,0,0]=3 36 B15R2.29021 CC(C)(C)CC1NCCc2ccoc21 Amb29872387 [0,1,0,0,0,0|2,1,0]=4 37 B15R2.29021 CC(C)(C)CC1NCCc2ccsc21 Amb32646790 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.343 CN(C)CCCNCc1ccsc1 Amb5262481 [0,0,1,0,0,0|2,0,0]=3 39 B13R1.392 CN(C)CCc1nccn1CCN Amb18335921 [0,0,1,0,0,0|3,0,0]=4 40 B13R1.2800 CCc1ccsc1C(N)C=C(C)C Amb27814502 [0,0,1,0,0,0|2,0,1]=4 41 B13R1.2800 CCc1ccsc1C(O)CC(=O)O Amb32729181 [0,0,1,0,0,0|3,0,0]=4 42 B13R1.2800 CCc1ccsc1[C@@H](O)CC(=O)O Amb33224755 [0,0,1,0,0,0|3,0,0]=4 43 B13R1.2800 CCc1ccsc1[C@H](O)CC(=O)O Amb32729180 [0,0,1,0,0,0|3,0,0]=4 44 B15R3.909 CN1CC2NCc3ccsc3C2C1 Amb18189678 [0,0,0,1,0,0|2,0,0]=3 45 B15R3.2077 CC1CC1C2NCCc3ccoc32 Amb32647998 [0,0,0,1,0,0|2,1,0]=4 46 B15R3.2077 CC1CC1C2NCCc3ccsc32 Amb32647096 [0,0,0,1,0,0|2,0,0]=3 47 B15R3.15029 CC1CC2(C1)NCCc3ccoc32 Amb32647742 [0,0,0,1,0,0|2,1,0]=4 48 B15R3.15029 CC1CC2(C1)NCCc3ccsc32 Amb32646881 [0,0,0,1,0,0|2,0,0]=3 49 B13R2.5569 CC(C)C1CNCc2ccsc21 Amb25042724 [0,0,0,0,1,0|3,0,0]=4 50 B13R2.5569 CC(C)C1NCCc2ccoc21 Amb25943156 [0,0,0,0,1,0|2,1,0]=4 51 B13R2.5569 CC(C)C1NCCc2ccsc21 Amb24710325 [0,0,0,0,1,0|2,0,0]=3 52 B15R2.19753 CC(C)CCC1CNCc2ccsc21 Amb28280827 [0,0,0,0,0,1|3,0,0]=4 53 B15R2.19753 CC(C)CCC1NCCc2ccoc21 Amb32647751 [0,0,0,0,0,1|2,1,0]=4 54 B15R2.19753 CC(C)CCC1NCCc2ccsc21 Amb32646889 [0,0,0,0,0,1|2,0,0]=3 55 B15R2.19753 CC(C)NCC1OCCc2sccc21 Amb25771729 [0,0,0,0,0,1|3,0,0]=4 56 B15R2.68122 CC(C)CC1NCCc2ccccc21 Amb5735602 [0,0,0,0,0,1|3,0,0]=4 57 B15R2.68122 CC(N)CC1OCCc2ccccc21 Amb30010778 [0,0,0,0,0,1|3,0,0]=4 58 B15R2.68122 CN(C)CC1CCCc2ccccc21 Amb27645062 [0,0,0,0,0,1|2,0,0]=3 59 B15R2.68122 CN(C)CC1CCNc2ccccc21 Amb25330618 [0,0,0,0,0,1|3,0,0]=4 60 B15R2.68122 CN(C)CC1CNCc2ccccc21 Amb28146043 [0,0,0,0,0,1|3,0,0]=4 61 B15R2.68122 CN(C)CC1NCCc2ccccc21 Amb18956500 [0,0,0,0,0,1|2,0,0]=3 62 B15R2.68122 CN(O)CC1CCCc2ccccc21 Amb33380003 [0,0,0,0,0,1|3,0,0]=4 63 B12R1.37 CCCCCCCc1ccsc1 Amb8515180 [1,0,1,0,0,0|2,0,0]=4 64 B12R1.37 NCCCOCCc1ccsc1 Amb32953622 [1,0,1,0,0,0|2,0,0]=4 65 B12R1.81 CCc1ccsc1CCC(C)=O Amb32729036 [1,0,1,0,0,0|2,0,0]=4 66 B12R1.81 CCc1ccsc1CCC(C)N Amb32729161 [1,0,1,0,0,0|2,0,0]=4 67 B12R1.81 CCc1ccsc1CCC(C)O Amb32729160 [1,0,1,0,0,0|2,0,0]=4 68 B12R1.81 CCc1ccsc1CC[C@@H](C)N Amb32729157 [1,0,1,0,0,0|2,0,0]=4 69 B12R1.81 CCc1ccsc1CC[C@@H](C)O Amb33224751 [1,0,1,0,0,0|2,0,0]=4 70 B12R1.81 CCc1ccsc1CC[C@H](C)N Amb32729156 [1,0,1,0,0,0|2,0,0]=4 71 B12R1.81 CCc1ccsc1CC[C@H](C)O Amb32729159 [1,0,1,0,0,0|2,0,0]=4 72 B12R1.293 CCOC(OCC)c1cccs1 Amb10067514 [1,0,1,0,0,0|2,0,0]=4 73 B12R1.476 CC(C)CC(CBr)c1cccs1 Amb17258971 [1,0,1,0,0,0|2,0,0]=4 74 B12R1.476 CC(C)CC(CCl)c1cccs1 Amb17237594 [1,0,1,0,0,0|2,0,0]=4 75 B12R1.476 CC(C)CC(CN)c1cccs1 Amb17234036 [1,0,1,0,0,0|2,0,0]=4 76 B12R1.476 CC(C)CC(CO)c1cccs1 Amb17234110 [1,0,1,0,0,0|2,0,0]=4 77 B12R1.476 CN(C)CC(C#N)c1cccs1 Amb17233762 [1,0,1,0,0,0|1,0,1]=4 78 B12R1.476 CN(C)CC(CN)c1cccs1 Amb17234114 [1,0,1,0,0,0|1,0,0]=3 79 B12R1.144 CC(C)CC(O)c1sccc1F Amb27789001 [1,0,1,0,0,0|2,0,0]=4 80 B12R1.144 CN(C)CC(N)c1sccc1Br Amb28423047 [1,0,1,0,0,0|2,0,0]=4 81 B12R1.144 CN(C)CC(O)c1nccn1C Amb27825846 [1,0,1,0,0,0|2,0,0]=4 82 B12R1.144 CN(C)CC(O)c1sccc1Br Amb27168452 [1,0,1,0,0,0|1,0,0]=3 83 B12R1.144 CN(C)CC(O)c1sccc1Cl Amb28193595 [1,0,1,0,0,0|1,0,0]=3 84 B12R1.144 Cc1ccsc1C(C)CC(C)O Amb27775748 [1,0,1,0,0,0|2,0,0]=4 85 B12R1.144 Cc1ccsc1C(N)CC(C)C Amb18979876 [1,0,1,0,0,0|2,0,0]=4 86 B12R1.144 Cc1ccsc1C(N)CC(C)C Amb35745741 [1,0,1,0,0,0|2,0,0]=4 87 B12R1.144 Cc1ccsc1C(O)CC(C)C Amb19057656 [1,0,1,0,0,0|1,0,0]=3 88 B12R1.144 Cc1ccsc1C(O)CC(C)N Amb35583580 [1,0,1,0,0,0|2,0,0]=4 89 B12R1.144 Cc1cocc1C(O)CN(C)C Amb27184901 [1,0,1,0,0,0|2,0,0]=4 90 B12R1.144 Cc1ncsc1C(N)CN(C)C Amb35616613 [1,0,1,0,0,0|2,0,0]=4 91 B12R1.144 Cc1ncsc1C(O)CN(C)C Amb35612919 [1,0,1,0,0,0|1,0,0]=3 92 B12R1.316 C#CCC(O)c1sccc1CC Amb27661498 [1,0,1,0,0,0|1,0,1]=4 93 B12R1.316 CCc1ccsc1C(=O)CNC Amb18823147 [1,0,1,0,0,0|0,0,2]=4 94 B12R1.316 CCc1ccsc1C(O)CC#N Amb32729097 [1,0,1,0,0,0|2,0,0]=4 95 B12R1.316 CCc1ccsc1C(O)CCN Amb33361632 [1,0,1,0,0,0|2,0,0]=4 96 B12R1.316 CCc1ccsc1C(O)CNC Amb18822339 [1,0,1,0,0,0|0,0,0]=2 97 B12R1.316 CCc1ccsc1[C@@H](O)CCN Amb32729164 [1,0,1,0,0,0|2,0,0]=4 98 B12R1.316 CCc1ccsc1[C@H](O)CCN Amb32729179 [1,0,1,0,0,0|2,0,0]=4 99 B12R1.316 CCn1ccnc1C(O)CNC Amb33449091 [1,0,1,0,0,0|2,0,0]=4 100 B12R2.315 CCC1CNCc2ccsc21 Amb26878119 [2,0,0,0,0,0|2,0,0]=4 101 B12R2.315 CCC1NCCc2ccoc21 Amb32647803 [2,0,0,0,0,0|1,1,0]=4 102 B12R2.315 CCC1NCCc2ccsc21 Amb25281361 [2,0,0,0,0,0|1,0,0]=3 103 B12R2.315 CCC1OCCn2cccc21 Amb27945400 [2,0,0,0,0,0|2,0,0]=4 104 B12R2.315 NCC1CCCc2cnsc21 Amb18199189 [2,0,0,0,0,0|2,0,0]=4 105 B12R2.315 NCC1OCCc2ccsc21 Amb20667880 [2,0,0,0,0,0|0,0,0]=2 106 B12R2.315 NCC1OCCc2ccsc21 Amb33482903 [2,0,0,0,0,0|0,0,0]=2 107 B12R2.315 NCC1OCCc2sccc21 Amb2724104 [2,0,0,0,0,0|2,0,0]=4 108 B12R2.315 NCC1OCCc2sccc21 Amb32683433 [2,0,0,0,0,0|2,0,0]=4 109 B12R2.315 NC[C@@H]1OCCc2ccsc21 Amb27976114 [2,0,0,0,0,0|0,0,0]=2 110 B12R2.315 NC[C@H]1OCCc2ccsc21 Amb28055840 [2,0,0,0,0,0|0,0,0]=2 111 B12R2.315 OCC1NCCc2ccsc21 Amb32646939 [2,0,0,0,0,0|2,0,0]=4 112 B14R1.418 CC(NCCCN(C)C)c1ccsc1 Amb19664382 [0,1,1,0,0,0|2,0,0]=4 113 B14R1.3737 CCc1ccsc1C(O)CC(=O)OC Amb32729079 [0,1,1,0,0,0|2,0,0]=4 114 B14R1.3737 CCc1ccsc1[C@@H](O)CC(=O)OC Amb32729080 [0,1,1,0,0,0|2,0,0]=4 115 B14R1.3737 CCc1ccsc1[C@H](O)CC(=O)OC Amb32729081 [0,1,1,0,0,0|2,0,0]=4 116 B14R2.892 CCCCC1NCCc2ccsc21 Amb32646944 [1,1,0,0,0,0|2,0,0]=4 117 B14R2.892 CCNCC1OCCc2sccc21 Amb25075138 [1,1,0,0,0,0|2,0,0]=4 118 B14R2.892 CSCCC1NCCc2ccsc21 Amb32646963 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.9756 CC1(CCO)OCCc2ccsc21 Amb28292207 [1,1,0,0,0,0|2,0,0]=4 120 B14R2.9756 CCCC1(C)NCCc2ccsc21 Amb32646979 [1,1,0,0,0,0|2,0,0]=4 121 B14R2.9756 COCC1(C)NCCc2ccsc21 Amb32647012 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.10782 COC(C)C1NCCc2ccsc21 Amb32646920 [1,1,0,0,0,0|2,0,0]=4 123 B14R2.10893 CCN(C)\N=C1\CCc2ccsc21 Amb27823876 [0,1,0,0,1,0|1,0,1]=4 124 B14R2.9551 CC(C)C1(C)NCCc2ccsc21 Amb32646965 [0,1,0,0,1,0|2,0,0]=4 125 B14R2.15533 CC(C)(C)C1NCCc2ccsc21 Amb32646796 [0,1,0,0,1,0|2,0,0]=4 126 B16R2.49441 CN(C)C(=O)CC1NCCc2ccoc21 Amb32647938 [0,1,0,0,0,1|1,1,0]=4 127 B16R2.49441 CN(C)C(=O)CC1NCCc2ccsc21 Amb32647061 [0,1,0,0,0,1|1,0,0]=3 128 B16R2.79408 CC(C)CC(C)C1NCCc2ccsc21 Amb32646903 [0,1,0,0,0,1|2,0,0]=4 129 B16R2.85377 CC(C)CCC1(C)NCCc2ccsc21 Amb32646954 [0,1,0,0,0,1|2,0,0]=4 130 B16R2.85377 CN(C)CCC1(C)NCCc2ccoc21 Amb32647127 [0,1,0,0,0,1|1,1,0]=4 131 B16R2.85377 CN(C)CCC1(C)NCCc2ccsc21 Amb32647123 [0,1,0,0,0,1|1,0,0]=3 132 B16R2.333 CN(C)CC1c2ccccc2CCN1C Amb17777917 [0,1,0,0,0,1|2,0,0]=4 133 B16R2.21860 COC(C)(C)CC1NCCc2ccsc21 Amb32646878 [0,2,0,0,0,0|2,0,0]=4 134 B16R2.21860 CSC(C)(C)CC1NCCc2ccsc21 Amb32646932 [0,2,0,0,0,0|2,0,0]=4 135 B16R2.26671 COC(CC1NCCc2ccsc21)OC Amb32647036 [0,2,0,0,0,0|2,0,0]=4 136 B16R2.84314 CC(C)(C)CC1(C)NCCc2ccsc21 Amb32646990 [0,2,0,0,0,0|2,0,0]=4 137 B16R2.56546 COC(C(C)C)C1NCCc2ccsc21 Amb32646876 [0,2,0,0,0,0|2,0,0]=4 138 B16R2.80670 CC(C1NCCc2ccsc21)C(C)(C)C Amb32646906 [0,2,0,0,0,0|2,0,0]=4 139 B14R2.252 CN1CCC(CNc2ccsc2)C1 Amb35707590 [0,0,1,1,0,0|2,0,0]=4 140 B14R2.252 CN1CCC(NCc2ccsc2)C1 Amb18978185 [0,0,1,1,0,0|2,0,0]=4 141 B14R2.124 CN1CC(CN)C(c2cccs2)C1 Amb23590031 [0,0,1,1,0,0|2,0,0]=4 142 B14R2.249 CC1CC(C)NC(c2cccs2)C1 Amb33500916 [0,0,1,1,0,0|2,0,0]=4 143 B14R2.249 CC1CN(C)CC(c2nccs2)O1 Amb35610642 [0,0,1,1,0,0|1,0,0]=3 144 B14R2.2863 CNC(c1sccc1C)C2CC2C Amb18321391 [0,0,1,1,0,0|2,0,0]=4 145 B14R2.3554 CCc1ccsc1C2(N)CC2(C)C Amb32729049 [0,0,1,1,0,0|2,0,0]=4 146 B14R3.4146 c1cc2c(s1)C3(CCC3)NCC2 Amb32646985 [1,0,0,1,0,0|2,0,0]=4 147 B14R3.4146 c1cc2c(s1)C3(COC3)NCC2 Amb32647025 [1,0,0,1,0,0|2,0,0]=4 148 B14R3.4146 c1cc2c(s1)C3(CSC3)NCC2 Amb32646849 [1,0,0,1,0,0|2,0,0]=4 149 B14R3.2495 c1cc2c(s1)C(NC3CC3)CC2 Amb27197873 [0,0,0,1,1,0|2,0,0]=4 150 B16R3.5314 CN1CC2NCCc3ccsc3C2C1 Amb18776488 [0,0,0,1,0,1|1,0,0]=3 151 B16R3.6443 c1cc2c(s1)C(CCC3CC3)NCC2 Amb32646904 [0,0,0,1,0,1|2,0,0]=4 152 B16R3.30513 CC1CC2(CO1)NCCc3ccsc32 Amb32646970 [0,0,0,1,0,1|2,0,0]=4 153 B16R3.30513 CC1CC2(CS1)NCCc3ccsc32 Amb32646905 [0,0,0,1,0,1|2,0,0]=4 154 B16R3.30513 CC1CCC2(C1)NCCc3ccsc32 Amb32646988 [0,0,0,1,0,1|2,0,0]=4 155 B16R3.30513 CN1CCC2(C1)NCCc3ccoc32 Amb32647681 [0,0,0,1,0,1|1,1,0]=4 156 B16R3.30513 CN1CCC2(C1)NCCc3ccsc32 Amb32646820 [0,0,0,1,0,1|1,0,0]=3 157 B16R3.104331 CC1(C)CC1C2NCCc3ccsc32 Amb32647088 [0,0,0,1,0,1|2,0,0]=4 158 B16R3.2274 CN1CC2Cc3ccccc3C(C1)N2 Amb28208495 [0,0,0,1,0,1|2,0,0]=4 159 B16R3.27088 CN1Cc2cccc3c2C(C1)NCC3 Amb17506016 [0,0,0,1,0,1|2,0,0]=4 160 B16R3.11020 CN1CCC2NCc3ccsc3C2C1 Amb18776486 [0,1,0,1,0,0|2,0,0]=4 161 B16R3.27291 CC1CC2(NCCc3ccsc32)C1C Amb32646936 [0,1,0,1,0,0|2,0,0]=4 162 B16R3.43554 COC1CC2(C1)NCCc3ccsc32 Amb32646915 [0,1,0,1,0,0|2,0,0]=4 163 B16R3.43554 CSC1CC2(C1)NCCc3ccsc32 Amb32646776 [0,1,0,1,0,0|2,0,0]=4 164 B16R3.101545 CC1(CC2CC2)NCCc3ccsc31 Amb32646842 [0,1,0,1,0,0|2,0,0]=4 165 B16R3.114623 CC1CC1C2(C)NCCc3ccsc32 Amb32646909 [0,1,0,1,0,0|2,0,0]=4 166 B16R3.454662 CC1(C)CC2(C1)NCCc3ccsc32 Amb32646914 [0,1,0,1,0,0|2,0,0]=4 167 B12R1.255 CC(=O)CCCCc1ccsc1 Amb33448717 [0,0,1,0,1,0|2,0,0]=4 168 B12R1.255 CC(C)CCNCc1ccsc1 Amb6692735 [0,0,1,0,1,0|2,0,0]=4 169 B12R1.255 CC(N)CCCCc1ccsc1 Amb33171682 [0,0,1,0,1,0|2,0,0]=4 170 B12R1.255 CC(O)CCCCc1ccsc1 Amb33449445 [0,0,1,0,1,0|2,0,0]=4 171 B12R1.255 CN(C)CCNCc1ccsc1 Amb1139755 [0,0,1,0,1,0|1,0,0]=3 172 B12R1.255 CN(C)CCNCc1ccsc1 Amb6868350 [0,0,1,0,1,0|1,0,0]=3 173 B12R1.255 C[C@@H](N)CCCCc1ccsc1 Amb33321220 [0,0,1,0,1,0|2,0,0]=4 174 B12R1.255 C[C@@H](O)CCCCc1ccsc1 Amb33223692 [0,0,1,0,1,0|2,0,0]=4 175 B12R1.255 C[C@H](N)CCCCc1ccsc1 Amb33321219 [0,0,1,0,1,0|2,0,0]=4 176 B12R1.255 C[C@H](O)CCCCc1ccsc1 Amb33321221 [0,0,1,0,1,0|2,0,0]=4 177 B12R1.295 CN(C)C(CCN)c1cccs1 Amb5758722 [0,0,1,0,1,0|2,0,0]=4 178 B12R1.480 CNC(c1sccc1C)C(C)C Amb19057344 [0,0,1,0,1,0|2,0,0]=4 179 B12R1.480 COC(c1sccc1C)C(C)N Amb18980304 [0,0,1,0,1,0|2,0,0]=4 180 B12R1.480 Cc1ccsc1C(CN)N(C)C Amb1141420 [0,0,1,0,1,0|2,0,0]=4 181 B12R1.480 Cc1ccsc1C(CN)N(C)C Amb13949224 [0,0,1,0,1,0|2,0,0]=4 182 B12R1.80 CCc1ccsc1C(N)C(C)C Amb27779541 [0,0,1,0,1,0|2,0,0]=4 183 B12R1.80 CCc1ccsc1C(O)C(C)C Amb28203212 [0,0,1,0,1,0|1,0,0]=3 184 B12R2.144 CCNC1CCc2ccsc21 Amb27650029 [1,0,0,0,1,0|2,0,0]=4 185 B12R2.144 CNCC1CCc2ccoc21 Amb27419822 [1,0,0,0,1,0|0,1,0]=3 186 B12R2.144 CNCC1CCc2occc21 Amb27963175 [1,0,0,0,1,0|2,0,0]=4 187 B12R2.144 NCCC1CCc2ccsc21 Amb28323538 [1,0,0,0,1,0|2,0,0]=4 188 B14R1.422 CC(C)CCOCCc1ccccc1 Amb22732326 [0,0,1,0,0,1|2,0,0]=4 189 B14R1.422 CN(C)CCNCCc1ccccc1 Amb1136705 [0,0,1,0,0,1|2,0,0]=4 190 B14R1.74 COc1cccc(C(O)CN(C)C)c1 Amb17104289 [0,0,1,0,0,1|2,0,0]=4 191 B14R1.840 COc1ccccc1C(O)CN(C)C Amb17104288 [0,0,1,0,0,1|2,0,0]=4 192 B14R2.7150 CNCC1CCCc2ccccc21 Amb9513978 [1,0,0,0,0,1|2,0,0]=4 193 B14R2.7150 CNCC1NCCc2ccccc21 Amb18956501 [1,0,0,0,0,1|2,0,0]=4 194 B14R2.7150 CNCC1OCCc2ccccc21 Amb33528353 [1,0,0,0,0,1|1,0,0]=3 195 B14R2.7150 CNCC1OCCc2ccccc21 Amb4422666 [1,0,0,0,0,1|1,0,0]=3 196 B14R2.7150 NNCC1OCCc2ccccc21 Amb27483940 [1,0,0,0,0,1|2,0,0]=4 197 B16R2.27401 CC(C)CCCC1NCCc2ccsc21 Amb32647084 [0,0,0,0,0,2|2,0,0]=4 198 B16R2.179941 CN(C)CCC1NCCc2ccccc21 Amb17193934 [0,0,0,0,0,2|2,0,0]=4