0 B14R2.3 CCCNC1COc2c1cccc2 AIFCHEM-94569023180 [0,0,0,0,0,0|1,0,2]=3 1 B14R2.3 FCCNC1CCc2c1nccc2 AIFCHEM-5827498576 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.3 OCCNC1CCc2c1ccnc2 AIFCHEM-94577778503 [0,0,0,0,0,0|2,0,1]=3 3 B14R2.3 OCCNC1CCc2c1nccc2 AIFCHEM-94577778241 [0,0,0,0,0,0|2,0,1]=3 4 B15R2.4 C#CC(=O)NC1CCc2c1cccc2 AIFCHEM-94525198096 [0,1,0,0,0,0|0,0,1]=2 5 B15R2.4 C#CC(=O)N[C@@H]1CCc2c1cccc2 AIFCHEM-94525190761 [0,1,0,0,0,0|0,0,1]=2 6 B15R2.4 C#CC(=O)N[C@H]1CCc2c1cccc2 AIFCHEM-94525200518 [0,1,0,0,0,0|0,0,1]=2 7 B15R2.4 CC(CF)NC1CCc2c1nccc2 AIFCHEM-6127384670 [0,1,0,0,0,0|2,0,1]=4 8 B15R2.4 CC(CO)NC1CCc2c1nccc2 AIFCHEM-6411932290 [0,1,0,0,0,0|2,0,1]=4 9 B15R2.4 C[C@@H](CF)NC1CCc2c1nccc2 AIFCHEM-6081952260 [0,1,0,0,0,0|2,0,1]=4 10 B15R2.4 C[C@@H](CO)NC1CCc2c1nccc2 AIFCHEM-6437122816 [0,1,0,0,0,0|2,0,1]=4 11 B15R2.4 C[C@H](CF)NC1CCc2c1nccc2 AIFCHEM-6089559559 [0,1,0,0,0,0|2,0,1]=4 12 B15R2.4 C[C@H](CO)NC1CCc2c1nccc2 AIFCHEM-6414632219 [0,1,0,0,0,0|2,0,1]=4 13 B15R2.5 CSCCNC1CCc2c1nccc2 AIFCHEM-94598921658 [0,1,0,0,0,0|1,0,2]=4 14 B15R2.5 OCCCNC1CCc2c1nccc2 AIFCHEM-94523163326 [0,1,0,0,0,0|1,0,2]=4 15 B15R2.65 CCCNC1CCc2c1cccc2C AIFCHEM-94569011054 [0,1,0,0,0,0|0,0,2]=3 16 B15R2.1385 FCCNC1CCc2c1ccc(c2)Br AIFCHEM-5871259116 [0,1,0,0,0,0|1,0,1]=3 17 B15R2.17719 CCCNC1CCc2c1cc(cc2)Cl AIFCHEM-94582117365 [0,1,0,0,0,0|0,0,2]=3 18 B15R2.17719 CCCN[C@@H]1COc2c1cc(cc2)F AIFCHEM-94569013519 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.26 CCCNC(CC)c1ccccn1 AIFCHEM-94521368961 [0,0,1,0,0,0|1,0,2]=4 20 B13R1.28 CCCNCCCc1ccccc1 AIFCHEM-5790560469 [0,0,1,0,0,0|0,0,2]=3 21 B13R1.28 N#CCNCCCc1ccccc1 AIFCHEM-94558702083 [0,0,1,0,0,0|1,0,0]=2 22 B13R1.84 CCCNCc1ccccc1SC AIFCHEM-5814717498 [0,0,1,0,0,0|1,0,2]=4 23 B13R1.84 CCc1ccccc1CNCCF AIFCHEM-5800420999 [0,0,1,0,0,0|1,0,1]=3 24 B13R1.84 CCc1ccccc1CNCCO AIFCHEM-94577777688 [0,0,1,0,0,0|1,0,1]=3 25 B13R1.84 COc1ccccc1CNCC#N AIFCHEM-94558703113 [0,0,1,0,0,0|2,0,0]=3 26 B13R1.84 COc1ccccc1CNCCO AIFCHEM-6431947357 [0,0,1,0,0,0|2,0,1]=4 27 B13R1.84 CSc1ccccc1CNCCF AIFCHEM-5827248959 [0,0,1,0,0,0|2,0,1]=4 28 B13R1.674 C#CCNC(=O)c1ccccc1Cl AIFCHEM-94562153466 [0,0,1,0,0,0|2,0,1]=4 29 B13R1.674 CC(NCCO)c1ccccc1O AIFCHEM-94577775615 [0,0,1,0,0,0|2,0,1]=4 30 B13R1.674 CCCNC(C)c1ccccc1Br AIFCHEM-94569009466 [0,0,1,0,0,0|1,0,2]=4 31 B13R1.674 CCCNC(C)c1ccccc1F AIFCHEM-94569022140 [0,0,1,0,0,0|1,0,2]=4 32 B13R1.674 CCCNC(C)c1ccccc1O AIFCHEM-94569023871 [0,0,1,0,0,0|1,0,2]=4 33 B13R1.674 CCCN[C@@H](C)c1ccccc1Br AIFCHEM-94569010019 [0,0,1,0,0,0|1,0,2]=4 34 B13R1.674 CCCN[C@@H](C)c1ccccc1F AIFCHEM-94569011627 [0,0,1,0,0,0|1,0,2]=4 35 B13R1.674 CCCN[C@@H](C)c1ccccc1O AIFCHEM-94543548893 [0,0,1,0,0,0|1,0,2]=4 36 B13R1.674 CCCN[C@H](C)c1ccccc1Br AIFCHEM-94569009469 [0,0,1,0,0,0|1,0,2]=4 37 B13R1.674 CCCN[C@H](C)c1ccccc1F AIFCHEM-94606296364 [0,0,1,0,0,0|1,0,2]=4 38 B13R1.674 CCCN[C@H](C)c1ccccc1O AIFCHEM-94569010819 [0,0,1,0,0,0|1,0,2]=4 39 B15R3.1737 c1cnc2c(c1)CCC2NC3CC3 AIFCHEM-94573315516 [0,0,0,1,0,0|1,0,2]=4 40 B15R2.352 CCCNC1CCc2ccccc2C1 AIFCHEM-94583281049 [0,0,0,0,0,1|0,0,2]=3 41 B15R2.18471 CCCNC1CCCc2c1ccnc2 AIFCHEM-94569010903 [0,0,0,0,0,1|1,0,2]=4 42 B15R2.18471 CCCNC1CCCc2c1nccc2 AIFCHEM-94569010005 [0,0,0,0,0,1|1,0,2]=4 43 B15R2.18471 CCCNC1CCOc2c1cccc2 AIFCHEM-94530771556 [0,0,0,0,0,1|0,0,2]=3 44 B15R2.18471 CCCN[C@@H]1CCOc2c1cccc2 AIFCHEM-94569021971 [0,0,0,0,0,1|0,0,2]=3 45 B15R2.18471 CCCN[C@H]1CCCc2c1nccc2 AIFCHEM-94569023250 [0,0,0,0,0,1|1,0,2]=4 46 B15R2.18471 CCCN[C@H]1CCOc2c1cccc2 AIFCHEM-94568663283 [0,0,0,0,0,1|0,0,2]=3 47 B15R2.18471 OCCNC1CCCc2c1cccc2 AIFCHEM-94577779362 [0,0,0,0,0,1|1,0,1]=3 48 B12R1.3 CCNC(CC)c1ccccn1 AIFCHEM-94537413631 [1,0,1,0,0,0|1,0,1]=4 49 B12R1.3 CCNC(CC)c1ccncc1 AIFCHEM-94537423405 [1,0,1,0,0,0|1,0,1]=4 50 B12R1.8 CCNCCCc1cccnc1 AIFCHEM-94537421400 [1,0,1,0,0,0|1,0,1]=4 51 B12R1.267 Cc1ccncc1CNCC#N AIFCHEM-94558706149 [1,0,1,0,0,0|2,0,0]=4 52 B12R1.267 Cc1cnccc1CNCC#N AIFCHEM-94558707473 [1,0,1,0,0,0|2,0,0]=4 53 B12R1.267 N#CCNCc1ccccc1Br AIFCHEM-94558707092 [1,0,1,0,0,0|2,0,0]=4 54 B12R1.267 N#CCNCc1ccccc1F AIFCHEM-94558705901 [1,0,1,0,0,0|2,0,0]=4 55 B12R1.267 N#CCNCc1ccccc1O AIFCHEM-94532467514 [1,0,1,0,0,0|2,0,0]=4 56 B12R1.308 CCNC(C)c1ccccc1O AIFCHEM-94537426788 [1,0,1,0,0,0|1,0,1]=4 57 B12R1.308 CCN[C@@H](C)c1ccccc1O AIFCHEM-94543553652 [1,0,1,0,0,0|1,0,1]=4 58 B12R1.308 CCN[C@H](C)c1ccccc1O AIFCHEM-94537413736 [1,0,1,0,0,0|1,0,1]=4 59 B14R1.22 CCC(NCCF)c1cccc(c1)Br AIFCHEM-94588513813 [0,1,1,0,0,0|1,0,1]=4 60 B14R1.22 CCC(NCCO)c1cccc(c1)Br AIFCHEM-94577777321 [0,1,1,0,0,0|1,0,1]=4 61 B14R1.22 CCC(NCCO)c1cccc(c1)C AIFCHEM-94577779285 [0,1,1,0,0,0|1,0,1]=4 62 B14R1.121 CCC(CNCCO)c1ccccc1 AIFCHEM-6412009773 [0,1,1,0,0,0|1,0,1]=4 63 B14R1.121 CCCCN[C@@H](CC)c1ccccc1 AIFCHEM-94523037270 [0,1,1,0,0,0|0,0,2]=4 64 B14R1.121 CCCCN[C@H](CC)c1ccccc1 AIFCHEM-94523036340 [0,1,1,0,0,0|0,0,2]=4 65 B14R1.540 CC[C@@H](NCC(C)C)c1ccccc1 AIFCHEM-94572979364 [0,1,1,0,0,0|0,0,2]=4 66 B14R1.540 CC[C@H](NCC(C)C)c1ccccc1 AIFCHEM-94572980294 [0,1,1,0,0,0|0,0,2]=4 67 B14R1.3111 CCC(NCCO)c1ccccc1O AIFCHEM-6411742979 [0,1,1,0,0,0|1,0,1]=4 68 B14R1.3111 CCCN[C@@H](CC)c1ccccc1F AIFCHEM-94519915766 [0,1,1,0,0,0|0,0,2]=4 69 B14R1.3297 C#CC(=O)NC(CC)c1cccnc1 AIFCHEM-94568599057 [0,1,1,0,0,0|1,0,1]=4 70 B14R1.14 CCCNCCCc1ccc(cc1)Cl AIFCHEM-94579099983 [0,1,1,0,0,0|0,0,2]=4 71 B14R1.14 FCCNCCCc1ccc(cc1)Br AIFCHEM-5853504085 [0,1,1,0,0,0|1,0,1]=4 72 B14R1.14 FCCNCCCc1ccc(cc1)F AIFCHEM-94553839009 [0,1,1,0,0,0|1,0,1]=4 73 B14R1.14 N#CCNCCCc1ccc(cc1)F AIFCHEM-94553840546 [0,1,1,0,0,0|1,0,0]=3 74 B14R1.14 OCCNCCCc1ccc(cc1)F AIFCHEM-94553834983 [0,1,1,0,0,0|1,0,1]=4 75 B14R1.26 CCCNCCCc1cccc(c1)Cl AIFCHEM-94569014443 [0,1,1,0,0,0|0,0,2]=4 76 B14R1.123 CCCNCCCCc1ccccc1 AIFCHEM-94569017090 [0,1,1,0,0,0|0,0,2]=4 77 B14R1.123 CCCNCCCOc1ccccc1 AIFCHEM-94569022273 [0,1,1,0,0,0|0,0,2]=4 78 B14R1.123 CSCCNCCCc1ccccc1 AIFCHEM-94598918608 [0,1,1,0,0,0|0,0,2]=4 79 B14R1.123 N#CCCNCCCc1ccccc1 AIFCHEM-5719518444 [0,1,1,0,0,0|0,0,1]=3 80 B14R1.156 C#CCNC(=O)CCc1ccncc1 AIFCHEM-94588320305 [0,1,1,0,0,0|1,0,1]=4 81 B14R1.520 CN(CC#N)CCCc1ccccc1 AIFCHEM-94589145088 [0,1,1,0,0,0|1,0,0]=3 82 B14R1.520 CN(CCO)CCCc1ccccc1 AIFCHEM-6389686628 [0,1,1,0,0,0|1,0,1]=4 83 B14R1.96 CCc1ccccc1CNCC(=O)O AIFCHEM-94542883582 [0,1,1,0,0,0|1,0,1]=4 84 B14R1.96 CCc1ccccc1CNCC(C)C AIFCHEM-94563721327 [0,1,1,0,0,0|0,0,2]=4 85 B14R1.96 CCc1ccccc1CNCC(F)F AIFCHEM-5987493629 [0,1,1,0,0,0|1,0,1]=4 86 B14R1.461 CCCNCc1ccc(cc1CC)Br AIFCHEM-94521366084 [0,1,1,0,0,0|0,0,2]=4 87 B14R1.461 CCCNCc1ccc(cc1CC)Cl AIFCHEM-94521365851 [0,1,1,0,0,0|0,0,2]=4 88 B14R1.461 CCc1cc(ccc1CNCC#N)Cl AIFCHEM-94558702096 [0,1,1,0,0,0|1,0,0]=3 89 B14R1.461 CCc1cc(ccc1CNCCF)Cl AIFCHEM-5853689725 [0,1,1,0,0,0|1,0,1]=4 90 B14R1.461 COc1cc(ccc1CNCC#N)Cl AIFCHEM-94558706311 [0,1,1,0,0,0|2,0,0]=4 91 B14R1.461 COc1cc(ccc1CNCC#N)F AIFCHEM-94558705913 [0,1,1,0,0,0|2,0,0]=4 92 B14R1.476 CCc1ccccc1CNCCCO AIFCHEM-6421060687 [0,1,1,0,0,0|0,0,2]=4 93 B14R1.476 CCc1ccccc1CNCCSC AIFCHEM-94598921105 [0,1,1,0,0,0|0,0,2]=4 94 B14R1.883 COc1ccc(cc1CNCC#N)C AIFCHEM-94558707311 [0,1,1,0,0,0|2,0,0]=4 95 B14R1.939 C#CCNC(=O)c1ccccc1SC AIFCHEM-94588318486 [0,1,1,0,0,0|1,0,1]=4 96 B14R1.3381 COc1cccc(c1CNCC#N)O AIFCHEM-94558707268 [0,1,1,0,0,0|2,0,0]=4 97 B14R1.3619 COc1c(cccc1CNCC#N)Br AIFCHEM-94558708020 [0,1,1,0,0,0|2,0,0]=4 98 B14R1.16 C#CCNC(=O)c1cccc(c1C)C AIFCHEM-94588320093 [0,1,1,0,0,0|1,0,1]=4 99 B14R1.16 C#CCNC(=O)c1cccc(c1C)I AIFCHEM-6196065294 [0,1,1,0,0,0|1,0,1]=4 100 B14R1.16 C#CCNC(=O)c1cccc(c1C)O AIFCHEM-6220622171 [0,1,1,0,0,0|1,0,1]=4 101 B14R1.587 C#CC(=O)NC(C)c1ccccc1Br AIFCHEM-94525191414 [0,1,1,0,0,0|1,0,1]=4 102 B14R1.587 C#CC(=O)NC(C)c1ccccc1O AIFCHEM-94525203147 [0,1,1,0,0,0|1,0,1]=4 103 B14R1.587 C#CC(=O)N[C@@H](C)c1ccccc1Br AIFCHEM-94525191904 [0,1,1,0,0,0|1,0,1]=4 104 B14R1.587 C#CC(=O)N[C@@H](C)c1ccccc1O AIFCHEM-94525193239 [0,1,1,0,0,0|1,0,1]=4 105 B14R1.587 C#CC(=O)N[C@H](C)c1ccccc1Br AIFCHEM-94525191902 [0,1,1,0,0,0|1,0,1]=4 106 B14R1.587 C#CC(=O)N[C@H](C)c1ccccc1O AIFCHEM-94525192571 [0,1,1,0,0,0|1,0,1]=4 107 B14R1.918 C#CCNC(=O)c1cc(ccc1C)O AIFCHEM-6220907791 [0,1,1,0,0,0|1,0,1]=4 108 B14R1.3348 C#CCC(=O)N(C)c1ccccc1C AIFCHEM-94586636556 [0,1,1,0,0,0|2,0,0]=4 109 B14R1.3348 C#CCN(C)C(=O)c1ccccc1C AIFCHEM-5644976434 [0,1,1,0,0,0|1,0,1]=4 110 B14R2.7 CCNC1CCc2c1cccc2C AIFCHEM-94537413971 [1,1,0,0,0,0|0,0,1]=3 111 B14R2.6419 CCNC1CCc2c1cc(cc2)Cl AIFCHEM-94582122124 [1,1,0,0,0,0|0,0,1]=3 112 B16R2.477 CC(O)CNC1CCc2ccccc2C1 AIFCHEM-94583294489 [0,1,0,0,0,1|0,0,2]=4 113 B16R2.477 C[C@@H](O)CNC1CCc2ccccc2C1 AIFCHEM-94583288752 [0,1,0,0,0,1|0,0,2]=4 114 B16R2.477 C[C@H](O)CNC1CCc2ccccc2C1 AIFCHEM-94583288753 [0,1,0,0,0,1|0,0,2]=4 115 B16R2.477 FC(F)CNC1CCc2ccccc2C1 AIFCHEM-94583294644 [0,1,0,0,0,1|1,0,1]=4 116 B16R2.767 CN(CCO)C1CCc2ccccc2C1 AIFCHEM-94583281179 [0,1,0,0,0,1|1,0,1]=4 117 B16R2.1285 Oc1ccc2c(c1)CC(CC2)NCCF AIFCHEM-5853510917 [0,1,0,0,0,1|1,0,1]=4 118 B16R2.2441 CSCCNC1CCc2ccccc2C1 AIFCHEM-94583286416 [0,1,0,0,0,1|0,0,2]=4 119 B16R2.2441 N#CCCNC1CCc2ccccc2C1 AIFCHEM-94583284969 [0,1,0,0,0,1|0,0,1]=3 120 B16R2.2441 N#CCCNC1CSc2ccccc2C1 AIFCHEM-94587013908 [0,1,0,0,0,1|1,0,1]=4 121 B16R2.2441 O=COCNC1CCc2ccccc2C1 AIFCHEM-94583292700 [0,1,0,0,0,1|1,0,1]=4 122 B16R2.5347 C#CC(=O)NC1COc2ccccc2C1 AIFCHEM-94525195502 [0,1,0,0,0,1|1,0,1]=4 123 B16R2.5347 C#CC(=O)N[C@@H]1COc2ccccc2C1 AIFCHEM-94525196282 [0,1,0,0,0,1|1,0,1]=4 124 B16R2.5347 C#CC(=O)N[C@H]1COc2ccccc2C1 AIFCHEM-94525196281 [0,1,0,0,0,1|1,0,1]=4 125 B16R2.5347 CC(CO)NC1CCc2ccccc2C1 AIFCHEM-94583292685 [0,1,0,0,0,1|1,0,1]=4 126 B16R2.5347 C[C@@H](CO)NC1CCc2ccccc2C1 AIFCHEM-94583288681 [0,1,0,0,0,1|1,0,1]=4 127 B16R2.5347 C[C@H](CO)NC1CCc2ccccc2C1 AIFCHEM-94583289748 [0,1,0,0,0,1|1,0,1]=4 128 B16R2.30336 CCCNC1CCc2cc(ccc2C1)Br AIFCHEM-94538897014 [0,1,0,0,0,1|0,0,2]=4 129 B16R2.30336 CCCNC1CCc2cc(ccc2C1)F AIFCHEM-5792640742 [0,1,0,0,0,1|0,0,2]=4 130 B16R2.30336 N#CCNC1CCc2cc(ccc2C1)O AIFCHEM-94553737316 [0,1,0,0,0,1|1,0,0]=3 131 B16R2.30336 OCCNC1CCc2cc(ccc2C1)F AIFCHEM-6389555627 [0,1,0,0,0,1|1,0,1]=4 132 B16R2.30336 Oc1ccc2c(c1)CCC(C2)NCCF AIFCHEM-94553736524 [0,1,0,0,0,1|1,0,1]=4 133 B16R2.958 CCCNC1CCOc2c1ccc(c2)F AIFCHEM-94569014587 [0,1,0,0,0,1|0,0,2]=4 134 B16R2.958 OCCNC1CCCc2c1ccc(c2)Cl AIFCHEM-94577777972 [0,1,0,0,0,1|1,0,1]=4 135 B16R2.963 CCCNC1CCOc2c1cccc2Br AIFCHEM-94569023668 [0,1,0,0,0,1|0,0,2]=4 136 B16R2.963 CCCNC1CCOc2c1cccc2Cl AIFCHEM-94569022381 [0,1,0,0,0,1|0,0,2]=4 137 B16R2.963 CCCN[C@@H]1CCOc2c1cccc2Br AIFCHEM-94569010421 [0,1,0,0,0,1|0,0,2]=4 138 B16R2.963 CCCN[C@@H]1CCOc2c1cccc2C AIFCHEM-94569010430 [0,1,0,0,0,1|0,0,2]=4 139 B16R2.963 CCCN[C@H]1CCOc2c1cccc2C AIFCHEM-94569014210 [0,1,0,0,0,1|0,0,2]=4 140 B16R2.32142 CCCNC1CCOc2c1cc(cc2)F AIFCHEM-94569014589 [0,1,0,0,0,1|0,0,2]=4 141 B16R2.32142 CCCN[C@@H]1CCOc2c1cc(cc2)F AIFCHEM-94569024057 [0,1,0,0,0,1|0,0,2]=4 142 B16R2.32142 CCCN[C@H]1CCOc2c1cc(cc2)F AIFCHEM-94569011074 [0,1,0,0,0,1|0,0,2]=4 143 B16R2.32142 OCCNC1CCOc2c1cc(cc2)Br AIFCHEM-6470253960 [0,1,0,0,0,1|1,0,1]=4 144 B16R2.179941 CC(C)CNC1CCOc2c1cccc2 AIFCHEM-94572986224 [0,1,0,0,0,1|0,0,2]=4 145 B16R2.179941 CC(C)CN[C@@H]1CCOc2c1cccc2 AIFCHEM-94572984225 [0,1,0,0,0,1|0,0,2]=4 146 B16R2.179941 CC(C)CN[C@H]1CCOc2c1cccc2 AIFCHEM-94572970968 [0,1,0,0,0,1|0,0,2]=4 147 B16R2.179941 CC(O)CNC1CCCc2c1cccc2 AIFCHEM-94558284426 [0,1,0,0,0,1|0,0,2]=4 148 B16R2.5 C#CCC(=O)NC1CCc2c1cccc2 AIFCHEM-94557420892 [0,2,0,0,0,0|0,0,0]=2 149 B16R2.5 C#CCC(=O)N[C@@H]1CCc2c1cccc2 AIFCHEM-6082883210 [0,2,0,0,0,0|0,0,0]=2 150 B16R2.5 C#CCC(=O)N[C@H]1CCc2c1cccc2 AIFCHEM-5633378923 [0,2,0,0,0,0|0,0,0]=2 151 B16R2.5 CC(CC#N)NC1CCc2c1nccc2 AIFCHEM-94525524451 [0,2,0,0,0,0|1,0,1]=4 152 B16R2.5 CCCC(C)NC1CCc2c1cccc2 AIFCHEM-94606121330 [0,2,0,0,0,0|0,0,2]=4 153 B16R2.5 CCCC(C)N[C@@H]1CCc2c1cccc2 AIFCHEM-94561671547 [0,2,0,0,0,0|0,0,2]=4 154 B16R2.5 CCCC(C)N[C@H]1CCc2c1cccc2 AIFCHEM-94567471421 [0,2,0,0,0,0|0,0,2]=4 155 B16R2.140 C#CC(=O)NC1CCc2c1cccc2Br AIFCHEM-94576010065 [0,2,0,0,0,0|0,0,1]=3 156 B16R2.140 C#CC(=O)N[C@@H]1CCc2c1cccc2Br AIFCHEM-94525193062 [0,2,0,0,0,0|0,0,1]=3 157 B16R2.140 C#CC(=O)N[C@H]1CCc2c1cccc2Br AIFCHEM-94525192458 [0,2,0,0,0,0|0,0,1]=3 158 B16R2.140 C#CC(=O)N[C@H]1COc2c1cccc2Cl AIFCHEM-94525196243 [0,2,0,0,0,0|1,0,1]=4 159 B16R2.140 Cc1cccc2c1CCC2NC(C)CO AIFCHEM-6220923729 [0,2,0,0,0,0|1,0,1]=4 160 B16R2.33556 C#CC(=O)NC1CC(=O)c2c1cccc2 AIFCHEM-94525194367 [0,2,0,0,0,0|0,0,2]=4 161 B16R2.33562 CC(CO)N[C@@H]1c2ccccc2C[C@@H]1O AIFCHEM-6453220053 [0,2,0,0,0,0|1,0,1]=4 162 B16R2.33562 CC(CO)N[C@@H]1c2ccccc2C[C@H]1O AIFCHEM-6435936173 [0,2,0,0,0,0|1,0,1]=4 163 B16R2.33562 CC(CO)N[C@H]1c2ccccc2C[C@@H]1O AIFCHEM-6493254632 [0,2,0,0,0,0|1,0,1]=4 164 B16R2.33562 CC(CO)N[C@H]1c2ccccc2C[C@H]1O AIFCHEM-6438818279 [0,2,0,0,0,0|1,0,1]=4 165 B16R2.34357 C#CC(=O)NC1CCc2c1ccc(c2)C AIFCHEM-94525194928 [0,2,0,0,0,0|0,0,1]=3 166 B16R2.34357 C#CC(=O)NC1COc2c1ccc(c2)F AIFCHEM-94525203716 [0,2,0,0,0,0|1,0,1]=4 167 B16R2.34357 C#CC(=O)N[C@@H]1COc2c1ccc(c2)F AIFCHEM-94525197016 [0,2,0,0,0,0|1,0,1]=4 168 B16R2.34357 C#CC(=O)N[C@H]1CCc2c1ccc(c2)F AIFCHEM-94525196249 [0,2,0,0,0,0|0,0,1]=3 169 B16R2.34357 C#CC(=O)N[C@H]1COc2c1ccc(c2)F AIFCHEM-94525196241 [0,2,0,0,0,0|1,0,1]=4 170 B16R2.176317 C#CC(=O)N[C@@H]1COc2c1c(ccc2)F AIFCHEM-94525192259 [0,2,0,0,0,0|1,0,1]=4 171 B16R2.176359 C#CC(=O)NC1CCc2c1cc(cc2)F AIFCHEM-94525191961 [0,2,0,0,0,0|0,0,1]=3 172 B16R2.176359 C#CC(=O)NC1COc2c1cc(cc2)Br AIFCHEM-94525191879 [0,2,0,0,0,0|1,0,1]=4 173 B16R2.176359 C#CC(=O)N[C@@H]1CCc2c1cc(cc2)F AIFCHEM-94525201595 [0,2,0,0,0,0|0,0,1]=3 174 B16R2.176359 C#CC(=O)N[C@H]1CCc2c1cc(cc2)F AIFCHEM-94525193641 [0,2,0,0,0,0|0,0,1]=3 175 B16R2.176359 C[C@H](CF)NC1CCc2c1cc(cc2)Cl AIFCHEM-6089721742 [0,2,0,0,0,0|1,0,1]=4 176 B16R2.176359 Cc1ccc2c(c1)C(CC2)NC(C)CO AIFCHEM-5751726505 [0,2,0,0,0,0|1,0,1]=4 177 B16R2.37 C#CCCC(=O)N1CCc2c1cccc2 AIFCHEM-5815847888 [0,2,0,0,0,0|2,0,0]=4 178 B16R2.37 C#CCNC(=O)C1COc2c1cccc2 AIFCHEM-6237075812 [0,2,0,0,0,0|1,0,0]=3 179 B16R2.205493 CCCCNC1CCc2c1cc(cc2)Br AIFCHEM-94523043224 [0,2,0,0,0,0|0,0,2]=4 180 B16R2.205493 CCCCNC1CCc2c1cc(cc2)Cl AIFCHEM-94523029315 [0,2,0,0,0,0|0,0,2]=4 181 B16R2.205493 CCCCN[C@H]1CCc2c1cc(cc2)Br AIFCHEM-94523033352 [0,2,0,0,0,0|0,0,2]=4 182 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(C)C AIFCHEM-94572975965 [0,2,0,0,0,0|0,0,2]=4 183 B16R2.4003 CC(C)CN[C@@H]1c2ccccc2C[C@@H]1O AIFCHEM-94544805854 [0,2,0,0,0,0|0,0,2]=4 184 B16R2.4003 CC(C)CN[C@@H]1c2ccccc2C[C@H]1O AIFCHEM-94572975722 [0,2,0,0,0,0|0,0,2]=4 185 B16R2.4003 CC(C)CN[C@H]1c2ccccc2C[C@@H]1O AIFCHEM-94572975723 [0,2,0,0,0,0|0,0,2]=4 186 B16R2.4003 CC(C)CN[C@H]1c2ccccc2C[C@H]1O AIFCHEM-94572973426 [0,2,0,0,0,0|0,0,2]=4 187 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)Cl AIFCHEM-94582122213 [0,2,0,0,0,0|0,0,2]=4 188 B16R2.15551 CC(O)CNC1CCc2c1cc(cc2)Cl AIFCHEM-94558281578 [0,2,0,0,0,0|0,0,2]=4 189 B16R2.15551 Cc1ccc2c(c1)C(CC2)NCC(C)C AIFCHEM-94572986268 [0,2,0,0,0,0|0,0,2]=4 190 B16R2.22833 CC(C)CNC1CCc2c1cccc2O AIFCHEM-94572973904 [0,2,0,0,0,0|0,0,2]=4 191 B16R2.22833 CC(C)CN[C@H]1CCc2c1cccc2O AIFCHEM-94572977534 [0,2,0,0,0,0|0,0,2]=4 192 B16R2.89 CCCN[C@H]1CCc2c1cccc2C#N AIFCHEM-94569011423 [0,2,0,0,0,0|0,0,2]=4 193 B16R2.159766 C#CCC(=O)N1CCc2c1cc(cc2)I AIFCHEM-6089313611 [0,2,0,0,0,0|2,0,0]=4 194 B16R2.159803 C#CCC(=O)N1CCc2c1c(ccc2)Br AIFCHEM-6199815173 [0,2,0,0,0,0|2,0,0]=4 195 B16R2.163635 FCCNC1CCc2c1cc(c(c2)Br)Br AIFCHEM-5853482573 [0,2,0,0,0,0|1,0,1]=4 196 B16R2.166026 CCCN[C@H]1c2cc(ccc2C[C@H]1O)Br AIFCHEM-94569016100 [0,2,0,0,0,0|0,0,2]=4 197 B14R2.3018 c1ccc(cc1)CCCNC2CC2 AIFCHEM-94573312466 [0,0,1,1,0,0|0,0,2]=4 198 B14R2.112 CCCN1CCc2ccccc2C1 AIFCHEM-94569024035 [0,0,1,1,0,0|0,0,2]=4 199 B16R3.2958 CCCN1C2CCC1c3c2cccc3 AIFCHEM-94569019419 [0,0,0,1,0,1|0,0,2]=4 200 B16R3.34 C[C@@H]1C[C@H]1NC2CCc3c2cccc3 AIFCHEM-94559011107 [0,1,0,1,0,0|0,0,2]=4 201 B16R3.1813 c1ccc2c(c1)CCC2NC3CSC3 AIFCHEM-94557412561 [0,1,0,1,0,0|0,0,2]=4 202 B16R3.1813 c1ccc2c(c1)CC[C@@H]2NC3CSC3 AIFCHEM-5605782270 [0,1,0,1,0,0|0,0,2]=4 203 B16R3.1813 c1ccc2c(c1)CC[C@H]2NC3CSC3 AIFCHEM-5908294740 [0,1,0,1,0,0|0,0,2]=4 204 B16R3.1814 c1ccc2c(c1)CCC2NCC3CC3 AIFCHEM-5894059630 [0,1,0,1,0,0|0,0,2]=4 205 B16R3.1814 c1ccc2c(c1)CC[C@@H]2NCC3CC3 AIFCHEM-94567472696 [0,1,0,1,0,0|0,0,2]=4 206 B16R3.1814 c1ccc2c(c1)CC[C@H]2NCC3CC3 AIFCHEM-94561672822 [0,1,0,1,0,0|0,0,2]=4 207 B16R3.2117 Clc1ccc2c(c1)CCC2N3CCC3 AIFCHEM-94604922436 [0,1,0,1,0,0|0,0,2]=4