0 B14R1.158 CC(CCCC#N)Nc1ccccc1 AIFCHEM-94552031911 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.158 CSCCCN(C)Cc1ccccc1 AIFCHEM-94546175860 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.158 N#CCCCC(=O)Nc1ccccc1 AIFCHEM-94552044110 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.28 N#CCNCCCc1ccccc1 AIFCHEM-94558702083 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.44 CCCCN(C)Cc1ccccc1 AIFCHEM-94536079434 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.44 CN(CCC#N)Cc1cccnn1 AIFCHEM-6238396255 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.44 CN(CCC#N)Cc1ccncc1 AIFCHEM-6196251112 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.44 CN(CCC#N)Cc1ccncn1 AIFCHEM-6238692077 [1,0,0,0,0,0|3,0,0]=4 8 B15R1.83 CC(Cc1ccccn1)NCCCCO AIFCHEM-6488271986 [0,1,0,0,0,0|2,0,1]=4 9 B15R1.83 CCCCNCC(O)Cc1ccccc1 AIFCHEM-94523038476 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.83 COCCCNC(C)Cc1ccccn1 AIFCHEM-94598890518 [0,1,0,0,0,0|2,0,1]=4 11 B15R1.93 C#CCCNC(=O)C(O)c1ccccc1 AIFCHEM-94541771823 [0,1,0,0,0,0|2,0,1]=4 12 B15R1.93 C#CCCNC(=O)[C@@H](O)c1ccccc1 AIFCHEM-94541765692 [0,1,0,0,0,0|2,0,1]=4 13 B15R1.93 C#CCCNC(=O)[C@H](O)c1ccccc1 AIFCHEM-94541770019 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)I AIFCHEM-6066017433 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.128 CC(CCCC#N)Nc1ccc(cc1)I AIFCHEM-94560945165 [0,1,0,0,0,0|2,0,0]=3 16 B15R1.128 CC(CCCC#N)Nc1ccc(nc1)Br AIFCHEM-94560937251 [0,1,0,0,0,0|3,0,0]=4 17 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Cl AIFCHEM-5694000388 [0,1,0,0,0,0|2,0,1]=4 18 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)F AIFCHEM-5754023638 [0,1,0,0,0,0|2,0,1]=4 19 B15R1.129 CC(CCCC#N)Nc1ccnc(c1)F AIFCHEM-94560939855 [0,1,0,0,0,0|3,0,0]=4 20 B15R1.129 CC(CCCC#N)Nc1cncc(c1)F AIFCHEM-94560940745 [0,1,0,0,0,0|3,0,0]=4 21 B15R1.129 Cc1cccc(c1)NC(C)CCCC#N AIFCHEM-94560934532 [0,1,0,0,0,0|2,0,0]=3 22 B15R1.129 Cc1cncc(c1)NC(C)CCCC#N AIFCHEM-94560942981 [0,1,0,0,0,0|3,0,0]=4 23 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)O AIFCHEM-5694227622 [0,1,0,0,0,0|1,0,1]=3 24 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)Br AIFCHEM-5695098445 [0,1,0,0,0,0|2,0,1]=4 25 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)F AIFCHEM-5753911901 [0,1,0,0,0,0|2,0,1]=4 26 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)Br AIFCHEM-5718375759 [0,1,0,0,0,0|2,0,1]=4 27 B15R1.129 N#CCCNC(=O)Cc1cncc(c1)F AIFCHEM-5720605856 [0,1,0,0,0,0|2,0,1]=4 28 B15R1.551 CN(CCC#N)C(=O)Cc1ccncc1 AIFCHEM-6197543015 [0,1,0,0,0,0|2,0,1]=4 29 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1ccncc1 AIFCHEM-6027521130 [0,1,0,0,0,0|2,0,1]=4 30 B15R1.809 C[C@H](CC#N)NC(=O)Cc1ccncc1 AIFCHEM-6246666509 [0,1,0,0,0,0|2,0,1]=4 31 B15R1.964 CC(C#N)CNC(=O)Cc1ccccn1 AIFCHEM-94576240352 [0,1,0,0,0,0|2,0,1]=4 32 B15R1.964 CC(Cc1ccccn1)NCC(O)CO AIFCHEM-6422055065 [0,1,0,0,0,0|2,0,1]=4 33 B15R1.964 CC(Cc1ccccn1)NC[C@@H](O)CO AIFCHEM-6482476339 [0,1,0,0,0,0|2,0,1]=4 34 B15R1.964 CC(Cc1ccccn1)NC[C@H](O)CO AIFCHEM-6443313940 [0,1,0,0,0,0|2,0,1]=4 35 B15R1.1081 CC(Cc1ccccn1)NCCC(=O)O AIFCHEM-5823253488 [0,1,0,0,0,0|2,0,1]=4 36 B15R1.1409 CC(CCCC#N)Nc1cccnc1O AIFCHEM-94551073337 [0,1,0,0,0,0|3,0,0]=4 37 B15R1.1409 CC(Cn1ccccc1=O)NCCON AIFCHEM-94588606808 [0,1,0,0,0,0|2,0,1]=4 38 B15R1.1409 CCCCNC(C)Cn1ccccc1=O AIFCHEM-94570972821 [0,1,0,0,0,0|2,0,1]=4 39 B15R2.15 N#CC1CCC(C1)Nc2cccnc2 AIFCHEM-94531005092 [0,0,0,1,0,0|3,0,0]=4 40 B15R2.16446 CC(Cc1ccccn1)NC2CCC2 AIFCHEM-5771086674 [0,0,0,1,0,0|2,0,1]=4 41 B13R1.24 C#CCCNC(=O)c1ccccc1 AIFCHEM-94541770295 [0,0,0,0,1,0|2,0,1]=4 42 B13R1.24 CC(NCCCO)c1ccncc1 AIFCHEM-94523160543 [0,0,0,0,1,0|2,0,1]=4 43 B13R1.24 CCCCNC(C)c1ccncc1 AIFCHEM-94523033099 [0,0,0,0,1,0|2,0,1]=4 44 B13R1.24 CCCCN[C@@H](C)c1ccncc1 AIFCHEM-94523035942 [0,0,0,0,1,0|2,0,1]=4 45 B13R1.24 CCCCN[C@H](C)c1ccncc1 AIFCHEM-94523027663 [0,0,0,0,1,0|2,0,1]=4 46 B13R1.24 CSCCNC(C)c1cccnc1 AIFCHEM-94598921912 [0,0,0,0,1,0|3,0,0]=4 47 B13R1.24 CSCCNC(C)c1ccncc1 AIFCHEM-94598918875 [0,0,0,0,1,0|3,0,0]=4 48 B13R1.24 N#CCCNC(=O)c1cccnc1 AIFCHEM-5753900683 [0,0,0,0,1,0|2,0,1]=4 49 B13R1.156 N#CCCNC(=O)Cc1cccs1 AIFCHEM-5694597187 [0,0,0,0,1,0|2,0,1]=4 50 B13R1.156 N#CCCNC(=O)Cn1cccc1 AIFCHEM-5753669692 [0,0,0,0,1,0|2,0,1]=4 51 B15R1.78 CC(CCCC#N)NCc1ccncc1 AIFCHEM-94560946513 [0,0,0,0,0,1|2,0,0]=3 52 B15R1.78 N#CCCNC(=O)CCc1ccccc1 AIFCHEM-5694569056 [0,0,0,0,0,1|1,0,1]=3 53 B15R1.78 N#CCCNC(=O)COc1ccncc1 AIFCHEM-5776362856 [0,0,0,0,0,1|2,0,1]=4 54 B12R1.8 N#CCCNCc1ccncn1 AIFCHEM-5753481843 [2,0,0,0,0,0|2,0,0]=4 55 B14R1.14 CCCCNCCc1ccc(cc1)Br AIFCHEM-94570972343 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.14 COCCNCCc1ccc(cc1)Cl AIFCHEM-6047902707 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.14 CSCCNCCc1ccc(cc1)Cl AIFCHEM-5882388988 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.14 Cc1ccc(cc1)CCNCCC#N AIFCHEM-5693960391 [1,1,0,0,0,0|0,0,0]=2 59 B14R1.14 N#CCNCCCc1ccc(cc1)F AIFCHEM-94553840546 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.14 OCCCNCCc1ccc(cc1)Br AIFCHEM-6447558044 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.26 CSCCNCCc1cccc(c1)C AIFCHEM-94590816360 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.123 CSCCNCCCc1ccccc1 AIFCHEM-94598918608 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.123 N#CCCCCNCc1cccnc1 AIFCHEM-5831928338 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.123 N#CCCNCCCc1ccccc1 AIFCHEM-5719518444 [1,1,0,0,0,0|0,0,0]=2 65 B14R1.520 CN(CC#N)CCCc1ccccc1 AIFCHEM-94589145088 [1,1,0,0,0,0|2,0,0]=4 66 B14R1.882 CSCCNCCc1ccccc1Cl AIFCHEM-94598922355 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.33 CN(CCC#N)Cc1ccc(cn1)Br AIFCHEM-6221453055 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.33 CN(CCC#N)Cc1ccc(cn1)Cl AIFCHEM-6238482384 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.33 CN(CCC#N)Cc1ccc(cn1)F AIFCHEM-6223618434 [1,1,0,0,0,0|2,0,0]=4 70 B14R1.33 CN(CCC#N)Cc1ccc(nc1)Cl AIFCHEM-6196071432 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.33 Cc1ccc(cn1)CN(C)CCC#N AIFCHEM-6218480230 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.34 CN(CCC#N)Cc1cccc(c1)I AIFCHEM-6197533157 [1,1,0,0,0,0|1,0,0]=3 73 B14R1.34 CN(CCC#N)Cc1cccc(n1)Br AIFCHEM-6221712043 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.34 CN(CCC#N)Cc1cccc(n1)F AIFCHEM-6197418419 [1,1,0,0,0,0|2,0,0]=4 75 B14R1.34 CN(CCC#N)Cc1ccnc(c1)F AIFCHEM-6196283901 [1,1,0,0,0,0|2,0,0]=4 76 B14R1.34 CN(CCC#N)Cc1cncc(c1)O AIFCHEM-6217767824 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.423 CC(Cc1ccccn1)NCC(F)F AIFCHEM-5987644713 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.423 CC(Cc1ccccn1)NC[C@@H](C)O AIFCHEM-6490761101 [1,1,0,0,0,0|1,0,1]=4 79 B14R1.423 CC(Cc1ccccn1)NC[C@H](C)O AIFCHEM-6493005594 [1,1,0,0,0,0|1,0,1]=4 80 B14R1.423 CC(O)CNC(C)Cc1ccccn1 AIFCHEM-94558285087 [1,1,0,0,0,0|1,0,1]=4 81 B14R1.743 CC(CO)NC(C)Cc1ccccn1 AIFCHEM-6411267226 [1,1,0,0,0,0|2,0,0]=4 82 B14R1.743 CC(Cc1ccccn1)N[C@@H](C)CO AIFCHEM-6418967454 [1,1,0,0,0,0|2,0,0]=4 83 B14R1.743 CC(Cc1ccccn1)N[C@H](C)CO AIFCHEM-6414095415 [1,1,0,0,0,0|2,0,0]=4 84 B14R1.946 CN(CCC#N)Cc1ccccc1I AIFCHEM-6222910537 [1,1,0,0,0,0|1,0,0]=3 85 B14R1.946 CN(CCC#N)Cc1ccccc1O AIFCHEM-94532468602 [1,1,0,0,0,0|1,0,0]=3 86 B14R1.946 CN(CCC#N)Cc1cccnc1Br AIFCHEM-6196386209 [1,1,0,0,0,0|2,0,0]=4 87 B14R1.946 CN(CCC#N)Cc1cccnc1F AIFCHEM-6238688384 [1,1,0,0,0,0|2,0,0]=4 88 B14R1.946 CN(CCC#N)Cc1cccnc1O AIFCHEM-94541106475 [1,1,0,0,0,0|2,0,0]=4 89 B14R1.946 CN(CCC#N)Cc1cnccc1Br AIFCHEM-6218164053 [1,1,0,0,0,0|2,0,0]=4 90 B14R1.946 CN(CCC#N)Cc1ncccc1Cl AIFCHEM-6217529668 [1,1,0,0,0,0|2,0,0]=4 91 B14R1.19 CC(NCCCO)c1ccc(cc1)I AIFCHEM-94523161259 [0,1,0,0,1,0|1,0,1]=4 92 B14R1.19 CSCCNC(C)c1ccc(cc1)I AIFCHEM-94598919591 [0,1,0,0,1,0|2,0,0]=4 93 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl AIFCHEM-94519625315 [0,1,0,0,1,0|1,0,1]=4 94 B14R1.19 N#CCCNC(=O)c1ccc(cc1)O AIFCHEM-5693871207 [0,1,0,0,1,0|1,0,1]=4 95 B14R1.20 CCCCN[C@@H](C)c1cccc(c1)O AIFCHEM-94523036001 [0,1,0,0,1,0|1,0,1]=4 96 B14R1.20 CCCCN[C@H](C)c1cccc(c1)O AIFCHEM-94523042342 [0,1,0,0,1,0|1,0,1]=4 97 B14R1.20 CSCCNC(C)c1cccc(c1)Br AIFCHEM-5848387043 [0,1,0,0,1,0|2,0,0]=4 98 B14R1.29 CC(CC#N)NC(C)c1cccnc1 AIFCHEM-94523873488 [0,1,0,0,1,0|1,0,0]=3 99 B14R1.29 CC(CC#N)NC(C)c1ccncc1 AIFCHEM-94575913104 [0,1,0,0,1,0|1,0,0]=3 100 B14R1.29 CC(CC#N)N[C@@H](C)c1cccnc1 AIFCHEM-94593283473 [0,1,0,0,1,0|1,0,0]=3 101 B14R1.29 CC(CC#N)N[C@@H](C)c1ccncc1 AIFCHEM-94567319250 [0,1,0,0,1,0|1,0,0]=3 102 B14R1.29 CC(CC#N)N[C@H](C)c1cccnc1 AIFCHEM-94529447058 [0,1,0,0,1,0|1,0,0]=3 103 B14R1.29 CC(CC#N)N[C@H](C)c1ccncc1 AIFCHEM-94598515679 [0,1,0,0,1,0|1,0,0]=3 104 B14R1.29 CC(NC(=O)CC#N)c1cccnc1 AIFCHEM-94559910588 [0,1,0,0,1,0|1,0,1]=4 105 B14R1.29 C[C@@H](CC#N)NC(=O)c1ccccc1 AIFCHEM-94565573335 [0,1,0,0,1,0|1,0,1]=4 106 B14R1.29 C[C@@H](NC(=O)CC#N)c1cccnc1 AIFCHEM-94529456467 [0,1,0,0,1,0|1,0,1]=4 107 B14R1.29 C[C@H](CC#N)NC(=O)c1ccccc1 AIFCHEM-94565573336 [0,1,0,0,1,0|1,0,1]=4 108 B14R1.29 C[C@H](NC(=O)CC#N)c1cccnc1 AIFCHEM-94559916366 [0,1,0,0,1,0|1,0,1]=4 109 B14R1.121 CCCCN[C@@H](CC)c1ccccc1 AIFCHEM-94523037270 [0,1,0,0,1,0|1,0,1]=4 110 B14R1.121 CCCCN[C@H](CC)c1ccccc1 AIFCHEM-94523036340 [0,1,0,0,1,0|1,0,1]=4 111 B14R1.121 OCCCNC(CO)c1ccccc1 AIFCHEM-94523164813 [0,1,0,0,1,0|1,0,1]=4 112 B14R1.163 CC(C#N)CNC(=O)c1ccccc1 AIFCHEM-94565586155 [0,1,0,0,1,0|1,0,1]=4 113 B14R1.163 CCC(F)CNC(C)c1ccccc1 AIFCHEM-94560523284 [0,1,0,0,1,0|1,0,1]=4 114 B14R1.1035 CC(NCCCO)c1ccccc1O AIFCHEM-94523160700 [0,1,0,0,1,0|1,0,1]=4 115 B14R1.1035 CCCCNC(C)c1ccccc1O AIFCHEM-94603813915 [0,1,0,0,1,0|1,0,1]=4 116 B14R1.1035 CCCCN[C@@H](C)c1ccccc1O AIFCHEM-94523030883 [0,1,0,0,1,0|1,0,1]=4 117 B14R1.1035 CCCCN[C@H](C)c1ccccc1O AIFCHEM-94523030049 [0,1,0,0,1,0|1,0,1]=4 118 B14R1.1035 CSCCNC(C)c1ccccc1O AIFCHEM-94598919032 [0,1,0,0,1,0|2,0,0]=4 119 B16R1.35 CC(CCCC#N)NC(C)c1cccnc1 AIFCHEM-94560935101 [0,1,0,0,0,1|2,0,0]=4 120 B16R1.35 CC(CCCC#N)N[C@@H](C)c1cccnc1 AIFCHEM-94560942148 [0,1,0,0,0,1|2,0,0]=4 121 B16R1.35 CC(CCCC#N)N[C@H](C)c1cccnc1 AIFCHEM-94529444423 [0,1,0,0,0,1|2,0,0]=4 122 B16R1.51 CC(CCCC#N)NCc1ccc(cc1)Cl AIFCHEM-94560944056 [0,1,0,0,0,1|1,0,0]=3 123 B16R1.51 CC(CCCC#N)NCc1ccc(cn1)Br AIFCHEM-94531438701 [0,1,0,0,0,1|2,0,0]=4 124 B16R1.51 CC(CCCC#N)NCc1ccc(nc1)Cl AIFCHEM-94560950197 [0,1,0,0,0,1|2,0,0]=4 125 B16R1.51 CC(CSc1ccc(cc1)Cl)NCCCO AIFCHEM-94523163002 [0,1,0,0,0,1|1,0,1]=4 126 B16R1.51 CC(CSc1ccc(cc1)F)NCCCO AIFCHEM-6438285159 [0,1,0,0,0,1|1,0,1]=4 127 B16R1.51 CCCCNC(C)CCc1ccc(cc1)F AIFCHEM-5736377321 [0,1,0,0,0,1|1,0,1]=4 128 B16R1.51 COCCNC(C)CCc1ccc(cc1)O AIFCHEM-6048177531 [0,1,0,0,0,1|2,0,0]=4 129 B16R1.51 Cc1ccc(cn1)CNC(C)CCCC#N AIFCHEM-94560945477 [0,1,0,0,0,1|2,0,0]=4 130 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)O AIFCHEM-5776447433 [0,1,0,0,0,1|1,0,1]=4 131 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)F AIFCHEM-5717967912 [0,1,0,0,0,1|1,0,1]=4 132 B16R1.52 CC(CCCC#N)NCc1cc(ccn1)Br AIFCHEM-94549446903 [0,1,0,0,0,1|2,0,0]=4 133 B16R1.52 CC(CCCC#N)NCc1cccc(n1)Cl AIFCHEM-94560939933 [0,1,0,0,0,1|2,0,0]=4 134 B16R1.52 CC(CCCC#N)NCc1ccnc(c1)Br AIFCHEM-94560948588 [0,1,0,0,0,1|2,0,0]=4 135 B16R1.52 CC(CCCC#N)NCc1ccnc(c1)F AIFCHEM-94560948598 [0,1,0,0,0,1|2,0,0]=4 136 B16R1.52 Cc1cc(ccn1)CNC(C)CCCC#N AIFCHEM-94531175867 [0,1,0,0,0,1|2,0,0]=4 137 B16R1.52 Cc1cncc(c1)CNC(C)CCCC#N AIFCHEM-94560938113 [0,1,0,0,0,1|2,0,0]=4 138 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Cl AIFCHEM-5720361401 [0,1,0,0,0,1|1,0,1]=4 139 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Br AIFCHEM-5776598477 [0,1,0,0,0,1|1,0,1]=4 140 B16R1.608 CC(COc1ccccc1)NCCN(C)C AIFCHEM-94537676837 [0,1,0,0,0,1|2,0,0]=4 141 B16R1.608 CC(CSc1ccccc1)NCCC(F)F AIFCHEM-94575228818 [0,1,0,0,0,1|1,0,1]=4 142 B16R1.608 CC(CSc1ccccc1)NCC[C@H](C)O AIFCHEM-94575231389 [0,1,0,0,0,1|1,0,1]=4 143 B16R1.608 CC(O)CCNC(C)CSc1ccccc1 AIFCHEM-94575238681 [0,1,0,0,0,1|1,0,1]=4 144 B16R1.688 CCOCCNC(C)CSc1ccccc1 AIFCHEM-94575229622 [0,1,0,0,0,1|1,0,1]=4 145 B16R1.1216 CC(CCCC#N)N(C)Cc1ccccc1 AIFCHEM-94560934097 [0,1,0,0,0,1|1,0,0]=3 146 B16R1.1216 CC(Cc1ccccc1)C(=O)NCCC#N AIFCHEM-5719837255 [0,1,0,0,0,1|1,0,1]=4 147 B16R1.1216 CC(NCCCO)C(C)Oc1ccccc1 AIFCHEM-94523165194 [0,1,0,0,0,1|1,0,1]=4 148 B16R1.1216 CCCCNC(C)C(C)Oc1ccccc1 AIFCHEM-5745304195 [0,1,0,0,0,1|1,0,1]=4 149 B16R1.1343 CC(C#N)CNC(=O)COc1ccccc1 AIFCHEM-6017324313 [0,1,0,0,0,1|1,0,1]=4 150 B16R1.1343 CC(CSc1ccccc1)NCC(O)CO AIFCHEM-94575241059 [0,1,0,0,0,1|1,0,1]=4 151 B16R1.1343 CC(CSc1ccccc1)NC[C@@H](O)CO AIFCHEM-94575241653 [0,1,0,0,0,1|1,0,1]=4 152 B16R1.1343 CC(CSc1ccccc1)NC[C@H](O)CO AIFCHEM-94575241014 [0,1,0,0,0,1|1,0,1]=4 153 B16R1.1343 CCC(C)CNC(C)COc1ccccc1 AIFCHEM-94604172362 [0,1,0,0,0,1|1,0,1]=4 154 B16R1.1516 CN(CCC#N)C(=O)CSc1ccccc1 AIFCHEM-6219673603 [0,1,0,0,0,1|1,0,1]=4 155 B16R1.1516 COCCN(C)C(C)COc1ccccc1 AIFCHEM-94604165725 [0,1,0,0,0,1|2,0,0]=4 156 B16R1.1570 CC(COc1ccccc1)N[C@@H](C)CC#N AIFCHEM-94604156707 [0,1,0,0,0,1|0,0,0]=2 157 B16R1.1570 CC(COc1ccccc1)N[C@H](C)CC#N AIFCHEM-94604156708 [0,1,0,0,0,1|0,0,0]=2 158 B16R1.1570 CCCC(C)NC(C)COc1ccccc1 AIFCHEM-94604168590 [0,1,0,0,0,1|1,0,1]=4 159 B16R1.1570 CCCC(C)NC(C)CSc1ccccc1 AIFCHEM-94560473830 [0,1,0,0,0,1|1,0,1]=4 160 B16R1.1570 CCC[C@@H](C)NC(C)COc1ccccc1 AIFCHEM-94604156111 [0,1,0,0,0,1|1,0,1]=4 161 B16R1.1570 CCC[C@@H](C)NC(C)CSc1ccccc1 AIFCHEM-94575228875 [0,1,0,0,0,1|1,0,1]=4 162 B16R1.1570 CCC[C@H](C)NC(C)COc1ccccc1 AIFCHEM-94604163146 [0,1,0,0,0,1|1,0,1]=4 163 B16R1.1570 CCC[C@H](C)NC(C)CSc1ccccc1 AIFCHEM-94575235910 [0,1,0,0,0,1|1,0,1]=4 164 B16R1.1570 COCC(C)NC(C)COc1ccccc1 AIFCHEM-94604165596 [0,1,0,0,0,1|2,0,0]=4 165 B16R1.1570 COC[C@@H](C)NC(C)COc1ccccc1 AIFCHEM-94601265566 [0,1,0,0,0,1|2,0,0]=4 166 B16R1.1570 COC[C@H](C)NC(C)COc1ccccc1 AIFCHEM-94604157347 [0,1,0,0,0,1|2,0,0]=4 167 B16R1.1696 CC(CCCC#N)NCc1ccccc1I AIFCHEM-94574468630 [0,1,0,0,0,1|1,0,0]=3 168 B16R1.1696 CC(CCCC#N)NCc1ccccc1O AIFCHEM-94560949768 [0,1,0,0,0,1|1,0,0]=3 169 B16R1.1696 CC(CCCC#N)NCc1ccncc1F AIFCHEM-94598671626 [0,1,0,0,0,1|2,0,0]=4 170 B16R1.1696 Cc1ccccc1OCC(=O)NCCC#N AIFCHEM-5753804056 [0,1,0,0,0,1|1,0,1]=4 171 B16R1.1696 Cc1cccnc1CNC(C)CCCC#N AIFCHEM-94560938510 [0,1,0,0,0,1|2,0,0]=4 172 B16R1.1696 Cc1ccncc1CNC(C)CCCC#N AIFCHEM-94560938053 [0,1,0,0,0,1|2,0,0]=4 173 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Cl AIFCHEM-5754367241 [0,1,0,0,0,1|1,0,1]=4 174 B16R1.1758 CCC(CCc1ccccc1)NCCOC AIFCHEM-6016084530 [0,1,0,0,0,1|2,0,0]=4 175 B16R1.1758 CCC(CCc1ccccc1)NCCSC AIFCHEM-94598920863 [0,1,0,0,0,1|2,0,0]=4 176 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)O AIFCHEM-94597147103 [0,2,0,0,0,0|1,0,1]=4 177 B16R1.61 C[C@@H](C(=O)NCCC#N)c1ccc(cc1)O AIFCHEM-94606431214 [0,2,0,0,0,0|1,0,1]=4 178 B16R1.61 N#CCCNC(=O)C(O)c1ccc(cc1)Br AIFCHEM-5718362653 [0,2,0,0,0,0|1,0,1]=4 179 B16R1.61 N#CCCNC(=O)C(O)c1ccc(cc1)F AIFCHEM-5694556794 [0,2,0,0,0,0|1,0,1]=4 180 B16R1.61 N#CCCNC(=O)C(O)c1ccc(cc1)O AIFCHEM-94593925146 [0,2,0,0,0,0|1,0,1]=4 181 B16R1.61 N#CCCNC(=O)[C@@H](O)c1ccc(cc1)F AIFCHEM-5753911905 [0,2,0,0,0,0|1,0,1]=4 182 B16R1.61 N#CCCNC(=O)[C@H](O)c1ccc(cc1)F AIFCHEM-5776764706 [0,2,0,0,0,0|1,0,1]=4 183 B16R1.1701 CC(C)(C(=O)NCCC#N)c1ccccc1 AIFCHEM-5753742078 [0,2,0,0,0,0|1,0,1]=4 184 B16R1.1705 CCC(C(=O)NCCC#N)c1ccccc1 AIFCHEM-5694136483 [0,2,0,0,0,0|1,0,1]=4 185 B16R1.1705 CC[C@@H](C(=O)NCCC#N)c1ccccc1 AIFCHEM-5719621571 [0,2,0,0,0,0|1,0,1]=4 186 B16R1.2925 CC(C#N)CNC(=O)C(C)c1ccccc1 AIFCHEM-6038630629 [0,2,0,0,0,0|1,0,1]=4 187 B16R1.2925 CC(C#N)CNC(=O)[C@@H](C)c1ccccc1 AIFCHEM-6057234988 [0,2,0,0,0,0|1,0,1]=4 188 B16R1.2925 CC(C#N)CNC(=O)[C@H](C)c1ccccc1 AIFCHEM-6017431643 [0,2,0,0,0,0|1,0,1]=4 189 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)Br AIFCHEM-6197638277 [0,2,0,0,0,0|1,0,1]=4 190 B16R1.658 CN(Cc1ccc(cc1)Br)C(=O)CCC#N AIFCHEM-94538732815 [0,2,0,0,0,0|2,0,0]=4 191 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)Cl AIFCHEM-6064345283 [0,2,0,0,0,0|1,0,1]=4 192 B16R1.955 C[C@H](CC#N)NC(=O)Cc1ccc(cc1)Cl AIFCHEM-6245967761 [0,2,0,0,0,0|1,0,1]=4 193 B16R1.7382 CCc1ccc(cc1)CC(=O)NCCC#N AIFCHEM-94577962991 [0,2,0,0,0,0|1,0,1]=4 194 B16R1.7382 CCc1ccc(cc1)NC(C)CCCC#N AIFCHEM-94560945770 [0,2,0,0,0,0|2,0,0]=4 195 B16R1.7382 COc1ccc(cc1)NC(C)CCCC#N AIFCHEM-94560940442 [0,2,0,0,0,0|2,0,0]=4 196 B16R1.7382 N#CCCNC(=O)Cc1ccc(cc1)C#N AIFCHEM-5694567221 [0,2,0,0,0,0|1,0,1]=4 197 B16R1.7393 CC(CCCC#N)Nc1ccc(c(c1)Br)Br AIFCHEM-94560946082 [0,2,0,0,0,0|2,0,0]=4 198 B16R1.7393 CC(CCCC#N)Nc1ccc(c(c1)F)F AIFCHEM-94560943557 [0,2,0,0,0,0|2,0,0]=4 199 B16R1.7393 CC(CCCC#N)Nc1ccc(c(c1)F)O AIFCHEM-94559732573 [0,2,0,0,0,0|2,0,0]=4 200 B16R1.7393 CC(CCCC#N)Nc1ccc(c(c1)I)O AIFCHEM-94560949257 [0,2,0,0,0,0|2,0,0]=4 201 B16R1.7393 Cc1ccc(cc1Br)NC(C)CCCC#N AIFCHEM-94560947871 [0,2,0,0,0,0|2,0,0]=4 202 B16R1.7393 Cc1ccc(cc1Cl)NC(C)CCCC#N AIFCHEM-94560950037 [0,2,0,0,0,0|2,0,0]=4 203 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)Cl AIFCHEM-5720664790 [0,2,0,0,0,0|1,0,1]=4 204 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)Cl AIFCHEM-5694813445 [0,2,0,0,0,0|1,0,1]=4 205 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)F AIFCHEM-5754040262 [0,2,0,0,0,0|1,0,1]=4 206 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Cl AIFCHEM-5754001124 [0,2,0,0,0,0|1,0,1]=4 207 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)O)O AIFCHEM-5694632635 [0,2,0,0,0,0|1,0,1]=4 208 B16R1.22955 CC(CCCC#N)Nc1ccc(cc1F)Br AIFCHEM-94560935255 [0,2,0,0,0,0|2,0,0]=4 209 B16R1.22955 CC(CCCC#N)Nc1ccc(cc1O)Cl AIFCHEM-94560942247 [0,2,0,0,0,0|2,0,0]=4 210 B16R1.22955 CC(CCCC#N)Nc1ccc(cc1O)F AIFCHEM-94560945151 [0,2,0,0,0,0|2,0,0]=4 211 B16R1.22955 Cc1cc(ccc1NC(C)CCCC#N)Cl AIFCHEM-94560950036 [0,2,0,0,0,0|2,0,0]=4 212 B16R1.22955 Cc1cc(ccc1NC(C)CCCC#N)I AIFCHEM-94560936983 [0,2,0,0,0,0|2,0,0]=4 213 B16R1.22955 Cc1ccc(c(c1)C)NC(C)CCCC#N AIFCHEM-94560950035 [0,2,0,0,0,0|2,0,0]=4 214 B16R1.22955 Cc1ccc(c(c1)F)CC(=O)NCCC#N AIFCHEM-5720226588 [0,2,0,0,0,0|1,0,1]=4 215 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)F AIFCHEM-5776380032 [0,2,0,0,0,0|1,0,1]=4 216 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Br AIFCHEM-5720010405 [0,2,0,0,0,0|1,0,1]=4 217 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Br AIFCHEM-5694256003 [0,2,0,0,0,0|1,0,1]=4 218 B16R1.88 Cc1c(cccc1CC(=O)NCCC#N)F AIFCHEM-5754245960 [0,2,0,0,0,0|1,0,1]=4 219 B16R1.88 Cc1cccc(c1C)CC(=O)NCCC#N AIFCHEM-5720688972 [0,2,0,0,0,0|1,0,1]=4 220 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Cl AIFCHEM-5695104200 [0,2,0,0,0,0|1,0,1]=4 221 B16R1.659 CN(Cc1cccc(c1)F)C(=O)CCC#N AIFCHEM-6102355379 [0,2,0,0,0,0|2,0,0]=4 222 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Br AIFCHEM-6032228511 [0,2,0,0,0,0|1,0,1]=4 223 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Cl AIFCHEM-6050272535 [0,2,0,0,0,0|1,0,1]=4 224 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)I AIFCHEM-6032091299 [0,2,0,0,0,0|1,0,1]=4 225 B16R1.956 C[C@H](CC#N)NC(=O)Cc1cccc(c1)Br AIFCHEM-6274480569 [0,2,0,0,0,0|1,0,1]=4 226 B16R1.956 C[C@H](CC#N)NC(=O)Cc1cccc(c1)Cl AIFCHEM-6274465078 [0,2,0,0,0,0|1,0,1]=4 227 B16R1.956 C[C@H](CC#N)NC(=O)Cc1cccc(c1)I AIFCHEM-6246269365 [0,2,0,0,0,0|1,0,1]=4 228 B16R1.7379 CC(CCCC#N)Nc1cc(ccc1O)Br AIFCHEM-94560943902 [0,2,0,0,0,0|2,0,0]=4 229 B16R1.7379 COCCNC(C)Cc1cc(ccc1F)F AIFCHEM-6058006931 [0,2,0,0,0,0|2,0,0]=4 230 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)Br AIFCHEM-5694864653 [0,2,0,0,0,0|1,0,1]=4 231 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)Cl AIFCHEM-5694232061 [0,2,0,0,0,0|1,0,1]=4 232 B16R1.7381 CC(CCCC#N)Nc1cc(cc(c1)I)Br AIFCHEM-94560942671 [0,2,0,0,0,0|2,0,0]=4 233 B16R1.7381 CC(Cc1cc(cc(c1)F)F)NCCC#N AIFCHEM-5716885315 [0,2,0,0,0,0|0,0,0]=2 234 B16R1.7381 CC(Cc1cc(cc(c1)F)F)NCCCO AIFCHEM-94523166091 [0,2,0,0,0,0|1,0,1]=4 235 B16R1.7381 CSCCNC(C)Cc1cc(cc(c1)F)F AIFCHEM-5874693010 [0,2,0,0,0,0|2,0,0]=4 236 B16R1.7381 Cc1cc(cc(c1)NC(C)CCCC#N)Br AIFCHEM-94560947557 [0,2,0,0,0,0|2,0,0]=4 237 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Br)Br AIFCHEM-5754129556 [0,2,0,0,0,0|1,0,1]=4 238 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)Cl AIFCHEM-5694468125 [0,2,0,0,0,0|1,0,1]=4 239 B16R1.7389 CCc1cccc(c1)NC(C)CCCC#N AIFCHEM-94560945756 [0,2,0,0,0,0|2,0,0]=4 240 B16R1.7389 COc1cccc(c1)CC(=O)NCCC#N AIFCHEM-5719962978 [0,2,0,0,0,0|1,0,1]=4 241 B16R1.7523 CN(Cc1ccccc1O)C(=O)CCC#N AIFCHEM-94534579495 [0,2,0,0,0,0|2,0,0]=4 242 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1F AIFCHEM-6031637702 [0,2,0,0,0,0|1,0,1]=4 243 B16R1.4235 C[C@H](CC#N)NC(=O)Cc1ccccc1F AIFCHEM-6274435320 [0,2,0,0,0,0|1,0,1]=4 244 B16R1.4235 Cc1ccccc1CC(=O)N[C@@H](C)CC#N AIFCHEM-6027587963 [0,2,0,0,0,0|1,0,1]=4 245 B16R1.4235 Cc1ccccc1CC(=O)N[C@H](C)CC#N AIFCHEM-6274283278 [0,2,0,0,0,0|1,0,1]=4 246 B16R1.22096 Cc1cccc(c1NC(C)CCCC#N)C AIFCHEM-94560940888 [0,2,0,0,0,0|2,0,0]=4 247 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Br)F AIFCHEM-5776614022 [0,2,0,0,0,0|1,0,1]=4 248 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)Cl AIFCHEM-5694827999 [0,2,0,0,0,0|1,0,1]=4 249 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1F)F AIFCHEM-5717804424 [0,2,0,0,0,0|1,0,1]=4 250 B14R2.517 CCCN1c2ccccc2CC1C AIFCHEM-94569021507 [1,0,0,1,0,0|0,0,1]=3 251 B14R2.352 CC(N[C@@H]1C[C@H]1C)c2ccccc2 AIFCHEM-94560535960 [0,0,0,1,1,0|1,0,1]=4 252 B14R2.792 CC(NCC1CC1)c2ccccc2 AIFCHEM-94592475131 [0,0,0,1,1,0|1,0,1]=4 253 B16R2.2270 CCCCNC1CC(C1)c2ccccc2 AIFCHEM-5725543368 [0,0,0,1,0,1|1,0,1]=4 254 B16R2.2441 CCCCNC1CSc2ccccc2C1 AIFCHEM-94587010117 [0,0,0,1,0,1|1,0,1]=4 255 B16R2.2441 CSCCNC1CCc2ccccc2C1 AIFCHEM-94583286416 [0,0,0,1,0,1|2,0,0]=4 256 B16R2.2441 N#CCCNC1CCc2ccccc2C1 AIFCHEM-94583284969 [0,0,0,1,0,1|0,0,0]=2 257 B16R2.2441 N#CCCNC1CSc2ccccc2C1 AIFCHEM-94587013908 [0,0,0,1,0,1|0,0,0]=2 258 B16R2.30013 CCCCN1c2ccccc2CCC1C AIFCHEM-94523033255 [0,0,0,1,0,1|1,0,1]=4 259 B16R2.44148 CC(CSc1ccccc1)NC2COC2 AIFCHEM-94575239514 [0,0,0,1,0,1|2,0,0]=4 260 B16R2.12202 CCCCN1CC(Cc2c1cccc2)C AIFCHEM-94523034371 [0,1,0,1,0,0|1,0,1]=4 261 B16R2.2353 CC(c1ccccc1)N2CC[C@@H](C2)C#N AIFCHEM-94560520763 [0,1,0,1,0,0|2,0,0]=4 262 B16R2.2353 CC(c1ccccc1)N2CC[C@H](C2)C#N AIFCHEM-94560520764 [0,1,0,1,0,0|2,0,0]=4 263 B16R2.20 N#CC1CCC(C1)Nc2ccc(cc2)F AIFCHEM-94540064277 [0,1,0,1,0,0|2,0,0]=4 264 B16R2.2435 COCCNC1Cc2ccc(cc2C1)Br AIFCHEM-6016136218 [0,1,0,1,0,0|2,0,0]=4 265 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)Br AIFCHEM-5848857415 [0,1,0,1,0,0|2,0,0]=4 266 B16R2.2435 N#CCCNC1Cc2ccc(cc2C1)Br AIFCHEM-5776206212 [0,1,0,1,0,0|0,0,0]=2 267 B16R2.2333 Cc1cccc(c1)NC2CCC(C2)C#N AIFCHEM-94565746713 [0,1,0,1,0,0|2,0,0]=4 268 B16R2.2333 N#CC1CCN(C1)Cc2cccc(c2)I AIFCHEM-6279392395 [0,1,0,1,0,0|2,0,0]=4 269 B16R2.2333 N#C[C@@H]1CCN(C1)Cc2cccc(c2)I AIFCHEM-6111400914 [0,1,0,1,0,0|2,0,0]=4 270 B16R2.2333 N#C[C@H]1CCN(C1)Cc2cccc(c2)I AIFCHEM-5974790352 [0,1,0,1,0,0|2,0,0]=4 271 B16R2.2440 CCCCNC1Cc2cccc(c2C1)Br AIFCHEM-5751634656 [0,1,0,1,0,0|1,0,1]=4 272 B16R2.2440 CSCCNC1Cc2cccc(c2C1)Cl AIFCHEM-94598923977 [0,1,0,1,0,0|2,0,0]=4 273 B16R2.2440 OCCCNC1Cc2cccc(c2C1)Cl AIFCHEM-6447787945 [0,1,0,1,0,0|1,0,1]=4 274 B16R2.3626 N#CCC1CN(C1)Cc2cccc(c2)F AIFCHEM-5787390414 [0,1,0,1,0,0|2,0,0]=4 275 B16R2.1056 CCCCN1Cc2ccccc2CC1C AIFCHEM-94522240886 [0,1,0,1,0,0|1,0,1]=4 276 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 AIFCHEM-6479074260 [0,1,0,1,0,0|1,0,1]=4 277 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 AIFCHEM-94607183179 [0,1,0,1,0,0|2,0,0]=4 278 B16R2.734 CC(CCO)NC1Cc2ccccc2C1 AIFCHEM-6493102168 [0,1,0,1,0,0|1,0,1]=4 279 B16R2.734 C[C@@H](CCO)NC1Cc2ccccc2C1 AIFCHEM-6495429441 [0,1,0,1,0,0|1,0,1]=4 280 B16R2.734 C[C@H](CCO)NC1Cc2ccccc2C1 AIFCHEM-6421398752 [0,1,0,1,0,0|1,0,1]=4 281 B16R2.1173 OCC(O)CNC1CC1c2ccccc2 AIFCHEM-6205695121 [0,1,0,1,0,0|1,0,1]=4 282 B16R2.1173 OCC(O)CN[C@@H]1C[C@H]1c2ccccc2 AIFCHEM-94595565754 [0,1,0,1,0,0|1,0,1]=4 283 B16R2.1173 OCC(O)CN[C@H]1C[C@@H]1c2ccccc2 AIFCHEM-5936349470 [0,1,0,1,0,0|1,0,1]=4 284 B16R2.1173 OC[C@@H](O)CNC1CC1c2ccccc2 AIFCHEM-94590565575 [0,1,0,1,0,0|1,0,1]=4 285 B16R2.1173 OC[C@@H](O)CN[C@@H]1C[C@H]1c2ccccc2 AIFCHEM-94595565197 [0,1,0,1,0,0|1,0,1]=4 286 B16R2.1173 OC[C@@H](O)CN[C@H]1C[C@@H]1c2ccccc2 AIFCHEM-94590563815 [0,1,0,1,0,0|1,0,1]=4 287 B16R2.1181 CC(C#N)CNC1Cc2ccccc2C1 AIFCHEM-6016624089 [0,1,0,1,0,0|0,0,0]=2 288 B16R2.1181 COC(C)CNC1Cc2ccccc2C1 AIFCHEM-5787038232 [0,1,0,1,0,0|2,0,0]=4 289 B16R2.1181 CO[C@@H](C)CNC1Cc2ccccc2C1 AIFCHEM-5900320596 [0,1,0,1,0,0|2,0,0]=4 290 B16R2.1181 CO[C@H](C)CNC1Cc2ccccc2C1 AIFCHEM-94608840462 [0,1,0,1,0,0|2,0,0]=4 291 B16R2.1181 OC[C@@H](F)CNC1Cc2ccccc2C1 AIFCHEM-94577440642 [0,1,0,1,0,0|1,0,1]=4 292 B16R2.1181 OC[C@H](F)CNC1Cc2ccccc2C1 AIFCHEM-6394690536 [0,1,0,1,0,0|1,0,1]=4 293 B16R2.33562 CC1Cc2ccccc2N1CC(O)CO AIFCHEM-5887649193 [0,1,0,1,0,0|1,0,1]=4 294 B16R2.33562 CC1Cc2ccccc2N1C[C@H](O)CO AIFCHEM-94590567356 [0,1,0,1,0,0|1,0,1]=4 295 B16R2.492 O=C(O)CCNC1Cc2ccccc2C1 AIFCHEM-5823243769 [0,1,0,1,0,0|1,0,1]=4 296 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2F AIFCHEM-6285397071 [0,1,0,1,0,0|2,0,0]=4 297 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2I AIFCHEM-6279394088 [0,1,0,1,0,0|2,0,0]=4 298 B16R2.2363 N#CC1CCN(C1)Cc2ccccc2O AIFCHEM-94532457053 [0,1,0,1,0,0|2,0,0]=4 299 B16R2.2363 N#C[C@@H]1CCN(C1)Cc2ccccc2F AIFCHEM-6136047676 [0,1,0,1,0,0|2,0,0]=4 300 B16R2.2363 N#C[C@@H]1CCN(C1)Cc2ccccc2I AIFCHEM-6135876870 [0,1,0,1,0,0|2,0,0]=4 301 B16R2.2363 N#C[C@@H]1CCN(C1)Cc2ccccc2O AIFCHEM-94532456609 [0,1,0,1,0,0|2,0,0]=4 302 B16R2.2363 N#C[C@H]1CCN(C1)Cc2ccccc2F AIFCHEM-5945930242 [0,1,0,1,0,0|2,0,0]=4 303 B16R2.2363 N#C[C@H]1CCN(C1)Cc2ccccc2I AIFCHEM-5945787129 [0,1,0,1,0,0|2,0,0]=4 304 B16R2.2363 N#C[C@H]1CCN(C1)Cc2ccccc2O AIFCHEM-94532456608 [0,1,0,1,0,0|2,0,0]=4 305 B16R2.3658 N#CCC1CN(C1)Cc2ccccc2Br AIFCHEM-5789340746 [0,1,0,1,0,0|2,0,0]=4 306 B16R2.3658 N#CCC1CN(C1)Cc2ccccc2O AIFCHEM-94532459496 [0,1,0,1,0,0|2,0,0]=4 307 B16R2.6307 CCCCN[C@@H]1C[C@H]1c2ccccc2C AIFCHEM-94523033487 [0,1,0,1,0,0|1,0,1]=4 308 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CC3 AIFCHEM-5909877464 [0,0,0,2,0,0|1,0,1]=4 309 B12R1.53 CN(CCC#N)Cc1ccoc1 AIFCHEM-6197244286 [1,0,0,0,1,0|2,0,0]=4 310 B16R1.1694 COCCNC(C)COCc1ccccc1 AIFCHEM-6016006513 [0,0,0,0,0,2|2,0,0]=4 311 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 AIFCHEM-5720469664 [0,0,0,0,0,2|1,0,1]=4 312 B16R1.1694 N#CCCNC(=O)CCOc1ccccc1 AIFCHEM-5694640350 [0,0,0,0,0,2|1,0,1]=4 313 B16R1.1694 N#CCCNC(=O)CSCc1ccccc1 AIFCHEM-5694370111 [0,0,0,0,0,2|1,0,1]=4