0 B14R1.158 CC(CCCC#N)Nc1ccccc1 AIFCHEM-94552031911 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.158 CSCCCN(C)Cc1ccccc1 AIFCHEM-94546175860 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.28 CCCNCCCc1ccccc1 AIFCHEM-5790560469 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.28 CCNCCCCc1ccccc1 AIFCHEM-94537420007 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.44 CCCCN(C)Cc1ccccc1 AIFCHEM-94536079434 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.44 CN(CCCO)Cc1ccncc1 AIFCHEM-6401816587 [1,0,0,0,0,0|3,0,0]=4 6 B15R1.83 CC(Cc1ccccn1)NCCCCO AIFCHEM-6488271986 [0,1,0,0,0,0|2,0,0]=3 7 B15R1.83 CCCCNCC(O)Cc1ccccc1 AIFCHEM-94523038476 [0,1,0,0,0,0|2,0,0]=3 8 B15R1.83 CCCNCCN(C)Cc1ccccc1 AIFCHEM-94569012374 [0,1,0,0,0,0|3,0,0]=4 9 B15R1.83 COCCCNC(C)Cc1ccccn1 AIFCHEM-94598890518 [0,1,0,0,0,0|2,0,0]=3 10 B15R1.93 CCCCNC(=O)C(C)c1ccccc1 AIFCHEM-5736745249 [0,1,0,0,0,0|2,0,1]=4 11 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 AIFCHEM-5726305228 [0,1,0,0,0,0|2,0,1]=4 12 B15R1.93 CCCCNC(=O)[C@H](C)c1ccccc1 AIFCHEM-94570984232 [0,1,0,0,0,0|2,0,1]=4 13 B15R1.128 CCCCCN(C)Cc1ccc(cc1)I AIFCHEM-6088271007 [0,1,0,0,0,0|3,0,0]=4 14 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br AIFCHEM-5695578276 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.128 CN(CCCCO)Cc1ccc(cc1)F AIFCHEM-6439279213 [0,1,0,0,0,0|3,0,0]=4 16 B15R1.128 CN(CCCCO)Cc1ccc(cc1)I AIFCHEM-6399833745 [0,1,0,0,0,0|3,0,0]=4 17 B15R1.129 CCCCCC(C)Nc1cccc(c1)I AIFCHEM-94564411402 [0,1,0,0,0,0|3,0,0]=4 18 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br AIFCHEM-94559708690 [0,1,0,0,0,0|3,0,0]=4 19 B15R1.129 CCCCCN(C)Cc1cccc(c1)O AIFCHEM-94551425244 [0,1,0,0,0,0|3,0,0]=4 20 B15R1.129 CN(CCCCO)Cc1cccc(c1)F AIFCHEM-6473849810 [0,1,0,0,0,0|3,0,0]=4 21 B15R1.964 CC(Cc1ccccn1)NCC(O)CO AIFCHEM-6422055065 [0,1,0,0,0,0|2,0,0]=3 22 B15R1.964 CC(Cc1ccccn1)NC[C@@H](O)CO AIFCHEM-6482476339 [0,1,0,0,0,0|2,0,0]=3 23 B15R1.964 CC(Cc1ccccn1)NC[C@H](O)CO AIFCHEM-6443313940 [0,1,0,0,0,0|2,0,0]=3 24 B15R1.1035 CCCCCC(CC)Nc1ccccc1 AIFCHEM-94552031968 [0,1,0,0,0,0|3,0,0]=4 25 B15R1.1081 CC(C)CCCC(C)Nc1ccccc1 AIFCHEM-94552038163 [0,1,0,0,0,0|3,0,0]=4 26 B15R1.1081 CC(Cc1ccccn1)NCCC(=O)O AIFCHEM-5823253488 [0,1,0,0,0,0|2,0,1]=4 27 B15R1.1409 CC(Cn1ccccc1=O)NCCON AIFCHEM-94588606808 [0,1,0,0,0,0|3,0,0]=4 28 B15R1.1409 CCCCCN(C)Cc1ccccc1O AIFCHEM-94551434943 [0,1,0,0,0,0|3,0,0]=4 29 B15R1.1409 CCCCNC(C)Cn1ccccc1=O AIFCHEM-94570972821 [0,1,0,0,0,0|2,0,0]=3 30 B15R1.1409 CN(CCCCO)Cc1ccccc1O AIFCHEM-94532465617 [0,1,0,0,0,0|3,0,0]=4 31 B15R2.64 CN(Cc1ccccc1)C2CCCC2 AIFCHEM-94541520363 [0,0,0,1,0,0|3,0,0]=4 32 B15R2.4392 CCCN1CC(Cc2c1cccc2)C AIFCHEM-94587156080 [0,0,0,1,0,0|3,0,0]=4 33 B15R2.16446 CC(Cc1ccccn1)NC2CCC2 AIFCHEM-5771086674 [0,0,0,1,0,0|2,0,0]=3 34 B13R1.24 CC(NCCCO)c1ccncc1 AIFCHEM-94523160543 [0,0,0,0,1,0|2,0,0]=3 35 B13R1.24 CCCCCN(C)c1ccccc1 AIFCHEM-94551422681 [0,0,0,0,1,0|3,0,0]=4 36 B13R1.24 CCCCNC(C)c1ccncc1 AIFCHEM-94523033099 [0,0,0,0,1,0|2,0,0]=3 37 B13R1.24 CCCCNC(C)c1ncccn1 AIFCHEM-94570973748 [0,0,0,0,1,0|3,0,0]=4 38 B13R1.24 CCCCN[C@@H](C)c1ccncc1 AIFCHEM-94523035942 [0,0,0,0,1,0|2,0,0]=3 39 B13R1.24 CCCCN[C@H](C)c1ccncc1 AIFCHEM-94523027663 [0,0,0,0,1,0|2,0,0]=3 40 B13R1.24 CSCCNC(C)c1cccnc1 AIFCHEM-94598921912 [0,0,0,0,1,0|3,0,0]=4 41 B13R1.24 CSCCNC(C)c1ccncc1 AIFCHEM-94598918875 [0,0,0,0,1,0|3,0,0]=4 42 B15R1.78 CCCCCC(C)NCc1ccncc1 AIFCHEM-94564408591 [0,0,0,0,0,1|3,0,0]=4 43 B12R1.8 OCCCNCc1cccnc1 AIFCHEM-94523164274 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.32 CCCN(C)Cc1ccccn1 AIFCHEM-5860218756 [2,0,0,0,0,0|2,0,0]=4 45 B14R1.14 CCCCNCCc1ccc(cc1)Br AIFCHEM-94570972343 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.14 COCCNCCc1ccc(cc1)Cl AIFCHEM-6047902707 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.14 CSCCNCCc1ccc(cc1)Cl AIFCHEM-5882388988 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.14 Cc1ccc(cc1)CCNCCC#N AIFCHEM-5693960391 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.14 OCCCNCCc1ccc(cc1)Br AIFCHEM-6447558044 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.26 CSCCNCCc1cccc(c1)C AIFCHEM-94590816360 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.123 CCCCNCCOc1cccnc1 AIFCHEM-94523036361 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.123 CCCNCCCCc1ccccc1 AIFCHEM-94569017090 [1,1,0,0,0,0|2,0,0]=4 53 B14R1.123 CSCCNCCCc1ccccc1 AIFCHEM-94598918608 [1,1,0,0,0,0|2,0,0]=4 54 B14R1.123 N#CCCNCCCc1ccccc1 AIFCHEM-5719518444 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.882 CSCCNCCc1ccccc1Cl AIFCHEM-94598922355 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.33 CCCCC(C)Nc1ccc(cc1)I AIFCHEM-94541401614 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.33 CCCCC(C)Nc1ccc(cc1)O AIFCHEM-94596156484 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br AIFCHEM-94521375627 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C AIFCHEM-94521379642 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O AIFCHEM-94521374824 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.34 CCCCN(C)Cc1cccc(c1)Br AIFCHEM-94523043155 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.34 CCCCN(C)Cc1cccc(c1)F AIFCHEM-94523043156 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.34 CN(CCCO)Cc1cccc(c1)Br AIFCHEM-6464224964 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.166 CCCNC(=O)C(O)c1ccccc1 AIFCHEM-5875709630 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.166 CCCNC(=O)[C@@H](O)c1ccccc1 AIFCHEM-94521375229 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.166 CCCNC(=O)[C@H](O)c1ccccc1 AIFCHEM-94521379556 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.423 CC(Cc1ccccn1)NCC(F)F AIFCHEM-5987644713 [1,1,0,0,0,0|1,1,0]=4 68 B14R1.423 CC(Cc1ccccn1)NC[C@@H](C)O AIFCHEM-6490761101 [1,1,0,0,0,0|1,0,0]=3 69 B14R1.423 CC(Cc1ccccn1)NC[C@H](C)O AIFCHEM-6493005594 [1,1,0,0,0,0|1,0,0]=3 70 B14R1.423 CC(O)CNC(C)Cc1ccccn1 AIFCHEM-94558285087 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.743 CC(CO)NC(C)Cc1ccccn1 AIFCHEM-6411267226 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.743 CC(Cc1ccccn1)N[C@@H](C)CO AIFCHEM-6418967454 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.743 CC(Cc1ccccn1)N[C@H](C)CO AIFCHEM-6414095415 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.946 CCCCN(C)Cc1ccccc1Cl AIFCHEM-94532900027 [1,1,0,0,0,0|2,0,0]=4 75 B14R1.946 CCCCN(C)Cc1ccccc1O AIFCHEM-94523039732 [1,1,0,0,0,0|2,0,0]=4 76 B14R1.946 CCCNC(=O)Cc1ccccc1Br AIFCHEM-94521375596 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.946 CCCNC(=O)Cc1ccccc1I AIFCHEM-94521375595 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.946 CN(CCCO)Cc1ccccc1O AIFCHEM-94532465619 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.19 CC(NCCCO)c1ccc(cc1)I AIFCHEM-94523161259 [0,1,0,0,1,0|1,0,0]=3 80 B14R1.19 CSCCNC(C)c1ccc(cc1)I AIFCHEM-94598919591 [0,1,0,0,1,0|2,0,0]=4 81 B14R1.20 CC(NCCCO)c1cccc(n1)Br AIFCHEM-94523164250 [0,1,0,0,1,0|2,0,0]=4 82 B14R1.20 CC(NCCCO)c1ccnc(c1)F AIFCHEM-94523160533 [0,1,0,0,1,0|2,0,0]=4 83 B14R1.20 CCCCNC(C)c1cc(ccn1)Br AIFCHEM-94570969612 [0,1,0,0,1,0|2,0,0]=4 84 B14R1.20 CCCCNC(C)c1cc(ccn1)Cl AIFCHEM-94570974181 [0,1,0,0,1,0|2,0,0]=4 85 B14R1.20 CCCCNC(C)c1ccnc(c1)C AIFCHEM-94570972348 [0,1,0,0,1,0|2,0,0]=4 86 B14R1.20 CCCCNC(C)c1ccnc(c1)F AIFCHEM-94570969790 [0,1,0,0,1,0|2,0,0]=4 87 B14R1.20 CCCCNC(C)c1cncc(c1)C AIFCHEM-94570973299 [0,1,0,0,1,0|2,0,0]=4 88 B14R1.20 CCCCN[C@@H](C)c1cccc(c1)O AIFCHEM-94523036001 [0,1,0,0,1,0|1,0,0]=3 89 B14R1.20 CCCCN[C@H](C)c1cccc(c1)O AIFCHEM-94523042342 [0,1,0,0,1,0|1,0,0]=3 90 B14R1.20 CSCCNC(C)c1cccc(c1)Br AIFCHEM-5848387043 [0,1,0,0,1,0|2,0,0]=4 91 B14R1.29 CCCC(C)NC(C)c1ccncc1 AIFCHEM-94606118885 [0,1,0,0,1,0|2,0,0]=4 92 B14R1.29 CCCC(C)N[C@@H](C)c1ccncc1 AIFCHEM-94606116361 [0,1,0,0,1,0|2,0,0]=4 93 B14R1.29 CCCC(C)N[C@H](C)c1ccncc1 AIFCHEM-94606118561 [0,1,0,0,1,0|2,0,0]=4 94 B14R1.46 CCCCNC(C)(C)c1cccnc1 AIFCHEM-94523044108 [0,1,0,0,1,0|2,0,0]=4 95 B14R1.121 CCCCNC(C#N)c1ccccc1 AIFCHEM-94525718589 [0,1,0,0,1,0|1,0,1]=4 96 B14R1.121 CCCCNC(CC)c1ccncc1 AIFCHEM-94523039718 [0,1,0,0,1,0|2,0,0]=4 97 B14R1.121 CCCCN[C@@H](CC)c1ccccc1 AIFCHEM-94523037270 [0,1,0,0,1,0|1,0,0]=3 98 B14R1.121 CCCCN[C@H](CC)c1ccccc1 AIFCHEM-94523036340 [0,1,0,0,1,0|1,0,0]=3 99 B14R1.121 OCCCNC(CO)c1ccccc1 AIFCHEM-94523164813 [0,1,0,0,1,0|1,0,0]=3 100 B14R1.163 CC(NCC(O)CO)c1cccnc1 AIFCHEM-94523875242 [0,1,0,0,1,0|2,0,0]=4 101 B14R1.163 CC(NC[C@H](F)CO)c1ccccn1 AIFCHEM-94577436170 [0,1,0,0,1,0|2,0,0]=4 102 B14R1.163 CC(NC[C@H](O)CO)c1cccnc1 AIFCHEM-94523874685 [0,1,0,0,1,0|2,0,0]=4 103 B14R1.163 CCC(C)CNC(C)c1cccnc1 AIFCHEM-5605001938 [0,1,0,0,1,0|2,0,0]=4 104 B14R1.163 CCC(C)CN[C@@H](C)c1cccnc1 AIFCHEM-94593287247 [0,1,0,0,1,0|2,0,0]=4 105 B14R1.163 CCC(C)CN[C@H](C)c1cccnc1 AIFCHEM-94529450832 [0,1,0,0,1,0|2,0,0]=4 106 B14R1.163 CCC(F)CNC(C)c1ccccc1 AIFCHEM-94560523284 [0,1,0,0,1,0|1,0,0]=3 107 B14R1.163 CCC(O)CNC(C)c1ccccn1 AIFCHEM-6401945234 [0,1,0,0,1,0|2,0,0]=4 108 B14R1.163 C[C@@H](NCC(O)CO)c1cccnc1 AIFCHEM-94529448812 [0,1,0,0,1,0|2,0,0]=4 109 B14R1.163 C[C@@H](NC[C@H](O)CO)c1cccnc1 AIFCHEM-94590564200 [0,1,0,0,1,0|2,0,0]=4 110 B14R1.163 C[C@H](NCC(O)CO)c1cccnc1 AIFCHEM-94593285227 [0,1,0,0,1,0|2,0,0]=4 111 B14R1.163 C[C@H](NC[C@H](O)CO)c1cccnc1 AIFCHEM-94590562560 [0,1,0,0,1,0|2,0,0]=4 112 B14R1.420 CC(NCC[C@H](C)O)c1ccncc1 AIFCHEM-94544710583 [0,1,0,0,1,0|2,0,0]=4 113 B14R1.420 CC(O)CCNC(C)c1ccncc1 AIFCHEM-94577732317 [0,1,0,0,1,0|2,0,0]=4 114 B14R1.1035 CC(NCCCO)c1ccccc1O AIFCHEM-94523160700 [0,1,0,0,1,0|1,0,0]=3 115 B14R1.1035 CC(NCCCO)c1ncccc1F AIFCHEM-94523166166 [0,1,0,0,1,0|2,0,0]=4 116 B14R1.1035 CCCCNC(C)c1ccccc1O AIFCHEM-94603813915 [0,1,0,0,1,0|1,0,0]=3 117 B14R1.1035 CCCCNC(C)c1ncccc1Cl AIFCHEM-94570970471 [0,1,0,0,1,0|2,0,0]=4 118 B14R1.1035 CCCCNC(C)c1ncccc1O AIFCHEM-94570970499 [0,1,0,0,1,0|2,0,0]=4 119 B14R1.1035 CCCCN[C@@H](C)c1ccccc1O AIFCHEM-94523030883 [0,1,0,0,1,0|1,0,0]=3 120 B14R1.1035 CCCCN[C@H](C)c1ccccc1O AIFCHEM-94523030049 [0,1,0,0,1,0|1,0,0]=3 121 B14R1.1035 CSCCNC(C)c1ccccc1O AIFCHEM-94598919032 [0,1,0,0,1,0|2,0,0]=4 122 B14R1.731 CCC(F)CNC(C)Cc1ccco1 AIFCHEM-94591151257 [0,1,0,0,1,0|2,0,0]=4 123 B16R1.51 CC(CSc1ccc(cc1)Cl)NCCCO AIFCHEM-94523163002 [0,1,0,0,0,1|1,0,0]=3 124 B16R1.51 CC(CSc1ccc(cc1)F)NCCCO AIFCHEM-6438285159 [0,1,0,0,0,1|1,0,0]=3 125 B16R1.51 CCCCCC(C)NCc1ccc(cc1)Br AIFCHEM-94564407065 [0,1,0,0,0,1|2,0,0]=4 126 B16R1.51 CCCCCC(C)NCc1ccc(cc1)C AIFCHEM-94564396309 [0,1,0,0,0,1|2,0,0]=4 127 B16R1.51 CCCCCC(C)NCc1ccc(cc1)F AIFCHEM-94530363198 [0,1,0,0,0,1|2,0,0]=4 128 B16R1.51 CCCCCC(C)NCc1ccc(cc1)I AIFCHEM-94564408920 [0,1,0,0,0,1|2,0,0]=4 129 B16R1.51 CCCCNC(C)CCc1ccc(cc1)F AIFCHEM-5736377321 [0,1,0,0,0,1|1,0,0]=3 130 B16R1.51 COCCNC(C)CCc1ccc(cc1)O AIFCHEM-6048177531 [0,1,0,0,0,1|2,0,0]=4 131 B16R1.52 CCCCCC(C)NCc1cccc(c1)Cl AIFCHEM-94564409137 [0,1,0,0,0,1|2,0,0]=4 132 B16R1.608 CC(C)CCCC(C)NCc1ccccc1 AIFCHEM-5867804155 [0,1,0,0,0,1|2,0,0]=4 133 B16R1.608 CC(COc1ccccc1)NCCN(C)C AIFCHEM-94537676837 [0,1,0,0,0,1|2,0,0]=4 134 B16R1.608 CC(CSc1ccccc1)NCCC(F)F AIFCHEM-94575228818 [0,1,0,0,0,1|0,1,0]=3 135 B16R1.608 CC(CSc1ccccc1)NCC[C@H](C)O AIFCHEM-94575231389 [0,1,0,0,0,1|1,0,0]=3 136 B16R1.608 CC(O)CCNC(C)CSc1ccccc1 AIFCHEM-94575238681 [0,1,0,0,0,1|1,0,0]=3 137 B16R1.688 CCOCCNC(C)CSc1ccccc1 AIFCHEM-94575229622 [0,1,0,0,0,1|1,0,0]=3 138 B16R1.1216 CC(NCCCO)C(C)Oc1ccccc1 AIFCHEM-94523165194 [0,1,0,0,0,1|1,0,0]=3 139 B16R1.1216 CCCCNC(C)C(C)Oc1ccccc1 AIFCHEM-5745304195 [0,1,0,0,0,1|1,0,0]=3 140 B16R1.1343 CC(CSc1ccccc1)NCC(O)CO AIFCHEM-94575241059 [0,1,0,0,0,1|1,0,0]=3 141 B16R1.1343 CC(CSc1ccccc1)NC[C@@H](O)CO AIFCHEM-94575241653 [0,1,0,0,0,1|1,0,0]=3 142 B16R1.1343 CC(CSc1ccccc1)NC[C@H](O)CO AIFCHEM-94575241014 [0,1,0,0,0,1|1,0,0]=3 143 B16R1.1343 CCC(C)CNC(C)COc1ccccc1 AIFCHEM-94604172362 [0,1,0,0,0,1|1,0,0]=3 144 B16R1.1516 COCCN(C)C(C)COc1ccccc1 AIFCHEM-94604165725 [0,1,0,0,0,1|2,0,0]=4 145 B16R1.1570 CC(COc1ccccc1)N[C@@H](C)CC#N AIFCHEM-94604156707 [0,1,0,0,0,1|1,0,1]=4 146 B16R1.1570 CC(COc1ccccc1)N[C@H](C)CC#N AIFCHEM-94604156708 [0,1,0,0,0,1|1,0,1]=4 147 B16R1.1570 CCCC(C)NC(C)COc1ccccc1 AIFCHEM-94604168590 [0,1,0,0,0,1|1,0,0]=3 148 B16R1.1570 CCCC(C)NC(C)CSc1ccccc1 AIFCHEM-94560473830 [0,1,0,0,0,1|1,0,0]=3 149 B16R1.1570 CCC[C@@H](C)NC(C)COc1ccccc1 AIFCHEM-94604156111 [0,1,0,0,0,1|1,0,0]=3 150 B16R1.1570 CCC[C@@H](C)NC(C)CSc1ccccc1 AIFCHEM-94575228875 [0,1,0,0,0,1|1,0,0]=3 151 B16R1.1570 CCC[C@H](C)NC(C)COc1ccccc1 AIFCHEM-94604163146 [0,1,0,0,0,1|1,0,0]=3 152 B16R1.1570 CCC[C@H](C)NC(C)CSc1ccccc1 AIFCHEM-94575235910 [0,1,0,0,0,1|1,0,0]=3 153 B16R1.1570 COCC(C)NC(C)COc1ccccc1 AIFCHEM-94604165596 [0,1,0,0,0,1|2,0,0]=4 154 B16R1.1570 COC[C@@H](C)NC(C)COc1ccccc1 AIFCHEM-94601265566 [0,1,0,0,0,1|2,0,0]=4 155 B16R1.1570 COC[C@H](C)NC(C)COc1ccccc1 AIFCHEM-94604157347 [0,1,0,0,0,1|2,0,0]=4 156 B16R1.1696 CCCCCC(C)NCc1ccccc1O AIFCHEM-94592059834 [0,1,0,0,0,1|2,0,0]=4 157 B16R1.1758 CCC(CCc1ccccc1)NCCOC AIFCHEM-6016084530 [0,1,0,0,0,1|2,0,0]=4 158 B16R1.1758 CCC(CCc1ccccc1)NCCSC AIFCHEM-94598920863 [0,1,0,0,0,1|2,0,0]=4 159 B16R1.610 CC(Cc1ccccn1)NCCCC(=O)O AIFCHEM-5677892986 [0,2,0,0,0,0|2,0,0]=4 160 B16R1.610 CC(Cc1ccccn1)NCCCN(C)C AIFCHEM-5720768619 [0,2,0,0,0,0|2,0,0]=4 161 B16R1.693 CC(Cc1ccccn1)NCCOCCO AIFCHEM-94565555285 [0,2,0,0,0,0|2,0,0]=4 162 B16R1.693 CCCCNCCN(C)Cc1ccccc1 AIFCHEM-94523031604 [0,2,0,0,0,0|2,0,0]=4 163 B16R1.1329 CC(CO)CCNC(C)Cc1ccccn1 AIFCHEM-6387849469 [0,2,0,0,0,0|2,0,0]=4 164 B16R1.1329 CCC(C)CNCC(O)Cc1ccccc1 AIFCHEM-6509648343 [0,2,0,0,0,0|2,0,0]=4 165 B16R1.1329 OCC(O)CNCC(O)Cc1ccccc1 AIFCHEM-6494042203 [0,2,0,0,0,0|2,0,0]=4 166 B16R1.1329 OC[C@@H](O)CNCC(O)Cc1ccccc1 AIFCHEM-94590565095 [0,2,0,0,0,0|2,0,0]=4 167 B16R1.4621 CCOCCNC(C)Cn1ccccc1=O AIFCHEM-94588597989 [0,2,0,0,0,0|2,0,0]=4 168 B16R1.7379 COCCNC(C)Cc1cc(ccc1F)F AIFCHEM-6058006931 [0,2,0,0,0,0|2,0,0]=4 169 B16R1.7381 CC(Cc1cc(cc(c1)F)F)NCCC#N AIFCHEM-5716885315 [0,2,0,0,0,0|1,0,1]=4 170 B16R1.7381 CC(Cc1cc(cc(c1)F)F)NCCCO AIFCHEM-94523166091 [0,2,0,0,0,0|1,0,0]=3 171 B16R1.7381 CSCCNC(C)Cc1cc(cc(c1)F)F AIFCHEM-5874693010 [0,2,0,0,0,0|2,0,0]=4 172 B16R1.177 CCC[C@@H](CO)NC(C)Cc1ccccn1 AIFCHEM-94607957276 [0,2,0,0,0,0|2,0,0]=4 173 B16R1.177 CCC[C@H](CO)NC(C)Cc1ccccn1 AIFCHEM-6414848349 [0,2,0,0,0,0|2,0,0]=4 174 B16R1.7458 CC(CO)CNC(C)Cn1ccccc1=O AIFCHEM-94588601894 [0,2,0,0,0,0|2,0,0]=4 175 B14R2.3 CCCCN1CCc2c1nccc2 AIFCHEM-94523028180 [1,0,0,1,0,0|2,0,0]=4 176 B14R2.517 CCCN1c2ccccc2CC1C AIFCHEM-94569021507 [1,0,0,1,0,0|0,0,0]=2 177 B14R2.352 CC(N[C@@H]1C[C@H]1C)c2ccccc2 AIFCHEM-94560535960 [0,0,0,1,1,0|1,0,0]=3 178 B14R2.792 CC(NCC1CC1)c2ccccc2 AIFCHEM-94592475131 [0,0,0,1,1,0|1,0,0]=3 179 B14R2.794 CC(NC1CCC1)c2ccccn2 AIFCHEM-94576053527 [0,0,0,1,1,0|2,0,0]=4 180 B14R2.794 CC(NC1CCC1)c2ccncc2 AIFCHEM-94575910929 [0,0,0,1,1,0|2,0,0]=4 181 B14R2.794 C[C@@H](NC1CCC1)c2ccccn2 AIFCHEM-94582266378 [0,0,0,1,1,0|2,0,0]=4 182 B14R2.794 C[C@@H](NC1CCC1)c2ccncc2 AIFCHEM-94576054086 [0,0,0,1,1,0|2,0,0]=4 183 B14R2.794 C[C@H](NC1CCC1)c2ccccn2 AIFCHEM-94576051884 [0,0,0,1,1,0|2,0,0]=4 184 B14R2.794 C[C@H](NC1CCC1)c2ccncc2 AIFCHEM-94576051886 [0,0,0,1,1,0|2,0,0]=4 185 B16R2.2238 CC(NCc1ccccc1)C2CCCC2 AIFCHEM-5867477220 [0,0,0,1,0,1|2,0,0]=4 186 B16R2.2270 CCCCNC1CC(C1)c2ccccc2 AIFCHEM-5725543368 [0,0,0,1,0,1|1,0,0]=3 187 B16R2.2441 CCCCNC1CSc2ccccc2C1 AIFCHEM-94587010117 [0,0,0,1,0,1|1,0,0]=3 188 B16R2.2441 CSCCNC1CCc2ccccc2C1 AIFCHEM-94583286416 [0,0,0,1,0,1|2,0,0]=4 189 B16R2.2441 N#CCCNC1CCc2ccccc2C1 AIFCHEM-94583284969 [0,0,0,1,0,1|1,0,1]=4 190 B16R2.2441 N#CCCNC1CSc2ccccc2C1 AIFCHEM-94587013908 [0,0,0,1,0,1|1,0,1]=4 191 B16R2.30013 CCCCN1c2ccccc2CCC1C AIFCHEM-94523033255 [0,0,0,1,0,1|1,0,0]=3 192 B16R2.44148 CC(CSc1ccccc1)NC2COC2 AIFCHEM-94575239514 [0,0,0,1,0,1|2,0,0]=4 193 B16R2.23 CCN1CCCC(C1)Cc2ccccc2 AIFCHEM-94537417553 [0,1,0,1,0,0|2,0,0]=4 194 B16R2.278 CC(Cc1ccccn1)N[C@@H]2CC[C@H]2O AIFCHEM-6452769573 [0,1,0,1,0,0|2,0,0]=4 195 B16R2.1983 CC(Cc1ccccn1)N2CC[C@@H]2CO AIFCHEM-94554358911 [0,1,0,1,0,0|2,0,0]=4 196 B16R2.1983 CC(Cc1ccccn1)N2CC[C@H]2CO AIFCHEM-94538003775 [0,1,0,1,0,0|2,0,0]=4 197 B16R2.10948 CC(Cc1ccccn1)NCC2CCO2 AIFCHEM-94567678470 [0,1,0,1,0,0|2,0,0]=4 198 B16R2.10948 CC(Cc1ccccn1)NC[C@@H]2CCO2 AIFCHEM-5863669764 [0,1,0,1,0,0|2,0,0]=4 199 B16R2.10948 CC(Cc1ccccn1)NC[C@H]2CCO2 AIFCHEM-5720753880 [0,1,0,1,0,0|2,0,0]=4 200 B16R2.10948 OC(CNC1CCC1)Cc2ccccc2 AIFCHEM-94576054420 [0,1,0,1,0,0|2,0,0]=4 201 B16R2.12202 CCCCN1CC(Cc2c1cccc2)C AIFCHEM-94523034371 [0,1,0,1,0,0|1,0,0]=3 202 B16R2.2435 COCCNC1Cc2ccc(cc2C1)Br AIFCHEM-6016136218 [0,1,0,1,0,0|2,0,0]=4 203 B16R2.2435 CSCCNC1Cc2ccc(cc2C1)Br AIFCHEM-5848857415 [0,1,0,1,0,0|2,0,0]=4 204 B16R2.2435 N#CCCNC1Cc2ccc(cc2C1)Br AIFCHEM-5776206212 [0,1,0,1,0,0|1,0,1]=4 205 B16R2.2440 CCCCNC1Cc2cccc(c2C1)Br AIFCHEM-5751634656 [0,1,0,1,0,0|1,0,0]=3 206 B16R2.2440 CSCCNC1Cc2cccc(c2C1)Cl AIFCHEM-94598923977 [0,1,0,1,0,0|2,0,0]=4 207 B16R2.2440 OCCCNC1Cc2cccc(c2C1)Cl AIFCHEM-6447787945 [0,1,0,1,0,0|1,0,0]=3 208 B16R2.1056 CCCCN1Cc2ccccc2CC1C AIFCHEM-94522240886 [0,1,0,1,0,0|1,0,0]=3 209 B16R2.2128 CN(CCCO)C1Cc2ccccc2C1 AIFCHEM-6479074260 [0,1,0,1,0,0|1,0,0]=3 210 B16R2.2128 CSCCN(C)C1Cc2ccccc2C1 AIFCHEM-94607183179 [0,1,0,1,0,0|2,0,0]=4 211 B16R2.734 CC(CCO)NC1Cc2ccccc2C1 AIFCHEM-6493102168 [0,1,0,1,0,0|1,0,0]=3 212 B16R2.734 C[C@@H](CCO)NC1Cc2ccccc2C1 AIFCHEM-6495429441 [0,1,0,1,0,0|1,0,0]=3 213 B16R2.734 C[C@H](CCO)NC1Cc2ccccc2C1 AIFCHEM-6421398752 [0,1,0,1,0,0|1,0,0]=3 214 B16R2.1173 OCC(O)CNC1CC1c2ccccc2 AIFCHEM-6205695121 [0,1,0,1,0,0|1,0,0]=3 215 B16R2.1173 OCC(O)CN[C@@H]1C[C@H]1c2ccccc2 AIFCHEM-94595565754 [0,1,0,1,0,0|1,0,0]=3 216 B16R2.1173 OCC(O)CN[C@H]1C[C@@H]1c2ccccc2 AIFCHEM-5936349470 [0,1,0,1,0,0|1,0,0]=3 217 B16R2.1173 OC[C@@H](O)CNC1CC1c2ccccc2 AIFCHEM-94590565575 [0,1,0,1,0,0|1,0,0]=3 218 B16R2.1173 OC[C@@H](O)CN[C@@H]1C[C@H]1c2ccccc2 AIFCHEM-94595565197 [0,1,0,1,0,0|1,0,0]=3 219 B16R2.1173 OC[C@@H](O)CN[C@H]1C[C@@H]1c2ccccc2 AIFCHEM-94590563815 [0,1,0,1,0,0|1,0,0]=3 220 B16R2.1181 CC(C#N)CNC1Cc2ccccc2C1 AIFCHEM-6016624089 [0,1,0,1,0,0|1,0,1]=4 221 B16R2.1181 COC(C)CNC1Cc2ccccc2C1 AIFCHEM-5787038232 [0,1,0,1,0,0|2,0,0]=4 222 B16R2.1181 CO[C@@H](C)CNC1Cc2ccccc2C1 AIFCHEM-5900320596 [0,1,0,1,0,0|2,0,0]=4 223 B16R2.1181 CO[C@H](C)CNC1Cc2ccccc2C1 AIFCHEM-94608840462 [0,1,0,1,0,0|2,0,0]=4 224 B16R2.1181 OC[C@@H](F)CNC1Cc2ccccc2C1 AIFCHEM-94577440642 [0,1,0,1,0,0|1,0,0]=3 225 B16R2.1181 OC[C@H](F)CNC1Cc2ccccc2C1 AIFCHEM-6394690536 [0,1,0,1,0,0|1,0,0]=3 226 B16R2.33562 CC1Cc2ccccc2N1CC(O)CO AIFCHEM-5887649193 [0,1,0,1,0,0|1,0,0]=3 227 B16R2.33562 CC1Cc2ccccc2N1C[C@H](O)CO AIFCHEM-94590567356 [0,1,0,1,0,0|1,0,0]=3 228 B16R2.492 O=C(O)CCNC1Cc2ccccc2C1 AIFCHEM-5823243769 [0,1,0,1,0,0|1,0,1]=4 229 B16R2.6307 CCCCN[C@@H]1C[C@H]1c2ccccc2C AIFCHEM-94523033487 [0,1,0,1,0,0|1,0,0]=3 230 B16R2.12425 CC(Cn1ccccc1=O)N2CC[C@@H]2C AIFCHEM-94588613151 [0,1,0,1,0,0|2,0,0]=4 231 B16R2.12425 CC(Cn1ccccc1=O)N2CC[C@H]2C AIFCHEM-94588611348 [0,1,0,1,0,0|2,0,0]=4 232 B16R2.12425 CC1CCN1C(C)Cn2ccccc2=O AIFCHEM-94588598319 [0,1,0,1,0,0|2,0,0]=4 233 B16R2.24867 CC(Cn1ccccc1=O)NCC2CC2 AIFCHEM-94592471976 [0,1,0,1,0,0|2,0,0]=4 234 B16R3.275948 c1ccc2c(c1)CC(C2)NCC3CC3 AIFCHEM-5909877464 [0,0,0,2,0,0|1,0,0]=3 235 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [1,0,0,0,1,0|1,0,1]=4 236 B12R1.30 CCCNC(C)c1cnccn1 AIFCHEM-94569014093 [1,0,0,0,1,0|2,0,0]=4 237 B16R1.1694 COCCNC(C)COCc1ccccc1 AIFCHEM-6016006513 [0,0,0,0,0,2|2,0,0]=4