0 B16R2.2829 CC(CN1CNC(=O)C1)c2ccccc2 2230a_200000708111_100000756946 [0,0,0,0,0,0|4,0,0]=4 1 B16R2.2829 CC(Cc1cc([nH]n1)N)c2ccccc2 271570a_100000062452_100009822546 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.2829 CC(Cc1csc(n1)N)c2ccccc2 271570a_100000062452_100011998049 [0,0,0,0,0,0|0,1,2]=3 3 B16R2.2829 CC(Cc1n[nH]c(n1)N)c2ccccc2 271570a_100000062452_100015184587 [0,0,0,0,0,0|2,0,1]=3 4 B16R2.2829 CC(Cc1nc(cs1)Br)c2ccccc2 271570a_100000062452_200016082925 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.2829 CC(Cc1nc(cs1)N)c2ccccc2 271570a_100000062452_200015188442 [0,0,0,0,0,0|2,0,1]=3 6 B16R2.2829 CC(Cc1nnc(s1)N)c2ccccc2 271570a_100000062452_100000738278 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.2829 CC(NC1CNC(=O)C1)c2ccccc2 2230a_100000697751_100000230085 [0,0,0,0,0,0|4,0,0]=4 8 B16R2.2829 CC(NC1CNC(=O)C1)c2ccccc2 269862a_100000697751_100000185851 [0,0,0,0,0,0|4,0,0]=4 9 B16R2.2829 CC(OC1CCC(=O)C1)c2ccccc2 34a_100012614533_100000211855 [0,0,0,0,0,0|4,0,0]=4 10 B16R2.2829 CC(OC1CNC(=O)C1)c2ccccc2 34a_100000690082_100000211855 [0,0,0,0,0,0|4,0,0]=4 11 B16R2.2829 CC(SC1COC(=O)O1)c2ccccc2 62a_100000230085_100000032252 [0,0,0,0,0,0|3,0,0]=3 12 B16R2.2829 CC(Sc1csc(n1)N)c2ccccc2 62a_100000230085_100011998049 [0,0,0,0,0,0|1,1,2]=4 13 B16R2.2829 CC(Sc1csc(n1)N)c2ccccc2 62a_100011998049_100000230085 [0,0,0,0,0,0|1,1,2]=4 14 B16R2.2829 CC(Sc1n[nH]c(n1)N)c2ccccc2 62a_100000230085_100015184587 [0,0,0,0,0,0|3,0,1]=4 15 B16R2.2829 CC(Sc1n[nH]c(n1)N)c2ccccc2 62a_100015184587_100000230085 [0,0,0,0,0,0|3,0,1]=4 16 B16R2.2829 CC(Sc1nc(cs1)N)c2ccccc2 62a_100000230085_200015188442 [0,0,0,0,0,0|3,0,1]=4 17 B16R2.2829 CC(Sc1nc(cs1)N)c2ccccc2 62a_200015188442_100000230085 [0,0,0,0,0,0|3,0,1]=4 18 B16R2.2829 CN(CC1=CC(=O)OC1)c2ccccc2 34a_100000210012_100000716558 [0,0,0,0,0,0|3,0,1]=4 19 B16R2.2829 CN(CC1CNC(=O)O1)c2ccccc2 2230a_100000210012_100000181169 [0,0,0,0,0,0|4,0,0]=4 20 B16R2.2829 CN(CC1CNC(=O)O1)c2ccccc2 269982a_100000210012_100000181169 [0,0,0,0,0,0|4,0,0]=4 21 B16R2.2829 CN(CC1CNC(=O)O1)c2ccccc2 34a_100000210012_100000181169 [0,0,0,0,0,0|4,0,0]=4 22 B16R2.2829 CN(CC1COC(=O)O1)c2ccccc2 269982a_100000210012_100000073702 [0,0,0,0,0,0|3,0,0]=3 23 B16R2.2829 CN(CC1COC(=O)O1)c2ccccc2 34a_100000210012_100000073702 [0,0,0,0,0,0|3,0,0]=3 24 B16R2.2829 CN(C[C@@H]1CCC(=O)N1)c2ccccc2 2230a_100000210012_100015189358 [0,0,0,0,0,0|3,0,1]=4 25 B16R2.2829 CN(C[C@@H]1CCC(=O)N1)c2ccccc2 269982a_100000210012_100015189358 [0,0,0,0,0,0|3,0,1]=4 26 B16R2.2829 CN(C[C@H]1COC(=O)N1)c2ccccc2 2230a_100000210012_100015307671 [0,0,0,0,0,0|2,0,1]=3 27 B16R2.2829 CN(C[C@H]1COC(=O)N1)c2ccccc2 269982a_100000210012_100015307671 [0,0,0,0,0,0|2,0,1]=3 28 B16R2.2829 CN(C[C@H]1COC(=O)N1)c2ccccc2 34a_100000210012_100015307671 [0,0,0,0,0,0|2,0,1]=3 29 B16R2.2829 C[C@@H](OC1COC(=O)O1)c2ccccc2 34a_100000761318_100000032252 [0,0,0,0,0,0|3,0,0]=3 30 B16R2.2829 Cc1c[nH]c(n1)CC(C)c2ccccc2 271570a_100000062452_100161115468 [0,0,0,0,0,0|3,0,1]=4 31 B16R2.2829 Cc1csc(n1)CC(C)c2ccccc2 271570a_100000062452_100011291629 [0,0,0,0,0,0|3,0,1]=4 32 B16R2.2829 Cc1nc(c[nH]1)CC(C)c2ccccc2 271570a_100000062452_100009814057 [0,0,0,0,0,0|2,0,2]=4 33 B16R2.2829 Cc1nc(cs1)CC(C)c2ccccc2 271570a_100000062452_100011934587 [0,0,0,0,0,0|1,1,2]=4 34 B16R2.2829 Cc1nc(n[nH]1)CC(C)c2ccccc2 271570a_100000062452_100000732540 [0,0,0,0,0,0|3,0,1]=4 35 B16R2.2829 Cc1nc(no1)CC(C)c2ccccc2 271570a_100000062452_100012003639 [0,0,0,0,0,0|2,0,1]=3 36 B16R2.2829 Cc1nc(no1)CN(C)c2ccccc2 2230a_100000210012_100000231061 [0,0,0,0,0,0|3,0,1]=4 37 B16R2.2829 Cc1nc(no1)CN(C)c2ccccc2 269982a_100000210012_100000231061 [0,0,0,0,0,0|3,0,1]=4 38 B16R2.2829 Cc1nc(no1)CN(C)c2ccccc2 34a_100000210012_100000231061 [0,0,0,0,0,0|3,0,1]=4 39 B16R2.2829 Cc1nc(no1)C[C@@H](O)c2ccccc2 270196a_100009817555_100000070787 [0,0,0,0,0,0|3,0,1]=4 40 B16R2.2829 Cc1nc(no1)N[C@H](C)c2ccccc2 27a_100000751104_100012003639 [0,0,0,0,0,0|3,0,1]=4 41 B16R2.2829 Cc1nc(no1)SC(C)c2ccccc2 62a_100000230085_100012003639 [0,0,0,0,0,0|3,0,1]=4 42 B16R2.2829 Cc1nc(no1)SC(C)c2ccccc2 62a_100012003639_100000230085 [0,0,0,0,0,0|3,0,1]=4 43 B16R2.2829 Cc1noc(n1)CC(C)c2ccccc2 270196a_100000212224_100000183687 [0,0,0,0,0,0|3,0,1]=4 44 B16R2.2829 Cc1nsc(n1)CC(C)c2ccccc2 271570a_100000062452_100000709739 [0,0,0,0,0,0|3,0,1]=4 45 B16R2.2829 O=C1N[C@H](CO1)CC(=O)c2ccccc2 1458a_100000185807_100015307671 [0,0,0,0,0,0|2,0,2]=4 46 B16R2.2829 O=C1OCC(O1)CC(=O)c2ccccc2 1458a_100000185807_100000073702 [0,0,0,0,0,0|3,0,1]=4 47 B16R2.2829 Oc1nc(no1)C[C@@H](O)c2ccccc2 270196a_100009817555_100015183105 [0,0,0,0,0,0|3,0,1]=4 48 B15R2.283 Cc1nc(no1)CCc2ccccc2 270196a_100000212256_100000070787 [1,0,0,0,0,0|2,0,1]=4 49 B15R2.283 O=C1N[C@H](CO1)CNc2ccccc2 34a_100000106764_100015307671 [1,0,0,0,0,0|2,0,1]=4 50 B15R2.283 O=C1N[C@H](CO1)COc2ccccc2 34a_100000210340_100015307671 [1,0,0,0,0,0|2,0,1]=4 51 B15R2.283 O=C1N[C@H](CO1)COc2ccccc2 7a_100000210340_100015307671 [1,0,0,0,0,0|2,0,1]=4 52 B15R2.283 O=C1N[C@H](CO1)CSc2ccccc2 62a_100000719477_100015307671 [1,0,0,0,0,0|2,0,1]=4 53 B15R2.283 O=C1N[C@H](CO1)CSc2ccccc2 62a_100015307671_100000041952 [1,0,0,0,0,0|2,0,1]=4 54 B15R2.283 O=C1OCC(O1)CNc2ccccc2 34a_100000106764_100000073702 [1,0,0,0,0,0|3,0,0]=4 55 B15R2.283 O=C1OCC(O1)COc2ccccc2 34a_100000210340_100000073702 [1,0,0,0,0,0|3,0,0]=4 56 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000073702_100000041952 [1,0,0,0,0,0|3,0,0]=4 57 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000719477_100000073702 [1,0,0,0,0,0|3,0,0]=4 58 B15R2.283 O=C1OCC(O1)NCc2ccccc2 34a_100015324214_100000032252 [1,0,0,0,0,0|3,0,0]=4 59 B15R2.283 O=C1OCC(O1)OCc2ccccc2 34a_100000210790_100000032252 [1,0,0,0,0,0|3,0,0]=4 60 B15R2.283 O=C1OCC(O1)SCc2ccccc2 62a_100000211182_100000032252 [1,0,0,0,0,0|3,0,0]=4 61 B15R2.283 Oc1nc(no1)CCc2ccccc2 270196a_100000212256_100015183105 [1,0,0,0,0,0|2,0,1]=4 62 B15R2.1259 CC(CN1CC=CC1)c2ccccc2 269982a_100015195280_100000756946 [1,0,0,0,0,0|3,0,0]=4 63 B15R2.1259 CC(Cc1c[nH]cn1)c2ccccc2 271570a_100000062452_100000756875 [1,0,0,0,0,0|1,0,2]=4 64 B15R2.1259 CC(Cc1ccoc1)c2ccccc2 271570a_100000062452_100011215275 [1,0,0,0,0,0|1,0,2]=4 65 B15R2.1259 CC(Cc1cscn1)c2ccccc2 271570a_100000062452_100000751502 [1,0,0,0,0,0|0,1,2]=4 66 B15R2.1259 CC(Cc1nc[nH]n1)c2ccccc2 271570a_100000062452_100000761765 [1,0,0,0,0,0|2,0,1]=4 67 B15R2.1259 CC(Cc1ncc[nH]1)c2ccccc2 271570a_100000062452_100025796157 [1,0,0,0,0,0|2,0,1]=4 68 B15R2.1259 CC(Cc1ncco1)c2ccccc2 271570a_100000062452_100011787736 [1,0,0,0,0,0|2,0,1]=4 69 B15R2.1259 CC(Cc1nccs1)c2ccccc2 271570a_100000062452_100000211983 [1,0,0,0,0,0|2,0,1]=4 70 B15R2.1259 CC(Cc1ncns1)c2ccccc2 271570a_100000062452_100000693119 [1,0,0,0,0,0|2,0,1]=4 71 B15R2.1259 CC(NC1CC=CC1)c2ccccc2 2230a_100015188752_100000230085 [1,0,0,0,0,0|3,0,0]=4 72 B15R2.1259 CC(NC1CC=CC1)c2ccccc2 269862a_100015188752_100000185851 [1,0,0,0,0,0|3,0,0]=4 73 B15R2.1259 CC(N[C@@H]1CCOC1)c2ccccc2 2230a_200015188469_100000230085 [1,0,0,0,0,0|2,0,1]=4 74 B15R2.1259 CC(N[C@@H]1CCOC1)c2ccccc2 269862a_200015188469_100000185851 [1,0,0,0,0,0|2,0,1]=4 75 B15R2.1259 CC(N[C@H]1CCOC1)c2ccccc2 2230a_100015188467_100000230085 [1,0,0,0,0,0|2,0,1]=4 76 B15R2.1259 CC(N[C@H]1CCOC1)c2ccccc2 269862a_100015188467_100000185851 [1,0,0,0,0,0|2,0,1]=4 77 B15R2.1259 CC(N[C@H]1CCOC1)c2ccccc2 34a_100015188467_100000211855 [1,0,0,0,0,0|2,0,1]=4 78 B15R2.1259 CC(O[C@H]1CCOC1)c2ccccc2 34a_100000717292_100000211855 [1,0,0,0,0,0|2,0,1]=4 79 B15R2.1259 CC(SC1CCOC1)c2ccccc2 62a_100000230085_100000690089 [1,0,0,0,0,0|2,0,1]=4 80 B15R2.1259 CN(CC1CCOC1)c2ccccc2 2230a_100000210012_100000702531 [1,0,0,0,0,0|2,0,1]=4 81 B15R2.1259 CN(CC1CCOC1)c2ccccc2 2230a_200000738387_200000210301 [1,0,0,0,0,0|2,0,1]=4 82 B15R2.1259 CN(CC1CCOC1)c2ccccc2 269982a_100000210012_100000702531 [1,0,0,0,0,0|2,0,1]=4 83 B15R2.1259 CN(CC1CCOC1)c2ccccc2 269982a_200000738387_200000210301 [1,0,0,0,0,0|2,0,1]=4 84 B15R2.1259 CN(CC1CCOC1)c2ccccc2 34a_100000210012_100011261433 [1,0,0,0,0,0|2,0,1]=4 85 B15R2.1259 CN(CC1CCOC1)c2ccccc2 34a_200000738387_200000210301 [1,0,0,0,0,0|2,0,1]=4 86 B15R2.1259 CN(Cc1ncon1)c2ccccc2 269982a_100000210012_100000233494 [1,0,0,0,0,0|2,0,1]=4 87 B15R2.1259 CN(Cc1ncon1)c2ccccc2 34a_100000210012_100000233494 [1,0,0,0,0,0|2,0,1]=4 88 B15R2.1259 C[C@@H](NC1CCOC1)c2ccccc2 2230a_100000751104_100000731011 [1,0,0,0,0,0|2,0,1]=4 89 B15R2.1259 C[C@@H](NC1CCOC1)c2ccccc2 270004a_100000751104_100000752484 [1,0,0,0,0,0|2,0,1]=4 90 B15R2.1259 C[C@@H](OC1CCOC1)c2ccccc2 34a_100000761318_100000690089 [1,0,0,0,0,0|2,0,1]=4 91 B15R2.1259 C[C@@H](OC1CCOC1)c2ccccc2 7a_100000761318_100000731011 [1,0,0,0,0,0|2,0,1]=4 92 B15R2.1259 [13CH3]N(CC1CCOC1)c2ccccc2 2230a_200000738387_200025704644 [1,0,0,0,0,0|2,0,1]=4 93 B15R2.1259 [13CH3]N(CC1CCOC1)c2ccccc2 269982a_200000738387_200025704644 [1,0,0,0,0,0|2,0,1]=4 94 B15R2.1259 [13CH3]N(CC1CCOC1)c2ccccc2 34a_200000738387_200025704644 [1,0,0,0,0,0|2,0,1]=4 95 B17R2.199 CC(OC1COC(=O)O1)c2ccc(cc2)Br 34a_100000745893_100000032252 [0,1,0,0,0,0|3,0,0]=4 96 B17R2.199 CC(OC1COC(=O)O1)c2ccc(cc2)F 34a_100000181323_100000032252 [0,1,0,0,0,0|3,0,0]=4 97 B17R2.199 CC(OC1COC(=O)O1)c2ccc(cc2)N 34a_100011216399_100000032252 [0,1,0,0,0,0|3,0,0]=4 98 B17R2.199 CC(SC1COC(=O)O1)c2ccc(cc2)Br 62a_100000755118_100000032252 [0,1,0,0,0,0|3,0,0]=4 99 B17R2.199 CC(SC1COC(=O)O1)c2ccc(cc2)Cl 62a_100000684792_100000032252 [0,1,0,0,0,0|3,0,0]=4 100 B17R2.199 CC(SC1COC(=O)O1)c2ccc(cc2)F 62a_100000743420_100000032252 [0,1,0,0,0,0|3,0,0]=4 101 B17R2.199 CN(CC1COC(=O)O1)c2ccc(cc2)Br 269982a_100000219623_100000073702 [0,1,0,0,0,0|3,0,0]=4 102 B17R2.199 CN(CC1COC(=O)O1)c2ccc(cc2)Br 34a_100000219623_100000073702 [0,1,0,0,0,0|3,0,0]=4 103 B17R2.199 CN(CC1COC(=O)O1)c2ccc(cc2)Cl 269982a_100020629279_100000073702 [0,1,0,0,0,0|3,0,0]=4 104 B17R2.199 CN(CC1COC(=O)O1)c2ccc(cc2)Cl 34a_100020629279_100000073702 [0,1,0,0,0,0|3,0,0]=4 105 B17R2.199 CN(CC1COC(=O)O1)c2ccc(cc2)F 269982a_100000219829_100000073702 [0,1,0,0,0,0|3,0,0]=4 106 B17R2.199 CN(CC1COC(=O)O1)c2ccc(cc2)F 34a_100000219829_100000073702 [0,1,0,0,0,0|3,0,0]=4 107 B17R2.199 CN(CC1COC(=O)O1)c2ccc(cc2)I 269982a_100000743151_100000073702 [0,1,0,0,0,0|3,0,0]=4 108 B17R2.199 CN(CC1COC(=O)O1)c2ccc(cc2)I 34a_100000743151_100000073702 [0,1,0,0,0,0|3,0,0]=4 109 B17R2.199 CN(CC1COC(=O)O1)c2ccc(cc2)O 269982a_100000182112_100000073702 [0,1,0,0,0,0|3,0,0]=4 110 B17R2.199 CN(CC1COC(=O)O1)c2ccc(cc2)O 34a_100000182112_100000073702 [0,1,0,0,0,0|3,0,0]=4 111 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)Br 2230a_100000219623_100015307671 [0,1,0,0,0,0|2,0,1]=4 112 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)Br 269982a_100000219623_100015307671 [0,1,0,0,0,0|2,0,1]=4 113 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)Br 34a_100000219623_100015307671 [0,1,0,0,0,0|2,0,1]=4 114 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)Cl 2230a_100020629279_100015307671 [0,1,0,0,0,0|2,0,1]=4 115 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)Cl 269982a_100020629279_100015307671 [0,1,0,0,0,0|2,0,1]=4 116 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)Cl 34a_100020629279_100015307671 [0,1,0,0,0,0|2,0,1]=4 117 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)F 2230a_100000219829_100015307671 [0,1,0,0,0,0|2,0,1]=4 118 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)F 269982a_100000219829_100015307671 [0,1,0,0,0,0|2,0,1]=4 119 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)F 34a_100000219829_100015307671 [0,1,0,0,0,0|2,0,1]=4 120 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)I 2230a_100000743151_100015307671 [0,1,0,0,0,0|2,0,1]=4 121 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)I 269982a_100000743151_100015307671 [0,1,0,0,0,0|2,0,1]=4 122 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)I 34a_100000743151_100015307671 [0,1,0,0,0,0|2,0,1]=4 123 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)O 269982a_100000182112_100015307671 [0,1,0,0,0,0|2,0,1]=4 124 B17R2.199 CN(C[C@H]1COC(=O)N1)c2ccc(cc2)O 34a_100000182112_100015307671 [0,1,0,0,0,0|2,0,1]=4 125 B17R2.199 C[C@@H](NC1COC(=O)O1)c2ccc(cc2)Cl 34a_100015205461_100000032252 [0,1,0,0,0,0|3,0,0]=4 126 B17R2.199 C[C@H](NC1COC(=O)O1)c2ccc(cc2)F 34a_100025705893_100000032252 [0,1,0,0,0,0|3,0,0]=4 127 B17R2.199 C[C@H](OC1COC(=O)O1)c2ccc(cc2)Cl 34a_100011852131_100000032252 [0,1,0,0,0,0|3,0,0]=4 128 B17R2.199 Cc1ccc(cc1)C(C)SC2COC(=O)O2 62a_100011261388_100000032252 [0,1,0,0,0,0|3,0,0]=4 129 B17R2.199 Cc1ccc(cc1)N(C)CC2COC(=O)O2 269982a_100000219977_100000073702 [0,1,0,0,0,0|3,0,0]=4 130 B17R2.199 Cc1ccc(cc1)N(C)CC2COC(=O)O2 34a_100000219977_100000073702 [0,1,0,0,0,0|3,0,0]=4 131 B17R2.199 Cc1ccc(cc1)N(C)C[C@H]2COC(=O)N2 2230a_100000219977_100015307671 [0,1,0,0,0,0|2,0,1]=4 132 B17R2.199 Cc1ccc(cc1)N(C)C[C@H]2COC(=O)N2 269982a_100000219977_100015307671 [0,1,0,0,0,0|2,0,1]=4 133 B17R2.199 Cc1ccc(cc1)N(C)C[C@H]2COC(=O)N2 34a_100000219977_100015307671 [0,1,0,0,0,0|2,0,1]=4 134 B17R2.199 Cc1ccc(cc1)[C@@H](C)NC2COC(=O)O2 34a_100016988085_100000032252 [0,1,0,0,0,0|3,0,0]=4 135 B17R2.199 Cc1ccc(cc1)[C@@H](C)OC2COC(=O)O2 34a_100000690690_100000032252 [0,1,0,0,0,0|3,0,0]=4 136 B17R2.2519 CCc1nc(no1)CC(C)c2ccccc2 271570a_100000062452_100012003642 [0,1,0,0,0,0|2,0,1]=4 137 B17R2.3252 CC(C)(SC1COC(=O)O1)c2ccccc2 62a_100000034625_100000032252 [0,1,0,0,0,0|3,0,0]=4 138 B17R2.3312 CC(Cc1cn(c(n1)N)C)c2ccccc2 271570a_100000062452_100025756272 [0,1,0,0,0,0|1,0,2]=4 139 B17R2.3312 CC(Cc1nc(n(n1)C)N)c2ccccc2 271570a_100000062452_200010296169 [0,1,0,0,0,0|2,0,1]=4 140 B17R2.3346 Cc1sc(nc1CC(C)c2ccccc2)N 271570a_100000062452_100009817509 [0,1,0,0,0,0|0,1,2]=4 141 B17R2.5282 CC(NC1COC(=O)O1)c2cccc(c2)Cl 34a_100102723534_100000032252 [0,1,0,0,0,0|3,0,0]=4 142 B17R2.5282 CC(OC1COC(=O)O1)c2cccc(c2)Br 34a_100000246457_100000032252 [0,1,0,0,0,0|3,0,0]=4 143 B17R2.5282 CC(OC1COC(=O)O1)c2cccc(c2)F 34a_100000744526_100000032252 [0,1,0,0,0,0|3,0,0]=4 144 B17R2.5282 CC(OC1COC(=O)O1)c2cccc(c2)I 34a_100013085317_100000032252 [0,1,0,0,0,0|3,0,0]=4 145 B17R2.5282 CC(OC1COC(=O)O1)c2cccc(c2)N 34a_100011217120_100000032252 [0,1,0,0,0,0|3,0,0]=4 146 B17R2.5282 CN(CC1COC(=O)O1)c2cccc(c2)Br 269982a_100000219648_100000073702 [0,1,0,0,0,0|3,0,0]=4 147 B17R2.5282 CN(CC1COC(=O)O1)c2cccc(c2)Br 34a_100000219648_100000073702 [0,1,0,0,0,0|3,0,0]=4 148 B17R2.5282 CN(CC1COC(=O)O1)c2cccc(c2)Cl 269982a_100000220044_100000073702 [0,1,0,0,0,0|3,0,0]=4 149 B17R2.5282 CN(CC1COC(=O)O1)c2cccc(c2)Cl 34a_100000220044_100000073702 [0,1,0,0,0,0|3,0,0]=4 150 B17R2.5282 CN(CC1COC(=O)O1)c2cccc(c2)F 269982a_100020633736_100000073702 [0,1,0,0,0,0|3,0,0]=4 151 B17R2.5282 CN(CC1COC(=O)O1)c2cccc(c2)F 34a_100020633736_100000073702 [0,1,0,0,0,0|3,0,0]=4 152 B17R2.5282 CN(CC1COC(=O)O1)c2cccc(c2)I 269982a_100000221217_100000073702 [0,1,0,0,0,0|3,0,0]=4 153 B17R2.5282 CN(CC1COC(=O)O1)c2cccc(c2)I 34a_100000221217_100000073702 [0,1,0,0,0,0|3,0,0]=4 154 B17R2.5282 CN(CC1COC(=O)O1)c2cccc(c2)O 269982a_100000756613_100000073702 [0,1,0,0,0,0|3,0,0]=4 155 B17R2.5282 CN(CC1COC(=O)O1)c2cccc(c2)O 34a_100000756613_100000073702 [0,1,0,0,0,0|3,0,0]=4 156 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)Br 2230a_100000219648_100015307671 [0,1,0,0,0,0|2,0,1]=4 157 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)Br 269982a_100000219648_100015307671 [0,1,0,0,0,0|2,0,1]=4 158 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)Br 34a_100000219648_100015307671 [0,1,0,0,0,0|2,0,1]=4 159 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)Cl 2230a_100000220044_100015307671 [0,1,0,0,0,0|2,0,1]=4 160 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)Cl 269982a_100000220044_100015307671 [0,1,0,0,0,0|2,0,1]=4 161 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)Cl 34a_100000220044_100015307671 [0,1,0,0,0,0|2,0,1]=4 162 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)F 2230a_100020633736_100015307671 [0,1,0,0,0,0|2,0,1]=4 163 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)F 269982a_100020633736_100015307671 [0,1,0,0,0,0|2,0,1]=4 164 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)F 34a_100020633736_100015307671 [0,1,0,0,0,0|2,0,1]=4 165 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)I 2230a_100000221217_100015307671 [0,1,0,0,0,0|2,0,1]=4 166 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)I 269982a_100000221217_100015307671 [0,1,0,0,0,0|2,0,1]=4 167 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)I 34a_100000221217_100015307671 [0,1,0,0,0,0|2,0,1]=4 168 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)O 2230a_100000756613_100015307671 [0,1,0,0,0,0|2,0,1]=4 169 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)O 269982a_100000756613_100015307671 [0,1,0,0,0,0|2,0,1]=4 170 B17R2.5282 CN(C[C@H]1COC(=O)N1)c2cccc(c2)O 34a_100000756613_100015307671 [0,1,0,0,0,0|2,0,1]=4 171 B17R2.5282 C[C@@H](NC1COC(=O)O1)c2cccc(c2)F 34a_100015193778_100000032252 [0,1,0,0,0,0|3,0,0]=4 172 B17R2.5282 C[C@@H](OC1COC(=O)O1)c2cccc(c2)Cl 34a_100000747380_100000032252 [0,1,0,0,0,0|3,0,0]=4 173 B17R2.5282 Cc1cccc(c1)C(C)OC2COC(=O)O2 34a_100000757818_100000032252 [0,1,0,0,0,0|3,0,0]=4 174 B17R2.5282 Cc1cccc(c1)N(C)CC2COC(=O)O2 269982a_100000219674_100000073702 [0,1,0,0,0,0|3,0,0]=4 175 B17R2.5282 Cc1cccc(c1)N(C)CC2COC(=O)O2 34a_100000219674_100000073702 [0,1,0,0,0,0|3,0,0]=4 176 B17R2.5282 Cc1cccc(c1)N(C)C[C@H]2COC(=O)N2 2230a_100000219674_100015307671 [0,1,0,0,0,0|2,0,1]=4 177 B17R2.5282 Cc1cccc(c1)N(C)C[C@H]2COC(=O)N2 269982a_100000219674_100015307671 [0,1,0,0,0,0|2,0,1]=4 178 B17R2.5282 Cc1cccc(c1)N(C)C[C@H]2COC(=O)N2 34a_100000219674_100015307671 [0,1,0,0,0,0|2,0,1]=4 179 B17R2.5282 Cc1cccc(c1)[C@@H](C)NC2COC(=O)O2 34a_100000698126_100000032252 [0,1,0,0,0,0|3,0,0]=4 180 B17R2.6039 CCC(OC1COC(=O)O1)c2ccccc2 34a_100000698172_100000032252 [0,1,0,0,0,0|3,0,0]=4 181 B17R2.6039 CCN(CC1COC(=O)O1)c2ccccc2 269982a_100000210013_100000073702 [0,1,0,0,0,0|3,0,0]=4 182 B17R2.6039 CCN(CC1COC(=O)O1)c2ccccc2 34a_100000210013_100000073702 [0,1,0,0,0,0|3,0,0]=4 183 B17R2.6039 CCN(C[C@H]1COC(=O)N1)c2ccccc2 2230a_100000210013_100015307671 [0,1,0,0,0,0|2,0,1]=4 184 B17R2.6039 CCN(C[C@H]1COC(=O)N1)c2ccccc2 269982a_100000210013_100015307671 [0,1,0,0,0,0|2,0,1]=4 185 B17R2.6039 CCN(C[C@H]1COC(=O)N1)c2ccccc2 34a_100000210013_100015307671 [0,1,0,0,0,0|2,0,1]=4 186 B17R2.6039 NCC(OC1COC(=O)O1)c2ccccc2 34a_100000210709_100000032252 [0,1,0,0,0,0|3,0,0]=4 187 B17R2.6039 O=C1OCC(O1)N[C@H](CO)c2ccccc2 34a_100000751927_100000032252 [0,1,0,0,0,0|3,0,0]=4 188 B17R2.6039 O=C1OCC(O1)O[C@H](CCl)c2ccccc2 34a_100011933945_100000032252 [0,1,0,0,0,0|3,0,0]=4 189 B17R2.8654 CC(C(=O)C1CSC(=N1)N)c2ccccc2 1458a_100000002200_100000230085 [0,1,0,0,0,0|0,1,1]=3 190 B17R2.8654 CN(C(=O)C1CSC(=N1)N)c2ccccc2 22a_100000210012_100000002200 [0,1,0,0,0,0|1,1,1]=4 191 B17R2.18632 CC(NC1COC(=O)O1)c2ccccc2Cl 34a_100000174978_100000032252 [0,1,0,0,0,0|3,0,0]=4 192 B17R2.18632 CC(NC1COC(=O)O1)c2ccccc2F 34a_100000181408_100000032252 [0,1,0,0,0,0|3,0,0]=4 193 B17R2.18632 CC(OC1COC(=O)O1)c2ccccc2Br 34a_100000702211_100000032252 [0,1,0,0,0,0|3,0,0]=4 194 B17R2.18632 CC(OC1COC(=O)O1)c2ccccc2Cl 34a_100000740796_100000032252 [0,1,0,0,0,0|3,0,0]=4 195 B17R2.18632 CC(OC1COC(=O)O1)c2ccccc2F 34a_100000697922_100000032252 [0,1,0,0,0,0|3,0,0]=4 196 B17R2.18632 CC(SC1COC(=O)O1)c2ccccc2Cl 62a_100000181259_100000032252 [0,1,0,0,0,0|3,0,0]=4 197 B17R2.18632 CC(SC1COC(=O)O1)c2ccccc2F 62a_200000741388_100000032252 [0,1,0,0,0,0|3,0,0]=4 198 B17R2.18632 CN(CC1COC(=O)O1)c2ccccc2Br 269982a_100020606079_100000073702 [0,1,0,0,0,0|3,0,0]=4 199 B17R2.18632 CN(CC1COC(=O)O1)c2ccccc2Br 34a_100020606079_100000073702 [0,1,0,0,0,0|3,0,0]=4 200 B17R2.18632 CN(CC1COC(=O)O1)c2ccccc2Cl 269982a_100000219374_100000073702 [0,1,0,0,0,0|3,0,0]=4 201 B17R2.18632 CN(CC1COC(=O)O1)c2ccccc2Cl 34a_100000219374_100000073702 [0,1,0,0,0,0|3,0,0]=4 202 B17R2.18632 CN(CC1COC(=O)O1)c2ccccc2F 269982a_100000220357_100000073702 [0,1,0,0,0,0|3,0,0]=4 203 B17R2.18632 CN(CC1COC(=O)O1)c2ccccc2F 34a_100000220357_100000073702 [0,1,0,0,0,0|3,0,0]=4 204 B17R2.18632 CN(CC1COC(=O)O1)c2ccccc2O 269982a_100000033821_100000073702 [0,1,0,0,0,0|3,0,0]=4 205 B17R2.18632 CN(C[C@H]1COC(=O)N1)c2ccccc2Br 2230a_100020606079_100015307671 [0,1,0,0,0,0|2,0,1]=4 206 B17R2.18632 CN(C[C@H]1COC(=O)N1)c2ccccc2Br 269982a_100020606079_100015307671 [0,1,0,0,0,0|2,0,1]=4 207 B17R2.18632 CN(C[C@H]1COC(=O)N1)c2ccccc2Br 34a_100020606079_100015307671 [0,1,0,0,0,0|2,0,1]=4 208 B17R2.18632 CN(C[C@H]1COC(=O)N1)c2ccccc2Cl 2230a_100000219374_100015307671 [0,1,0,0,0,0|2,0,1]=4 209 B17R2.18632 CN(C[C@H]1COC(=O)N1)c2ccccc2Cl 269982a_100000219374_100015307671 [0,1,0,0,0,0|2,0,1]=4 210 B17R2.18632 CN(C[C@H]1COC(=O)N1)c2ccccc2Cl 34a_100000219374_100015307671 [0,1,0,0,0,0|2,0,1]=4 211 B17R2.18632 CN(C[C@H]1COC(=O)N1)c2ccccc2F 2230a_100000220357_100015307671 [0,1,0,0,0,0|2,0,1]=4 212 B17R2.18632 CN(C[C@H]1COC(=O)N1)c2ccccc2F 269982a_100000220357_100015307671 [0,1,0,0,0,0|2,0,1]=4 213 B17R2.18632 CN(C[C@H]1COC(=O)N1)c2ccccc2F 34a_100000220357_100015307671 [0,1,0,0,0,0|2,0,1]=4 214 B17R2.18632 CN(C[C@H]1COC(=O)N1)c2ccccc2O 269982a_100000033821_100015307671 [0,1,0,0,0,0|2,0,1]=4 215 B17R2.18632 Cc1ccccc1C(C)NC2COC(=O)O2 34a_100000181355_100000032252 [0,1,0,0,0,0|3,0,0]=4 216 B17R2.18632 Cc1ccccc1C(C)OC2COC(=O)O2 34a_100000742021_100000032252 [0,1,0,0,0,0|3,0,0]=4 217 B17R2.18632 Cc1ccccc1N(C)CC2COC(=O)O2 269982a_100000219699_100000073702 [0,1,0,0,0,0|3,0,0]=4 218 B17R2.18632 Cc1ccccc1N(C)CC2COC(=O)O2 34a_100000219699_100000073702 [0,1,0,0,0,0|3,0,0]=4 219 B17R2.18632 Cc1ccccc1N(C)C[C@H]2COC(=O)N2 2230a_100000219699_100015307671 [0,1,0,0,0,0|2,0,1]=4 220 B17R2.18632 Cc1ccccc1N(C)C[C@H]2COC(=O)N2 269982a_100000219699_100015307671 [0,1,0,0,0,0|2,0,1]=4 221 B17R2.18632 Cc1ccccc1N(C)C[C@H]2COC(=O)N2 34a_100000219699_100015307671 [0,1,0,0,0,0|2,0,1]=4 222 B15R1.497 CC(=O)OCCCN(C)c1ccccc1 269982a_100000210012_100000042594 [0,0,1,0,0,0|3,0,0]=4 223 B15R1.497 CC(=O)OCCCN(C)c1ccccc1 34a_100000210012_100000042594 [0,0,1,0,0,0|3,0,0]=4 224 B15R1.497 CC(=O)OCCO[C@H](C)c1ccccc1 34a_100000761318_100009814007 [0,0,1,0,0,0|3,0,0]=4 225 B15R1.497 CC(=O)OCCO[C@H](C)c1ccccc1 7a_100000761318_100009814007 [0,0,1,0,0,0|3,0,0]=4 226 B15R1.497 CC(=O)OCCSC(C)c1ccccc1 62a_100000230085_100009814007 [0,0,1,0,0,0|3,0,0]=4 227 B15R1.497 CC(=O)OCCSC(C)c1ccccc1 62a_100009814007_100000230085 [0,0,1,0,0,0|3,0,0]=4 228 B15R1.497 CC(=O)OCNCC(C)c1ccccc1 34a_100000701038_100009813279 [0,0,1,0,0,0|3,0,0]=4 229 B15R1.497 CC(=O)OCOCC(C)c1ccccc1 34a_100011215166_100009813279 [0,0,1,0,0,0|3,0,0]=4 230 B15R1.497 CC(=O)OCSCC(C)c1ccccc1 62a_100000076356_100000756946 [0,0,1,0,0,0|3,0,0]=4 231 B15R1.497 CC(=O)OCSCC(C)c1ccccc1 62a_100000756946_100000076356 [0,0,1,0,0,0|3,0,0]=4 232 B15R1.497 CC(=S)OCCCN(C)c1ccccc1 2230a_100000210012_200135323944 [0,0,1,0,0,0|3,0,0]=4 233 B15R1.497 CC(=S)OCCCN(C)c1ccccc1 269982a_100000210012_200135323944 [0,0,1,0,0,0|3,0,0]=4 234 B15R1.497 CC(=S)OCCCN(C)c1ccccc1 34a_100000210012_200135323944 [0,0,1,0,0,0|3,0,0]=4 235 B15R1.497 CC(CNCCC(=O)N)c1ccccc1 2230a_100000701038_100000744528 [0,0,1,0,0,0|3,0,0]=4 236 B15R1.497 CC(CNCCC(=O)N)c1ccccc1 34a_100000701038_100000731001 [0,0,1,0,0,0|3,0,0]=4 237 B15R1.497 CC(COCCC(=O)N)c1ccccc1 34a_100000757172_100000756946 [0,0,1,0,0,0|3,0,0]=4 238 B15R1.497 CC(COCCC(=O)N)c1ccccc1 34a_100011215166_100000731001 [0,0,1,0,0,0|3,0,0]=4 239 B15R1.497 CC(COCCC(=O)N)c1ccccc1 7a_100000757172_100000756946 [0,0,1,0,0,0|3,0,0]=4 240 B15R1.497 CC(COCCC(=O)N)c1ccccc1 7a_100011215166_100000744528 [0,0,1,0,0,0|3,0,0]=4 241 B15R1.497 CC(CSCCC(=O)N)c1ccccc1 62a_100000744528_100000756946 [0,0,1,0,0,0|3,0,0]=4 242 B15R1.497 CC(CSCCC(=O)N)c1ccccc1 62a_100000756946_100000744528 [0,0,1,0,0,0|3,0,0]=4 243 B15R1.497 CC(NCCCC(=O)N)c1ccccc1 269862a_100000739312_100000185851 [0,0,1,0,0,0|3,0,0]=4 244 B15R1.497 CC(NCCCC(=O)N)c1ccccc1 34a_100000739312_100000211855 [0,0,1,0,0,0|3,0,0]=4 245 B15R1.497 CC(NCCNC(=O)N)c1ccccc1 269862a_100020590234_100000185851 [0,0,1,0,0,0|3,0,0]=4 246 B15R1.497 CC(NCCNC(=O)N)c1ccccc1 34a_100020590234_100000211855 [0,0,1,0,0,0|3,0,0]=4 247 B15R1.497 CC(OCCNC(=O)N)c1ccccc1 34a_100000181757_100000211855 [0,0,1,0,0,0|3,0,0]=4 248 B15R1.497 CC(OCCOC(=O)N)c1ccccc1 7a_100000766696_100000230085 [0,0,1,0,0,0|2,0,0]=3 249 B15R1.497 CC(SCCCC(=O)N)c1ccccc1 62a_100000230085_100102525003 [0,0,1,0,0,0|3,0,0]=4 250 B15R1.497 CC(SCCCC(=O)N)c1ccccc1 62a_100102525003_100000230085 [0,0,1,0,0,0|3,0,0]=4 251 B15R1.497 CC(SCCNC(=O)N)c1ccccc1 62a_100000230085_200000034859 [0,0,1,0,0,0|3,0,0]=4 252 B15R1.497 CC(SCCNC(=O)N)c1ccccc1 62a_200000034859_100000230085 [0,0,1,0,0,0|3,0,0]=4 253 B15R1.497 CC(SCCOC(=O)N)c1ccccc1 62a_100000230085_200011214921 [0,0,1,0,0,0|2,0,0]=3 254 B15R1.497 CC(SCCOC(=O)N)c1ccccc1 62a_200011214921_100000230085 [0,0,1,0,0,0|2,0,0]=3 255 B15R1.497 C[C@@H](NCCNC(=O)N)c1ccccc1 2230a_100000751104_200000034859 [0,0,1,0,0,0|3,0,0]=4 256 B15R1.497 C[C@@H](OCCCC(=O)N)c1ccccc1 34a_100000761318_100102525003 [0,0,1,0,0,0|3,0,0]=4 257 B15R1.497 C[C@@H](OCCCC(=O)N)c1ccccc1 7a_100000761318_100102525003 [0,0,1,0,0,0|3,0,0]=4 258 B15R1.497 C[C@@H](OCCNC(=O)N)c1ccccc1 7a_100000761318_200000034859 [0,0,1,0,0,0|3,0,0]=4 259 B15R1.497 C[C@@H](OCCOC(=O)N)c1ccccc1 34a_100000761318_200011214921 [0,0,1,0,0,0|2,0,0]=3 260 B15R1.497 C[C@@H](OCCOC(=O)N)c1ccccc1 7a_100000761318_200011214921 [0,0,1,0,0,0|2,0,0]=3 261 B15R1.549 C=CC[C@H](CO)NC(C)c1ccccc1 2230a_100020615467_100000230085 [0,0,1,0,0,0|3,0,0]=4 262 B15R1.549 C=CC[C@H](CO)NC(C)c1ccccc1 269862a_100020615467_100000185851 [0,0,1,0,0,0|3,0,0]=4 263 B15R1.959 COC(=O)CCCN(C)c1ccccc1 2230a_100000210012_100011218270 [0,0,1,0,0,0|3,0,0]=4 264 B15R1.959 COC(=O)CCCN(C)c1ccccc1 269982a_100000210012_100011218270 [0,0,1,0,0,0|3,0,0]=4 265 B15R1.959 COC(=O)CCCN(C)c1ccccc1 34a_100000210012_100000742333 [0,0,1,0,0,0|3,0,0]=4 266 B15R1.959 COC(=O)CCN[C@H](C)c1ccccc1 2230a_100000751104_100000204255 [0,0,1,0,0,0|3,0,0]=4 267 B15R1.959 COC(=O)CCO[C@H](C)c1ccccc1 34a_100000761318_100000742370 [0,0,1,0,0,0|3,0,0]=4 268 B15R1.959 COC(=O)CCO[C@H](C)c1ccccc1 7a_100000761318_100000204255 [0,0,1,0,0,0|3,0,0]=4 269 B15R1.959 COC(=O)CCSC(C)c1ccccc1 62a_100000204255_100000230085 [0,0,1,0,0,0|3,0,0]=4 270 B15R1.959 COC(=O)CCSC(C)c1ccccc1 62a_100000230085_100000204255 [0,0,1,0,0,0|3,0,0]=4 271 B15R1.959 COC(=O)CNCC(C)c1ccccc1 2230a_100000701038_100000747449 [0,0,1,0,0,0|3,0,0]=4 272 B15R1.959 COC(=O)CNCC(C)c1ccccc1 34a_100000701038_100000747449 [0,0,1,0,0,0|3,0,0]=4 273 B15R1.959 COC(=O)COCC(C)c1ccccc1 34a_100011215166_100000747449 [0,0,1,0,0,0|3,0,0]=4 274 B15R1.959 COC(=O)COCC(C)c1ccccc1 7a_100011215166_100000747449 [0,0,1,0,0,0|3,0,0]=4 275 B15R1.959 COC(=O)CSCC(C)c1ccccc1 62a_100000747449_100000756946 [0,0,1,0,0,0|3,0,0]=4 276 B15R1.959 COC(=O)CSCC(C)c1ccccc1 62a_100000756946_100000747449 [0,0,1,0,0,0|3,0,0]=4 277 B15R1.959 COC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000139417 [0,0,1,0,0,0|3,0,0]=4 278 B15R1.1076 CC(CN(C)CC(=O)N)c1ccccc1 2230a_100000739694_100000756946 [0,0,1,0,0,0|2,0,1]=4 279 B15R1.1076 CC(CN(C)CC(=O)N)c1ccccc1 270004a_100000739694_100000212034 [0,0,1,0,0,0|2,0,1]=4 280 B15R1.1076 CC(CN(C)CC(=O)O)c1ccccc1 269956a_100000746989_100000756946 [0,0,1,0,0,0|3,0,0]=4 281 B17R3.2396 O=C1OCC(O1)SC2Cc3c2cccc3 62a_100009813401_100000032252 [0,0,0,1,0,0|3,0,0]=4 282 B15R2.297 CC(c1ccccc1)c2noc(n2)O 270196a_100011215883_100015183105 [0,0,0,0,1,0|2,0,1]=4 283 B15R2.297 CN(c1ccccc1)C2COC(=O)O2 34a_100000210012_100000032252 [0,0,0,0,1,0|3,0,0]=4 284 B15R2.297 Cc1nc(no1)C(C)c2ccccc2 270196a_100011215883_100000070787 [0,0,0,0,1,0|2,0,1]=4 285 B15R2.612 C=C1CC(C1)NC(C)c2ccccc2 2230a_100132301982_100000230085 [0,0,0,0,1,0|3,0,0]=4 286 B15R2.612 C=C1CC(C1)NC(C)c2ccccc2 269862a_100132301982_100000185851 [0,0,0,0,1,0|3,0,0]=4 287 B15R2.612 CC(SC1CC(=O)C1)c2ccccc2 62a_100009894365_100000230085 [0,0,0,0,1,0|3,0,0]=4 288 B15R2.612 CN(CC1CC(=O)C1)c2ccccc2 2230a_100000210012_100009874392 [0,0,0,0,1,0|3,0,0]=4 289 B15R2.612 CN(CC1CC(=O)C1)c2ccccc2 269982a_100000210012_100009874392 [0,0,0,0,1,0|3,0,0]=4 290 B15R2.1130 CC(SC1CCC1=O)c2ccccc2 62a_100000230085_100009892977 [0,0,0,0,1,0|3,0,0]=4 291 B15R2.1130 CC(SC1CCC1=O)c2ccccc2 62a_100009892977_100000230085 [0,0,0,0,1,0|3,0,0]=4 292 B15R2.1130 C[C@@H](OC1CCC1=O)c2ccccc2 34a_100000761318_100009892977 [0,0,0,0,1,0|3,0,0]=4 293 B15R2.1130 C[C@@H](OC1CCC1=O)c2ccccc2 7a_100000761318_100009892977 [0,0,0,0,1,0|3,0,0]=4 294 B17R2.209 CC(Cc1ccc(cn1)N)c2ccccc2 271570a_100000062452_100000744251 [0,0,0,0,0,1|1,0,2]=4 295 B17R2.209 CC(Cc1ccc(nc1)N)c2ccccc2 271570a_100000062452_100000187370 [0,0,0,0,0,1|1,0,2]=4 296 B17R2.209 CC(Cc1ccc(nn1)N)c2ccccc2 271570a_100000062452_100009816609 [0,0,0,0,0,1|1,0,2]=4 297 B17R2.209 CC(Cc1cnc(cn1)N)c2ccccc2 271570a_100000062452_100000761932 [0,0,0,0,0,1|1,0,2]=4 298 B17R2.209 CC(Cc1cnc(nc1)N)c2ccccc2 271570a_100000062452_100000760574 [0,0,0,0,0,1|1,0,2]=4 299 B17R2.209 CC(Cc1cnc(nn1)N)c2ccccc2 271570a_100000062452_100000691435 [0,0,0,0,0,1|1,0,2]=4 300 B17R2.209 CC(Cc1ncc(cn1)N)c2ccccc2 271570a_100000062452_100000068403 [0,0,0,0,0,1|2,0,1]=4 301 B17R2.3229 CC(Cc1ccccc1)OC2COC(=O)O2 34a_100000748627_100000032252 [0,0,0,0,0,1|3,0,0]=4 302 B17R2.3229 CC(Cc1ccccc1)SC2COC(=O)O2 62a_200011218536_100000032252 [0,0,0,0,0,1|3,0,0]=4 303 B17R2.3229 CN(Cc1ccccc1)CC2COC(=O)O2 269982a_100000186898_100000073702 [0,0,0,0,0,1|3,0,0]=4 304 B17R2.3229 CN(Cc1ccccc1)C[C@H]2COC(=O)N2 2230a_100000186898_100015307671 [0,0,0,0,0,1|2,0,1]=4 305 B17R2.3229 CN(Cc1ccccc1)C[C@H]2COC(=O)N2 269982a_100000186898_100015307671 [0,0,0,0,0,1|2,0,1]=4 306 B17R2.3241 CC(CNC1CNC(=O)C1)c2ccccc2 2230a_100000697751_100000756946 [0,0,0,0,0,1|3,0,0]=4 307 B17R2.3241 CC(CNC1COC(=O)O1)c2ccccc2 34a_100000701038_100000032252 [0,0,0,0,0,1|2,0,0]=3 308 B17R2.3241 CC(COC1CCC(=O)C1)c2ccccc2 34a_100012614533_100000756946 [0,0,0,0,0,1|3,0,0]=4 309 B17R2.3241 CC(COC1CNC(=O)C1)c2ccccc2 34a_100000690082_100000756946 [0,0,0,0,0,1|3,0,0]=4 310 B17R2.3241 CC(COC1COC(=O)O1)c2ccccc2 34a_100011215166_100000032252 [0,0,0,0,0,1|2,0,0]=3 311 B17R2.3241 CC(CSC1COC(=O)O1)c2ccccc2 62a_100000756946_100000032252 [0,0,0,0,0,1|2,0,0]=3 312 B17R2.3241 CC(CSc1csc(n1)N)c2ccccc2 62a_100000756946_100011998049 [0,0,0,0,0,1|0,1,2]=4 313 B17R2.3241 CC(CSc1csc(n1)N)c2ccccc2 62a_100011998049_100000756946 [0,0,0,0,0,1|0,1,2]=4 314 B17R2.3241 CC(CSc1n[nH]c(n1)N)c2ccccc2 62a_100000756946_100015184587 [0,0,0,0,0,1|2,0,1]=4 315 B17R2.3241 CC(CSc1n[nH]c(n1)N)c2ccccc2 62a_100015184587_100000756946 [0,0,0,0,0,1|2,0,1]=4 316 B17R2.3241 CC(CSc1nc(cs1)N)c2ccccc2 62a_100000756946_200015188442 [0,0,0,0,0,1|2,0,1]=4 317 B17R2.3241 CC(CSc1nc(cs1)N)c2ccccc2 62a_200015188442_100000756946 [0,0,0,0,0,1|2,0,1]=4 318 B17R2.3241 CC(NCC1CNC(=O)C1)c2ccccc2 2230a_100016993742_100000230085 [0,0,0,0,0,1|3,0,0]=4 319 B17R2.3241 CC(NCC1CNC(=O)C1)c2ccccc2 269862a_100016993742_100000185851 [0,0,0,0,0,1|3,0,0]=4 320 B17R2.3241 CC(NCC1CNC(=O)C1)c2ccccc2 34a_100016993742_100000211855 [0,0,0,0,0,1|3,0,0]=4 321 B17R2.3241 CC(NC[C@H]1CCC(=O)N1)c2ccccc2 2230a_100015423886_100000230085 [0,0,0,0,0,1|2,0,1]=4 322 B17R2.3241 CC(NC[C@H]1CCC(=O)N1)c2ccccc2 269862a_100015423886_100000185851 [0,0,0,0,0,1|2,0,1]=4 323 B17R2.3241 CC(NC[C@H]1CCC(=O)N1)c2ccccc2 34a_100015423886_100000211855 [0,0,0,0,0,1|2,0,1]=4 324 B17R2.3241 CC(NC[C@H]1COC(=O)N1)c2ccccn2 2230a_100000181244_100015307671 [0,0,0,0,0,1|2,0,1]=4 325 B17R2.3241 CC(NC[C@H]1COC(=O)N1)c2cccnc2 2230a_100000195435_100015307671 [0,0,0,0,0,1|2,0,1]=4 326 B17R2.3241 CC(NC[C@H]1COC(=O)N1)c2ccncc2 2230a_100000181269_100015307671 [0,0,0,0,0,1|2,0,1]=4 327 B17R2.3241 CC(OCC1CCC(=O)N1)c2ccccc2 34a_100000737831_100000211855 [0,0,0,0,0,1|2,0,1]=4 328 B17R2.3241 CC(OCC1CNC(=O)C1)c2ccccc2 34a_100016041077_100000211855 [0,0,0,0,0,1|3,0,0]=4 329 B17R2.3241 CC(OCC1CNC(=O)O1)c2ccccc2 34a_100011315639_100000211855 [0,0,0,0,0,1|3,0,0]=4 330 B17R2.3241 CC(SCC1=CC(=O)OC1)c2ccccc2 62a_100000230085_100000716558 [0,0,0,0,0,1|2,0,1]=4 331 B17R2.3241 CC(SCC1=CC(=O)OC1)c2ccccc2 62a_100000716558_100000230085 [0,0,0,0,0,1|2,0,1]=4 332 B17R2.3241 CC(SCC1CNC(=O)O1)c2ccccc2 62a_100000181169_100000230085 [0,0,0,0,0,1|3,0,0]=4 333 B17R2.3241 CC(SCC1CNC(=O)O1)c2ccccc2 62a_100000230085_100000181169 [0,0,0,0,0,1|3,0,0]=4 334 B17R2.3241 CC(SCC1COC(=O)O1)c2ccccc2 62a_100000073702_100000230085 [0,0,0,0,0,1|2,0,0]=3 335 B17R2.3241 CC(SCC1COC(=O)O1)c2ccccc2 62a_100000230085_100000073702 [0,0,0,0,0,1|2,0,0]=3 336 B17R2.3241 CC(SC[C@@H]1CCC(=O)N1)c2ccccc2 62a_100000230085_100015189358 [0,0,0,0,0,1|2,0,1]=4 337 B17R2.3241 CC(SC[C@@H]1CCC(=O)N1)c2ccccc2 62a_100015189358_100000230085 [0,0,0,0,0,1|2,0,1]=4 338 B17R2.3241 CC(SC[C@H]1COC(=O)N1)c2ccccc2 62a_100000230085_100015307671 [0,0,0,0,0,1|1,0,1]=3 339 B17R2.3241 CC(SC[C@H]1COC(=O)N1)c2ccccc2 62a_100015307671_100000230085 [0,0,0,0,0,1|1,0,1]=3 340 B17R2.3241 C[C@@H](NCC1CNC(=O)O1)c2ccccc2 2230a_100000751104_100000181169 [0,0,0,0,0,1|3,0,0]=4 341 B17R2.3241 C[C@@H](NC[C@@H]1CCC(=O)N1)c2ccccc2 2230a_100000751104_100015189358 [0,0,0,0,0,1|2,0,1]=4 342 B17R2.3241 C[C@@H](NC[C@H]1COC(=O)N1)c2ccccc2 2230a_100000751104_100015307671 [0,0,0,0,0,1|1,0,1]=3 343 B17R2.3241 C[C@@H](OCC1=CC(=O)OC1)c2ccccc2 34a_100000761318_100000716558 [0,0,0,0,0,1|2,0,1]=4 344 B17R2.3241 C[C@@H](OCC1CNC(=O)O1)c2ccccc2 34a_100000761318_100000181169 [0,0,0,0,0,1|3,0,0]=4 345 B17R2.3241 C[C@@H](OCC1CNC(=O)O1)c2ccccc2 7a_100000761318_100000181169 [0,0,0,0,0,1|3,0,0]=4 346 B17R2.3241 C[C@@H](OCC1COC(=O)O1)c2ccccc2 34a_100000761318_100000073702 [0,0,0,0,0,1|2,0,0]=3 347 B17R2.3241 C[C@@H](OC[C@@H]1CCC(=O)N1)c2ccccc2 7a_100000761318_100015189358 [0,0,0,0,0,1|2,0,1]=4 348 B17R2.3241 C[C@@H](OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000761318_100015307671 [0,0,0,0,0,1|1,0,1]=3 349 B17R2.3241 C[C@@H](OC[C@H]1COC(=O)N1)c2ccccc2 7a_100000761318_100015307671 [0,0,0,0,0,1|1,0,1]=3 350 B17R2.3241 Cc1nc(co1)CN[C@H](C)c2ccccc2 207a_100000751104_100011361629 [0,0,0,0,0,1|1,0,2]=4 351 B17R2.3241 Cc1nc(co1)CN[C@H](C)c2ccccc2 270004a_100000751104_100011361629 [0,0,0,0,0,1|1,0,2]=4 352 B17R2.3241 Cc1nc(co1)COC(C)c2ccccc2 34a_100012017233_100000211855 [0,0,0,0,0,1|1,0,2]=4 353 B17R2.3241 Cc1nc(no1)CN[C@H](C)c2ccccc2 2230a_100000751104_100000231061 [0,0,0,0,0,1|2,0,1]=4 354 B17R2.3241 Cc1nc(no1)CO[C@H](C)c2ccccc2 34a_100000761318_100000231061 [0,0,0,0,0,1|2,0,1]=4 355 B17R2.3241 Cc1nc(no1)CO[C@H](C)c2ccccc2 7a_100000761318_100000231061 [0,0,0,0,0,1|2,0,1]=4 356 B17R2.3241 Cc1nc(no1)CSC(C)c2ccccc2 62a_100000230085_100000231061 [0,0,0,0,0,1|2,0,1]=4 357 B17R2.3241 Cc1nc(no1)CSC(C)c2ccccc2 62a_100000231061_100000230085 [0,0,0,0,0,1|2,0,1]=4 358 B17R2.3241 Cc1nc(no1)NCC(C)c2ccccc2 27a_100000701038_100012003639 [0,0,0,0,0,1|2,0,1]=4 359 B17R2.3241 Cc1nc(no1)SCC(C)c2ccccc2 62a_100000756946_100012003639 [0,0,0,0,0,1|2,0,1]=4 360 B17R2.3241 Cc1nc(no1)SCC(C)c2ccccc2 62a_100012003639_100000756946 [0,0,0,0,0,1|2,0,1]=4 361 B17R2.3241 N[C@H](COC1COC(=O)O1)c2ccccc2 34a_100000751927_100000032252 [0,0,0,0,0,1|3,0,0]=4 362 B17R2.3241 O=C1OCC(O1)SCC(O)c2ccccc2 62a_100000185958_100000032252 [0,0,0,0,0,1|3,0,0]=4 363 B17R2.3241 O=C1OCC(O1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000032252 [0,0,0,0,0,1|3,0,0]=4 364 B17R2.5293 CC(CN1CCOC(=O)C1)c2ccccc2 2230a_100000131268_100000756946 [0,0,0,0,0,1|3,0,0]=4 365 B17R2.5293 CC(CN1CCOC(=O)C1)c2ccccc2 270004a_100000131268_100000212034 [0,0,0,0,0,1|3,0,0]=4 366 B17R2.5293 CC(Cc1cccc(n1)N)c2ccccc2 271570a_100000062452_100000740741 [0,0,0,0,0,1|1,0,2]=4 367 B17R2.5293 CC(Cc1ccnc(n1)N)c2ccccc2 271570a_100000062452_100009820717 [0,0,0,0,0,1|1,0,2]=4 368 B17R2.5293 CC(Cc1cncc(n1)N)c2ccccc2 271570a_100000062452_100009819714 [0,0,0,0,0,1|1,0,2]=4 369 B17R2.5293 CC(Cc1nccc(n1)N)c2ccccc2 271570a_100000062452_100000757536 [0,0,0,0,0,1|1,0,2]=4 370 B17R2.5293 CC(Cc1ncnc(n1)N)c2ccccc2 271570a_100000062452_100000123831 [0,0,0,0,0,1|1,0,2]=4 371 B14R1.38 C=COCCN[C@H](C)c1ccccc1 2230a_100000751104_100000039644 [1,0,1,0,0,0|2,0,0]=4 372 B14R1.38 C=COCCOC(C)c1ccccc1 34a_100000033082_100000211855 [1,0,1,0,0,0|2,0,0]=4 373 B14R1.38 C=COCCO[C@H](C)c1ccccc1 34a_100000761318_100000039644 [1,0,1,0,0,0|2,0,0]=4 374 B14R1.38 C=COCCO[C@H](C)c1ccccc1 7a_100000761318_100000039644 [1,0,1,0,0,0|2,0,0]=4 375 B14R1.38 C=COCCSC(C)c1ccccc1 62a_100000039644_100000230085 [1,0,1,0,0,0|2,0,0]=4 376 B14R1.38 C=COCCSC(C)c1ccccc1 62a_100000230085_100000039644 [1,0,1,0,0,0|2,0,0]=4 377 B14R1.422 NC(=O)OCCNCc1ccccc1 34a_100015324214_200011214921 [1,0,1,0,0,0|2,0,0]=4 378 B14R1.422 NC(=O)OCCOCc1ccccc1 34a_100000210790_200011214921 [1,0,1,0,0,0|2,0,0]=4 379 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000210790_200011214921 [1,0,1,0,0,0|2,0,0]=4 380 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000766696_100000211182 [1,0,1,0,0,0|2,0,0]=4 381 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_100000211182_200011214921 [1,0,1,0,0,0|2,0,0]=4 382 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_200011214921_100015291786 [1,0,1,0,0,0|2,0,0]=4 383 B14R1.58 C=C[C@@H](CO)NC(C)c1ccccc1 2230a_100016989147_100000230085 [1,0,1,0,0,0|2,0,0]=4 384 B14R1.58 C=C[C@@H](CO)NC(C)c1ccccc1 269862a_100016989147_100000185851 [1,0,1,0,0,0|2,0,0]=4 385 B14R1.58 C=C[C@@H](CO)NC(C)c1ccccc1 34a_100016989147_100000211855 [1,0,1,0,0,0|2,0,0]=4 386 B16R1.613 CC(c1ccccc1)N(C)CCOC(=O)N 269982a_100000195388_200011214921 [0,1,1,0,0,0|2,0,0]=4 387 B16R1.613 C[C@H](C(=O)CCOC(=O)N)c1ccccc1 1458a_100000751047_200011214921 [0,1,1,0,0,0|1,0,1]=4 388 B16R1.1026 CC(OCCOC(=O)N)c1ccc(cc1)Br 34a_100000745893_200011214921 [0,1,1,0,0,0|2,0,0]=4 389 B16R1.1026 CC(OCCOC(=O)N)c1ccc(cc1)Br 7a_100000745893_200011214921 [0,1,1,0,0,0|2,0,0]=4 390 B16R1.1026 CC(OCCOC(=O)N)c1ccc(cc1)Cl 7a_100000766696_100000684792 [0,1,1,0,0,0|2,0,0]=4 391 B16R1.1026 CC(OCCOC(=O)N)c1ccc(cc1)F 34a_100000181323_200011214921 [0,1,1,0,0,0|2,0,0]=4 392 B16R1.1026 CC(OCCOC(=O)N)c1ccc(cc1)F 7a_100000181323_200011214921 [0,1,1,0,0,0|2,0,0]=4 393 B16R1.1026 CC(OCCOC(=O)N)c1ccc(cc1)F 7a_100000766696_100000743420 [0,1,1,0,0,0|2,0,0]=4 394 B16R1.1026 CC(OCCOC(=O)N)c1ccc(cc1)N 34a_100011216399_200011214921 [0,1,1,0,0,0|2,0,0]=4 395 B16R1.1026 CC(SCCOC(=O)N)c1ccc(cc1)Br 62a_100000755118_200011214921 [0,1,1,0,0,0|2,0,0]=4 396 B16R1.1026 CC(SCCOC(=O)N)c1ccc(cc1)Br 62a_200011214921_100000755118 [0,1,1,0,0,0|2,0,0]=4 397 B16R1.1026 CC(SCCOC(=O)N)c1ccc(cc1)Cl 62a_100000684792_200011214921 [0,1,1,0,0,0|2,0,0]=4 398 B16R1.1026 CC(SCCOC(=O)N)c1ccc(cc1)Cl 62a_200011214921_100000684792 [0,1,1,0,0,0|2,0,0]=4 399 B16R1.1026 CC(SCCOC(=O)N)c1ccc(cc1)F 62a_100000743420_200011214921 [0,1,1,0,0,0|2,0,0]=4 400 B16R1.1026 CC(SCCOC(=O)N)c1ccc(cc1)F 62a_200011214921_100000743420 [0,1,1,0,0,0|2,0,0]=4 401 B16R1.1026 C[C@@H](NCCOC(=O)N)c1ccc(cc1)Cl 34a_100015205461_200011214921 [0,1,1,0,0,0|2,0,0]=4 402 B16R1.1026 C[C@H](NCCOC(=O)N)c1ccc(cc1)F 34a_100025705893_200011214921 [0,1,1,0,0,0|2,0,0]=4 403 B16R1.1026 C[C@H](OCCOC(=O)N)c1ccc(cc1)Cl 34a_100011852131_200011214921 [0,1,1,0,0,0|2,0,0]=4 404 B16R1.1026 C[C@H](OCCOC(=O)N)c1ccc(cc1)Cl 7a_100011852131_200011214921 [0,1,1,0,0,0|2,0,0]=4 405 B16R1.1026 Cc1ccc(cc1)C(C)OCCOC(=O)N 7a_100000766696_100011261388 [0,1,1,0,0,0|2,0,0]=4 406 B16R1.1026 Cc1ccc(cc1)C(C)SCCOC(=O)N 62a_100011261388_200011214921 [0,1,1,0,0,0|2,0,0]=4 407 B16R1.1026 Cc1ccc(cc1)C(C)SCCOC(=O)N 62a_200011214921_100011261388 [0,1,1,0,0,0|2,0,0]=4 408 B16R1.1026 Cc1ccc(cc1)[C@@H](C)NCCOC(=O)N 34a_100016988085_200011214921 [0,1,1,0,0,0|2,0,0]=4 409 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCOC(=O)N 34a_100000690690_200011214921 [0,1,1,0,0,0|2,0,0]=4 410 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCOC(=O)N 7a_100000690690_200011214921 [0,1,1,0,0,0|2,0,0]=4 411 B16R1.1132 CC(COCCC(=NO)N)c1ccccc1 34a_100000749954_100000756946 [0,1,1,0,0,0|2,0,0]=4 412 B16R1.1132 CNC(=O)OCCO[C@H](C)c1ccccc1 34a_100000761318_200011997002 [0,1,1,0,0,0|2,0,0]=4 413 B16R1.1132 CNC(=O)OCCO[C@H](C)c1ccccc1 7a_100000761318_200011997002 [0,1,1,0,0,0|2,0,0]=4 414 B16R1.1132 CNC(=O)OCCSC(C)c1ccccc1 62a_100000230085_200011997002 [0,1,1,0,0,0|2,0,0]=4 415 B16R1.1132 CNC(=O)OCCSC(C)c1ccccc1 62a_200011997002_100000230085 [0,1,1,0,0,0|2,0,0]=4 416 B16R1.1277 CC(C)(OCCOC(=O)N)c1ccccc1 7a_100000694644_200011214921 [0,1,1,0,0,0|2,0,0]=4 417 B16R1.1277 CC(C)(SCCOC(=O)N)c1ccccc1 62a_100000034625_200011214921 [0,1,1,0,0,0|2,0,0]=4 418 B16R1.1277 CC(C)(SCCOC(=O)N)c1ccccc1 62a_200011214921_100000034625 [0,1,1,0,0,0|2,0,0]=4 419 B16R1.2929 CCC(OCCOC(=O)N)c1ccccc1 34a_100000698172_200011214921 [0,1,1,0,0,0|2,0,0]=4 420 B16R1.2929 CCC(OCCOC(=O)N)c1ccccc1 7a_100000698172_200011214921 [0,1,1,0,0,0|2,0,0]=4 421 B16R1.2929 NC(=O)OCCN[C@H](CO)c1ccccc1 34a_100000751927_200011214921 [0,1,1,0,0,0|2,0,0]=4 422 B16R1.2929 NC(=O)OCCOC(CBr)c1ccccc1 7a_100000185958_200011214921 [0,1,1,0,0,0|2,0,0]=4 423 B16R1.2929 NC(=O)OCCO[C@H](CCl)c1ccccc1 34a_100011933945_200011214921 [0,1,1,0,0,0|2,0,0]=4 424 B16R1.2929 NC(=O)OCCO[C@H](CCl)c1ccccc1 7a_100011933945_200011214921 [0,1,1,0,0,0|2,0,0]=4 425 B16R1.2929 NCC(OCCOC(=O)N)c1ccccc1 34a_100000210709_200011214921 [0,1,1,0,0,0|2,0,0]=4 426 B16R1.10817 CC(NCCOC(=O)N)c1ccccc1Cl 34a_100000174978_200011214921 [0,1,1,0,0,0|2,0,0]=4 427 B16R1.10817 CC(NCCOC(=O)N)c1ccccc1F 34a_100000181408_200011214921 [0,1,1,0,0,0|2,0,0]=4 428 B16R1.10817 CC(OCCOC(=O)N)c1ccccc1Br 34a_100000702211_200011214921 [0,1,1,0,0,0|2,0,0]=4 429 B16R1.10817 CC(OCCOC(=O)N)c1ccccc1Br 7a_100000702211_200011214921 [0,1,1,0,0,0|2,0,0]=4 430 B16R1.10817 CC(OCCOC(=O)N)c1ccccc1Cl 34a_100000740796_200011214921 [0,1,1,0,0,0|2,0,0]=4 431 B16R1.10817 CC(OCCOC(=O)N)c1ccccc1Cl 7a_100000740796_200011214921 [0,1,1,0,0,0|2,0,0]=4 432 B16R1.10817 CC(OCCOC(=O)N)c1ccccc1Cl 7a_100000766696_100000181259 [0,1,1,0,0,0|2,0,0]=4 433 B16R1.10817 CC(OCCOC(=O)N)c1ccccc1F 34a_100000697922_200011214921 [0,1,1,0,0,0|2,0,0]=4 434 B16R1.10817 CC(OCCOC(=O)N)c1ccccc1F 7a_100000697922_200011214921 [0,1,1,0,0,0|2,0,0]=4 435 B16R1.10817 CC(OCCOC(=O)N)c1ccccc1F 7a_100000766696_200000741388 [0,1,1,0,0,0|2,0,0]=4 436 B16R1.10817 CC(OCCOC(=O)N)c1ccccc1N 7a_100011405641_200011214921 [0,1,1,0,0,0|2,0,0]=4 437 B16R1.10817 CC(SCCOC(=O)N)c1ccccc1Cl 62a_100000181259_200011214921 [0,1,1,0,0,0|2,0,0]=4 438 B16R1.10817 CC(SCCOC(=O)N)c1ccccc1Cl 62a_200011214921_100000181259 [0,1,1,0,0,0|2,0,0]=4 439 B16R1.10817 CC(SCCOC(=O)N)c1ccccc1F 62a_200000741388_200011214921 [0,1,1,0,0,0|2,0,0]=4 440 B16R1.10817 CC(SCCOC(=O)N)c1ccccc1F 62a_200011214921_200000741388 [0,1,1,0,0,0|2,0,0]=4 441 B16R1.10817 Cc1ccccc1C(C)NCCOC(=O)N 34a_100000181355_200011214921 [0,1,1,0,0,0|2,0,0]=4 442 B16R1.10817 Cc1ccccc1C(C)OCCOC(=O)N 34a_100000742021_200011214921 [0,1,1,0,0,0|2,0,0]=4 443 B16R1.10817 Cc1ccccc1C(C)OCCOC(=O)N 7a_100000742021_200011214921 [0,1,1,0,0,0|2,0,0]=4 444 B16R1.11186 CC(NCCOC(=O)N)c1cccc(c1)Cl 34a_100102723534_200011214921 [0,1,1,0,0,0|2,0,0]=4 445 B16R1.11186 CC(OCCOC(=O)N)c1cccc(c1)Br 34a_100000246457_200011214921 [0,1,1,0,0,0|2,0,0]=4 446 B16R1.11186 CC(OCCOC(=O)N)c1cccc(c1)Br 7a_100000246457_200011214921 [0,1,1,0,0,0|2,0,0]=4 447 B16R1.11186 CC(OCCOC(=O)N)c1cccc(c1)F 34a_100000744526_200011214921 [0,1,1,0,0,0|2,0,0]=4 448 B16R1.11186 CC(OCCOC(=O)N)c1cccc(c1)F 7a_100000744526_200011214921 [0,1,1,0,0,0|2,0,0]=4 449 B16R1.11186 CC(OCCOC(=O)N)c1cccc(c1)I 34a_100013085317_200011214921 [0,1,1,0,0,0|2,0,0]=4 450 B16R1.11186 CC(OCCOC(=O)N)c1cccc(c1)I 7a_100013085317_200011214921 [0,1,1,0,0,0|2,0,0]=4 451 B16R1.11186 CC(OCCOC(=O)N)c1cccc(c1)N 34a_100011217120_200011214921 [0,1,1,0,0,0|2,0,0]=4 452 B16R1.11186 CC(OCCOC(=O)N)c1cccc(c1)N 7a_100011217120_200011214921 [0,1,1,0,0,0|2,0,0]=4 453 B16R1.11186 C[C@@H](NCCOC(=O)N)c1cccc(c1)F 34a_100015193778_200011214921 [0,1,1,0,0,0|2,0,0]=4 454 B16R1.11186 C[C@@H](OCCOC(=O)N)c1cccc(c1)Cl 34a_100000747380_200011214921 [0,1,1,0,0,0|2,0,0]=4 455 B16R1.11186 C[C@@H](OCCOC(=O)N)c1cccc(c1)Cl 7a_100000747380_200011214921 [0,1,1,0,0,0|2,0,0]=4 456 B16R1.11186 Cc1cccc(c1)C(C)OCCOC(=O)N 34a_100000757818_200011214921 [0,1,1,0,0,0|2,0,0]=4 457 B16R1.11186 Cc1cccc(c1)C(C)OCCOC(=O)N 7a_100000757818_200011214921 [0,1,1,0,0,0|2,0,0]=4 458 B16R1.11186 Cc1cccc(c1)[C@@H](C)NCCOC(=O)N 34a_100000698126_200011214921 [0,1,1,0,0,0|2,0,0]=4 459 B16R2.2843 NC1=NC(CS1)C(=O)Cc2ccccc2 1458a_100000002200_100015291786 [1,1,0,0,0,0|0,1,1]=4 460 B18R2.3715 CC(Cc1ccccc1)C(=O)C2CSC(=N2)N 1458a_100000002200_200011218536 [0,1,0,0,0,1|0,1,1]=4 461 B18R2.3702 CC(CC(=O)C1CSC(=N1)N)c2ccccc2 1458a_100000002200_100000756946 [0,1,0,0,0,1|0,1,0]=3 462 B18R2.3702 C[C@@H](NC(=O)C1CSC(=N1)N)c2ccccc2 240690a_100000751104_100000002200 [0,1,0,0,0,1|0,1,1]=4 463 B18R2.3702 NC1=NC(CS1)C(=O)CC(O)c2ccccc2 1458a_100000002200_100000185958 [0,1,0,0,0,1|1,1,0]=4 464 B18R2.3702 NC1=NC(CS1)C(=O)C[C@@H](O)c2ccccc2 1458a_100000002200_100011933945 [0,1,0,0,0,1|1,1,0]=4 465 B18R2.3763 CC(CNC1COC(=O)O1)c2ccc(cc2)O 34a_200015188644_100000032252 [0,1,0,0,0,1|2,0,0]=4 466 B18R2.3763 CC(OCC1COC(=O)O1)c2ccc(cc2)Br 34a_100000745893_100000073702 [0,1,0,0,0,1|2,0,0]=4 467 B18R2.3763 CC(OCC1COC(=O)O1)c2ccc(cc2)F 34a_100000181323_100000073702 [0,1,0,0,0,1|2,0,0]=4 468 B18R2.3763 CC(OCC1COC(=O)O1)c2ccc(cc2)N 34a_100011216399_100000073702 [0,1,0,0,0,1|2,0,0]=4 469 B18R2.3763 CC(OC[C@H]1COC(=O)N1)c2ccc(cc2)Br 34a_100000745893_100015307671 [0,1,0,0,0,1|1,0,1]=4 470 B18R2.3763 CC(OC[C@H]1COC(=O)N1)c2ccc(cc2)Br 7a_100000745893_100015307671 [0,1,0,0,0,1|1,0,1]=4 471 B18R2.3763 CC(OC[C@H]1COC(=O)N1)c2ccc(cc2)F 34a_100000181323_100015307671 [0,1,0,0,0,1|1,0,1]=4 472 B18R2.3763 CC(OC[C@H]1COC(=O)N1)c2ccc(cc2)F 7a_100000181323_100015307671 [0,1,0,0,0,1|1,0,1]=4 473 B18R2.3763 CC(OC[C@H]1COC(=O)N1)c2ccc(cc2)N 34a_100011216399_100015307671 [0,1,0,0,0,1|1,0,1]=4 474 B18R2.3763 CC(SCC1COC(=O)O1)c2ccc(cc2)Br 62a_100000073702_100000755118 [0,1,0,0,0,1|2,0,0]=4 475 B18R2.3763 CC(SCC1COC(=O)O1)c2ccc(cc2)Br 62a_100000755118_100000073702 [0,1,0,0,0,1|2,0,0]=4 476 B18R2.3763 CC(SCC1COC(=O)O1)c2ccc(cc2)Cl 62a_100000073702_100000684792 [0,1,0,0,0,1|2,0,0]=4 477 B18R2.3763 CC(SCC1COC(=O)O1)c2ccc(cc2)Cl 62a_100000684792_100000073702 [0,1,0,0,0,1|2,0,0]=4 478 B18R2.3763 CC(SCC1COC(=O)O1)c2ccc(cc2)F 62a_100000073702_100000743420 [0,1,0,0,0,1|2,0,0]=4 479 B18R2.3763 CC(SCC1COC(=O)O1)c2ccc(cc2)F 62a_100000743420_100000073702 [0,1,0,0,0,1|2,0,0]=4 480 B18R2.3763 CC(SC[C@H]1COC(=O)N1)c2ccc(cc2)Br 62a_100000755118_100015307671 [0,1,0,0,0,1|1,0,1]=4 481 B18R2.3763 CC(SC[C@H]1COC(=O)N1)c2ccc(cc2)Br 62a_100015307671_100000755118 [0,1,0,0,0,1|1,0,1]=4 482 B18R2.3763 CC(SC[C@H]1COC(=O)N1)c2ccc(cc2)Cl 62a_100000684792_100015307671 [0,1,0,0,0,1|1,0,1]=4 483 B18R2.3763 CC(SC[C@H]1COC(=O)N1)c2ccc(cc2)Cl 62a_100015307671_100000684792 [0,1,0,0,0,1|1,0,1]=4 484 B18R2.3763 CC(SC[C@H]1COC(=O)N1)c2ccc(cc2)F 62a_100000743420_100015307671 [0,1,0,0,0,1|1,0,1]=4 485 B18R2.3763 CC(SC[C@H]1COC(=O)N1)c2ccc(cc2)F 62a_100015307671_100000743420 [0,1,0,0,0,1|1,0,1]=4 486 B18R2.3763 C[C@@H](NCC1COC(=O)O1)c2ccc(cc2)Cl 34a_100015205461_100000073702 [0,1,0,0,0,1|2,0,0]=4 487 B18R2.3763 C[C@@H](NC[C@H]1COC(=O)N1)c2ccc(cc2)Br 2230a_100000720352_100015307671 [0,1,0,0,0,1|1,0,1]=4 488 B18R2.3763 C[C@@H](NC[C@H]1COC(=O)N1)c2ccc(cc2)Cl 2230a_100015205461_100015307671 [0,1,0,0,0,1|1,0,1]=4 489 B18R2.3763 C[C@@H](NC[C@H]1COC(=O)N1)c2ccc(cc2)Cl 34a_100015205461_100015307671 [0,1,0,0,0,1|1,0,1]=4 490 B18R2.3763 C[C@H](NCC1COC(=O)O1)c2ccc(cc2)F 34a_100025705893_100000073702 [0,1,0,0,0,1|2,0,0]=4 491 B18R2.3763 C[C@H](NC[C@H]1COC(=O)N1)c2ccc(cc2)F 2230a_100025705893_100015307671 [0,1,0,0,0,1|1,0,1]=4 492 B18R2.3763 C[C@H](NC[C@H]1COC(=O)N1)c2ccc(cc2)F 34a_100025705893_100015307671 [0,1,0,0,0,1|1,0,1]=4 493 B18R2.3763 C[C@H](NC[C@H]1COC(=O)N1)c2ccc(cc2)I 2230a_100000753911_100015307671 [0,1,0,0,0,1|1,0,1]=4 494 B18R2.3763 C[C@H](NC[C@H]1COC(=O)N1)c2ccc(cc2)O 2230a_100161106496_100015307671 [0,1,0,0,0,1|1,0,1]=4 495 B18R2.3763 C[C@H](OCC1COC(=O)O1)c2ccc(cc2)Cl 34a_100011852131_100000073702 [0,1,0,0,0,1|2,0,0]=4 496 B18R2.3763 C[C@H](OC[C@H]1COC(=O)N1)c2ccc(cc2)Cl 34a_100011852131_100015307671 [0,1,0,0,0,1|1,0,1]=4 497 B18R2.3763 C[C@H](OC[C@H]1COC(=O)N1)c2ccc(cc2)Cl 7a_100011852131_100015307671 [0,1,0,0,0,1|1,0,1]=4 498 B18R2.3763 Cc1ccc(cc1)C(C)SCC2COC(=O)O2 62a_100000073702_100011261388 [0,1,0,0,0,1|2,0,0]=4 499 B18R2.3763 Cc1ccc(cc1)C(C)SCC2COC(=O)O2 62a_100011261388_100000073702 [0,1,0,0,0,1|2,0,0]=4 500 B18R2.3763 Cc1ccc(cc1)C(C)SC[C@H]2COC(=O)N2 62a_100011261388_100015307671 [0,1,0,0,0,1|1,0,1]=4 501 B18R2.3763 Cc1ccc(cc1)C(C)SC[C@H]2COC(=O)N2 62a_100015307671_100011261388 [0,1,0,0,0,1|1,0,1]=4 502 B18R2.3763 Cc1ccc(cc1)[C@@H](C)NCC2COC(=O)O2 34a_100016988085_100000073702 [0,1,0,0,0,1|2,0,0]=4 503 B18R2.3763 Cc1ccc(cc1)[C@@H](C)NC[C@H]2COC(=O)N2 2230a_100016988085_100015307671 [0,1,0,0,0,1|1,0,1]=4 504 B18R2.3763 Cc1ccc(cc1)[C@@H](C)NC[C@H]2COC(=O)N2 34a_100016988085_100015307671 [0,1,0,0,0,1|1,0,1]=4 505 B18R2.3763 Cc1ccc(cc1)[C@@H](C)OCC2COC(=O)O2 34a_100000690690_100000073702 [0,1,0,0,0,1|2,0,0]=4 506 B18R2.3763 Cc1ccc(cc1)[C@@H](C)OC[C@H]2COC(=O)N2 34a_100000690690_100015307671 [0,1,0,0,0,1|1,0,1]=4 507 B18R2.3763 Cc1ccc(cc1)[C@@H](C)OC[C@H]2COC(=O)N2 7a_100000690690_100015307671 [0,1,0,0,0,1|1,0,1]=4 508 B18R2.3918 CC(NCC1COC(=O)O1)c2cccc(c2)Cl 34a_100102723534_100000073702 [0,1,0,0,0,1|2,0,0]=4 509 B18R2.3918 CC(NC[C@H]1COC(=O)N1)c2cccc(c2)Br 2230a_100020642005_100015307671 [0,1,0,0,0,1|1,0,1]=4 510 B18R2.3918 CC(NC[C@H]1COC(=O)N1)c2cccc(c2)Cl 2230a_100102723534_100015307671 [0,1,0,0,0,1|1,0,1]=4 511 B18R2.3918 CC(NC[C@H]1COC(=O)N1)c2cccc(c2)Cl 34a_100102723534_100015307671 [0,1,0,0,0,1|1,0,1]=4 512 B18R2.3918 CC(NC[C@H]1COC(=O)N1)c2cccc(c2)O 2230a_100000740644_100015307671 [0,1,0,0,0,1|1,0,1]=4 513 B18R2.3918 CC(OCC1COC(=O)O1)c2cccc(c2)Br 34a_100000246457_100000073702 [0,1,0,0,0,1|2,0,0]=4 514 B18R2.3918 CC(OCC1COC(=O)O1)c2cccc(c2)F 34a_100000744526_100000073702 [0,1,0,0,0,1|2,0,0]=4 515 B18R2.3918 CC(OCC1COC(=O)O1)c2cccc(c2)I 34a_100013085317_100000073702 [0,1,0,0,0,1|2,0,0]=4 516 B18R2.3918 CC(OCC1COC(=O)O1)c2cccc(c2)N 34a_100011217120_100000073702 [0,1,0,0,0,1|2,0,0]=4 517 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)Br 34a_100000246457_100015307671 [0,1,0,0,0,1|1,0,1]=4 518 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)Br 7a_100000246457_100015307671 [0,1,0,0,0,1|1,0,1]=4 519 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)F 34a_100000744526_100015307671 [0,1,0,0,0,1|1,0,1]=4 520 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)F 7a_100000744526_100015307671 [0,1,0,0,0,1|1,0,1]=4 521 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)I 34a_100013085317_100015307671 [0,1,0,0,0,1|1,0,1]=4 522 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)I 7a_100013085317_100015307671 [0,1,0,0,0,1|1,0,1]=4 523 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)N 34a_100011217120_100015307671 [0,1,0,0,0,1|1,0,1]=4 524 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)N 7a_100011217120_100015307671 [0,1,0,0,0,1|1,0,1]=4 525 B18R2.3918 C[C@@H](NCC1COC(=O)O1)c2cccc(c2)F 34a_100015193778_100000073702 [0,1,0,0,0,1|2,0,0]=4 526 B18R2.3918 C[C@@H](NC[C@H]1COC(=O)N1)c2cccc(c2)F 2230a_100015193778_100015307671 [0,1,0,0,0,1|1,0,1]=4 527 B18R2.3918 C[C@@H](NC[C@H]1COC(=O)N1)c2cccc(c2)F 34a_100015193778_100015307671 [0,1,0,0,0,1|1,0,1]=4 528 B18R2.3918 C[C@@H](OCC1COC(=O)O1)c2cccc(c2)Cl 34a_100000747380_100000073702 [0,1,0,0,0,1|2,0,0]=4 529 B18R2.3918 C[C@@H](OC[C@H]1COC(=O)N1)c2cccc(c2)Cl 34a_100000747380_100015307671 [0,1,0,0,0,1|1,0,1]=4 530 B18R2.3918 C[C@@H](OC[C@H]1COC(=O)N1)c2cccc(c2)Cl 7a_100000747380_100015307671 [0,1,0,0,0,1|1,0,1]=4 531 B18R2.3918 Cc1cccc(c1)C(C)OCC2COC(=O)O2 34a_100000757818_100000073702 [0,1,0,0,0,1|2,0,0]=4 532 B18R2.3918 Cc1cccc(c1)C(C)OC[C@H]2COC(=O)N2 34a_100000757818_100015307671 [0,1,0,0,0,1|1,0,1]=4 533 B18R2.3918 Cc1cccc(c1)C(C)OC[C@H]2COC(=O)N2 7a_100000757818_100015307671 [0,1,0,0,0,1|1,0,1]=4 534 B18R2.3918 Cc1cccc(c1)[C@@H](C)NCC2COC(=O)O2 34a_100000698126_100000073702 [0,1,0,0,0,1|2,0,0]=4 535 B18R2.3918 Cc1cccc(c1)[C@@H](C)NC[C@H]2COC(=O)N2 2230a_100000698126_100015307671 [0,1,0,0,0,1|1,0,1]=4 536 B18R2.3918 Cc1cccc(c1)[C@@H](C)NC[C@H]2COC(=O)N2 34a_100000698126_100015307671 [0,1,0,0,0,1|1,0,1]=4 537 B18R2.28251 CCC(COC1COC(=O)O1)c2ccccc2 34a_100000752371_100000032252 [0,1,0,0,0,1|2,0,0]=4 538 B18R2.28251 CCC(NC[C@H]1COC(=O)N1)c2ccccc2 2230a_100000737752_100015307671 [0,1,0,0,0,1|1,0,1]=4 539 B18R2.28251 CCC(OCC1COC(=O)O1)c2ccccc2 34a_100000698172_100000073702 [0,1,0,0,0,1|2,0,0]=4 540 B18R2.28251 CCC(OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000698172_100015307671 [0,1,0,0,0,1|1,0,1]=4 541 B18R2.28251 CCC(OC[C@H]1COC(=O)N1)c2ccccc2 7a_100000698172_100015307671 [0,1,0,0,0,1|1,0,1]=4 542 B18R2.28251 COC(COC1COC(=O)O1)c2ccccc2 34a_100011215540_100000032252 [0,1,0,0,0,1|2,0,0]=4 543 B18R2.28251 NCC(OCC1COC(=O)O1)c2ccccc2 34a_100000210709_100000073702 [0,1,0,0,0,1|2,0,0]=4 544 B18R2.28251 NCC(OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000210709_100015307671 [0,1,0,0,0,1|1,0,1]=4 545 B18R2.28251 O=C1N[C@H](CO1)CN[C@H](CO)c2ccccc2 2230a_100000751927_100015307671 [0,1,0,0,0,1|1,0,1]=4 546 B18R2.28251 O=C1N[C@H](CO1)CN[C@H](CO)c2ccccc2 34a_100000751927_100015307671 [0,1,0,0,0,1|1,0,1]=4 547 B18R2.28251 O=C1N[C@H](CO1)COC(CBr)c2ccccc2 7a_100000185958_100015307671 [0,1,0,0,0,1|1,0,1]=4 548 B18R2.28251 O=C1N[C@H](CO1)CO[C@H](CCl)c2ccccc2 34a_100011933945_100015307671 [0,1,0,0,0,1|1,0,1]=4 549 B18R2.28251 O=C1N[C@H](CO1)CO[C@H](CCl)c2ccccc2 7a_100011933945_100015307671 [0,1,0,0,0,1|1,0,1]=4 550 B18R2.28251 O=C1OCC(O1)CN[C@H](CO)c2ccccc2 34a_100000751927_100000073702 [0,1,0,0,0,1|2,0,0]=4 551 B18R2.28251 O=C1OCC(O1)CO[C@H](CCl)c2ccccc2 34a_100011933945_100000073702 [0,1,0,0,0,1|2,0,0]=4 552 B18R2.29399 CC(C)(CSC1COC(=O)O1)c2ccccc2 62a_100000703224_100000032252 [0,1,0,0,0,1|2,0,0]=4 553 B18R2.29399 CC(C)(NC[C@H]1COC(=O)N1)c2ccccc2 2230a_100011218174_100015307671 [0,1,0,0,0,1|1,0,1]=4 554 B18R2.29399 CC(C)(OC[C@H]1COC(=O)N1)c2ccccc2 7a_100000694644_100015307671 [0,1,0,0,0,1|1,0,1]=4 555 B18R2.29399 CC(C)(SCC1COC(=O)O1)c2ccccc2 62a_100000034625_100000073702 [0,1,0,0,0,1|2,0,0]=4 556 B18R2.29399 CC(C)(SCC1COC(=O)O1)c2ccccc2 62a_100000073702_100000034625 [0,1,0,0,0,1|2,0,0]=4 557 B18R2.29399 CC(C)(SC[C@H]1COC(=O)N1)c2ccccc2 62a_100000034625_100015307671 [0,1,0,0,0,1|1,0,1]=4 558 B18R2.29399 CC(C)(SC[C@H]1COC(=O)N1)c2ccccc2 62a_100015307671_100000034625 [0,1,0,0,0,1|1,0,1]=4 559 B18R2.29556 CC(NCC1COC(=O)O1)c2ccccc2Cl 34a_100000174978_100000073702 [0,1,0,0,0,1|2,0,0]=4 560 B18R2.29556 CC(NCC1COC(=O)O1)c2ccccc2F 34a_100000181408_100000073702 [0,1,0,0,0,1|2,0,0]=4 561 B18R2.29556 CC(NC[C@H]1COC(=O)N1)c2ccccc2Br 2230a_100000181357_100015307671 [0,1,0,0,0,1|1,0,1]=4 562 B18R2.29556 CC(NC[C@H]1COC(=O)N1)c2ccccc2Cl 2230a_100000174978_100015307671 [0,1,0,0,0,1|1,0,1]=4 563 B18R2.29556 CC(NC[C@H]1COC(=O)N1)c2ccccc2Cl 34a_100000174978_100015307671 [0,1,0,0,0,1|1,0,1]=4 564 B18R2.29556 CC(NC[C@H]1COC(=O)N1)c2ccccc2F 2230a_100000181408_100015307671 [0,1,0,0,0,1|1,0,1]=4 565 B18R2.29556 CC(NC[C@H]1COC(=O)N1)c2ccccc2F 34a_100000181408_100015307671 [0,1,0,0,0,1|1,0,1]=4 566 B18R2.29556 CC(OCC1COC(=O)O1)c2ccccc2Br 34a_100000702211_100000073702 [0,1,0,0,0,1|2,0,0]=4 567 B18R2.29556 CC(OCC1COC(=O)O1)c2ccccc2Cl 34a_100000740796_100000073702 [0,1,0,0,0,1|2,0,0]=4 568 B18R2.29556 CC(OCC1COC(=O)O1)c2ccccc2F 34a_100000697922_100000073702 [0,1,0,0,0,1|2,0,0]=4 569 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2Br 34a_100000702211_100015307671 [0,1,0,0,0,1|1,0,1]=4 570 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2Br 7a_100000702211_100015307671 [0,1,0,0,0,1|1,0,1]=4 571 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2Cl 34a_100000740796_100015307671 [0,1,0,0,0,1|1,0,1]=4 572 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2Cl 7a_100000740796_100015307671 [0,1,0,0,0,1|1,0,1]=4 573 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2F 34a_100000697922_100015307671 [0,1,0,0,0,1|1,0,1]=4 574 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2F 7a_100000697922_100015307671 [0,1,0,0,0,1|1,0,1]=4 575 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2N 7a_100011405641_100015307671 [0,1,0,0,0,1|1,0,1]=4 576 B18R2.29556 CC(SCC1COC(=O)O1)c2ccccc2Cl 62a_100000073702_100000181259 [0,1,0,0,0,1|2,0,0]=4 577 B18R2.29556 CC(SCC1COC(=O)O1)c2ccccc2Cl 62a_100000181259_100000073702 [0,1,0,0,0,1|2,0,0]=4 578 B18R2.29556 CC(SCC1COC(=O)O1)c2ccccc2F 62a_100000073702_200000741388 [0,1,0,0,0,1|2,0,0]=4 579 B18R2.29556 CC(SCC1COC(=O)O1)c2ccccc2F 62a_200000741388_100000073702 [0,1,0,0,0,1|2,0,0]=4 580 B18R2.29556 CC(SC[C@H]1COC(=O)N1)c2ccccc2Cl 62a_100000181259_100015307671 [0,1,0,0,0,1|1,0,1]=4 581 B18R2.29556 CC(SC[C@H]1COC(=O)N1)c2ccccc2Cl 62a_100015307671_100000181259 [0,1,0,0,0,1|1,0,1]=4 582 B18R2.29556 CC(SC[C@H]1COC(=O)N1)c2ccccc2F 62a_100015307671_200000741388 [0,1,0,0,0,1|1,0,1]=4 583 B18R2.29556 CC(SC[C@H]1COC(=O)N1)c2ccccc2F 62a_200000741388_100015307671 [0,1,0,0,0,1|1,0,1]=4 584 B18R2.29556 C[C@@H](NC[C@H]1COC(=O)N1)c2ccccc2O 2230a_100025703389_100015307671 [0,1,0,0,0,1|1,0,1]=4 585 B18R2.29556 Cc1ccccc1C(C)NCC2COC(=O)O2 34a_100000181355_100000073702 [0,1,0,0,0,1|2,0,0]=4 586 B18R2.29556 Cc1ccccc1C(C)NC[C@H]2COC(=O)N2 2230a_100000181355_100015307671 [0,1,0,0,0,1|1,0,1]=4 587 B18R2.29556 Cc1ccccc1C(C)NC[C@H]2COC(=O)N2 34a_100000181355_100015307671 [0,1,0,0,0,1|1,0,1]=4 588 B18R2.29556 Cc1ccccc1C(C)OCC2COC(=O)O2 34a_100000742021_100000073702 [0,1,0,0,0,1|2,0,0]=4 589 B18R2.29556 Cc1ccccc1C(C)OC[C@H]2COC(=O)N2 34a_100000742021_100015307671 [0,1,0,0,0,1|1,0,1]=4 590 B18R2.29556 Cc1ccccc1C(C)OC[C@H]2COC(=O)N2 7a_100000742021_100015307671 [0,1,0,0,0,1|1,0,1]=4 591 B18R2.251 CC(C(=O)C1CSC(=N1)N)c2ccc(cc2)Br 1458a_100000002200_100000755118 [0,2,0,0,0,0|0,1,1]=4 592 B18R2.251 CC(C(=O)C1CSC(=N1)N)c2ccc(cc2)Cl 1458a_100000002200_100000684792 [0,2,0,0,0,0|0,1,1]=4 593 B18R2.251 CC(C(=O)C1CSC(=N1)N)c2ccc(cc2)F 1458a_100000002200_100000743420 [0,2,0,0,0,0|0,1,1]=4 594 B18R2.251 Cc1ccc(cc1)C(C)C(=O)C2CSC(=N2)N 1458a_100000002200_100011261388 [0,2,0,0,0,0|0,1,1]=4 595 B18R2.29414 CC(C)(C(=O)C1CSC(=N1)N)c2ccccc2 1458a_100000002200_100000034625 [0,2,0,0,0,0|0,1,1]=4 596 B18R2.132553 CC(C(=O)C1CSC(=N1)N)c2ccccc2Cl 1458a_100000002200_100000181259 [0,2,0,0,0,0|0,1,1]=4 597 B18R2.132553 CC(C(=O)C1CSC(=N1)N)c2ccccc2F 1458a_100000002200_200000741388 [0,2,0,0,0,0|0,1,1]=4 598 B16R2.180471 NC(=O)OCCOC1Cc2c1cccc2 7a_100000766696_100009813401 [0,0,1,1,0,0|2,0,0]=4 599 B16R2.180471 NC(=O)OCCSC1Cc2c1cccc2 62a_100009813401_200011214921 [0,0,1,1,0,0|2,0,0]=4 600 B16R2.180471 NC(=O)OCCSC1Cc2c1cccc2 62a_200011214921_100009813401 [0,0,1,1,0,0|2,0,0]=4 601 B18R3.2894 O=C1N[C@H](CO1)CSC2Cc3c2cccc3 62a_100009813401_100015307671 [0,0,0,1,0,1|1,0,1]=4 602 B18R3.2894 O=C1N[C@H](CO1)CSC2Cc3c2cccc3 62a_100015307671_100009813401 [0,0,0,1,0,1|1,0,1]=4 603 B18R3.2894 O=C1OCC(O1)CSC2Cc3c2cccc3 62a_100000073702_100009813401 [0,0,0,1,0,1|2,0,0]=4 604 B18R3.2894 O=C1OCC(O1)CSC2Cc3c2cccc3 62a_100009813401_100000073702 [0,0,0,1,0,1|2,0,0]=4 605 B18R3.2894 O=C1OCC(O1)OCC2Cc3c2cccc3 34a_100012476685_100000032252 [0,0,0,1,0,1|2,0,0]=4 606 B14R1.163 COC(=O)CCN(C)c1ccccc1 2230a_100000210012_100000204255 [0,0,1,0,1,0|2,0,0]=4 607 B14R1.163 COC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000204255 [0,0,1,0,1,0|2,0,0]=4 608 B14R1.163 COC(=O)CCN(C)c1ccccc1 269982a_100011203847_200000210301 [0,0,1,0,1,0|2,0,0]=4 609 B14R1.163 COC(=O)CCN(C)c1ccccc1 34a_100000210012_100000742370 [0,0,1,0,1,0|2,0,0]=4 610 B14R1.163 COC(=O)CCN(C)c1ccccc1 34a_100011203847_200000210301 [0,0,1,0,1,0|2,0,0]=4 611 B14R1.163 COC(=O)CCN([13CH3])c1ccccc1 269982a_100011203847_200025704644 [0,0,1,0,1,0|2,0,0]=4 612 B14R1.163 COC(=O)CCN([13CH3])c1ccccc1 34a_100011203847_200025704644 [0,0,1,0,1,0|2,0,0]=4 613 B14R1.163 COC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000747449 [0,0,1,0,1,0|2,0,0]=4 614 B14R1.163 COC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000747449 [0,0,1,0,1,0|2,0,0]=4 615 B14R1.163 COC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000747449 [0,0,1,0,1,0|2,0,0]=4 616 B14R1.163 COC(=O)CSC(C)c1ccccc1 62a_100000230085_100000747449 [0,0,1,0,1,0|2,0,0]=4 617 B14R1.163 COC(=O)CSC(C)c1ccccc1 62a_100000747449_100000230085 [0,0,1,0,1,0|2,0,0]=4 618 B14R1.415 CC(N[C@@H](C)C(=O)O)c1ccccc1 269956a_100000743915_100000211855 [0,0,1,0,1,0|2,0,0]=4 619 B14R1.415 CC(N[C@H](C)C(=O)N)c1ccccc1 2230a_100000119354_100000230085 [0,0,1,0,1,0|1,0,1]=4 620 B14R1.415 CC(N[C@H](C)C(=O)N)c1ccccc1 34a_100000119354_100000211855 [0,0,1,0,1,0|1,0,1]=4 621 B14R1.415 CC(N[C@H](C)c1ccccc1)C(=O)N 2230a_100000751104_100000702099 [0,0,1,0,1,0|1,0,1]=4 622 B14R1.415 CC(O[C@H](C)C(=O)N)c1ccccc1 34a_100000731257_100000211855 [0,0,1,0,1,0|1,0,1]=4 623 B14R1.415 CC(O[C@H](C)C(=O)N)c1ccccc1 7a_100000731257_100000230085 [0,0,1,0,1,0|1,0,1]=4 624 B14R1.415 CC(O[C@H](C)c1ccccc1)C(=O)N 34a_100000761318_100000702099 [0,0,1,0,1,0|1,0,1]=4 625 B14R1.415 CC(O[C@H](C)c1ccccc1)C(=O)N 7a_100000761318_100000702099 [0,0,1,0,1,0|1,0,1]=4 626 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000230085_100000702099 [0,0,1,0,1,0|1,0,1]=4 627 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000702099_100000230085 [0,0,1,0,1,0|1,0,1]=4 628 B14R2.794 CC(NC1COC1)c2ccccc2 2230a_100016991112_100000230085 [1,0,0,0,1,0|1,0,1]=4 629 B14R2.794 CC(NC1COC1)c2ccccc2 269862a_100016991112_100000185851 [1,0,0,0,1,0|1,0,1]=4 630 B14R2.794 CC(SC1COC1)c2ccccc2 62a_100000230085_100009818527 [1,0,0,0,1,0|1,0,1]=4 631 B14R2.794 CN(CC1COC1)c2ccccc2 2230a_100000210012_100010264016 [1,0,0,0,1,0|1,0,1]=4 632 B14R2.794 CN(CC1COC1)c2ccccc2 269982a_100000210012_100010264016 [1,0,0,0,1,0|1,0,1]=4 633 B14R2.794 CN(CC1COC1)c2ccccc2 34a_100000210012_100010264016 [1,0,0,0,1,0|1,0,1]=4 634 B14R2.794 C[C@@H](OC1COC1)c2ccccc2 34a_100000761318_100009818527 [1,0,0,0,1,0|1,0,1]=4 635 B14R2.794 C[C@@H](OC1COC1)c2ccccc2 7a_100000761318_100009818527 [1,0,0,0,1,0|1,0,1]=4 636 B16R1.609 CC(=O)OCCCO[C@H](C)c1ccccc1 34a_100000761318_100000042594 [0,0,1,0,0,1|2,0,0]=4 637 B16R1.609 CC(=O)OCCCO[C@H](C)c1ccccc1 7a_100000761318_100000042594 [0,0,1,0,0,1|2,0,0]=4 638 B16R1.609 CC(=O)OCCCSC(C)c1ccccc1 62a_100000042594_100000230085 [0,0,1,0,0,1|2,0,0]=4 639 B16R1.609 CC(=O)OCCCSC(C)c1ccccc1 62a_100000230085_100000042594 [0,0,1,0,0,1|2,0,0]=4 640 B16R1.609 CC(=O)OCCNCC(C)c1ccccc1 34a_100000701038_100009814007 [0,0,1,0,0,1|2,0,0]=4 641 B16R1.609 CC(=O)OCCOCC(C)c1ccccc1 34a_100011215166_100009814007 [0,0,1,0,0,1|2,0,0]=4 642 B16R1.609 CC(=O)OCCOCC(C)c1ccccc1 7a_100011215166_100009814007 [0,0,1,0,0,1|2,0,0]=4 643 B16R1.609 CC(=O)OCCSCC(C)c1ccccc1 62a_100000756946_100009814007 [0,0,1,0,0,1|2,0,0]=4 644 B16R1.609 CC(=O)OCCSCC(C)c1ccccc1 62a_100009814007_100000756946 [0,0,1,0,0,1|2,0,0]=4 645 B16R1.609 CC(=S)OCCCN[C@H](C)c1ccccc1 2230a_100000751104_200135323944 [0,0,1,0,0,1|2,0,0]=4 646 B16R1.609 CC(=S)OCCCO[C@H](C)c1ccccc1 34a_100000761318_200135323944 [0,0,1,0,0,1|2,0,0]=4 647 B16R1.609 CC(=S)OCCCO[C@H](C)c1ccccc1 7a_100000761318_200135323944 [0,0,1,0,0,1|2,0,0]=4 648 B16R1.609 CC(=S)OCCCSC(C)c1ccccc1 62a_100000230085_200135323944 [0,0,1,0,0,1|2,0,0]=4 649 B16R1.609 CC(=S)OCCCSC(C)c1ccccc1 62a_200135323944_100000230085 [0,0,1,0,0,1|2,0,0]=4 650 B16R1.609 CC(CNCCCC(=O)N)c1ccccc1 34a_100000701038_100102525003 [0,0,1,0,0,1|2,0,0]=4 651 B16R1.609 CC(CNCCCC(=O)N)c1ccccc1 34a_100000739312_100000756946 [0,0,1,0,0,1|2,0,0]=4 652 B16R1.609 CC(CNCCNC(=O)N)c1ccccc1 2230a_100000701038_200000034859 [0,0,1,0,0,1|2,0,0]=4 653 B16R1.609 CC(CNCCNC(=O)N)c1ccccc1 34a_100020590234_100000756946 [0,0,1,0,0,1|2,0,0]=4 654 B16R1.609 CC(CNCCOC(=O)N)c1ccccc1 34a_100000701038_200011214921 [0,0,1,0,0,1|1,0,0]=3 655 B16R1.609 CC(COCCCC(=O)N)c1ccccc1 34a_100011215166_100102525003 [0,0,1,0,0,1|2,0,0]=4 656 B16R1.609 CC(COCCCC(=O)N)c1ccccc1 7a_100011215166_100102525003 [0,0,1,0,0,1|2,0,0]=4 657 B16R1.609 CC(COCCNC(=O)N)c1ccccc1 34a_100000181757_100000756946 [0,0,1,0,0,1|2,0,0]=4 658 B16R1.609 CC(COCCNC(=O)N)c1ccccc1 7a_100011215166_200000034859 [0,0,1,0,0,1|2,0,0]=4 659 B16R1.609 CC(COCCOC(=O)N)c1ccccc1 34a_100011215166_200011214921 [0,0,1,0,0,1|1,0,0]=3 660 B16R1.609 CC(COCCOC(=O)N)c1ccccc1 7a_100000766696_100000756946 [0,0,1,0,0,1|1,0,0]=3 661 B16R1.609 CC(COCCOC(=O)N)c1ccccc1 7a_100011215166_200011214921 [0,0,1,0,0,1|1,0,0]=3 662 B16R1.609 CC(CSCCCC(=O)N)c1ccccc1 62a_100000756946_100102525003 [0,0,1,0,0,1|2,0,0]=4 663 B16R1.609 CC(CSCCCC(=O)N)c1ccccc1 62a_100102525003_100000756946 [0,0,1,0,0,1|2,0,0]=4 664 B16R1.609 CC(CSCCNC(=O)N)c1ccccc1 62a_100000756946_200000034859 [0,0,1,0,0,1|2,0,0]=4 665 B16R1.609 CC(CSCCNC(=O)N)c1ccccc1 62a_200000034859_100000756946 [0,0,1,0,0,1|2,0,0]=4 666 B16R1.609 CC(CSCCOC(=O)N)c1ccccc1 62a_100000756946_200011214921 [0,0,1,0,0,1|1,0,0]=3 667 B16R1.609 CC(CSCCOC(=O)N)c1ccccc1 62a_200011214921_100000756946 [0,0,1,0,0,1|1,0,0]=3 668 B16R1.609 CC(NCCCCC(=O)N)c1ccccc1 269862a_100000696515_100000185851 [0,0,1,0,0,1|2,0,0]=4 669 B16R1.609 CC(NCCCCC(=O)N)c1ccccc1 34a_100000696515_100000211855 [0,0,1,0,0,1|2,0,0]=4 670 B16R1.609 CC(OCCCCC(=O)N)c1ccccc1 34a_100012022536_100000211855 [0,0,1,0,0,1|2,0,0]=4 671 B16R1.609 CC(OCCCCC(=O)N)c1ccccc1 7a_100012022536_100000230085 [0,0,1,0,0,1|2,0,0]=4 672 B16R1.609 CC(SCCOCC(=O)N)c1ccccc1 62a_100000076697_100000230085 [0,0,1,0,0,1|2,0,0]=4 673 B16R1.609 CC(SCCOCC(=O)N)c1ccccc1 62a_100000230085_100000076697 [0,0,1,0,0,1|2,0,0]=4 674 B16R1.609 C[C@@H](NCCOCC(=O)N)c1ccccc1 2230a_100000751104_100000076697 [0,0,1,0,0,1|2,0,0]=4 675 B16R1.609 C[C@@H](OCCOCC(=O)N)c1ccccc1 34a_100000761318_100000076697 [0,0,1,0,0,1|2,0,0]=4 676 B16R1.609 C[C@@H](OCCOCC(=O)N)c1ccccc1 7a_100000761318_100000076697 [0,0,1,0,0,1|2,0,0]=4 677 B16R1.609 NC(=O)COCCCC(N)c1ccccc1 34a_100000759318_100000187820 [0,0,1,0,0,1|2,0,0]=4 678 B16R1.609 NC(=O)OCCOCC(O)c1ccccc1 7a_100000766696_100000185958 [0,0,1,0,0,1|2,0,0]=4 679 B16R1.609 NC(=O)OCCOC[C@@H](N)c1ccccc1 34a_100000751927_200011214921 [0,0,1,0,0,1|2,0,0]=4 680 B16R1.609 NC(=O)OCCOC[C@@H](O)c1ccccc1 7a_100000766696_100011933945 [0,0,1,0,0,1|2,0,0]=4 681 B16R1.609 NC(=O)OCCSCC(O)c1ccccc1 62a_100000185958_200011214921 [0,0,1,0,0,1|2,0,0]=4 682 B16R1.609 NC(=O)OCCSCC(O)c1ccccc1 62a_200011214921_100000185958 [0,0,1,0,0,1|2,0,0]=4 683 B16R1.609 NC(=O)OCCSC[C@@H](O)c1ccccc1 62a_100011933945_200011214921 [0,0,1,0,0,1|2,0,0]=4 684 B16R1.609 NC(=O)OCCSC[C@@H](O)c1ccccc1 62a_200011214921_100011933945 [0,0,1,0,0,1|2,0,0]=4 685 B16R1.610 CC(Cc1ccccc1)OCCOC(=O)N 34a_100000748627_200011214921 [0,0,1,0,0,1|2,0,0]=4 686 B16R1.610 CC(Cc1ccccc1)OCCOC(=O)N 7a_100000748627_200011214921 [0,0,1,0,0,1|2,0,0]=4 687 B16R1.610 CC(Cc1ccccc1)OCCOC(=O)N 7a_100000766696_200011218536 [0,0,1,0,0,1|2,0,0]=4 688 B16R1.610 CC(Cc1ccccc1)SCCOC(=O)N 62a_200011214921_200011218536 [0,0,1,0,0,1|2,0,0]=4 689 B16R1.610 CC(Cc1ccccc1)SCCOC(=O)N 62a_200011218536_200011214921 [0,0,1,0,0,1|2,0,0]=4 690 B16R1.1582 C=CC[C@H](CO)NCC(C)c1ccccc1 2230a_100020615467_100000756946 [0,0,1,0,0,1|2,0,0]=4 691 B16R1.1582 C=CC[C@H](CO)NCC(C)c1ccccc1 270004a_100020615467_100000212034 [0,0,1,0,0,1|2,0,0]=4 692 B16R2.2832 O=C1N[C@H](CO1)CNCc2ccccc2 2230a_100015324214_100015307671 [1,0,0,0,0,1|1,0,1]=4 693 B16R2.2832 O=C1N[C@H](CO1)CNCc2ccccc2 34a_100015324214_100015307671 [1,0,0,0,0,1|1,0,1]=4 694 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 34a_100000210790_100015307671 [1,0,0,0,0,1|1,0,1]=4 695 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 7a_100000210790_100015307671 [1,0,0,0,0,1|1,0,1]=4 696 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccc2 62a_100000211182_100015307671 [1,0,0,0,0,1|1,0,1]=4 697 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccc2 62a_100015307671_100015291786 [1,0,0,0,0,1|1,0,1]=4 698 B16R2.2832 O=C1OCC(O1)CNCc2ccccc2 34a_100015324214_100000073702 [1,0,0,0,0,1|2,0,0]=4 699 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 34a_100000210790_100000073702 [1,0,0,0,0,1|2,0,0]=4 700 B16R2.2832 O=C1OCC(O1)CSCc2ccccc2 62a_100000073702_100015291786 [1,0,0,0,0,1|2,0,0]=4 701 B16R2.2832 O=C1OCC(O1)CSCc2ccccc2 62a_100000211182_100000073702 [1,0,0,0,0,1|2,0,0]=4 702 B16R2.2832 O=C1OCC(O1)NCCc2ccccc2 34a_100000106460_100000032252 [1,0,0,0,0,1|2,0,0]=4 703 B16R2.2832 O=C1OCC(O1)OCCc2ccccc2 34a_100000210268_100000032252 [1,0,0,0,0,1|2,0,0]=4 704 B16R2.2832 O=C1OCC(O1)SCCc2ccccc2 62a_100000765856_100000032252 [1,0,0,0,0,1|2,0,0]=4 705 B16R2.5767 CC(CNC1CC=CC1)c2ccccc2 2230a_100015188752_100000756946 [1,0,0,0,0,1|2,0,0]=4 706 B16R2.5767 CC(CNC1CC=CC1)c2ccccc2 270004a_100015188752_100000212034 [1,0,0,0,0,1|2,0,0]=4 707 B16R2.5767 CC(CNC1CCOC1)c2ccccc2 2230a_100000701038_100000731011 [1,0,0,0,0,1|1,0,1]=4 708 B16R2.5767 CC(CNC1CCOC1)c2ccccc2 270004a_100000701038_100000752484 [1,0,0,0,0,1|1,0,1]=4 709 B16R2.5767 CC(CNC1CCOC1)c2ccccc2 34a_100000701038_100000690089 [1,0,0,0,0,1|1,0,1]=4 710 B16R2.5767 CC(CN[C@@H]1CCOC1)c2ccccc2 2230a_200015188469_100000756946 [1,0,0,0,0,1|1,0,1]=4 711 B16R2.5767 CC(CN[C@@H]1CCOC1)c2ccccc2 270004a_200015188469_100000212034 [1,0,0,0,0,1|1,0,1]=4 712 B16R2.5767 CC(CN[C@H]1CCOC1)c2ccccc2 2230a_100015188467_100000756946 [1,0,0,0,0,1|1,0,1]=4 713 B16R2.5767 CC(CN[C@H]1CCOC1)c2ccccc2 270004a_100015188467_100000212034 [1,0,0,0,0,1|1,0,1]=4 714 B16R2.5767 CC(CN[C@H]1CCOC1)c2ccccc2 34a_100015188467_100000756946 [1,0,0,0,0,1|1,0,1]=4 715 B16R2.5767 CC(COC1CCOC1)c2ccccc2 34a_100011215166_100000690089 [1,0,0,0,0,1|1,0,1]=4 716 B16R2.5767 CC(COC1CCOC1)c2ccccc2 7a_100011215166_100000731011 [1,0,0,0,0,1|1,0,1]=4 717 B16R2.5767 CC(CO[C@H]1CCOC1)c2ccccc2 34a_100000717292_100000756946 [1,0,0,0,0,1|1,0,1]=4 718 B16R2.5767 CC(CSC1CCOC1)c2ccccc2 62a_100000756946_100000690089 [1,0,0,0,0,1|1,0,1]=4 719 B16R2.5767 CC(NCC1CCOC1)c2ccccc2 2230a_100000737293_100000230085 [1,0,0,0,0,1|1,0,1]=4 720 B16R2.5767 CC(NCC1CCOC1)c2ccccc2 269862a_100000737293_100000185851 [1,0,0,0,0,1|1,0,1]=4 721 B16R2.5767 CC(NCC1CCOC1)c2ccccc2 34a_100000737293_100000211855 [1,0,0,0,0,1|1,0,1]=4 722 B16R2.5767 CC(NCc1cocn1)c2ccccc2 269862a_100015188801_100000185851 [1,0,0,0,0,1|0,0,2]=4 723 B16R2.5767 CC(OCC1CC=CC1)c2ccccc2 34a_100000688395_100000211855 [1,0,0,0,0,1|2,0,0]=4 724 B16R2.5767 CC(OCC1CCOC1)c2ccccc2 34a_100000740260_100000211855 [1,0,0,0,0,1|1,0,1]=4 725 B16R2.5767 CC(OCC1COCO1)c2ccccc2 34a_100011216627_100000211855 [1,0,0,0,0,1|1,0,1]=4 726 B16R2.5767 CC(SCC1CCOC1)c2ccccc2 62a_100000230085_100000702531 [1,0,0,0,0,1|1,0,1]=4 727 B16R2.5767 CC(SCC1CCOC1)c2ccccc2 62a_100000702531_100000230085 [1,0,0,0,0,1|1,0,1]=4 728 B16R2.5767 CC(SCc1ncon1)c2ccccc2 62a_100000230085_100000233494 [1,0,0,0,0,1|1,0,1]=4 729 B16R2.5767 CC(SCc1ncon1)c2ccccc2 62a_100000233494_100000230085 [1,0,0,0,0,1|1,0,1]=4 730 B16R2.5767 C[C@@H](NCC1CCOC1)c2ccccc2 2230a_100000751104_100000702531 [1,0,0,0,0,1|1,0,1]=4 731 B16R2.5767 C[C@@H](NCc1cocn1)c2ccccc2 270004a_100000751104_100000050382 [1,0,0,0,0,1|0,0,2]=4 732 B16R2.5767 C[C@@H](OCC1CCOC1)c2ccccc2 34a_100000761318_100011261433 [1,0,0,0,0,1|1,0,1]=4 733 B16R2.5767 C[C@@H](OCC1CCOC1)c2ccccc2 7a_100000761318_100000702531 [1,0,0,0,0,1|1,0,1]=4 734 B16R2.5767 C[C@@H](OCc1ncon1)c2ccccc2 34a_100000761318_100000233494 [1,0,0,0,0,1|1,0,1]=4 735 B18R2.3700 CC(CNC1COC(=O)O1)Oc2ccccc2 34a_100000755676_100000032252 [0,0,0,0,0,2|2,0,0]=4 736 B18R2.3700 CC(COC1COC(=O)O1)Cc2ccccc2 34a_100012125295_100000032252 [0,0,0,0,0,2|2,0,0]=4 737 B18R2.3700 CC(COC1COC(=O)O1)Oc2ccccc2 34a_200000036796_100000032252 [0,0,0,0,0,2|2,0,0]=4 738 B18R2.3700 CC(Cc1ccccc1)OCC2COC(=O)O2 34a_100000748627_100000073702 [0,0,0,0,0,2|2,0,0]=4 739 B18R2.3700 CC(Cc1ccccc1)OC[C@H]2COC(=O)N2 34a_100000748627_100015307671 [0,0,0,0,0,2|1,0,1]=4 740 B18R2.3700 CC(Cc1ccccc1)OC[C@H]2COC(=O)N2 7a_100000748627_100015307671 [0,0,0,0,0,2|1,0,1]=4 741 B18R2.3700 CC(Cc1ccccc1)SCC2COC(=O)O2 62a_100000073702_200011218536 [0,0,0,0,0,2|2,0,0]=4 742 B18R2.3700 CC(Cc1ccccc1)SCC2COC(=O)O2 62a_200011218536_100000073702 [0,0,0,0,0,2|2,0,0]=4 743 B18R2.3700 CC(Cc1ccccc1)SC[C@H]2COC(=O)N2 62a_100015307671_200011218536 [0,0,0,0,0,2|1,0,1]=4 744 B18R2.3700 CC(Cc1ccccc1)SC[C@H]2COC(=O)N2 62a_200011218536_100015307671 [0,0,0,0,0,2|1,0,1]=4 745 B18R2.3709 CC(CNCC1COC(=O)O1)c2ccccc2 34a_100000701038_100000073702 [0,0,0,0,0,2|2,0,0]=4 746 B18R2.3709 CC(CNC[C@H]1COC(=O)N1)c2ccccc2 2230a_100000701038_100015307671 [0,0,0,0,0,2|1,0,1]=4 747 B18R2.3709 CC(CNC[C@H]1COC(=O)N1)c2ccccc2 34a_100000701038_100015307671 [0,0,0,0,0,2|1,0,1]=4 748 B18R2.3709 CC(COCC1COC(=O)O1)c2ccccc2 34a_100011215166_100000073702 [0,0,0,0,0,2|2,0,0]=4 749 B18R2.3709 CC(COC[C@H]1COC(=O)N1)c2ccccc2 34a_100011215166_100015307671 [0,0,0,0,0,2|1,0,1]=4 750 B18R2.3709 CC(COC[C@H]1COC(=O)N1)c2ccccc2 7a_100011215166_100015307671 [0,0,0,0,0,2|1,0,1]=4 751 B18R2.3709 CC(CSCC1COC(=O)O1)c2ccccc2 62a_100000073702_100000756946 [0,0,0,0,0,2|2,0,0]=4 752 B18R2.3709 CC(CSCC1COC(=O)O1)c2ccccc2 62a_100000756946_100000073702 [0,0,0,0,0,2|2,0,0]=4 753 B18R2.3709 CC(CSC[C@H]1COC(=O)N1)c2ccccc2 62a_100000756946_100015307671 [0,0,0,0,0,2|1,0,1]=4 754 B18R2.3709 CC(CSC[C@H]1COC(=O)N1)c2ccccc2 62a_100015307671_100000756946 [0,0,0,0,0,2|1,0,1]=4 755 B18R2.6467 CC(OCC1COCC(=O)N1)c2ccccc2 34a_200000101122_100000211855 [0,0,0,0,0,2|1,0,1]=4