0 B15R1.30 CCCCCSC(C)c1ccc(cc1)Br 62a_100000210326_100000755118 [0,0,0,0,0,0|4,0,0]=4 1 B15R1.30 CCCCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210326 [0,0,0,0,0,0|4,0,0]=4 2 B15R1.30 CCCCCSC(C)c1ccc(cc1)Cl 62a_100000210326_100000684792 [0,0,0,0,0,0|4,0,0]=4 3 B15R1.30 CCCCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210326 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.14 CCCCCCSc1ccc(cc1)Br 62a_100000210314_100000752885 [1,0,0,0,0,0|3,0,0]=4 5 B14R1.14 CCCCCCSc1ccc(cc1)Br 62a_100000752885_100000210757 [1,0,0,0,0,0|3,0,0]=4 6 B14R1.14 CCCCCCSc1ccc(cc1)Cl 62a_100000210314_100000755918 [1,0,0,0,0,0|3,0,0]=4 7 B14R1.14 CCCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210757 [1,0,0,0,0,0|3,0,0]=4 8 B14R1.19 CCCCSC(C)c1ccc(cc1)Br 62a_100000210211_100000755118 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.19 CCCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210210 [1,0,0,0,0,0|3,0,0]=4 10 B16R1.58 CNNC(=O)NCC(O)c1ccc(cc1)O 512a_100016993582_100000067596 [0,1,0,0,0,0|2,0,1]=4 11 B16R1.61 O=C(NNCCO)C(O)c1ccc(cc1)O 22a_100000210001_100011215213 [0,1,0,0,0,0|2,0,1]=4 12 B16R1.91 CCCCCCOC(C)c1ccc(cc1)Br 34a_100000210259_100000755118 [0,1,0,0,0,0|3,0,0]=4 13 B16R1.91 CCCCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210314 [0,1,0,0,0,0|3,0,0]=4 14 B16R1.91 CCCCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210314 [0,1,0,0,0,0|3,0,0]=4 15 B16R1.91 CCCCCCOC(C)c1ccc(cc1)Cl 7a_100000210259_100000684792 [0,1,0,0,0,0|3,0,0]=4 16 B16R1.91 CCCCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210314 [0,1,0,0,0,0|3,0,0]=4 17 B16R1.91 CCCCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210314 [0,1,0,0,0,0|3,0,0]=4 18 B16R1.91 CCCCCCSC(C)c1ccc(cc1)Br 62a_100000210314_100000755118 [0,1,0,0,0,0|3,0,0]=4 19 B16R1.91 CCCCCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210757 [0,1,0,0,0,0|3,0,0]=4 20 B16R1.91 CCCCCCSC(C)c1ccc(cc1)C 62a_100000210314_100011261388 [0,1,0,0,0,0|3,0,0]=4 21 B16R1.91 CCCCCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210757 [0,1,0,0,0,0|3,0,0]=4 22 B16R1.91 CCCCCCSC(C)c1ccc(cc1)Cl 62a_100000210314_100000684792 [0,1,0,0,0,0|3,0,0]=4 23 B16R1.91 CCCCCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210757 [0,1,0,0,0,0|3,0,0]=4 24 B16R1.91 CCCCCCSC(C)c1ccc(cc1)F 62a_100000210314_100000743420 [0,1,0,0,0,0|3,0,0]=4 25 B16R1.91 CCCCCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210757 [0,1,0,0,0,0|3,0,0]=4 26 B16R1.91 CCCCOCSC(C)c1ccc(cc1)Br 62a_100000755118_100011995733 [0,1,0,0,0,0|3,0,0]=4 27 B16R1.91 CCCCOCSC(C)c1ccc(cc1)Br 62a_100011995733_100000755118 [0,1,0,0,0,0|3,0,0]=4 28 B16R1.647 CCCCSCC(F)(F)c1ccc(cc1)Br 62a_100000210211_100010185546 [0,1,0,0,0,0|3,0,0]=4 29 B16R1.647 CCCCSCC(F)(F)c1ccc(cc1)Br 62a_100010185546_100000210210 [0,1,0,0,0,0|3,0,0]=4 30 B16R1.1142 OCC(O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100011219619 [0,1,0,0,0,0|1,0,0]=2 31 B16R1.1142 OC[C@H](O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100009815848 [0,1,0,0,0,0|1,0,0]=2 32 B16R1.4616 OCCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000230001 [0,1,0,0,0,0|1,0,0]=2 33 B16R1.54 CCCCCCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100011215978 [0,0,0,0,0,1|3,0,0]=4 34 B16R1.54 CCCCCCC(C)Nc1ccc(cc1)Br 34a_100000210018_100011215978 [0,0,0,0,0,1|3,0,0]=4 35 B16R1.54 CCCCCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100011215978 [0,0,0,0,0,1|3,0,0]=4 36 B16R1.54 CCCCCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100011215978 [0,0,0,0,0,1|3,0,0]=4 37 B16R1.54 CCCCCCC(C)Nc1ccc(cc1)I 34a_100000185761_100011215978 [0,0,0,0,0,1|3,0,0]=4 38 B16R1.54 CCCCCCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215978 [0,0,0,0,0,1|3,0,0]=4 39 B16R1.54 CCCCCCC(C)Oc1ccc(cc1)Br 7a_100000185759_100011215978 [0,0,0,0,0,1|3,0,0]=4 40 B16R1.54 CCCCCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215978 [0,0,0,0,0,1|3,0,0]=4 41 B16R1.54 CCCCCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100011215978 [0,0,0,0,0,1|3,0,0]=4 42 B16R1.54 CCCCCCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215978 [0,0,0,0,0,1|3,0,0]=4 43 B16R1.54 CCCCCCC(C)Oc1ccc(cc1)I 7a_100000212066_100011215978 [0,0,0,0,0,1|3,0,0]=4 44 B16R1.54 CCCCCCC(C)Sc1ccc(cc1)Br 62a_100000752885_100011215978 [0,0,0,0,0,1|3,0,0]=4 45 B16R1.54 CCCCCCC(C)Sc1ccc(cc1)Br 62a_100011215978_100000752885 [0,0,0,0,0,1|3,0,0]=4 46 B16R1.54 CCCCCCC(C)Sc1ccc(cc1)C 62a_100000186775_100011215978 [0,0,0,0,0,1|3,0,0]=4 47 B16R1.54 CCCCCCC(C)Sc1ccc(cc1)C 62a_100011215978_100000186775 [0,0,0,0,0,1|3,0,0]=4 48 B16R1.54 CCCCCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100011215978 [0,0,0,0,0,1|3,0,0]=4 49 B16R1.54 CCCCCCC(C)Sc1ccc(cc1)Cl 62a_100011215978_100000755918 [0,0,0,0,0,1|3,0,0]=4 50 B16R1.54 CCCCCCC(C)Sc1ccc(cc1)F 62a_100000211213_100011215978 [0,0,0,0,0,1|3,0,0]=4 51 B16R1.54 CCCCCCC(C)Sc1ccc(cc1)F 62a_100011215978_100000211213 [0,0,0,0,0,1|3,0,0]=4 52 B15R1.12 CCCCCCCSc1ccc(cc1)Br 62a_100000210614_100000752885 [1,1,0,0,0,0|2,0,0]=4 53 B15R1.12 CCCCCCCSc1ccc(cc1)Br 62a_100000752885_100000210316 [1,1,0,0,0,0|2,0,0]=4 54 B15R1.12 CCCCCCCSc1ccc(cc1)C 62a_100000186775_100000210316 [1,1,0,0,0,0|2,0,0]=4 55 B15R1.12 CCCCCCCSc1ccc(cc1)C 62a_100000210614_100000186775 [1,1,0,0,0,0|2,0,0]=4 56 B15R1.12 CCCCCCCSc1ccc(cc1)Cl 62a_100000210614_100000755918 [1,1,0,0,0,0|2,0,0]=4 57 B15R1.12 CCCCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210316 [1,1,0,0,0,0|2,0,0]=4 58 B15R1.12 CCCCCCSCc1ccc(cc1)Br 62a_100000189115_100000210757 [1,1,0,0,0,0|2,0,0]=4 59 B15R1.12 CCCCCCSCc1ccc(cc1)Br 62a_100000210314_100000189115 [1,1,0,0,0,0|2,0,0]=4 60 B15R1.12 CCCCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210757 [1,1,0,0,0,0|2,0,0]=4 61 B15R1.12 CCCCCCSCc1ccc(cc1)Cl 62a_100000210314_100000187161 [1,1,0,0,0,0|2,0,0]=4 62 B15R1.12 CCCCCCSCc1ccc(cc1)I 62a_100000189116_100000210757 [1,1,0,0,0,0|2,0,0]=4 63 B15R1.12 CCCCCCSCc1ccc(cc1)I 62a_100000210314_100000189116 [1,1,0,0,0,0|2,0,0]=4 64 B15R1.1176 CCCCSCCc1ccc(cc1Br)Cl 62a_100000210211_200012945151 [1,1,0,0,0,0|2,0,0]=4 65 B15R1.1176 CCCCSCCc1ccc(cc1Br)Cl 62a_200012945151_100000210210 [1,1,0,0,0,0|2,0,0]=4 66 B15R1.1176 CCCCSCCc1ccc(cc1Cl)Cl 62a_100000210211_200012161198 [1,1,0,0,0,0|2,0,0]=4 67 B15R1.1176 CCCCSCCc1ccc(cc1Cl)Cl 62a_200012161198_100000210210 [1,1,0,0,0,0|2,0,0]=4 68 B15R1.12032 CCCCSCCc1ccc(c(c1)Cl)Cl 62a_100000210211_100011713676 [1,1,0,0,0,0|2,0,0]=4 69 B15R1.12032 CCCCSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_100000210210 [1,1,0,0,0,0|2,0,0]=4 70 B15R1.1404 OCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000211926 [1,1,0,0,0,0|1,0,0]=3 71 B15R1.138 CCCCCCSC(C)c1ccccc1 62a_100000210314_100000230085 [1,1,0,0,0,0|2,0,0]=4 72 B15R1.138 CCCCCCSC(C)c1ccccc1 62a_100000230085_100000210757 [1,1,0,0,0,0|2,0,0]=4 73 B17R1.744 CCCCCCCC(C)Sc1ccc(cc1)O 62a_200011218727_100000185759 [0,1,0,0,0,1|2,0,0]=4 74 B17R1.6501 CCCCCCC(C)Sc1ccc(cc1)OC 62a_100011215978_100000171711 [0,1,0,0,0,1|2,0,0]=4 75 B17R1.6513 CCCCCCC(C)Sc1ccc(c(c1)Br)O 62a_100011215978_100012361655 [0,1,0,0,0,1|2,0,0]=4 76 B17R1.6513 CCCCCCC(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100011215978 [0,1,0,0,0,1|2,0,0]=4 77 B17R1.6513 CCCCCCC(C)Sc1ccc(c(c1)C)O 62a_100011215978_100000186361 [0,1,0,0,0,1|2,0,0]=4 78 B17R1.6513 CCCCCCC(C)Sc1ccc(c(c1)Cl)O 62a_100011215978_100012360047 [0,1,0,0,0,1|2,0,0]=4 79 B17R1.6513 CCCCCCC(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100011215978 [0,1,0,0,0,1|2,0,0]=4 80 B17R1.59815 CCCCCCC(C)Sc1ccc(cc1Br)O 62a_100000701344_100011215978 [0,1,0,0,0,1|2,0,0]=4 81 B17R1.59815 CCCCCCC(C)Sc1ccc(cc1Br)O 62a_100011215978_100000701344 [0,1,0,0,0,1|2,0,0]=4 82 B17R1.59815 CCCCCCC(C)Sc1ccc(cc1C)O 62a_100011215978_100000690111 [0,1,0,0,0,1|2,0,0]=4 83 B17R1.59815 CCCCCCC(C)Sc1ccc(cc1Cl)O 62a_100000047559_100011215978 [0,1,0,0,0,1|2,0,0]=4 84 B17R1.59815 CCCCCCC(C)Sc1ccc(cc1Cl)O 62a_100011215978_100000047559 [0,1,0,0,0,1|2,0,0]=4 85 B17R1.748 CCNNC(=O)NCC(O)c1ccc(cc1)O 512a_100000756455_100000067596 [0,2,0,0,0,0|1,0,1]=4 86 B17R1.748 O=C(NCCO)NCC(O)c1ccc(cc1)O 273464a_100000210304_100000067596 [0,2,0,0,0,0|1,0,1]=4 87 B17R1.1196 O=C(NCC(O)c1ccc(cc1)O)C(O)CO 240690a_100000067596_100011215603 [0,2,0,0,0,0|1,0,1]=4 88 B17R1.6636 CC(CCO)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009893172 [0,2,0,0,0,0|1,0,0]=3 89 B17R1.6636 CCNC(=O)NCC(O)c1ccc(c(c1)O)O 273464a_100000106456_100015525214 [0,2,0,0,0,0|1,0,1]=4 90 B17R1.6636 CCNC(=O)NCC(O)c1ccc(c(c1)O)O 273464a_100015525214_100000106456 [0,2,0,0,0,0|1,0,1]=4 91 B17R1.6636 CCNC(=O)NCC(O)c1ccc(c(c1)O)O 512a_100015525214_100000106456 [0,2,0,0,0,0|1,0,1]=4 92 B17R1.1069 CC(O)CNNC(=O)C(O)c1ccc(cc1)O 22a_200000730056_100011215213 [0,2,0,0,0,0|1,0,1]=4 93 B17R1.2424 O=C(NC[C@H](O)CO)C(O)c1ccc(cc1)O 240690a_100020644852_100011215213 [0,2,0,0,0,0|1,0,1]=4 94 B17R1.6758 O=C(NCCCO)C(O)c1ccc(c(c1)O)O 240690a_100000182051_200000032065 [0,2,0,0,0,0|1,0,1]=4 95 B17R1.968 O=C(CNCC(O)c1ccc(cc1)O)NCO 34a_100000067596_100000185155 [0,2,0,0,0,0|1,0,1]=4 96 B17R1.9269 OCC#CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200000047223 [0,2,0,0,0,0|0,0,2]=4 97 B17R1.9269 OCCCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011216708 [0,2,0,0,0,0|0,0,0]=2 98 B17R1.1146 CC(O)CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100012276601 [0,2,0,0,0,0|0,0,0]=2 99 B17R1.1146 NC(=O)CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000731001 [0,2,0,0,0,0|1,0,1]=4 100 B17R1.24361 C=CC(O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000730141 [0,2,0,0,0,0|0,0,2]=4 101 B17R1.24361 CCC(O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011218378 [0,2,0,0,0,0|0,0,0]=2 102 B17R1.24361 CNC(=O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000183359 [0,2,0,0,0,0|1,0,1]=4 103 B17R1.24361 C[C@@H](CO)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000059175 [0,2,0,0,0,0|1,0,0]=3 104 B17R1.24361 OCC(O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011219619 [0,2,0,0,0,0|1,0,0]=3 105 B17R1.24361 OC[C@H](O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009815848 [0,2,0,0,0,0|1,0,0]=3 106 B17R1.24361 Oc1ccc(cc1O)C(O)CNC[C@@H](O)CF 34a_100000106456_100015614560 [0,2,0,0,0,0|1,0,0]=3 107 B15R1.83 CCCCCCC(C)Sc1ccccc1 62a_100000719477_100011215978 [1,0,0,0,0,1|2,0,0]=4 108 B15R1.83 CCCCCCC(C)Sc1ccccc1 62a_100011215978_100000041952 [1,0,0,0,0,1|2,0,0]=4