0 B14R2.9440 CN(C)Cc1cccc2c1scc2 2230a_100102631434_100009816938 [0,0,0,0,0,0|1,0,3]=4 1 B14R2.9440 CN(C)Cc1cccc2c1scc2 269982a_100102631434_100009816938 [0,0,0,0,0,0|1,0,3]=4 2 B14R2.9440 CN(C)Cc1cccc2c1scc2 270004a_100102631434_100011934923 [0,0,0,0,0,0|1,0,3]=4 3 B13R2.292 CNCC1OCCc2c1ccs2 2230a_100025773454_200000210301 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.292 CNCC1OCCc2c1ccs2 34a_100025773454_200000210301 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 2230a_100025773454_200025704644 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 34a_100025773454_200025704644 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.343 C=C(C)CCNCCc1ccsc1 2230a_100000692642_100000730704 [0,0,1,0,0,0|2,0,1]=4 8 B13R1.343 C=C(C)CCNCCc1ccsc1 34a_100000692642_100000730704 [0,0,1,0,0,0|2,0,1]=4 9 B13R1.343 C=C(C)CCOCC[n+]1ccsc1 34a_200000100414_100000730704 [0,0,1,0,0,0|2,0,1]=4 10 B13R1.343 C=C(C)CCOCCc1ccsc1 34a_100000748821_100000730704 [0,0,1,0,0,0|1,0,1]=3 11 B13R1.343 CC(=CCNCCc1ccsc1)C 2230a_100000692642_100000761012 [0,0,1,0,0,0|2,0,1]=4 12 B13R1.343 CC(=CCNCCc1ccsc1)C 34a_100000692642_100000761012 [0,0,1,0,0,0|2,0,1]=4 13 B13R1.343 CC(=CCOCC[n+]1ccsc1)C 34a_200000100414_100000761012 [0,0,1,0,0,0|2,0,1]=4 14 B13R1.343 CC(=CCOCCc1ccsc1)C 34a_100000748821_100000761012 [0,0,1,0,0,0|1,0,1]=3 15 B13R1.343 CC(=O)OCOCCc1ccsc1 34a_100000748821_100009813279 [0,0,1,0,0,0|3,0,0]=4 16 B13R1.343 CC(C)CCCCOc1ccsc1 34a_100000106738_100011216152 [0,0,1,0,0,0|3,0,0]=4 17 B13R1.343 CC(C)CCCCOc1ccsc1 7a_100000106738_100011216152 [0,0,1,0,0,0|3,0,0]=4 18 B13R1.343 CC(C)CCCCSc1ccsc1 62a_100000738268_100011216152 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.343 CC(C)CCCCSc1ccsc1 62a_100011216152_100000738268 [0,0,1,0,0,0|3,0,0]=4 20 B13R1.343 CC(C)CCCNCc1ccsc1 207a_200000737386_100000188534 [0,0,1,0,0,0|3,0,0]=4 21 B13R1.343 CC(C)CCCNCc1ccsc1 2230a_100000186416_100011214892 [0,0,1,0,0,0|3,0,0]=4 22 B13R1.343 CC(C)CCCNCc1ccsc1 2230a_200000737386_100011261437 [0,0,1,0,0,0|3,0,0]=4 23 B13R1.343 CC(C)CCCNCc1ccsc1 270004a_200000737386_100000188534 [0,0,1,0,0,0|3,0,0]=4 24 B13R1.343 CC(C)CCCNCc1ccsc1 34a_100000186416_100011214892 [0,0,1,0,0,0|3,0,0]=4 25 B13R1.343 CC(C)CCCNCc1ccsc1 34a_200000737386_100011261437 [0,0,1,0,0,0|3,0,0]=4 26 B13R1.343 CC(C)CCCOCc1ccsc1 34a_100000210774_100011261437 [0,0,1,0,0,0|3,0,0]=4 27 B13R1.343 CC(C)CCCOCc1ccsc1 34a_100011215551_100011214892 [0,0,1,0,0,0|3,0,0]=4 28 B13R1.343 CC(C)CCCOCc1ccsc1 7a_100000210774_100011261437 [0,0,1,0,0,0|3,0,0]=4 29 B13R1.343 CC(C)CCCSCc1ccsc1 62a_100011214892_100011233845 [0,0,1,0,0,0|3,0,0]=4 30 B13R1.343 CC(C)CCCSCc1ccsc1 62a_100011261437_100011214892 [0,0,1,0,0,0|3,0,0]=4 31 B13R1.343 CC(C)CCNCCc1ccsc1 2230a_100000692642_100000210312 [0,0,1,0,0,0|2,0,0]=3 32 B13R1.343 CC(C)CCNCCc1ccsc1 269862a_100000692642_100000185833 [0,0,1,0,0,0|2,0,0]=3 33 B13R1.343 CC(C)CCNCCc1ccsc1 34a_100000692642_100000210312 [0,0,1,0,0,0|2,0,0]=3 34 B13R1.343 CC(C)CCOCC[n+]1ccsc1 34a_200000100414_100000210312 [0,0,1,0,0,0|2,0,0]=3 35 B13R1.343 CC(C)CCOCCc1c[nH]cn1 7a_100000210254_100020628418 [0,0,1,0,0,0|3,0,0]=4 36 B13R1.343 CC(C)CCOCCc1cccs1 34a_100000210254_100000748579 [0,0,1,0,0,0|3,0,0]=4 37 B13R1.343 CC(C)CCOCCc1cccs1 34a_100011216825_100000210312 [0,0,1,0,0,0|3,0,0]=4 38 B13R1.343 CC(C)CCOCCc1cccs1 7a_100000210254_100000748579 [0,0,1,0,0,0|3,0,0]=4 39 B13R1.343 CC(C)CCOCCc1cccs1 7a_100011216825_100000210626 [0,0,1,0,0,0|3,0,0]=4 40 B13R1.343 CC(C)CCOCCc1ccsc1 34a_100000748821_100000210312 [0,0,1,0,0,0|1,0,0]=2 41 B13R1.343 CC(C)CCOCCc1cn[nH]c1 34a_100000766553_100000210312 [0,0,1,0,0,0|3,0,0]=4 42 B13R1.343 CC(C)CCOCCc1cn[nH]c1 7a_100000210254_100000743252 [0,0,1,0,0,0|3,0,0]=4 43 B13R1.343 CC(C)CCOCCc1cnoc1 34a_100000732699_100000210312 [0,0,1,0,0,0|2,1,0]=4 44 B13R1.343 CC(C)CCOCCn1cccc1 34a_100000179382_100000210312 [0,0,1,0,0,0|3,0,0]=4 45 B13R1.343 CC(C)CCOCCn1cccc1 7a_100000210254_200000035178 [0,0,1,0,0,0|3,0,0]=4 46 B13R1.343 CC(C)CCOCCn1ccnc1 34a_100000719764_100000210312 [0,0,1,0,0,0|3,0,0]=4 47 B13R1.343 CC(C)CCOCCn1ccnc1 7a_100000210254_100000702546 [0,0,1,0,0,0|3,0,0]=4 48 B13R1.343 CC(C)COCCCc1ccsc1 34a_200000699776_100000210624 [0,0,1,0,0,0|3,0,0]=4 49 B13R1.343 CC(C)COCCCc1ccsc1 7a_200000699776_100000210760 [0,0,1,0,0,0|3,0,0]=4 50 B13R1.343 CC(C)OCNCCc1ccsc1 2230a_100000692642_100000709892 [0,0,1,0,0,0|3,0,0]=4 51 B13R1.343 CC(C)OCNCCc1ccsc1 34a_100000692642_100000709892 [0,0,1,0,0,0|3,0,0]=4 52 B13R1.343 CC(C)OCOCC[n+]1ccsc1 34a_200000100414_100000709892 [0,0,1,0,0,0|3,0,0]=4 53 B13R1.343 CC(C)OCOCCc1ccsc1 34a_100000748821_100000709892 [0,0,1,0,0,0|2,0,0]=3 54 B13R1.343 CC(O)CCNCCc1ccsc1 2230a_100000692642_100012276601 [0,0,1,0,0,0|3,0,0]=4 55 B13R1.343 CC(O)CCNCCc1ccsc1 34a_100000692642_100012276601 [0,0,1,0,0,0|3,0,0]=4 56 B13R1.343 CC(O)CCOCC[n+]1ccsc1 34a_200000100414_100012276601 [0,0,1,0,0,0|3,0,0]=4 57 B13R1.343 CC(O)CCOCCc1ccsc1 34a_100000748821_100012276601 [0,0,1,0,0,0|2,0,0]=3 58 B13R1.343 CN(C)CCCCSc1ccoc1 62a_100011215275_100000690147 [0,0,1,0,0,0|2,1,0]=4 59 B13R1.343 CN(C)CCCCSc1ccsc1 62a_100000738268_100000690147 [0,0,1,0,0,0|2,0,0]=3 60 B13R1.343 CN(C)CCCCSc1ccsn1 62a_100009818082_100000690147 [0,0,1,0,0,0|3,0,0]=4 61 B13R1.343 CN(C)CCCCSc1cnsc1 62a_100009815736_100000690147 [0,0,1,0,0,0|3,0,0]=4 62 B13R1.343 CN(C)CCCCSc1cscn1 62a_100000751502_100000690147 [0,0,1,0,0,0|3,0,0]=4 63 B13R1.343 CN(C)CCCNCc1ccoc1 207a_102531767803_100011215517 [0,0,1,0,0,0|2,1,0]=4 64 B13R1.343 CN(C)CCCNCc1ccoc1 270004a_102531767803_100011215517 [0,0,1,0,0,0|2,1,0]=4 65 B13R1.343 CN(C)CCCNCc1ccsc1 207a_102531767803_100000188534 [0,0,1,0,0,0|2,0,0]=3 66 B13R1.343 CN(C)CCCNCc1ccsc1 270004a_102531767803_100000188534 [0,0,1,0,0,0|2,0,0]=3 67 B13R1.343 CN(C)CCCNCc1cscn1 207a_102531767803_100000743575 [0,0,1,0,0,0|3,0,0]=4 68 B13R1.343 CN(C)CCCNCc1cscn1 270004a_102531767803_100000743575 [0,0,1,0,0,0|3,0,0]=4 69 B13R1.343 CN(C)CCCSCc1ccsc1 62a_100011261437_100000757444 [0,0,1,0,0,0|2,0,0]=3 70 B13R1.343 CN(C)CCCSCc1cscn1 62a_100000205941_100000757444 [0,0,1,0,0,0|3,0,0]=4 71 B13R1.343 CN(C)CCOCCc1cccs1 7a_100011216825_100000755713 [0,0,1,0,0,0|2,0,0]=3 72 B13R1.343 CN(C)CCSCCc1c[nH]cn1 62a_100020628418_100000755713 [0,0,1,0,0,0|2,1,0]=4 73 B13R1.343 CN(C)CCSCCc1cccs1 62a_100000748579_100000755713 [0,0,1,0,0,0|2,1,0]=4 74 B13R1.343 CN(C)CCSCCc1cn[nH]c1 62a_100000743252_100000755713 [0,0,1,0,0,0|2,1,0]=4 75 B13R1.343 CN(C)CCSCCn1cccc1 62a_200009811947_100000755713 [0,0,1,0,0,0|2,1,0]=4 76 B13R1.343 CN(C)CCSCCn1ccnc1 62a_100000702546_100000755713 [0,0,1,0,0,0|2,1,0]=4 77 B13R1.343 NC(=O)CCOCCc1ccsc1 34a_100000748821_100000731001 [0,0,1,0,0,0|3,0,0]=4 78 B13R1.403 CCCC(NC(C)C)c1cccs1 2230a_200015187693_100000210206 [0,0,1,0,0,0|3,0,0]=4 79 B13R1.403 CCCC(NC(C)C)c1cccs1 34a_200015187693_100000210206 [0,0,1,0,0,0|3,0,0]=4 80 B13R1.2800 CC(C)C[C@H](N)c1sccc1CN 271570a_100015190218_100000727803 [0,0,1,0,0,0|3,0,0]=4 81 B13R1.2800 CC(C)C[C@H](N)c1sccc1CO 271570a_100015190218_100009816922 [0,0,1,0,0,0|3,0,0]=4 82 B13R1.2800 CCc1ccsc1[C@@H](N)CC(C)C 271570a_100015190218_200009875468 [0,0,1,0,0,0|2,0,0]=3 83 B13R2.5569 CN(C)C1CCCn2c1ncc2 270004a_100102631434_100009825951 [0,0,0,0,1,0|3,0,0]=4 84 B15R2.19753 CC(C)CNC1CCCc2c1occ2 269862a_100000210953_100009877200 [0,0,0,0,0,1|2,1,0]=4 85 B15R2.19753 CC(C)NCC1OCCc2c1ccs2 2230a_100025773454_100000210206 [0,0,0,0,0,1|3,0,0]=4 86 B15R2.19753 CC(C)NCC1OCCc2c1ccs2 34a_100025773454_100000210206 [0,0,0,0,0,1|3,0,0]=4 87 B15R2.68122 CC(=O)CC1OCCc2c1cccc2 1458a_100000751863_200000210301 [0,0,0,0,0,1|3,0,0]=4 88 B15R2.68122 CN(C)CC1OCCc2c1cccc2 2230a_100015203942_200000210301 [0,0,0,0,0,1|1,0,0]=2 89 B15R2.68122 CN(C)CC1OCCc2c1cccc2 269982a_100015203942_200000210301 [0,0,0,0,0,1|1,0,0]=2 90 B15R2.68122 CN(C)CC1OCCc2c1cccc2 34a_100015203942_200000210301 [0,0,0,0,0,1|1,0,0]=2 91 B15R2.68122 CN([13CH3])CC1OCCc2c1cccc2 2230a_100015203942_200025704644 [0,0,0,0,0,1|1,0,0]=2 92 B15R2.68122 CN([13CH3])CC1OCCc2c1cccc2 269982a_100015203942_200025704644 [0,0,0,0,0,1|1,0,0]=2 93 B15R2.68122 CN([13CH3])CC1OCCc2c1cccc2 34a_100015203942_200025704644 [0,0,0,0,0,1|1,0,0]=2 94 B15R2.68122 [13CH3]C(=O)CC1OCCc2c1cccc2 1458a_100000751863_200025704644 [0,0,0,0,0,1|3,0,0]=4 95 B12R1.37 C#CCCOCCc1ccsc1 34a_100000748821_100000688953 [1,0,1,0,0,0|1,0,1]=4 96 B12R1.37 C/C=C/COCCc1ccsc1 34a_100000748821_100102629194 [1,0,1,0,0,0|1,0,1]=4 97 B12R1.37 C=CCCOCCc1ccsc1 34a_100000748821_100000754431 [1,0,1,0,0,0|1,0,1]=4 98 B12R1.37 CC#CCOCCc1ccsc1 34a_100000748821_100000748600 [1,0,1,0,0,0|1,0,1]=4 99 B12R1.37 CC=CCOCCc1ccsc1 34a_100000748821_100000070051 [1,0,1,0,0,0|1,0,1]=4 100 B12R1.37 CCCCNCCc1ccsc1 2230a_100000692642_100000210211 [1,0,1,0,0,0|2,0,0]=4 101 B12R1.37 CCCCNCCc1ccsc1 34a_100000692642_100000210210 [1,0,1,0,0,0|2,0,0]=4 102 B12R1.37 CCCCOCC[n+]1ccsc1 34a_200000100414_100000210210 [1,0,1,0,0,0|2,0,0]=4 103 B12R1.37 CCCCOCCc1ccsc1 34a_100000748821_100000210210 [1,0,1,0,0,0|1,0,0]=3 104 B12R1.37 CCCCOCOc1ccsc1 34a_100000106738_100011995733 [1,0,1,0,0,0|2,0,0]=4 105 B12R1.37 CCCCOCSc1ccsc1 62a_100000738268_100011995733 [1,0,1,0,0,0|2,0,0]=4 106 B12R1.37 CCCCOCSc1ccsc1 62a_100011995733_100000738268 [1,0,1,0,0,0|2,0,0]=4 107 B12R1.37 CNCCCOCc1ccsc1 34a_100000213112_100011261437 [1,0,1,0,0,0|2,0,0]=4 108 B12R1.37 COCCNCCc1ccsc1 2230a_100000692642_100011201679 [1,0,1,0,0,0|2,0,0]=4 109 B12R1.37 COCCNCCc1ccsc1 34a_100000692642_100011201679 [1,0,1,0,0,0|2,0,0]=4 110 B12R1.37 COCCOCC[n+]1ccsc1 34a_200000100414_100011201679 [1,0,1,0,0,0|2,0,0]=4 111 B12R1.37 COCCOCCc1ccsc1 34a_100000748821_100011201679 [1,0,1,0,0,0|1,0,0]=3 112 B12R1.37 COCCOCSc1ccsc1 62a_100000231047_100000738268 [1,0,1,0,0,0|2,0,0]=4 113 B12R1.37 COCCOCSc1ccsc1 62a_100000738268_100000231047 [1,0,1,0,0,0|2,0,0]=4 114 B12R1.37 CSCCNCCc1ccsc1 2230a_100000692642_100000751147 [1,0,1,0,0,0|2,0,0]=4 115 B12R1.37 CSCCNCCc1ccsc1 34a_100000692642_100000212216 [1,0,1,0,0,0|2,0,0]=4 116 B12R1.37 CSCCOCC[n+]1ccsc1 34a_200000100414_100000212216 [1,0,1,0,0,0|2,0,0]=4 117 B12R1.37 CSCCOCCc1ccsc1 34a_100000748821_100000212216 [1,0,1,0,0,0|1,0,0]=3 118 B12R1.37 FCCCOCCc1ccsc1 34a_100000748821_100011934791 [1,0,1,0,0,0|2,0,0]=4 119 B12R1.37 OCCCOCCc1ccsc1 34a_100000748821_100000230001 [1,0,1,0,0,0|2,0,0]=4 120 B12R1.81 CC(C)CSc1sccc1CO 62a_100000210624_100009816922 [1,0,1,0,0,0|2,0,0]=4 121 B12R1.81 CC(C)CSc1sccc1CO 62a_100009816922_100000210760 [1,0,1,0,0,0|2,0,0]=4 122 B12R1.81 CCc1ccsc1SCC(C)C 62a_100000210624_200009875468 [1,0,1,0,0,0|2,0,0]=4 123 B12R1.81 CCc1ccsc1SCC(C)C 62a_200009875468_100000210760 [1,0,1,0,0,0|2,0,0]=4 124 B12R1.293 CCCC(NCC)c1cccs1 2230a_200015187693_100000210202 [1,0,1,0,0,0|2,0,0]=4 125 B12R1.293 CCCC(NCC)c1cccs1 269862a_100015525214_100011218182 [1,0,1,0,0,0|2,0,0]=4 126 B12R1.293 CCCC(NCC)c1cccs1 34a_200015187693_100000210202 [1,0,1,0,0,0|2,0,0]=4 127 B12R1.476 CCC(NC(C)C)c1cccs1 2230a_100000743277_100000210206 [1,0,1,0,0,0|2,0,0]=4 128 B12R1.134 CCCC(NC)c1sccc1C 269862a_106832991636_200011510482 [1,0,1,0,0,0|2,0,0]=4 129 B12R1.144 Cc1ccsc1[C@@H](N)CC(C)C 271570a_100015190218_100000742657 [1,0,1,0,0,0|2,0,0]=4 130 B12R2.315 CNC1CCCc2c1occ2 269862a_106832991636_100009877200 [2,0,0,0,0,0|1,1,0]=4 131 B14R1.128 CN(C)CCCNCc1csc(c1)Br 207a_102531767803_100000737087 [0,1,1,0,0,0|2,0,0]=4 132 B14R1.128 CN(C)CCCNCc1csc(c1)Br 270004a_102531767803_100000737087 [0,1,1,0,0,0|2,0,0]=4 133 B14R1.128 CN(C)CCCNCc1csc(c1)Cl 207a_102531767803_100009844934 [0,1,1,0,0,0|2,0,0]=4 134 B14R1.128 CN(C)CCCNCc1csc(c1)Cl 270004a_102531767803_100009844934 [0,1,1,0,0,0|2,0,0]=4 135 B14R1.128 CN(C)CCCOCc1csc(c1)Cl 7a_100009863405_100000757444 [0,1,1,0,0,0|2,0,0]=4 136 B14R1.128 CN(C)CCOCCc1cnc(s1)N 7a_100000124125_100000755713 [0,1,1,0,0,0|2,0,0]=4 137 B14R1.128 Cc1cc(cs1)CNCCCN(C)C 207a_102531767803_100011998532 [0,1,1,0,0,0|2,0,0]=4 138 B14R1.128 Cc1cc(cs1)CNCCCN(C)C 270004a_102531767803_100011998532 [0,1,1,0,0,0|2,0,0]=4 139 B14R1.128 Cc1cc(cs1)SCCCCN(C)C 62a_100000759034_100000690147 [0,1,1,0,0,0|2,0,0]=4 140 B14R1.128 Cc1ccc(o1)CCOCCN(C)C 7a_100012161071_100000755713 [0,1,1,0,0,0|2,0,0]=4 141 B14R1.128 Cc1nc(cs1)CCOCCC(C)C 34a_100000210254_100000695623 [0,1,1,0,0,0|2,0,0]=4 142 B14R1.128 Cc1nc(cs1)CCOCCC(C)C 34a_100011934828_100000210312 [0,1,1,0,0,0|2,0,0]=4 143 B14R1.128 Cc1nc(cs1)CCOCCC(C)C 7a_100000210254_100000695623 [0,1,1,0,0,0|2,0,0]=4 144 B14R1.128 Cc1nc(cs1)CCSCCN(C)C 62a_100000695623_100000755713 [0,1,1,0,0,0|1,1,0]=4 145 B14R1.168 CN(C)CCCCSc1cscc1Br 62a_100010143727_100000690147 [0,1,1,0,0,0|2,0,0]=4 146 B14R1.168 CN(C)CCCNCc1ccsc1Br 207a_102531767803_100009816921 [0,1,1,0,0,0|2,0,0]=4 147 B14R1.168 CN(C)CCCNCc1ccsc1Br 270004a_102531767803_100009816921 [0,1,1,0,0,0|2,0,0]=4 148 B14R1.168 CN(C)CCCNCc1ccsc1Cl 207a_102531767803_100000089901 [0,1,1,0,0,0|2,0,0]=4 149 B14R1.168 CN(C)CCCNCc1ccsc1Cl 270004a_102531767803_100000089901 [0,1,1,0,0,0|2,0,0]=4 150 B14R1.168 CN(C)CCCNCc1cscc1Br 207a_102531767803_100000685484 [0,1,1,0,0,0|2,0,0]=4 151 B14R1.168 CN(C)CCCNCc1cscc1Br 270004a_102531767803_100000685484 [0,1,1,0,0,0|2,0,0]=4 152 B14R1.168 CN(C)CCCOCc1ccsc1Br 7a_100009816922_100000757444 [0,1,1,0,0,0|2,0,0]=4 153 B14R1.168 CN(C)CCCSCc1ccsc1Br 62a_100009814289_100000757444 [0,1,1,0,0,0|2,0,0]=4 154 B14R1.168 CN(C)CCCSCc1ccsc1Cl 62a_100010167017_100000757444 [0,1,1,0,0,0|2,0,0]=4 155 B14R1.168 Cc1cscc1SCCCCN(C)C 62a_100000759966_100000690147 [0,1,1,0,0,0|2,0,0]=4 156 B14R1.168 Cc1nccn1CCOCCN(C)C 7a_100000702865_100000755713 [0,1,1,0,0,0|2,0,0]=4 157 B14R1.168 Cc1ncsc1CCOCCN(C)C 7a_100000211055_100000755713 [0,1,1,0,0,0|2,0,0]=4 158 B14R1.168 Cc1sccc1SCCCCN(C)C 62a_100000684487_100000690147 [0,1,1,0,0,0|2,0,0]=4 159 B14R1.418 CC(C)CCNCC(O)c1ccsc1 2230a_100000758718_100000210312 [0,1,1,0,0,0|2,0,0]=4 160 B14R1.418 CC(C)CCNCC(O)c1ccsc1 269862a_100000758718_100000185833 [0,1,1,0,0,0|2,0,0]=4 161 B14R1.418 CC(C)CCNCC(O)c1ccsc1 34a_100000758718_100000210312 [0,1,1,0,0,0|2,0,0]=4 162 B14R1.418 CC(C)CCOCC(=O)c1ccsc1 34a_100000210254_100011219462 [0,1,1,0,0,0|1,0,1]=4 163 B14R1.418 CC(C)CCOCC(=O)c1ccsc1 7a_100000210254_100011219462 [0,1,1,0,0,0|1,0,1]=4 164 B14R1.418 CC(NCCCN(C)C)c1ccsc1 269862a_102531767803_100000747891 [0,1,1,0,0,0|2,0,0]=4 165 B14R1.418 CC(OCCCN(C)C)c1ccsc1 7a_100011350980_100000757444 [0,1,1,0,0,0|2,0,0]=4 166 B14R1.418 CN(C)CCSCC(=O)c1ccsc1 62a_100011219462_100000755713 [0,1,1,0,0,0|0,1,1]=4 167 B14R1.730 CCN(C)CCCNCc1ccsc1 2230a_100000186416_100015186262 [0,1,1,0,0,0|2,0,0]=4 168 B14R1.730 CCN(C)CCCSCc1ccsc1 62a_100011261437_100015186262 [0,1,1,0,0,0|2,0,0]=4 169 B14R1.730 CNC(=O)CCOCCc1ccsc1 34a_100000748821_100012179268 [0,1,1,0,0,0|2,0,0]=4 170 B14R1.730 COC(=O)CCOCCc1ccsc1 34a_100000748821_100000742370 [0,1,1,0,0,0|2,0,0]=4 171 B14R1.810 CC(C)CCNC(C)Cc1ccsc1 2230a_100000743546_100000210312 [0,1,1,0,0,0|2,0,0]=4 172 B14R1.810 CC(C)CCNC(C)Cc1ccsc1 269862a_100000743546_100000185833 [0,1,1,0,0,0|2,0,0]=4 173 B14R1.810 CC(C)CCNC(C)Cc1ccsc1 34a_100000743546_100000210312 [0,1,1,0,0,0|2,0,0]=4 174 B14R1.810 CC(Cc1ccco1)OCCN(C)C 7a_100011803939_100000755713 [0,1,1,0,0,0|2,0,0]=4 175 B14R1.810 CN(C)CCCC(=O)Cc1ccsc1 1458a_100000184062_100000695564 [0,1,1,0,0,0|1,0,1]=4 176 B14R1.810 CN(C)CCCN(C)Cc1ccsc1 269982a_100000225831_100011233845 [0,1,1,0,0,0|2,0,0]=4 177 B14R1.810 CN(C)CCCN(C)Cc1ccsc1 269982a_100020654213_100000757444 [0,1,1,0,0,0|2,0,0]=4 178 B14R1.810 CN(C)CCCN(C)Cc1ccsc1 270004a_100000225831_100000188534 [0,1,1,0,0,0|2,0,0]=4 179 B14R1.810 CN(C)CCNC(=O)Cc1ccsc1 240690a_100000210585_100000184062 [0,1,1,0,0,0|1,0,1]=4 180 B14R1.810 CN(C)CCNC(=O)Cc1ccsc1 527a_100000210585_100000184062 [0,1,1,0,0,0|1,0,1]=4 181 B14R1.3218 CC(C)C(=O)COCCc1ccsc1 34a_100000748821_100000753385 [0,1,1,0,0,0|1,0,1]=4 182 B14R1.3218 CN(C)C(=O)CNCCc1ccsc1 2230a_100000692642_100000185267 [0,1,1,0,0,0|1,0,1]=4 183 B14R1.3218 CN(C)C(=O)CNCCc1ccsc1 34a_100000692642_100000692301 [0,1,1,0,0,0|1,0,1]=4 184 B14R1.3218 CN(C)C(=O)COCC[n+]1ccsc1 34a_200000100414_100000692301 [0,1,1,0,0,0|1,0,1]=4 185 B14R1.3218 CN(C)C(=O)COCCc1ccsc1 34a_100000748821_100000692301 [0,1,1,0,0,0|0,0,1]=3 186 B14R1.3333 CC(C)(C)CCNCCc1ccsc1 2230a_100000692642_100000755188 [0,1,1,0,0,0|2,0,0]=4 187 B14R1.3333 CC(C)(C)CCNCCc1ccsc1 34a_100000692642_100000755188 [0,1,1,0,0,0|2,0,0]=4 188 B14R1.3333 CC(C)(C)CCOCC[n+]1ccsc1 34a_200000100414_100000755188 [0,1,1,0,0,0|2,0,0]=4 189 B14R1.3333 CC(C)(C)CCOCCc1ccsc1 34a_100000748821_100000755188 [0,1,1,0,0,0|1,0,0]=3 190 B14R1.3333 CC(C)(O)CCNCCc1ccsc1 2230a_100000692642_100000702414 [0,1,1,0,0,0|2,0,0]=4 191 B14R1.3333 CC(C)(O)CCNCCc1ccsc1 34a_100000692642_100000702414 [0,1,1,0,0,0|2,0,0]=4 192 B14R1.3333 CC(C)(O)CCOCC[n+]1ccsc1 34a_200000100414_100000702414 [0,1,1,0,0,0|2,0,0]=4 193 B14R1.3333 CC(C)(O)CCOCCc1ccsc1 34a_100000748821_100000702414 [0,1,1,0,0,0|1,0,0]=3 194 B14R1.3333 CS(=O)(=O)CCOCCc1ccsc1 34a_100000748821_100000731031 [0,1,1,0,0,0|2,0,0]=4 195 B14R1.3333 C[N+](C)(C)CCNCCc1ccsc1 34a_100000692642_100000085578 [0,1,1,0,0,0|1,0,1]=4 196 B14R1.3333 C[N+](C)(C)CCOCC[n+]1ccsc1 34a_200000100414_100000085578 [0,1,1,0,0,0|1,0,1]=4 197 B14R1.3333 C[N+](C)(C)CCOCCc1ccsc1 34a_100000748821_100000085578 [0,1,1,0,0,0|0,0,1]=3 198 B14R1.3333 C[Si](C)(C)CCNCCc1ccsc1 2230a_100000692642_200000733723 [0,1,1,0,0,0|2,0,0]=4 199 B14R1.3333 C[Si](C)(C)CCNCCc1ccsc1 34a_100000692642_200000733723 [0,1,1,0,0,0|2,0,0]=4 200 B14R1.3333 C[Si](C)(C)CCOCC[n+]1ccsc1 34a_200000100414_200000733723 [0,1,1,0,0,0|2,0,0]=4 201 B14R1.3333 C[Si](C)(C)CCOCCc1ccsc1 34a_100000748821_200000733723 [0,1,1,0,0,0|1,0,0]=3 202 B14R1.3333 C[Si](C)(C)CCOCOc1ccsc1 34a_100000106738_100000032501 [0,1,1,0,0,0|2,0,0]=4 203 B14R1.3333 C[Si](C)(C)CCOCSc1ccsc1 62a_100000032501_100000738268 [0,1,1,0,0,0|2,0,0]=4 204 B14R1.3333 C[Si](C)(C)CCOCSc1ccsc1 62a_100000738268_100000032501 [0,1,1,0,0,0|2,0,0]=4 205 B14R1.4526 CC(C)CCC(=O)CCc1ccsc1 1458a_100000195497_100000210312 [0,1,1,0,0,0|2,0,0]=4 206 B14R1.4526 CN(C)CCC(=O)NCc1ccsc1 11a_100000186416_100000689311 [0,1,1,0,0,0|2,0,0]=4 207 B14R1.4526 CN(C)CCC(=O)NCc1ccsc1 240690a_100000186416_100000689311 [0,1,1,0,0,0|2,0,0]=4 208 B14R1.4526 CN(C)CCC(=O)NCc1ccsc1 527a_100000186416_100000689311 [0,1,1,0,0,0|2,0,0]=4 209 B14R1.6454 CC(C)CC(C)NCCc1ccsc1 2230a_100000692642_100000731052 [0,1,1,0,0,0|2,0,0]=4 210 B14R1.6454 CC(C)CC(C)NCCc1ccsc1 34a_100000692642_100000731052 [0,1,1,0,0,0|2,0,0]=4 211 B14R1.6454 CC(C)CC(C)OCC[n+]1ccsc1 34a_200000100414_100000731052 [0,1,1,0,0,0|2,0,0]=4 212 B14R1.6454 CC(C)CC(C)OCCc1ccsc1 34a_100000748821_100000731052 [0,1,1,0,0,0|1,0,0]=3 213 B14R1.6454 CC(CNCc1ccsc1)CN(C)C 2230a_100000186416_100015348159 [0,1,1,0,0,0|2,0,0]=4 214 B14R1.6454 CC(CSCc1ccsc1)CN(C)C 62a_100011261437_100015348159 [0,1,1,0,0,0|2,0,0]=4 215 B14R1.6454 CC(CSCc1ccsc1)CN(C)C 62a_100015348159_100011233845 [0,1,1,0,0,0|2,0,0]=4 216 B14R1.6454 CN(C)CC(=O)NCCc1ccsc1 11a_100000692642_100000750896 [0,1,1,0,0,0|1,0,1]=4 217 B14R1.6454 CN(C)CC(=O)NCCc1ccsc1 2230a_100102631434_100000742133 [0,1,1,0,0,0|1,0,1]=4 218 B14R1.6454 CN(C)CC(=O)NCCc1ccsc1 240690a_100000692642_100000750896 [0,1,1,0,0,0|1,0,1]=4 219 B14R1.6454 CN(C)CC(=O)NCCc1ccsc1 269982a_100102631434_100000742133 [0,1,1,0,0,0|1,0,1]=4 220 B14R1.6454 CN(C)CC(=O)NCCc1ccsc1 527a_100000692642_100000750896 [0,1,1,0,0,0|1,0,1]=4 221 B14R2.892 CCNCC1OCCc2c1ccs2 2230a_100025773454_100000210202 [1,1,0,0,0,0|2,0,0]=4 222 B14R2.892 CCNCC1OCCc2c1ccs2 34a_100025773454_100000210202 [1,1,0,0,0,0|2,0,0]=4 223 B14R2.892 FCNCC1OCCc2c1ccs2 34a_100025773454_100015361967 [1,1,0,0,0,0|2,0,0]=4 224 B14R2.10893 CCC(C)NC1CCc2c1scc2 269862a_100000209981_100000080523 [0,1,0,0,1,0|2,0,0]=4 225 B14R2.10893 C[C@H](CF)NC1CCc2c1scc2 269862a_100102880703_100000080523 [0,1,0,0,1,0|2,0,0]=4 226 B14R2.10893 C[C@H](CO)NC1CCc2c1scc2 269862a_100000737577_100000080523 [0,1,0,0,1,0|2,0,0]=4 227 B16R2.170412 CCN(C)CC1OCCc2c1cccc2 2230a_100015203942_100000210202 [0,1,0,0,0,1|1,0,0]=3 228 B16R2.170412 CCN(C)CC1OCCc2c1cccc2 269982a_100015203942_100000204670 [0,1,0,0,0,1|1,0,0]=3 229 B16R2.170412 CCN(C)CC1OCCc2c1cccc2 34a_100015203942_100000210202 [0,1,0,0,0,1|1,0,0]=3 230 B16R2.170412 CN(CF)CC1OCCc2c1cccc2 269982a_100015203942_100015361967 [0,1,0,0,0,1|1,0,0]=3 231 B16R2.170412 CN(CF)CC1OCCc2c1cccc2 34a_100015203942_100015361967 [0,1,0,0,0,1|1,0,0]=3 232 B16R2.244415 CN(C)C(=O)C1OCCc2c1cccc2 11a_100102631434_100000026751 [0,1,0,0,0,1|1,0,1]=4 233 B16R2.244415 CN(C)C(=O)C1OCCc2c1cccc2 1626a_100102631434_100000026751 [0,1,0,0,0,1|1,0,1]=4 234 B16R2.244415 CN(C)C(=O)C1OCCc2c1cccc2 240690a_100102631434_100000026751 [0,1,0,0,0,1|1,0,1]=4 235 B16R2.244415 CN(C)C(=O)C1OCCc2c1cccc2 527a_100102631434_100000026751 [0,1,0,0,0,1|1,0,1]=4 236 B14R2.252 CN1CCC(C1)COc2ccsc2 34a_100000106738_200000690779 [0,0,1,1,0,0|2,0,0]=4 237 B14R2.252 CN1CCC(C1)COc2ccsc2 7a_100000106738_200000690779 [0,0,1,1,0,0|2,0,0]=4 238 B14R2.252 CN1CCC(C1)CSc2ccsc2 62a_100000738268_200000690779 [0,0,1,1,0,0|2,0,0]=4 239 B14R2.252 CN1CCC(C1)CSc2ccsc2 62a_200000690779_100000738268 [0,0,1,1,0,0|2,0,0]=4 240 B14R2.252 CN1CCC(C1)NCc2ccsc2 207a_100000744687_100000188534 [0,0,1,1,0,0|2,0,0]=4 241 B14R2.252 CN1CCC(C1)NCc2ccsc2 270004a_100000744687_100000188534 [0,0,1,1,0,0|2,0,0]=4 242 B14R2.252 CN1CCC(C1)SCc2ccsc2 62a_100011261437_200012183744 [0,0,1,1,0,0|2,0,0]=4 243 B14R2.439 CN1CC(C1)CNCc2ccsc2 270004a_100000723568_100000188534 [0,0,1,1,0,0|2,0,0]=4 244 B14R2.3017 c1c[n+](cs1)CCOCCC2CC2 34a_200000100414_100000694398 [0,0,1,1,0,0|2,0,0]=4 245 B14R2.3017 c1cc(cs1)CCNCCC2CC2 2230a_100000692642_100000694398 [0,0,1,1,0,0|2,0,0]=4 246 B14R2.3017 c1cc(cs1)CCNCCC2CC2 34a_100000692642_100000694398 [0,0,1,1,0,0|2,0,0]=4 247 B14R2.3017 c1cc(cs1)CCOCCC2CC2 34a_100000748821_100000694398 [0,0,1,1,0,0|1,0,0]=3 248 B14R2.3017 c1cc(cs1)CCOCCC2CO2 34a_100000748821_100000732470 [0,0,1,1,0,0|2,0,0]=4 249 B12R1.255 C=C(C)CCOCc1ccsc1 34a_100000764851_100011261437 [0,0,1,0,1,0|1,0,1]=4 250 B12R1.255 C=C(C)CCOCc1ccsc1 34a_100011215551_100000730704 [0,0,1,0,1,0|1,0,1]=4 251 B12R1.255 C=C(C)COCCc1ccsc1 34a_100000748821_100000748629 [0,0,1,0,1,0|1,0,1]=4 252 B12R1.255 CC(=CCOCc1ccsc1)C 34a_100000753907_100011261437 [0,0,1,0,1,0|1,0,1]=4 253 B12R1.255 CC(=CCOCc1ccsc1)C 34a_100011215551_100000761012 [0,0,1,0,1,0|1,0,1]=4 254 B12R1.255 CC(=O)CCOCc1ccsc1 34a_100000759926_100011261437 [0,0,1,0,1,0|2,0,0]=4 255 B12R1.255 CC(=O)CCOCc1ccsc1 7a_100000759926_100011261437 [0,0,1,0,1,0|2,0,0]=4 256 B12R1.255 CC(Br)CCOCc1ccsc1 34a_100009893172_100011261437 [0,0,1,0,1,0|2,0,0]=4 257 B12R1.255 CC(C)CCCOc1ccsc1 34a_100000106738_100011214892 [0,0,1,0,1,0|2,0,0]=4 258 B12R1.255 CC(C)CCCOc1ccsc1 7a_100000106738_100011214892 [0,0,1,0,1,0|2,0,0]=4 259 B12R1.255 CC(C)CCCSc1ccsc1 62a_100000738268_100011214892 [0,0,1,0,1,0|2,0,0]=4 260 B12R1.255 CC(C)CCCSc1ccsc1 62a_100011214892_100000738268 [0,0,1,0,1,0|2,0,0]=4 261 B12R1.255 CC(C)CCNCc1ccsc1 207a_100000210545_100000188534 [0,0,1,0,1,0|2,0,0]=4 262 B12R1.255 CC(C)CCNCc1ccsc1 2230a_100000186416_100000210312 [0,0,1,0,1,0|2,0,0]=4 263 B12R1.255 CC(C)CCNCc1ccsc1 269862a_100000186416_100000185833 [0,0,1,0,1,0|2,0,0]=4 264 B12R1.255 CC(C)CCNCc1ccsc1 270004a_100000210545_100000188534 [0,0,1,0,1,0|2,0,0]=4 265 B12R1.255 CC(C)CCNCc1ccsc1 34a_100000186416_100000210312 [0,0,1,0,1,0|2,0,0]=4 266 B12R1.255 CC(C)CCOCc1ccoc1 34a_100011215357_100000210312 [0,0,1,0,1,0|1,1,0]=4 267 B12R1.255 CC(C)CCOCc1ccsc1 34a_100000210254_100011261437 [0,0,1,0,1,0|1,0,0]=3 268 B12R1.255 CC(C)CCOCc1ccsc1 34a_100011215551_100000210312 [0,0,1,0,1,0|1,0,0]=3 269 B12R1.255 CC(C)CCOCc1ccsc1 7a_100000210254_100011261437 [0,0,1,0,1,0|1,0,0]=3 270 B12R1.255 CC(C)CCOCc1cscn1 34a_100000210254_100000205941 [0,0,1,0,1,0|2,0,0]=4 271 B12R1.255 CC(C)CCOCc1cscn1 7a_100000210254_100000205941 [0,0,1,0,1,0|2,0,0]=4 272 B12R1.255 CC(C)CCSCc1ccsc1 62a_100000210312_100011233845 [0,0,1,0,1,0|1,1,0]=4 273 B12R1.255 CC(C)CCSCc1ccsc1 62a_100011261437_100000210312 [0,0,1,0,1,0|1,1,0]=4 274 B12R1.255 CC(C)CNCCc1ccsc1 2230a_100000692642_100000210760 [0,0,1,0,1,0|2,0,0]=4 275 B12R1.255 CC(C)CNCCc1ccsc1 270004a_100000692642_100000210432 [0,0,1,0,1,0|2,0,0]=4 276 B12R1.255 CC(C)CNCCc1ccsc1 34a_100000692642_100000210624 [0,0,1,0,1,0|2,0,0]=4 277 B12R1.255 CC(C)COCC[n+]1ccsc1 34a_200000100414_100000210624 [0,0,1,0,1,0|2,0,0]=4 278 B12R1.255 CC(C)COCCc1ccsc1 34a_100000748821_100000210624 [0,0,1,0,1,0|1,0,0]=3 279 B12R1.255 CC(C)OCCCc1ccsc1 34a_200000699776_100000210206 [0,0,1,0,1,0|2,0,0]=4 280 B12R1.255 CC(C)OCCCc1ccsc1 7a_200000699776_100000210206 [0,0,1,0,1,0|2,0,0]=4 281 B12R1.255 CC(C)OCOCc1ccsc1 34a_100011215551_100000709892 [0,0,1,0,1,0|2,0,0]=4 282 B12R1.255 CC(O)CCOCc1ccsc1 34a_100011215551_100012276601 [0,0,1,0,1,0|2,0,0]=4 283 B12R1.255 CC(O)COCCc1ccsc1 34a_100000748821_100011218427 [0,0,1,0,1,0|2,0,0]=4 284 B12R1.255 CN(C)CCCOc1ccsc1 7a_100000106738_100000757444 [0,0,1,0,1,0|1,0,0]=3 285 B12R1.255 CN(C)CCCSc1ccoc1 62a_100011215275_100000757444 [0,0,1,0,1,0|1,1,0]=4 286 B12R1.255 CN(C)CCCSc1ccsc1 62a_100000738268_100000757444 [0,0,1,0,1,0|1,0,0]=3 287 B12R1.255 CN(C)CCCSc1ccsn1 62a_100009818082_100000757444 [0,0,1,0,1,0|2,0,0]=4 288 B12R1.255 CN(C)CCCSc1cnsc1 62a_100009815736_100000757444 [0,0,1,0,1,0|2,0,0]=4 289 B12R1.255 CN(C)CCCSc1cscn1 62a_100000751502_100000757444 [0,0,1,0,1,0|2,0,0]=4 290 B12R1.255 CN(C)CCNCc1ccoc1 207a_100000210585_100011215517 [0,0,1,0,1,0|1,1,0]=4 291 B12R1.255 CN(C)CCNCc1ccoc1 270004a_100000210585_100011215517 [0,0,1,0,1,0|1,1,0]=4 292 B12R1.255 CN(C)CCNCc1ccsc1 207a_100000210585_100000188534 [0,0,1,0,1,0|1,0,0]=3 293 B12R1.255 CN(C)CCNCc1ccsc1 270004a_100000210585_100000188534 [0,0,1,0,1,0|1,0,0]=3 294 B12R1.255 CN(C)CCNCc1cscn1 207a_100000210585_100000743575 [0,0,1,0,1,0|2,0,0]=4 295 B12R1.255 CN(C)CCNCc1cscn1 270004a_100000210585_100000743575 [0,0,1,0,1,0|2,0,0]=4 296 B12R1.255 CN(C)CCSCc1ccsc1 62a_100011261437_100000755713 [0,0,1,0,1,0|0,1,0]=3 297 B12R1.255 CN(C)CCSCc1cscn1 62a_100000205941_100000755713 [0,0,1,0,1,0|1,1,0]=4 298 B12R1.255 C[C@@H](N)CCOCc1ccsc1 34a_100000706166_100011261437 [0,0,1,0,1,0|2,0,0]=4 299 B12R1.255 C[C@@H](O)COCCc1ccsc1 34a_100000748821_100009817552 [0,0,1,0,1,0|2,0,0]=4 300 B12R2.144 CCNC1CCc2c1scc2 269862a_100015525214_100000080523 [1,0,0,0,1,0|2,0,0]=4 301 B12R2.1362 CN(C)C1CCn2c1ncc2 270004a_100102631434_100009824702 [0,0,0,0,2,0|2,0,0]=4 302 B14R1.422 CC(C)CCOCCc1ccccc1 34a_100000210254_100000765856 [0,0,1,0,0,1|2,0,0]=4 303 B14R1.422 CC(C)CCOCCc1ccccc1 34a_100000210268_100000210312 [0,0,1,0,0,1|2,0,0]=4 304 B14R1.422 CC(C)CCOCCc1ccccc1 7a_100000210254_100000765856 [0,0,1,0,0,1|2,0,0]=4 305 B14R1.422 CC(C)CCOCCc1ccccc1 7a_100000210268_100000210626 [0,0,1,0,0,1|2,0,0]=4 306 B14R1.422 CC(C)CCOCCc1ccccn1 34a_100000210271_100000210312 [0,0,1,0,0,1|2,0,0]=4 307 B14R1.422 CC(C)CCOCCc1ccccn1 7a_100000210254_100015183660 [0,0,1,0,0,1|2,0,0]=4 308 B14R1.422 CC(C)CCOCCc1cccnc1 34a_100011217484_100000210312 [0,0,1,0,0,1|2,0,0]=4 309 B14R1.422 CC(C)CCOCCc1cccnc1 7a_100000210254_200011713674 [0,0,1,0,0,1|2,0,0]=4 310 B14R1.422 CC(C)CCOCCc1ccncc1 34a_100011216225_100000210312 [0,0,1,0,0,1|2,0,0]=4 311 B14R1.422 CC(C)CCOCCc1ccncc1 7a_100000210254_100000723409 [0,0,1,0,0,1|2,0,0]=4 312 B14R1.422 CC(C)CCOCCc1cnccn1 34a_100011349526_100000210312 [0,0,1,0,0,1|2,0,0]=4 313 B14R1.422 CC(C)CCOCCc1cncnc1 34a_100011709255_100000210312 [0,0,1,0,0,1|2,0,0]=4 314 B14R1.422 CN(C)CCCCCc1ccccc1 2230a_100102631434_200011217138 [0,0,1,0,0,1|2,0,0]=4 315 B14R1.422 CN(C)CCCCCc1ccccc1 269982a_100102631434_200011217138 [0,0,1,0,0,1|2,0,0]=4 316 B14R1.422 CN(C)CCOCCc1ccccc1 7a_100000210268_100000755713 [0,0,1,0,0,1|1,0,0]=3 317 B14R1.422 CN(C)CCSCCc1ccccc1 62a_100000765856_100000755713 [0,0,1,0,0,1|1,1,0]=4 318 B14R1.422 CN(C)CCSCCc1ccccn1 62a_100015183660_100000755713 [0,0,1,0,0,1|1,1,0]=4 319 B14R1.422 CN(C)CCSCCc1cccnc1 62a_200011713674_100000755713 [0,0,1,0,0,1|1,1,0]=4 320 B14R1.422 CN(C)CCSCCc1ccncc1 62a_100000723409_100000755713 [0,0,1,0,0,1|1,1,0]=4 321 B14R1.427 C=C(C)CCOCCCc1ccsc1 34a_200000699776_100000730704 [0,0,1,0,0,1|1,0,1]=4 322 B14R1.427 C=C(C)CCOCCCc1ccsc1 7a_200000699776_100000730704 [0,0,1,0,0,1|1,0,1]=4 323 B14R1.427 CC(=CCCNCCc1ccsc1)C 2230a_100000692642_100011217483 [0,0,1,0,0,1|2,0,0]=4 324 B14R1.427 CC(=CCCNCCc1ccsc1)C 34a_100000692642_100011217483 [0,0,1,0,0,1|2,0,0]=4 325 B14R1.427 CC(=CCCOCC[n+]1ccsc1)C 34a_200000100414_100011217483 [0,0,1,0,0,1|2,0,0]=4 326 B14R1.427 CC(=CCCOCCc1ccsc1)C 34a_100000748821_100011217483 [0,0,1,0,0,1|1,0,0]=3 327 B14R1.427 CC(=CCOCCCc1ccsc1)C 34a_200000699776_100000761012 [0,0,1,0,0,1|1,0,1]=4 328 B14R1.427 CC(=CCOCCCc1ccsc1)C 7a_200000699776_100000761012 [0,0,1,0,0,1|1,0,1]=4 329 B14R1.427 CC(=O)CCCOCCc1ccsc1 34a_100000748821_100000685027 [0,0,1,0,0,1|2,0,0]=4 330 B14R1.427 CC(=O)CCOCCCc1ccsc1 7a_200000699776_100000053229 [0,0,1,0,0,1|2,0,0]=4 331 B14R1.427 CC(=O)OCCOCCc1ccsc1 34a_100000748821_100009814007 [0,0,1,0,0,1|2,0,0]=4 332 B14R1.427 CC(C)CCCCCOc1ccsc1 34a_100000106738_100000210682 [0,0,1,0,0,1|2,0,0]=4 333 B14R1.427 CC(C)CCCCCOc1ccsc1 7a_100000106738_100000210682 [0,0,1,0,0,1|2,0,0]=4 334 B14R1.427 CC(C)CCCCCSc1ccsc1 62a_100000210682_100000738268 [0,0,1,0,0,1|2,0,0]=4 335 B14R1.427 CC(C)CCCCCSc1ccsc1 62a_100000738268_100000210682 [0,0,1,0,0,1|2,0,0]=4 336 B14R1.427 CC(C)CCCCNCc1ccsc1 2230a_100000186416_100011216152 [0,0,1,0,0,1|2,0,0]=4 337 B14R1.427 CC(C)CCCCNCc1ccsc1 34a_100000186416_100011216152 [0,0,1,0,0,1|2,0,0]=4 338 B14R1.427 CC(C)CCCCOCc1ccsc1 34a_100011214890_100011261437 [0,0,1,0,0,1|2,0,0]=4 339 B14R1.427 CC(C)CCCCOCc1ccsc1 34a_100011215551_100011216152 [0,0,1,0,0,1|2,0,0]=4 340 B14R1.427 CC(C)CCCCOCc1ccsc1 7a_100011214890_100011261437 [0,0,1,0,0,1|2,0,0]=4 341 B14R1.427 CC(C)CCCCSCc1ccsc1 62a_100011216152_100011233845 [0,0,1,0,0,1|2,0,0]=4 342 B14R1.427 CC(C)CCCCSCc1ccsc1 62a_100011261437_100011216152 [0,0,1,0,0,1|2,0,0]=4 343 B14R1.427 CC(C)CCCNCCc1ccsc1 2230a_100000692642_100011214892 [0,0,1,0,0,1|2,0,0]=4 344 B14R1.427 CC(C)CCCNCCc1ccsc1 34a_100000692642_100011214892 [0,0,1,0,0,1|2,0,0]=4 345 B14R1.427 CC(C)CCCOCC[n+]1ccsc1 34a_200000100414_100011214892 [0,0,1,0,0,1|2,0,0]=4 346 B14R1.427 CC(C)CCCOCCc1ccsc1 34a_100000748821_100011214892 [0,0,1,0,0,1|1,0,0]=3 347 B14R1.427 CC(C)CCOCCCc1ccsc1 34a_200000699776_100000210312 [0,0,1,0,0,1|1,0,0]=3 348 B14R1.427 CC(C)CCOCCCc1ccsc1 7a_200000699776_100000210626 [0,0,1,0,0,1|1,0,0]=3 349 B14R1.427 CC(C)OCCNCCc1ccsc1 2230a_100000692642_100000211751 [0,0,1,0,0,1|2,0,0]=4 350 B14R1.427 CC(C)OCCNCCc1ccsc1 34a_100000692642_100000211751 [0,0,1,0,0,1|2,0,0]=4 351 B14R1.427 CC(C)OCCOCC[n+]1ccsc1 34a_200000100414_100000211751 [0,0,1,0,0,1|2,0,0]=4 352 B14R1.427 CC(C)OCCOCCc1ccsc1 34a_100000748821_100000211751 [0,0,1,0,0,1|1,0,0]=3 353 B14R1.427 CC(C)OCOCCCc1ccsc1 34a_200000699776_100000709892 [0,0,1,0,0,1|2,0,0]=4 354 B14R1.427 CC(C)SCCNCCc1ccsc1 2230a_100000692642_100000730970 [0,0,1,0,0,1|2,0,0]=4 355 B14R1.427 CC(C)SCCNCCc1ccsc1 34a_100000692642_100000730970 [0,0,1,0,0,1|2,0,0]=4 356 B14R1.427 CC(C)SCCOCC[n+]1ccsc1 34a_200000100414_100000730970 [0,0,1,0,0,1|2,0,0]=4 357 B14R1.427 CC(C)SCCOCCc1ccsc1 34a_100000748821_100000730970 [0,0,1,0,0,1|1,0,0]=3 358 B14R1.427 CC(O)CCCOCCc1ccsc1 34a_100000748821_200000718107 [0,0,1,0,0,1|2,0,0]=4 359 B14R1.427 CC(O)CCOCCCc1ccsc1 34a_200000699776_100012276601 [0,0,1,0,0,1|2,0,0]=4 360 B14R1.427 CC(O)CCOCCCc1ccsc1 7a_200000699776_100012276601 [0,0,1,0,0,1|2,0,0]=4 361 B14R1.427 CN(C)CCCCNCc1ccoc1 207a_100025707445_100011215517 [0,0,1,0,0,1|1,1,0]=4 362 B14R1.427 CN(C)CCCCNCc1ccsc1 207a_100025707445_100000188534 [0,0,1,0,0,1|1,0,0]=3 363 B14R1.427 CN(C)CCCCNCc1cscn1 207a_100025707445_100000743575 [0,0,1,0,0,1|2,0,0]=4 364 B14R1.427 CN(C)CCCCSCc1ccsc1 62a_100011261437_100000690147 [0,0,1,0,0,1|1,0,0]=3 365 B14R1.427 CN(C)CCCCSCc1cscn1 62a_100000205941_100000690147 [0,0,1,0,0,1|2,0,0]=4 366 B14R1.427 CN(C)CCCOCCc1cccs1 7a_100011216825_100000757444 [0,0,1,0,0,1|2,0,0]=4 367 B14R1.427 CN(C)CCOCCCc1cccs1 7a_100011713143_100000755713 [0,0,1,0,0,1|2,0,0]=4 368 B14R1.427 CN(C)CCOCCCc1ccsc1 7a_200000699776_100000755713 [0,0,1,0,0,1|0,0,0]=2 369 B14R1.427 CN(C)CCOCCCn1cccc1 7a_100000179399_100000755713 [0,0,1,0,0,1|2,0,0]=4 370 B14R1.498 CNCc1ccsc1SCCN(C)C 62a_100009817074_100000755713 [0,0,1,0,0,1|2,0,0]=4 371 B14R1.975 CCCC(NCC(C)C)c1cccs1 2230a_200015187693_100000210760 [0,0,1,0,0,1|2,0,0]=4 372 B14R1.975 CCCC(NCC(C)C)c1cccs1 269862a_100000210953_100011218182 [0,0,1,0,0,1|2,0,0]=4 373 B14R1.975 CCCC(NCC(C)C)c1cccs1 270004a_200015187693_100000210432 [0,0,1,0,0,1|2,0,0]=4 374 B14R1.975 CCCC(NCC(C)C)c1cccs1 34a_200015187693_100000210624 [0,0,1,0,0,1|2,0,0]=4 375 B14R1.849 CC(CN(C)C)Sc1sccc1CN 62a_100000727803_100020606517 [0,0,1,0,0,1|2,0,0]=4 376 B14R1.849 CC(CN(C)C)Sc1sccc1CN 62a_100020606517_100000727803 [0,0,1,0,0,1|2,0,0]=4 377 B14R1.849 CC(CN(C)C)Sc1sccc1CO 62a_100009816922_100020606517 [0,0,1,0,0,1|2,0,0]=4 378 B14R1.849 CC(CN(C)C)Sc1sccc1CO 62a_100020606517_100009816922 [0,0,1,0,0,1|2,0,0]=4 379 B14R1.849 CCc1ccsc1SC(C)CC(C)C 62a_100000731052_200009875468 [0,0,1,0,0,1|2,0,0]=4 380 B14R1.849 CCc1ccsc1SC(C)CC(C)C 62a_200009875468_100000731052 [0,0,1,0,0,1|2,0,0]=4 381 B14R1.849 CCc1ccsc1SC(C)CN(C)C 62a_100020606517_200009875468 [0,0,1,0,0,1|1,0,0]=3 382 B14R1.849 CCc1ccsc1SC(C)CN(C)C 62a_200009875468_100020606517 [0,0,1,0,0,1|1,0,0]=3 383 B14R2.7150 CNCC1OCCc2c1cccc2 2230a_100000755408_200000210301 [1,0,0,0,0,1|1,0,0]=3 384 B14R2.7150 CNCC1OCCc2c1cccc2 34a_100000755408_200000210301 [1,0,0,0,0,1|1,0,0]=3 385 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 2230a_100000755408_200025704644 [1,0,0,0,0,1|1,0,0]=3 386 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 34a_100000755408_200025704644 [1,0,0,0,0,1|1,0,0]=3 387 B16R2.27401 CN(C)CCNC1CCCc2c1occ2 269862a_100000210585_100009877200 [0,0,0,0,0,2|1,1,0]=4 388 B16R2.179941 CC(C)NCC1OCCc2c1cccc2 2230a_100000755408_100000210206 [0,0,0,0,0,2|2,0,0]=4 389 B16R2.179941 CC(C)NCC1OCCc2c1cccc2 34a_100000755408_100000210206 [0,0,0,0,0,2|2,0,0]=4