0 B14R2.510 CC=Cc1nn(c2c1cccc2)C 271570a_100016259895_100009817141 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.510 CCNC1CC(=O)c2c1cccc2 2230a_100015525214_100010208147 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.510 CCNC1OC(=O)c2c1cccc2 2230a_100015525214_100009813457 [0,0,0,0,0,0|1,0,1]=2 3 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100000210202_100010208147 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210202 [0,0,0,0,0,0|2,0,1]=3 5 B14R2.510 CCSC1OC(=O)c2c1cccc2 62a_100000210202_100009813457 [0,0,0,0,0,0|1,0,1]=2 6 B14R2.510 CCSc1nn(c2c1cccc2)C 62a_100000210202_100009817141 [0,0,0,0,0,0|4,0,0]=4 7 B14R2.510 CCSc1nn(c2c1cccc2)C 62a_100009817141_100000210202 [0,0,0,0,0,0|4,0,0]=4 8 B14R2.510 O=C1CC(c2c1cccc2)SCF 62a_100010208147_100015361967 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.510 O=C1CC(c2c1cccc2)SCF 62a_100015361967_100010208147 [0,0,0,0,0,0|3,0,1]=4 10 B14R2.510 O=C1OC(c2c1cccc2)SCF 62a_100015361967_100009813457 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.1 CC=Cc1coc2c1cccc2 271570a_100016259895_100009812202 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.1 CC=Cc1csc2c1cccc2 271570a_100016259895_100009813928 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.1 CC=Cc1n[nH]c2c1cccc2 271570a_100016259895_100000050141 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.1 CC=Cc1ncn2c1cccc2 271570a_100016259895_100000688344 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.1 CCOc1csc2c1cccc2 34a_100000077758_100000210202 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.1 CCOc1csc2c1cccc2 7a_100000077758_100000210202 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.1 CCSc1coc2c1cccc2 62a_100000210202_100009812202 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.1 CCSc1csc2c1cccc2 62a_100000210202_100009813928 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.1 CCSc1n[nH]c2c1cccc2 62a_100000210202_100000050141 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.1 CCSc1ncn2c1cccc2 62a_100000210202_100010892795 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.1 CCSc1noc2c1cccc2 62a_100000210202_200000703156 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.1 CCSc1noc2c1cccc2 62a_200000703156_100000210202 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.2931 CCn1nc(c2c1cccc2)O 271570a_203496583355_200010288290 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.2931 CNC1CC(=O)c2c1cccc2 2230a_106832991635_100010208147 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.2931 CNC1CC(=O)c2c1cccc2 7a_106832991635_100010208147 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [1,0,0,0,0,0|1,0,1]=3 27 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_100010208147_200000210301 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_200000210301_100010208147 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [1,0,0,0,0,0|1,0,1]=3 30 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_100010208147_200025704644 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_200025704644_100010208147 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [1,0,0,0,0,0|1,0,1]=3 33 B15R2.1428 C#CCSC1OC(=O)c2c1cccc2 62a_100000038162_100009813457 [0,1,0,0,0,0|1,0,2]=4 34 B15R2.1428 C=CCNC1OC(=O)c2c1cccc2 2230a_100020586998_100009813457 [0,1,0,0,0,0|1,0,2]=4 35 B15R2.1428 C=CCSC1OC(=O)c2c1cccc2 62a_100000210623_100009813457 [0,1,0,0,0,0|1,0,2]=4 36 B15R2.1428 CCCSC1CC(=O)c2c1cccc2 62a_100000210303_100010208147 [0,1,0,0,0,0|1,0,2]=4 37 B15R2.1428 CCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210303 [0,1,0,0,0,0|1,0,2]=4 38 B15R2.1428 CCCSC1OC(=O)c2c1cccc2 62a_100000210303_100009813457 [0,1,0,0,0,0|0,0,2]=3 39 B15R2.1428 COCSC1CC(=O)c2c1cccc2 62a_100000766300_100010208147 [0,1,0,0,0,0|2,0,1]=4 40 B15R2.1428 COCSC1CC(=O)c2c1cccc2 62a_100010208147_100000766300 [0,1,0,0,0,0|2,0,1]=4 41 B15R2.1428 COCSC1OC(=O)c2c1cccc2 62a_100000766300_100009813457 [0,1,0,0,0,0|1,0,1]=3 42 B15R2.1428 CSCSC1CC(=O)c2c1cccc2 62a_100010208147_100011218213 [0,1,0,0,0,0|2,0,1]=4 43 B15R2.1428 CSCSC1CC(=O)c2c1cccc2 62a_100011218213_100010208147 [0,1,0,0,0,0|2,0,1]=4 44 B15R2.1428 CSCSC1OC(=O)c2c1cccc2 62a_100011218213_100009813457 [0,1,0,0,0,0|1,0,1]=3 45 B15R2.1428 N#CCSC1OC(=O)c2c1cccc2 62a_100011215382_100009813457 [0,1,0,0,0,0|1,0,2]=4 46 B15R2.1428 O=C1CC(c2c1cccc2)NCCO 2230a_100016997473_100010208147 [0,1,0,0,0,0|2,0,1]=4 47 B15R2.1428 O=C1CC(c2c1cccc2)SCCF 62a_100010208147_100011217306 [0,1,0,0,0,0|2,0,1]=4 48 B15R2.1428 O=C1CC(c2c1cccc2)SCCF 62a_100011217306_100010208147 [0,1,0,0,0,0|2,0,1]=4 49 B15R2.1428 O=C1CC(c2c1cccc2)SCCO 62a_100000211926_100010208147 [0,1,0,0,0,0|2,0,1]=4 50 B15R2.1428 O=C1CC(c2c1cccc2)SCCO 62a_100010208147_100000211926 [0,1,0,0,0,0|2,0,1]=4 51 B15R2.1428 O=C1OC(c2c1cccc2)NCCO 2230a_100016997473_100009813457 [0,1,0,0,0,0|1,0,1]=3 52 B15R2.1428 O=C1OC(c2c1cccc2)SCCF 62a_100011217306_100009813457 [0,1,0,0,0,0|1,0,1]=3 53 B15R2.1428 O=C1OC(c2c1cccc2)SCCO 62a_100000211926_100009813457 [0,1,0,0,0,0|1,0,1]=3 54 B15R2.1428 O=CCSC1OC(=O)c2c1cccc2 62a_200015260668_100009813457 [0,1,0,0,0,0|1,0,2]=4 55 B15R2.23388 CCC(=O)C1CC(=O)c2c1cccc2 1458a_100000210414_100010208147 [0,1,0,0,0,0|1,0,1]=3 56 B15R2.23388 CCN(C)C1CC(=O)c2c1cccc2 2230a_100000225621_100010208147 [0,1,0,0,0,0|2,0,1]=4 57 B15R2.23388 CCN(C)C1CC(=O)c2c1cccc2 269982a_100000225621_100010208147 [0,1,0,0,0,0|2,0,1]=4 58 B15R2.23388 CCN(C)C1OC(=O)c2c1cccc2 2230a_100000225621_100009813457 [0,1,0,0,0,0|1,0,1]=3 59 B15R2.23388 CCN(C)C1OC(=O)c2c1cccc2 269982a_100000225621_100009813457 [0,1,0,0,0,0|1,0,1]=3 60 B15R2.23388 O=C1CC(c2c1cccc2)C(=O)CO 1458a_100000210174_100010208147 [0,1,0,0,0,0|2,0,1]=4 61 B15R2.53147 CC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_200000210301 [0,1,0,0,0,0|0,0,1]=2 62 B15R2.53147 CC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_200000210301 [0,1,0,0,0,0|0,0,3]=4 63 B15R2.53147 CC(C)NC1CC(=O)c2c1cccc2 2230a_100138425928_100010208147 [0,1,0,0,0,0|2,0,1]=4 64 B15R2.53147 CC(C)NC1OC(=O)c2c1cccc2 2230a_100138425928_100009813457 [0,1,0,0,0,0|1,0,1]=3 65 B15R2.53147 CC(C)SC1CC(=O)c2c1cccc2 62a_100000210206_100010208147 [0,1,0,0,0,0|2,0,1]=4 66 B15R2.53147 CC(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100000210206 [0,1,0,0,0,0|2,0,1]=4 67 B15R2.53147 CC(C)SC1OC(=O)c2c1cccc2 62a_100000210206_100009813457 [0,1,0,0,0,0|1,0,1]=3 68 B15R2.53147 [13CH3]C(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_200025704644 [0,1,0,0,0,0|0,0,1]=2 69 B15R2.53147 [13CH3]C(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_200025704644 [0,1,0,0,0,0|0,0,3]=4 70 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [0,0,1,0,0,0|1,0,0]=2 71 B13R1.24 CC/C=C\CN(C)c1ccccc1 2230a_100000210012_100103147603 [0,0,1,0,0,0|3,0,0]=4 72 B13R1.24 CC/C=C\CN(C)c1ccccc1 269982a_100000210012_100103147603 [0,0,1,0,0,0|3,0,0]=4 73 B13R1.24 CC/C=C\CN(C)c1ccccc1 34a_100000210012_100103147603 [0,0,1,0,0,0|3,0,0]=4 74 B13R1.24 CCC#CCC(=O)c1ccccc1 1458a_100000185807_100009813939 [0,0,1,0,0,0|1,0,2]=4 75 B13R1.24 CCC=NNC(=O)c1ccccc1 4a_100000184135_100000210100 [0,0,1,0,0,0|2,0,0]=3 76 B13R1.24 CCC=NNC(=O)c1ccccn1 4a_100000184044_100000210100 [0,0,1,0,0,0|3,0,0]=4 77 B13R1.24 CCC=NNC(=O)c1cccnc1 4a_100000189771_100000210100 [0,0,1,0,0,0|3,0,0]=4 78 B13R1.24 CCC=NNC(=O)c1ccncc1 4a_100000189768_100000210100 [0,0,1,0,0,0|3,0,0]=4 79 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [0,0,1,0,0,0|1,0,2]=4 80 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [0,0,1,0,0,0|1,0,2]=4 81 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [0,0,1,0,0,0|1,0,2]=4 82 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [0,0,1,0,0,0|1,0,2]=4 83 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [0,0,1,0,0,0|1,0,2]=4 84 B13R1.24 CCCNNC(=O)c1ccccc1 22a_100000740057_100000185807 [0,0,1,0,0,0|2,0,1]=4 85 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [0,0,1,0,0,0|2,0,1]=4 86 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [0,0,1,0,0,0|2,0,1]=4 87 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [0,0,1,0,0,0|2,0,1]=4 88 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [0,0,1,0,0,0|2,0,1]=4 89 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [0,0,1,0,0,0|2,0,1]=4 90 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [0,0,1,0,0,0|2,0,1]=4 91 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [0,0,1,0,0,0|2,0,1]=4 92 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000073877_100000210202 [0,0,1,0,0,0|1,0,1]=3 93 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000210202_100000073877 [0,0,1,0,0,0|1,0,1]=3 94 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [0,0,1,0,0,0|1,0,2]=4 95 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [0,0,1,0,0,0|1,0,2]=4 96 B13R1.24 COCCOC(=O)c1ccccc1 34a_100138415774_100009812718 [0,0,1,0,0,0|1,0,2]=4 97 B13R1.24 COCCOC(=O)c1ccccc1 7a_100000025465_200000210301 [0,0,1,0,0,0|1,0,2]=4 98 B13R1.24 CSCCOC(=O)c1ccccc1 62a_100009812718_200000210301 [0,0,1,0,0,0|1,0,2]=4 99 B13R1.24 CSCCOC(=O)c1ccccc1 62a_200000210301_100009812718 [0,0,1,0,0,0|1,0,2]=4 100 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100000073877_100015361967 [0,0,1,0,0,0|2,0,1]=4 101 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100015361967_100000073877 [0,0,1,0,0,0|2,0,1]=4 102 B13R1.24 [13CH3]OCCOC(=O)c1ccccc1 7a_100000025465_200025704644 [0,0,1,0,0,0|1,0,2]=4 103 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_100009812718_200025704644 [0,0,1,0,0,0|1,0,2]=4 104 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_200025704644_100009812718 [0,0,1,0,0,0|1,0,2]=4 105 B13R1.398 CCCN(CC=O)c1ccccc1 2230a_200011218496_200015260668 [0,0,1,0,0,0|2,0,1]=4 106 B13R1.398 CCCN(CC=O)c1ccccc1 269982a_200011218496_200015260668 [0,0,1,0,0,0|2,0,1]=4 107 B13R1.398 CCCN(CC=O)c1ccccc1 34a_200011218496_200009817547 [0,0,1,0,0,0|2,0,1]=4 108 B13R1.464 C=Cc1ccccc1C(=O)CCC 1458a_100011830265_100000210303 [0,0,1,0,0,0|1,0,2]=4 109 B13R1.464 C=Cc1ccccc1C(=O)NCC 271570a_100011290941_200000155173 [0,0,1,0,0,0|2,0,1]=4 110 B13R1.464 C=Cc1ccccc1C(=O)OCC 271570a_100011290941_100000169879 [0,0,1,0,0,0|2,0,1]=4 111 B13R1.464 CCCC(=O)c1ccccc1I=O 1458a_100000032414_100000210303 [0,0,1,0,0,0|1,0,2]=4 112 B13R1.464 CCNC(=O)c1ccccc1I=O 240690a_100015525214_100000032414 [0,0,1,0,0,0|2,0,1]=4 113 B13R1.464 CCNC(=O)c1ccccc1I=O 527a_100015525214_100000032414 [0,0,1,0,0,0|2,0,1]=4 114 B13R1.572 CCCCc1ccccc1C(=O)C 271570a_100020621405_100000751169 [0,0,1,0,0,0|1,0,2]=4 115 B13R1.572 CCCCc1ccccc1C(=O)N 271570a_100020621405_100000162227 [0,0,1,0,0,0|1,0,2]=4 116 B13R1.572 CCCNc1ccccc1C(=O)N 34a_100000185089_100000210303 [0,0,1,0,0,0|2,0,1]=4 117 B13R1.572 CCCOc1ccccc1C(=O)C 1458a_100000215688_200000210301 [0,0,1,0,0,0|2,0,1]=4 118 B13R1.572 CCCOc1ccccc1C(=O)N 34a_100000192804_100000210303 [0,0,1,0,0,0|2,0,1]=4 119 B13R1.572 CCCOc1ccccc1C(=O)N 7a_100000192804_100000210303 [0,0,1,0,0,0|2,0,1]=4 120 B13R1.572 CCCOc1ccccc1C(=O)[13CH3] 1458a_100000215688_200025704644 [0,0,1,0,0,0|2,0,1]=4 121 B13R1.572 CCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210303 [0,0,1,0,0,0|1,0,2]=4 122 B13R1.572 CCCSc1ccccc1C(=O)C 1458a_100000217225_200000210301 [0,0,1,0,0,0|2,0,1]=4 123 B13R1.572 CCCSc1ccccc1C(=O)C 62a_100000751169_100000210303 [0,0,1,0,0,0|2,0,1]=4 124 B13R1.572 CCCSc1ccccc1C(=O)N 62a_100000162227_100000210303 [0,0,1,0,0,0|2,0,1]=4 125 B13R1.572 CCCSc1ccccc1C(=O)N 62a_100000210303_100000162227 [0,0,1,0,0,0|2,0,1]=4 126 B13R1.572 CCCSc1ccccc1C(=O)O 62a_100000210303_100000734275 [0,0,1,0,0,0|1,0,1]=3 127 B13R1.572 CCCSc1ccccc1C(=O)O 62a_202125556159_100000210303 [0,0,1,0,0,0|1,0,1]=3 128 B13R1.572 CCCSc1ccccc1C(=O)[13CH3] 1458a_100000217225_200025704644 [0,0,1,0,0,0|2,0,1]=4 129 B13R1.572 CCNCc1ccccc1C(=O)O 269956a_100015183376_100000210202 [0,0,1,0,0,0|1,0,1]=3 130 B13R1.572 CC[Hg]Sc1ccccc1C(=O)C 1458a_100000046266_200000210301 [0,0,1,0,0,0|3,0,0]=4 131 B13R1.572 CC[Hg]Sc1ccccc1C(=O)[13CH3] 1458a_100000046266_200025704644 [0,0,1,0,0,0|3,0,0]=4 132 B13R1.572 COCSc1ccccc1C(=O)O 62a_100000766300_100000734275 [0,0,1,0,0,0|2,0,1]=4 133 B13R1.572 COCSc1ccccc1C(=O)O 62a_202125556159_100000766300 [0,0,1,0,0,0|2,0,1]=4 134 B13R1.572 CSCSc1ccccc1C(=O)O 62a_100011218213_100000734275 [0,0,1,0,0,0|2,0,1]=4 135 B13R1.572 CSCSc1ccccc1C(=O)O 62a_202125556159_100011218213 [0,0,1,0,0,0|2,0,1]=4 136 B13R1.572 O=C(O)c1ccccc1CNCF 269956a_100015183376_100015361967 [0,0,1,0,0,0|2,0,1]=4 137 B13R1.572 O=C(O)c1ccccc1SCCF 62a_100011217306_100000734275 [0,0,1,0,0,0|2,0,1]=4 138 B13R1.572 O=C(O)c1ccccc1SCCF 62a_202125556159_100011217306 [0,0,1,0,0,0|2,0,1]=4 139 B13R1.572 O=C(O)c1ccccc1SCCO 62a_100000211926_100000734275 [0,0,1,0,0,0|2,0,1]=4 140 B13R1.572 O=C(O)c1ccccc1SCCO 62a_202125556159_100000211926 [0,0,1,0,0,0|2,0,1]=4 141 B15R2.886 C=C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100015277604_100000090176 [0,0,0,0,0,1|1,0,2]=4 142 B15R2.886 CC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016259895_100000090176 [0,0,0,0,0,1|1,0,1]=3 143 B15R2.886 CC=Cc1cc(=O)n2ccccc2n1 271570a_100016259895_100000707704 [0,0,0,0,0,1|2,0,1]=4 144 B15R2.886 CC=Cc1cc(c2ccccc2c1)N 271570a_100016259895_100010171453 [0,0,0,0,0,1|2,0,1]=4 145 B15R2.886 CC=Cc1cc(c2ccccc2c1)O 271570a_100016259895_100010089979 [0,0,0,0,0,1|1,0,2]=4 146 B15R2.886 CC=Cc1cc(c2ccccc2n1)C 271570a_100016259895_100012354972 [0,0,0,0,0,1|2,0,1]=4 147 B15R2.886 CC=Cc1cc(c2ccccc2n1)N 271570a_100016259895_100010197925 [0,0,0,0,0,1|2,0,1]=4 148 B15R2.886 CC=Cc1cc2ccccc2c(n1)N 271570a_100016259895_100009957331 [0,0,0,0,0,1|2,0,1]=4 149 B15R2.886 CC=Cc1nc(c2ccccc2n1)C 271570a_100016259895_100000046098 [0,0,0,0,0,1|2,0,1]=4 150 B15R2.886 CCNc1cc(=O)n2ccccc2n1 27a_100015525214_100000707704 [0,0,0,0,0,1|3,0,0]=4 151 B15R2.886 CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210202 [0,0,0,0,0,1|3,0,0]=4 152 B15R2.886 CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210202 [0,0,0,0,0,1|3,0,0]=4 153 B15R2.886 CCNc1cc(c2ccccc2n1)C 27a_100015525214_100000184993 [0,0,0,0,0,1|3,0,0]=4 154 B15R2.886 CCNc1nc(c2ccccc2n1)C 27a_100015525214_100000046098 [0,0,0,0,0,1|3,0,0]=4 155 B15R2.886 CCNc1nc(c2ccccc2n1)N 27a_100015525214_100000690328 [0,0,0,0,0,1|3,0,0]=4 156 B15R2.886 CCNc1nc(c2ccccc2n1)O 27a_100015525214_100000187174 [0,0,0,0,0,1|2,0,1]=4 157 B15R2.886 CCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210202 [0,0,0,0,0,1|3,0,0]=4 158 B15R2.886 CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210202 [0,0,0,0,0,1|3,0,0]=4 159 B15R2.886 CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210202 [0,0,0,0,0,1|3,0,0]=4 160 B15R2.886 CCSc1cc(=O)c2ccccc2[nH]1 62a_100000210202_100000090176 [0,0,0,0,0,1|2,0,0]=3 161 B15R2.886 CCSc1cc(=O)n2ccccc2n1 62a_100000210202_100000707704 [0,0,0,0,0,1|3,0,0]=4 162 B15R2.886 CCSc1cc(c2ccccc2c1)N 62a_100000210202_100010171453 [0,0,0,0,0,1|3,0,0]=4 163 B15R2.886 CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210202 [0,0,0,0,0,1|3,0,0]=4 164 B15R2.886 CCSc1cc(c2ccccc2c1)O 62a_100000210202_100010089979 [0,0,0,0,0,1|2,0,1]=4 165 B15R2.886 CCSc1cc(c2ccccc2n1)C 62a_100000210202_100000184993 [0,0,0,0,0,1|3,0,0]=4 166 B15R2.886 CCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210202 [0,0,0,0,0,1|3,0,0]=4 167 B15R2.886 CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210202 [0,0,0,0,0,1|3,0,0]=4 168 B15R2.886 CCSc1cc2ccccc2c(=O)[nH]1 62a_100000210202_200015811170 [0,0,0,0,0,1|2,0,0]=3 169 B15R2.886 CCSc1cc2ccccc2c(n1)N 62a_100000210202_100009957331 [0,0,0,0,0,1|3,0,0]=4 170 B15R2.886 CCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210202 [0,0,0,0,0,1|3,0,0]=4 171 B15R2.886 CCSc1nc(c2ccccc2n1)C 62a_100000046098_100000210202 [0,0,0,0,0,1|3,0,0]=4 172 B15R2.886 CCSc1nc(c2ccccc2n1)C 62a_100000210202_100000046098 [0,0,0,0,0,1|3,0,0]=4 173 B15R2.886 CCSc1nc(c2ccccc2n1)N 62a_100000690328_100000210202 [0,0,0,0,0,1|3,0,0]=4 174 B15R2.886 CCSc1nc(c2ccccc2n1)O 271570a_203496583355_200010777449 [0,0,0,0,0,1|2,0,1]=4 175 B15R2.886 CCSc1nc(c2ccccc2n1)O 62a_100000210202_100000187174 [0,0,0,0,0,1|2,0,1]=4 176 B15R2.886 CNCc1nc2ccccc2c(=O)[nH]1 2230a_106832991635_100000182789 [0,0,0,0,0,1|2,0,1]=4 177 B15R2.886 CNCc1nc2ccccc2c(=O)[nH]1 7a_106832991635_100000182789 [0,0,0,0,0,1|2,0,1]=4 178 B15R2.886 O=c1[nH]c(cc2c1cccc2)SCF 62a_100015361967_200015811170 [0,0,0,0,0,1|3,0,0]=4 179 B15R2.886 O=c1cc([nH]c2c1cccc2)SCF 62a_100015361967_100000090176 [0,0,0,0,0,1|3,0,0]=4 180 B15R2.4382 C=C=Cc1n[nH]c(=O)c2c1cccc2 271570a_100015277604_100010235092 [0,0,0,0,0,1|1,0,2]=4 181 B15R2.4382 CC=Cc1c[nH]c(=O)c2c1ccnc2 271570a_100016259895_100010090797 [0,0,0,0,0,1|2,0,1]=4 182 B15R2.4382 CC=Cc1ccc(c2c1cccc2)Br 271570a_100016259895_100012339872 [0,0,0,0,0,1|2,0,1]=4 183 B15R2.4382 CC=Cc1ccc(c2c1cccc2)C 271570a_100016259895_100011215156 [0,0,0,0,0,1|2,0,1]=4 184 B15R2.4382 CC=Cc1ccc(c2c1cccc2)F 271570a_100016259895_100011218216 [0,0,0,0,0,1|2,0,1]=4 185 B15R2.4382 CC=Cc1ccc(c2c1cccc2)N 271570a_100016259895_100000766797 [0,0,0,0,0,1|2,0,1]=4 186 B15R2.4382 CC=Cc1ccc(c2c1cccc2)O 271570a_100016259895_100000186334 [0,0,0,0,0,1|1,0,2]=4 187 B15R2.4382 CC=Cc1cnc(c2c1cccc2)C 271570a_100016259895_100010239772 [0,0,0,0,0,1|2,0,1]=4 188 B15R2.4382 CC=Cc1cnc(c2c1cccc2)N 271570a_100016259895_100010158575 [0,0,0,0,0,1|2,0,1]=4 189 B15R2.4382 CC=Cc1cnc(c2c1cccc2)O 271570a_100016259895_100009816523 [0,0,0,0,0,1|1,0,2]=4 190 B15R2.4382 CC=Cc1n[nH]c(=O)c2c1cccc2 271570a_100016259895_100010235092 [0,0,0,0,0,1|1,0,1]=3 191 B15R2.4382 CC=Cc1n[nH]c(=O)c2c1cccn2 271570a_100016259895_100021647086 [0,0,0,0,0,1|2,0,1]=4 192 B15R2.4382 CC=Cc1n[nH]c(=O)c2c1nccc2 271570a_100016259895_200021304518 [0,0,0,0,0,1|2,0,1]=4 193 B15R2.4382 CC=Cc1ncc(c2c1cccc2)C 271570a_100016259895_100000112005 [0,0,0,0,0,1|2,0,1]=4 194 B15R2.4382 CC=Cc1ncc(c2c1cccc2)N 271570a_100016259895_200009868590 [0,0,0,0,0,1|2,0,1]=4 195 B15R2.4382 CC=Cc1ncc(c2c1cccc2)O 271570a_100016259895_100000067196 [0,0,0,0,0,1|1,0,2]=4 196 B15R2.4382 CC=Cc1nnc(c2c1cccc2)C 271570a_100016259895_100000189618 [0,0,0,0,0,1|2,0,1]=4 197 B15R2.4382 CCNc1ccc(c2c1cccc2)Br 34a_100000766797_100000210202 [0,0,0,0,0,1|3,0,0]=4 198 B15R2.4382 CCNc1ccc(c2c1cccc2)Cl 34a_100011216319_100000210202 [0,0,0,0,0,1|3,0,0]=4 199 B15R2.4382 CCNc1ccc(c2c1cccc2)F 34a_100011988692_100000210202 [0,0,0,0,0,1|3,0,0]=4 200 B15R2.4382 CCNc1ccc(c2c1cccc2)O 34a_100000705857_100000210202 [0,0,0,0,0,1|2,0,1]=4 201 B15R2.4382 CCNc1n[nH]c(=O)c2c1cccn2 27a_100015525214_100021647086 [0,0,0,0,0,1|3,0,0]=4 202 B15R2.4382 CCNc1n[nH]c(=O)c2c1nccc2 27a_100015525214_200021304518 [0,0,0,0,0,1|3,0,0]=4 203 B15R2.4382 CCNc1ncc(c2c1cccc2)C 27a_100015525214_100000112005 [0,0,0,0,0,1|3,0,0]=4 204 B15R2.4382 CCNc1nnc(c2c1cccc2)C 27a_100015525214_100000189618 [0,0,0,0,0,1|3,0,0]=4 205 B15R2.4382 CCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000210202 [0,0,0,0,0,1|2,0,1]=4 206 B15R2.4382 CCOc1ccc(c2c1cccc2)Br 34a_100000186334_100000210202 [0,0,0,0,0,1|3,0,0]=4 207 B15R2.4382 CCOc1ccc(c2c1cccc2)Br 7a_100000186334_100000210202 [0,0,0,0,0,1|3,0,0]=4 208 B15R2.4382 CCOc1ccc(c2c1cccc2)C 34a_100000074455_100000210202 [0,0,0,0,0,1|3,0,0]=4 209 B15R2.4382 CCOc1ccc(c2c1cccc2)C 7a_100000074455_100000210202 [0,0,0,0,0,1|3,0,0]=4 210 B15R2.4382 CCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100000210202 [0,0,0,0,0,1|3,0,0]=4 211 B15R2.4382 CCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100000210202 [0,0,0,0,0,1|3,0,0]=4 212 B15R2.4382 CCOc1ccc(c2c1cccc2)F 34a_100000100223_100000210202 [0,0,0,0,0,1|3,0,0]=4 213 B15R2.4382 CCOc1ccc(c2c1cccc2)F 7a_100000100223_100000210202 [0,0,0,0,0,1|3,0,0]=4 214 B15R2.4382 CCOc1ccc(c2c1cccc2)N 34a_100000705857_100000210202 [0,0,0,0,0,1|3,0,0]=4 215 B15R2.4382 CCOc1ccc(c2c1cccc2)N 7a_100000705857_100000210202 [0,0,0,0,0,1|3,0,0]=4 216 B15R2.4382 CCOc1cnc(c2c1cccc2)Cl 34a_100000067196_100000210202 [0,0,0,0,0,1|3,0,0]=4 217 B15R2.4382 CCOc1cnc(c2c1cccc2)Cl 7a_100000067196_100000210202 [0,0,0,0,0,1|3,0,0]=4 218 B15R2.4382 CCOc1nnc(c2c1cccc2)C 34a_100000183092_100000210202 [0,0,0,0,0,1|3,0,0]=4 219 B15R2.4382 CCSc1c[nH]c(=O)c2c1ccnc2 62a_100000210202_100010090797 [0,0,0,0,0,1|3,0,0]=4 220 B15R2.4382 CCSc1c[nH]c(=O)c2c1nccc2 62a_100000210202_100009998689 [0,0,0,0,0,1|3,0,0]=4 221 B15R2.4382 CCSc1ccc(c2c1cccc2)Br 62a_100000210202_100012339872 [0,0,0,0,0,1|3,0,0]=4 222 B15R2.4382 CCSc1ccc(c2c1cccc2)Br 62a_100012339872_100000210202 [0,0,0,0,0,1|3,0,0]=4 223 B15R2.4382 CCSc1ccc(c2c1cccc2)C 62a_100000210202_100011215156 [0,0,0,0,0,1|3,0,0]=4 224 B15R2.4382 CCSc1ccc(c2c1cccc2)C 62a_100011215156_100000210202 [0,0,0,0,0,1|3,0,0]=4 225 B15R2.4382 CCSc1ccc(c2c1cccc2)F 62a_100000210202_100011218216 [0,0,0,0,0,1|3,0,0]=4 226 B15R2.4382 CCSc1ccc(c2c1cccc2)F 62a_100011218216_100000210202 [0,0,0,0,0,1|3,0,0]=4 227 B15R2.4382 CCSc1ccc(c2c1cccc2)N 62a_100000766797_100000210202 [0,0,0,0,0,1|3,0,0]=4 228 B15R2.4382 CCSc1ccc(c2c1cccc2)O 62a_100000210202_100000186334 [0,0,0,0,0,1|2,0,1]=4 229 B15R2.4382 CCSc1cnc(c2c1cccc2)C 62a_100000210202_100010239772 [0,0,0,0,0,1|3,0,0]=4 230 B15R2.4382 CCSc1cnc(c2c1cccc2)C 62a_100010239772_100000210202 [0,0,0,0,0,1|3,0,0]=4 231 B15R2.4382 CCSc1cnc(c2c1cccc2)N 62a_100000210202_100010158575 [0,0,0,0,0,1|3,0,0]=4 232 B15R2.4382 CCSc1cnc(c2c1cccc2)N 62a_100010158575_100000210202 [0,0,0,0,0,1|3,0,0]=4 233 B15R2.4382 CCSc1cnc(c2c1cccc2)O 62a_100000210202_100009816523 [0,0,0,0,0,1|2,0,1]=4 234 B15R2.4382 CCSc1n[nH]c(=O)c2c1cccc2 62a_100000210202_100010235092 [0,0,0,0,0,1|2,0,0]=3 235 B15R2.4382 CCSc1n[nH]c(=O)c2c1cccn2 62a_100000210202_100021647086 [0,0,0,0,0,1|3,0,0]=4 236 B15R2.4382 CCSc1n[nH]c(=O)c2c1nccc2 62a_100000210202_200021304518 [0,0,0,0,0,1|3,0,0]=4 237 B15R2.4382 CCSc1ncc(c2c1cccc2)C 62a_100000210202_100000112005 [0,0,0,0,0,1|3,0,0]=4 238 B15R2.4382 CCSc1ncc(c2c1cccc2)N 62a_100000210202_200009868590 [0,0,0,0,0,1|3,0,0]=4 239 B15R2.4382 CCSc1ncc(c2c1cccc2)O 62a_100000210202_100000067196 [0,0,0,0,0,1|2,0,1]=4 240 B15R2.4382 CCSc1nnc(c2c1cccc2)C 62a_100000210202_100000189618 [0,0,0,0,0,1|3,0,0]=4 241 B15R2.4382 CNCc1c[nH]c(=O)c2c1cccc2 270004a_106832991635_100009868339 [0,0,0,0,0,1|2,0,1]=4 242 B15R2.4382 O=c1[nH]nc(c2c1cccc2)SCF 62a_100015361967_100010235092 [0,0,0,0,0,1|3,0,0]=4 243 B15R2.4392 C=C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100015277604_100000075698 [0,0,0,0,0,1|1,0,2]=4 244 B15R2.4392 CC=Cc1cc(=O)[nH]c2c1cccc2 271570a_100016259895_100000075698 [0,0,0,0,0,1|1,0,1]=3 245 B15R2.4392 CC=Cc1cc(=O)[nH]c2c1cccn2 271570a_100016259895_100010499609 [0,0,0,0,0,1|2,0,1]=4 246 B15R2.4392 CC=Cc1cc(cc2c1cccc2)N 271570a_100016259895_100010089974 [0,0,0,0,0,1|2,0,1]=4 247 B15R2.4392 CC=Cc1cc(cc2c1cccc2)O 271570a_100016259895_100010001680 [0,0,0,0,0,1|1,0,2]=4 248 B15R2.4392 CC=Cc1cc(nc2c1cccc2)C 271570a_100016259895_100000764982 [0,0,0,0,0,1|2,0,1]=4 249 B15R2.4392 CC=Cc1nc(cc2c1cccc2)C 271570a_100016259895_100000698243 [0,0,0,0,0,1|2,0,1]=4 250 B15R2.4392 CC=Cc1nc(cc2c1cccc2)N 271570a_100016259895_100009814382 [0,0,0,0,0,1|2,0,1]=4 251 B15R2.4392 CC=Cc1nc(nc2c1cccc2)C 271570a_100016259895_100000230251 [0,0,0,0,0,1|2,0,1]=4 252 B15R2.4392 CCNc1cc(=O)[nH]c2c1cccc2 27a_100015525214_100000075698 [0,0,0,0,0,1|2,0,0]=3 253 B15R2.4392 CCNc1cc(=O)[nH]c2c1cccn2 27a_100015525214_100010499609 [0,0,0,0,0,1|3,0,0]=4 254 B15R2.4392 CCNc1cc(cc2c1cccc2)Br 34a_100010171453_100000210202 [0,0,0,0,0,1|3,0,0]=4 255 B15R2.4392 CCNc1cc(nc2c1cccc2)C 27a_100015525214_100000735862 [0,0,0,0,0,1|3,0,0]=4 256 B15R2.4392 CCNc1nc(cc2c1cccc2)C 27a_100015525214_100000698243 [0,0,0,0,0,1|3,0,0]=4 257 B15R2.4392 CCNc1nc(nc2c1cccc2)C 27a_100015525214_100000230251 [0,0,0,0,0,1|3,0,0]=4 258 B15R2.4392 CCOc1cc(cc2c1cccc2)Br 34a_100010089979_100000210202 [0,0,0,0,0,1|3,0,0]=4 259 B15R2.4392 CCOc1cc(cc2c1cccc2)Br 7a_100010089979_100000210202 [0,0,0,0,0,1|3,0,0]=4 260 B15R2.4392 CCOc1cc(nc2c1cccc2)C 34a_100000698765_100000210202 [0,0,0,0,0,1|3,0,0]=4 261 B15R2.4392 CCSc1cc(=O)[nH]c2c1cccc2 62a_100000210202_100000075698 [0,0,0,0,0,1|2,0,0]=3 262 B15R2.4392 CCSc1cc(=O)[nH]c2c1cccn2 62a_100000210202_100010499609 [0,0,0,0,0,1|3,0,0]=4 263 B15R2.4392 CCSc1cc(cc2c1cccc2)N 62a_100000210202_100010089974 [0,0,0,0,0,1|3,0,0]=4 264 B15R2.4392 CCSc1cc(cc2c1cccc2)N 62a_100010089974_100000210202 [0,0,0,0,0,1|3,0,0]=4 265 B15R2.4392 CCSc1cc(cc2c1cccc2)O 62a_100000210202_100010001680 [0,0,0,0,0,1|2,0,1]=4 266 B15R2.4392 CCSc1cc(nc2c1cccc2)C 62a_100000210202_100000735862 [0,0,0,0,0,1|3,0,0]=4 267 B15R2.4392 CCSc1cc(nc2c1cccc2)C 62a_100000764982_100000210202 [0,0,0,0,0,1|3,0,0]=4 268 B15R2.4392 CCSc1nc(cc2c1cccc2)C 62a_100000210202_100000698243 [0,0,0,0,0,1|3,0,0]=4 269 B15R2.4392 CCSc1nc(cc2c1cccc2)N 62a_100000210202_100009814382 [0,0,0,0,0,1|3,0,0]=4 270 B15R2.4392 CCSc1nc(cc2c1cccc2)N 62a_100009814382_100000210202 [0,0,0,0,0,1|3,0,0]=4 271 B15R2.4392 CCSc1nc(nc2c1cccc2)C 62a_100000210202_100000230251 [0,0,0,0,0,1|3,0,0]=4 272 B15R2.4392 CCSc1nc(nc2c1cccc2)C 62a_100000230251_100000210202 [0,0,0,0,0,1|3,0,0]=4 273 B15R2.4392 O=c1cc(c2ccccc2[nH]1)SCF 62a_100015361967_100000075698 [0,0,0,0,0,1|3,0,0]=4 274 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [1,0,1,0,0,0|2,0,0]=4 275 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [1,0,1,0,0,0|2,0,0]=4 276 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [1,0,1,0,0,0|2,0,0]=4 277 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [1,0,1,0,0,0|2,0,0]=4 278 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [1,0,1,0,0,0|2,0,0]=4 279 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [1,0,1,0,0,0|1,0,0]=3 280 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [1,0,1,0,0,0|1,0,0]=3 281 B12R1.30 CC=NNC(=O)c1ccccc1 4a_100000184135_200000210099 [1,0,1,0,0,0|2,0,0]=4 282 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [1,0,1,0,0,0|0,0,2]=4 283 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [1,0,1,0,0,0|1,0,1]=4 284 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [1,0,1,0,0,0|1,0,1]=4 285 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [1,0,1,0,0,0|1,0,1]=4 286 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [1,0,1,0,0,0|1,0,1]=4 287 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [1,0,1,0,0,0|2,0,0]=4 288 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [1,0,1,0,0,0|1,0,1]=4 289 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [1,0,1,0,0,0|1,0,1]=4 290 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [1,0,1,0,0,0|1,0,1]=4 291 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [1,0,1,0,0,0|1,0,1]=4 292 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [1,0,1,0,0,0|1,0,1]=4 293 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [1,0,1,0,0,0|1,0,1]=4 294 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [1,0,1,0,0,0|1,0,1]=4 295 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [1,0,1,0,0,0|2,0,0]=4 296 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [1,0,1,0,0,0|2,0,0]=4 297 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [1,0,1,0,0,0|2,0,0]=4 298 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [1,0,1,0,0,0|1,0,1]=4 299 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [1,0,1,0,0,0|1,0,1]=4 300 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [1,0,1,0,0,0|0,0,2]=4 301 B12R1.121 CCCSc1ccccc1C=O 62a_100000210073_100000210303 [1,0,1,0,0,0|1,0,1]=4 302 B12R1.121 CCCSc1ccccc1C=O 62a_100000210303_100000210073 [1,0,1,0,0,0|1,0,1]=4 303 B12R1.121 CCNCc1ccccc1C=O 2230a_100015525214_200009853537 [1,0,1,0,0,0|1,0,1]=4 304 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [1,0,1,0,0,0|1,0,1]=4 305 B12R1.121 CCSCc1ccccc1C=O 62a_100000210202_200009853537 [1,0,1,0,0,0|1,0,1]=4 306 B12R1.121 CCSCc1ccccc1C=O 62a_200009853537_100000210202 [1,0,1,0,0,0|1,0,1]=4 307 B12R1.283 CC=Cc1ccccc1B(O)O 271570a_100016259895_100000693059 [1,0,1,0,0,0|1,0,1]=4 308 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [1,0,1,0,0,0|1,0,0]=3 309 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [1,0,1,0,0,0|1,0,0]=3 310 B12R1.283 CC=Cc1ccccc1C(C)O 271570a_100016259895_100000702211 [1,0,1,0,0,0|1,0,1]=4 311 B12R1.283 CC=Cc1ccccc1S(=O)C 271570a_100016259895_100000734199 [1,0,1,0,0,0|2,0,0]=4 312 B12R1.283 CC=Cc1cccnc1C(=O)C 271570a_100016259895_100012348690 [1,0,1,0,0,0|2,0,0]=4 313 B12R1.283 CC=Cc1cccnc1C(=O)N 271570a_100016259895_200012359670 [1,0,1,0,0,0|2,0,0]=4 314 B12R1.283 CC=Cc1ccncc1C(=O)C 271570a_100016259895_100160469449 [1,0,1,0,0,0|2,0,0]=4 315 B12R1.283 CC=Cc1ccncc1C(=O)N 271570a_100016259895_100000697804 [1,0,1,0,0,0|2,0,0]=4 316 B12R1.283 CC=Cc1cnccc1C(=O)C 271570a_100016259895_100009993184 [1,0,1,0,0,0|2,0,0]=4 317 B12R1.283 CC=Cc1cnccc1C(=O)N 271570a_100016259895_100010205435 [1,0,1,0,0,0|2,0,0]=4 318 B12R1.283 CC=Cc1ncccc1C(=O)C 271570a_100016259895_100000753718 [1,0,1,0,0,0|2,0,0]=4 319 B12R1.283 CC=Cc1ncccc1C(=O)N 271570a_100016259895_100000162199 [1,0,1,0,0,0|2,0,0]=4 320 B12R1.283 CCNc1ccccc1C(=O)N 34a_100000185089_100000210202 [1,0,1,0,0,0|2,0,0]=4 321 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [1,0,1,0,0,0|2,0,0]=4 322 B12R1.283 CCOc1ccccc1C(=O)N 34a_100000192804_100000210202 [1,0,1,0,0,0|2,0,0]=4 323 B12R1.283 CCOc1ccccc1C(=O)N 7a_100000192804_100000210202 [1,0,1,0,0,0|2,0,0]=4 324 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [1,0,1,0,0,0|2,0,0]=4 325 B12R1.283 CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210202 [1,0,1,0,0,0|1,0,1]=4 326 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [1,0,1,0,0,0|2,0,0]=4 327 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [1,0,1,0,0,0|2,0,0]=4 328 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000162227_100000210202 [1,0,1,0,0,0|2,0,0]=4 329 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000210202_100000162227 [1,0,1,0,0,0|2,0,0]=4 330 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [1,0,1,0,0,0|1,0,0]=3 331 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [1,0,1,0,0,0|1,0,0]=3 332 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [1,0,1,0,0,0|2,0,0]=4 333 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [1,0,1,0,0,0|1,0,1]=4 334 B12R1.283 O=C(O)c1ccccc1SCF 62a_100015361967_100000734275 [1,0,1,0,0,0|2,0,0]=4 335 B12R1.283 O=C(O)c1ccccc1SCF 62a_202125556159_100015361967 [1,0,1,0,0,0|2,0,0]=4 336 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [1,0,1,0,0,0|1,0,1]=4 337 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)Br 1458a_100000185839_100103147603 [0,1,1,0,0,0|1,0,0]=3 338 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)C 1458a_100000188618_100103147603 [0,1,1,0,0,0|1,0,0]=3 339 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100103147603 [0,1,1,0,0,0|1,0,0]=3 340 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)F 1458a_100000187176_100103147603 [0,1,1,0,0,0|1,0,0]=3 341 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)I 1458a_100000187904_100103147603 [0,1,1,0,0,0|1,0,0]=3 342 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)O 1458a_100000212099_100103147603 [0,1,1,0,0,0|1,0,0]=3 343 B14R1.19 CCC=NNC(=O)c1ccc(cc1)Br 4a_100000183614_100000210100 [0,1,1,0,0,0|2,0,0]=4 344 B14R1.19 CCC=NNC(=O)c1ccc(cc1)C 4a_100000189790_100000210100 [0,1,1,0,0,0|2,0,0]=4 345 B14R1.19 CCC=NNC(=O)c1ccc(cc1)Cl 4a_100000184390_100000210100 [0,1,1,0,0,0|2,0,0]=4 346 B14R1.19 CCC=NNC(=O)c1ccc(cc1)F 4a_100000182866_100000210100 [0,1,1,0,0,0|2,0,0]=4 347 B14R1.19 CCC=NNC(=O)c1ccc(cc1)I 4a_100000189773_100000210100 [0,1,1,0,0,0|2,0,0]=4 348 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)Br 1458a_100000210664_100103147603 [0,1,1,0,0,0|1,0,0]=3 349 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)C 1458a_100000189346_100103147603 [0,1,1,0,0,0|1,0,0]=3 350 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)Cl 1458a_100000210390_100103147603 [0,1,1,0,0,0|1,0,0]=3 351 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)F 1458a_100000210950_100103147603 [0,1,1,0,0,0|1,0,0]=3 352 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)I 1458a_100000184098_100103147603 [0,1,1,0,0,0|1,0,0]=3 353 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)O 1458a_100000183914_100103147603 [0,1,1,0,0,0|1,0,0]=3 354 B14R1.20 CCC=NNC(=O)c1cccc(c1)Br 4a_100000189783_100000210100 [0,1,1,0,0,0|2,0,0]=4 355 B14R1.20 CCC=NNC(=O)c1cccc(c1)C 4a_100000189845_100000210100 [0,1,1,0,0,0|2,0,0]=4 356 B14R1.20 CCC=NNC(=O)c1cccc(c1)Cl 4a_100000183659_100000210100 [0,1,1,0,0,0|2,0,0]=4 357 B14R1.20 CCC=NNC(=O)c1cccc(c1)F 4a_100000189798_100000210100 [0,1,1,0,0,0|2,0,0]=4 358 B14R1.20 CCC=NNC(=O)c1cccc(c1)I 4a_100000186306_100000210100 [0,1,1,0,0,0|2,0,0]=4 359 B14R1.29 CC=CC(=O)CC(=O)c1ccccc1 1458a_100000210699_100000211460 [0,1,1,0,0,0|1,0,1]=4 360 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747444 [0,1,1,0,0,0|1,0,1]=4 361 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000211992_100000211460 [0,1,1,0,0,0|1,0,1]=4 362 B14R1.29 CCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183381 [0,1,1,0,0,0|2,0,0]=4 363 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000188475 [0,1,1,0,0,0|2,0,0]=4 364 B14R1.38 CC/C=C\CCC(=O)c1ccccc1 1458a_100000185807_100015370543 [0,1,1,0,0,0|1,0,0]=3 365 B14R1.38 CC/C=C\COC(C)c1ccccc1 34a_100016268518_100000211855 [0,1,1,0,0,0|1,0,1]=4 366 B14R1.38 CC/C=C\CO[C@H](C)c1ccccc1 34a_100000761318_100103147603 [0,1,1,0,0,0|1,0,1]=4 367 B14R1.38 CC/C=C\CO[C@H](C)c1ccccc1 7a_100000761318_100103147603 [0,1,1,0,0,0|1,0,1]=4 368 B14R1.38 CCCC=NNC(=O)c1ccccc1 4a_100000184135_100000185831 [0,1,1,0,0,0|1,0,1]=4 369 B14R1.38 CCCCOCC(=O)c1ccccc1 1458a_100000185807_100011995733 [0,1,1,0,0,0|0,0,2]=4 370 B14R1.38 CCCCOCC(=O)c1ccccc1 7a_100000210227_100000211460 [0,1,1,0,0,0|0,0,2]=4 371 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000073877_100000210303 [0,1,1,0,0,0|0,0,2]=4 372 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000210303_100000073877 [0,1,1,0,0,0|0,0,2]=4 373 B14R1.38 CCOCCOC(=O)c1ccccc1 34a_100121572206_100009812718 [0,1,1,0,0,0|0,0,2]=4 374 B14R1.38 CCOCCOC(=O)c1ccccc1 7a_100000025465_100000210202 [0,1,1,0,0,0|0,0,2]=4 375 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100000210202_100009812718 [0,1,1,0,0,0|0,0,2]=4 376 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100009812718_100000210202 [0,1,1,0,0,0|0,0,2]=4 377 B14R1.38 CNCCCOC(=O)c1ccccc1 34a_100102657272_200009892979 [0,1,1,0,0,0|0,0,2]=4 378 B14R1.38 CNCCCOC(=O)c1ccccc1 7a_106832991635_200009892979 [0,1,1,0,0,0|0,0,2]=4 379 B14R1.38 COCCCOC(=O)c1ccccc1 34a_100138415774_200009892979 [0,1,1,0,0,0|0,0,2]=4 380 B14R1.38 COCSCOC(=O)c1ccccc1 62a_100000073877_100000766300 [0,1,1,0,0,0|1,0,1]=4 381 B14R1.38 COCSCOC(=O)c1ccccc1 62a_100000766300_100000073877 [0,1,1,0,0,0|1,0,1]=4 382 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200000210301_200009892979 [0,1,1,0,0,0|0,0,2]=4 383 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200009892979_200000210301 [0,1,1,0,0,0|0,0,2]=4 384 B14R1.38 CSCSCOC(=O)c1ccccc1 62a_100000073877_100011218213 [0,1,1,0,0,0|1,0,1]=4 385 B14R1.38 CSCSCOC(=O)c1ccccc1 62a_100011218213_100000073877 [0,1,1,0,0,0|1,0,1]=4 386 B14R1.38 O=C(OCSCCF)c1ccccc1 62a_100000073877_100011217306 [0,1,1,0,0,0|1,0,1]=4 387 B14R1.38 O=C(OCSCCF)c1ccccc1 62a_100011217306_100000073877 [0,1,1,0,0,0|1,0,1]=4 388 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000073877_100000211926 [0,1,1,0,0,0|1,0,1]=4 389 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000211926_100000073877 [0,1,1,0,0,0|1,0,1]=4 390 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200009892979_200025704644 [0,1,1,0,0,0|0,0,2]=4 391 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200025704644_200009892979 [0,1,1,0,0,0|0,0,2]=4 392 B14R1.163 CCC(=O)CCC(=O)c1ccccc1 1458a_100000210414_100000750707 [0,1,1,0,0,0|1,0,1]=4 393 B14R1.163 CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210202 [0,1,1,0,0,0|1,0,1]=4 394 B14R1.163 CCC(=O)COC(=O)c1ccccc1 1458a_100000210414_100000073877 [0,1,1,0,0,0|0,0,1]=3 395 B14R1.163 CCC(=O)NNC(=O)c1ccccc1 22a_100000183195_100000185807 [0,1,1,0,0,0|2,0,0]=4 396 B14R1.163 CCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210414 [0,1,1,0,0,0|2,0,0]=4 397 B14R1.163 CCN(C)COC(=O)c1ccccc1 269982a_100000225621_100000073877 [0,1,1,0,0,0|1,0,1]=4 398 B14R1.163 O=C(CO)COC(=O)c1ccccc1 1458a_100000210174_100000073877 [0,1,1,0,0,0|1,0,1]=4 399 B14R1.420 CC(C)C=NNC(=O)c1ccccc1 4a_100000184135_100000210432 [0,1,1,0,0,0|2,0,0]=4 400 B14R1.420 CC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000210206 [0,1,1,0,0,0|1,0,1]=4 401 B14R1.420 CC(C)SCOC(=O)c1ccccc1 62a_100000210206_100000073877 [0,1,1,0,0,0|1,0,1]=4 402 B14R1.1035 CC/C=C\CC(=O)c1ccccc1Br 1458a_100000188424_100103147603 [0,1,1,0,0,0|1,0,0]=3 403 B14R1.1035 CC/C=C\CC(=O)c1ccccc1C 1458a_100000212026_100103147603 [0,1,1,0,0,0|1,0,0]=3 404 B14R1.1035 CC/C=C\CC(=O)c1ccccc1Cl 1458a_100000185844_100103147603 [0,1,1,0,0,0|1,0,0]=3 405 B14R1.1035 CC/C=C\CC(=O)c1ccccc1F 1458a_100000188656_100103147603 [0,1,1,0,0,0|1,0,0]=3 406 B14R1.1035 CC/C=C\CC(=O)c1ccccc1I 1458a_100000187884_100103147603 [0,1,1,0,0,0|1,0,0]=3 407 B14R1.1035 CC/C=C\CC(=O)c1ccccc1O 1458a_100015234032_100103147603 [0,1,1,0,0,0|1,0,0]=3 408 B14R1.1035 CC/C=C\CC(=O)c1ccccc1[O-] 1458a_100009911694_100103147603 [0,1,1,0,0,0|1,0,0]=3 409 B14R1.1035 CCC=NNC(=O)c1ccccc1Br 4a_100000183644_100000210100 [0,1,1,0,0,0|2,0,0]=4 410 B14R1.1035 CCC=NNC(=O)c1ccccc1C 4a_100000181371_100000210100 [0,1,1,0,0,0|2,0,0]=4 411 B14R1.1035 CCC=NNC(=O)c1ccccc1Cl 4a_100000186534_100000210100 [0,1,1,0,0,0|2,0,0]=4 412 B14R1.1035 CCC=NNC(=O)c1ccccc1F 4a_100000183521_100000210100 [0,1,1,0,0,0|2,0,0]=4 413 B14R1.1035 CCC=NNC(=O)c1ccccc1I 4a_100000190081_100000210100 [0,1,1,0,0,0|2,0,0]=4 414 B14R1.171 CCCC(OCC=O)c1ccccc1 34a_100000747916_200009817547 [0,1,1,0,0,0|0,0,2]=4 415 B14R1.171 CCCC(OCC=O)c1ccccc1 7a_100000747916_200015260668 [0,1,1,0,0,0|0,0,2]=4 416 B14R1.67 CCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210303 [0,1,1,0,0,0|1,0,1]=4 417 B14R1.789 CCCCc1ccccc1C(=O)OC 271570a_100020621405_100000148710 [0,1,1,0,0,0|0,0,2]=4 418 B14R1.789 CCCOc1ccccc1C(=O)NO 34a_100000188472_100000210303 [0,1,1,0,0,0|1,0,1]=4 419 B14R1.789 CCCOc1ccccc1C(=O)OC 7a_100000150335_100000210303 [0,1,1,0,0,0|1,0,1]=4 420 B14R1.789 CCCSc1ccccc1C(=O)OC 62a_100000148710_100000210303 [0,1,1,0,0,0|1,0,1]=4 421 B14R1.789 CCCSc1ccccc1C(=O)OC 62a_100000210303_100000148710 [0,1,1,0,0,0|1,0,1]=4 422 B14R1.789 CCCSc1ccccc1C(=O)O[Na] 62a_100000210303_114855342371 [0,1,1,0,0,0|1,0,1]=4 423 B14R1.789 CCNCc1ccccc1C(=O)OC 2230a_100015525214_100000744672 [0,1,1,0,0,0|1,0,1]=4 424 B14R1.789 CCOCc1ccccc1C(=O)OC 34a_100121572206_100000744672 [0,1,1,0,0,0|1,0,1]=4 425 B14R1.789 CCSCc1ccccc1C(=O)OC 62a_100000210202_100000744672 [0,1,1,0,0,0|1,0,1]=4 426 B14R1.789 CCSCc1ccccc1C(=O)OC 62a_100000744672_100000210202 [0,1,1,0,0,0|1,0,1]=4 427 B14R1.903 C/C=C/CSc1ccccc1C(=O)O 62a_100102629194_100000734275 [0,1,1,0,0,0|0,0,2]=4 428 B14R1.903 C/C=C/CSc1ccccc1C(=O)O 62a_202125556159_100102629194 [0,1,1,0,0,0|0,0,2]=4 429 B14R1.903 CC=CCSc1ccccc1C(=O)O 62a_100000070051_100000734275 [0,1,1,0,0,0|0,0,2]=4 430 B14R1.903 CC=CCSc1ccccc1C(=O)O 62a_202125556159_100000070051 [0,1,1,0,0,0|0,0,2]=4 431 B14R1.903 CCCC=Cc1ccccc1B(O)O 271570a_100016258520_100000693059 [0,1,1,0,0,0|1,0,1]=4 432 B14R1.903 CCCC=Cc1ccccc1C(=O)C 271570a_100016258520_100000751169 [0,1,1,0,0,0|1,0,0]=3 433 B14R1.903 CCCC=Cc1ccccc1C(=O)N 271570a_100016258520_100000162227 [0,1,1,0,0,0|1,0,0]=3 434 B14R1.903 CCCC=Cc1ccccc1C(C)O 271570a_100016258520_100000702211 [0,1,1,0,0,0|1,0,1]=4 435 B14R1.903 CCCC=Cc1ccccc1S(=O)C 271570a_100016258520_100000734199 [0,1,1,0,0,0|2,0,0]=4 436 B14R1.903 CCCC=Cc1cccnc1C(=O)C 271570a_100016258520_100012348690 [0,1,1,0,0,0|2,0,0]=4 437 B14R1.903 CCCC=Cc1cccnc1C(=O)N 271570a_100016258520_200012359670 [0,1,1,0,0,0|2,0,0]=4 438 B14R1.903 CCCC=Cc1ccncc1C(=O)C 271570a_100016258520_100160469449 [0,1,1,0,0,0|2,0,0]=4 439 B14R1.903 CCCC=Cc1ccncc1C(=O)N 271570a_100016258520_100000697804 [0,1,1,0,0,0|2,0,0]=4 440 B14R1.903 CCCC=Cc1cnccc1C(=O)C 271570a_100016258520_100009993184 [0,1,1,0,0,0|2,0,0]=4 441 B14R1.903 CCCC=Cc1cnccc1C(=O)N 271570a_100016258520_100010205435 [0,1,1,0,0,0|2,0,0]=4 442 B14R1.903 CCCC=Cc1ncccc1C(=O)C 271570a_100016258520_100000753718 [0,1,1,0,0,0|2,0,0]=4 443 B14R1.903 CCCC=Cc1ncccc1C(=O)N 271570a_100016258520_100000162199 [0,1,1,0,0,0|2,0,0]=4 444 B14R1.903 CCCCSc1ccccc1C(=O)O 62a_100000210211_100000734275 [0,1,1,0,0,0|0,0,2]=4 445 B14R1.903 CCCCSc1ccccc1C(=O)O 62a_202125556159_100000210210 [0,1,1,0,0,0|0,0,2]=4 446 B14R1.903 CCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210207 [0,1,1,0,0,0|0,0,2]=4 447 B14R1.903 CCOC=Cc1ccccc1B(O)O 271570a_100016256518_100000693059 [0,1,1,0,0,0|1,0,1]=4 448 B14R1.903 CCOC=Cc1ccccc1C(=O)C 271570a_100016256518_100000751169 [0,1,1,0,0,0|1,0,0]=3 449 B14R1.903 CCOC=Cc1ccccc1C(=O)N 271570a_100016256518_100000162227 [0,1,1,0,0,0|1,0,0]=3 450 B14R1.903 CCOC=Cc1ccccc1C(C)O 271570a_100016256518_100000702211 [0,1,1,0,0,0|1,0,1]=4 451 B14R1.903 CCOC=Cc1ccccc1S(=O)C 271570a_100016256518_100000734199 [0,1,1,0,0,0|2,0,0]=4 452 B14R1.903 CCOC=Cc1cccnc1C(=O)C 271570a_100016256518_100012348690 [0,1,1,0,0,0|2,0,0]=4 453 B14R1.903 CCOC=Cc1cccnc1C(=O)N 271570a_100016256518_200012359670 [0,1,1,0,0,0|2,0,0]=4 454 B14R1.903 CCOC=Cc1ccncc1C(=O)C 271570a_100016256518_100160469449 [0,1,1,0,0,0|2,0,0]=4 455 B14R1.903 CCOC=Cc1ccncc1C(=O)N 271570a_100016256518_100000697804 [0,1,1,0,0,0|2,0,0]=4 456 B14R1.903 CCOC=Cc1cnccc1C(=O)C 271570a_100016256518_100009993184 [0,1,1,0,0,0|2,0,0]=4 457 B14R1.903 CCOC=Cc1cnccc1C(=O)N 271570a_100016256518_100010205435 [0,1,1,0,0,0|2,0,0]=4 458 B14R1.903 CCOC=Cc1ncccc1C(=O)C 271570a_100016256518_100000753718 [0,1,1,0,0,0|2,0,0]=4 459 B14R1.903 CCOC=Cc1ncccc1C(=O)N 271570a_100016256518_100000162199 [0,1,1,0,0,0|2,0,0]=4 460 B14R1.903 CCOCSc1ccccc1C(=O)O 62a_100000739092_100000734275 [0,1,1,0,0,0|1,0,1]=4 461 B14R1.903 CCOCSc1ccccc1C(=O)O 62a_202125556159_100000739092 [0,1,1,0,0,0|1,0,1]=4 462 B14R1.903 COCC=Cc1ccccc1B(O)O 271570a_100016286323_100000693059 [0,1,1,0,0,0|1,0,1]=4 463 B14R1.903 COCC=Cc1ccccc1C(=O)C 271570a_100016286323_100000751169 [0,1,1,0,0,0|1,0,0]=3 464 B14R1.903 COCC=Cc1ccccc1C(=O)N 271570a_100016286323_100000162227 [0,1,1,0,0,0|1,0,0]=3 465 B14R1.903 COCC=Cc1ccccc1C(C)O 271570a_100016286323_100000702211 [0,1,1,0,0,0|1,0,1]=4 466 B14R1.903 COCC=Cc1ccccc1S(=O)C 271570a_100016286323_100000734199 [0,1,1,0,0,0|2,0,0]=4 467 B14R1.903 COCC=Cc1cccnc1C(=O)C 271570a_100016286323_100012348690 [0,1,1,0,0,0|2,0,0]=4 468 B14R1.903 COCC=Cc1cccnc1C(=O)N 271570a_100016286323_200012359670 [0,1,1,0,0,0|2,0,0]=4 469 B14R1.903 COCC=Cc1ccncc1C(=O)C 271570a_100016286323_100160469449 [0,1,1,0,0,0|2,0,0]=4 470 B14R1.903 COCC=Cc1ccncc1C(=O)N 271570a_100016286323_100000697804 [0,1,1,0,0,0|2,0,0]=4 471 B14R1.903 COCC=Cc1cnccc1C(=O)C 271570a_100016286323_100009993184 [0,1,1,0,0,0|2,0,0]=4 472 B14R1.903 COCC=Cc1cnccc1C(=O)N 271570a_100016286323_100010205435 [0,1,1,0,0,0|2,0,0]=4 473 B14R1.903 COCC=Cc1ncccc1C(=O)C 271570a_100016286323_100000753718 [0,1,1,0,0,0|2,0,0]=4 474 B14R1.903 COCC=Cc1ncccc1C(=O)N 271570a_100016286323_100000162199 [0,1,1,0,0,0|2,0,0]=4 475 B14R1.903 COCCSc1ccccc1C(=O)O 62a_100000233755_100000734275 [0,1,1,0,0,0|1,0,1]=4 476 B14R1.903 COCCSc1ccccc1C(=O)O 62a_202125556159_100000233755 [0,1,1,0,0,0|1,0,1]=4 477 B14R1.903 COCNCc1ccccc1C(=O)O 269956a_100015183376_100000766300 [0,1,1,0,0,0|1,0,1]=4 478 B14R1.903 CSCCSc1ccccc1C(=O)O 62a_100000212216_100000734275 [0,1,1,0,0,0|1,0,1]=4 479 B14R1.903 CSCCSc1ccccc1C(=O)O 62a_202125556159_100000751147 [0,1,1,0,0,0|1,0,1]=4 480 B14R1.903 CSCNCc1ccccc1C(=O)O 269956a_100015183376_100011218213 [0,1,1,0,0,0|1,0,1]=4 481 B14R1.903 O=C(O)c1ccccc1CNCCF 269956a_100015183376_100011217306 [0,1,1,0,0,0|1,0,1]=4 482 B14R1.903 O=C(O)c1ccccc1CNCCO 269956a_100015183376_100000211926 [0,1,1,0,0,0|1,0,1]=4 483 B14R1.903 O=C(O)c1ccccc1SCCCF 62a_100011934791_100000734275 [0,1,1,0,0,0|1,0,1]=4 484 B14R1.903 O=C(O)c1ccccc1SCCCF 62a_202125556159_100011934791 [0,1,1,0,0,0|1,0,1]=4 485 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_100011215043_100000734275 [0,1,1,0,0,0|1,0,1]=4 486 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_202125556159_100011215043 [0,1,1,0,0,0|1,0,1]=4 487 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)C 1458a_100000194446_200000210301 [0,1,1,0,0,0|2,0,0]=4 488 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210414 [0,1,1,0,0,0|2,0,0]=4 489 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210414 [0,1,1,0,0,0|2,0,0]=4 490 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210414 [0,1,1,0,0,0|2,0,0]=4 491 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000194446_200025704644 [0,1,1,0,0,0|2,0,0]=4 492 B14R1.3302 CCC(C)Sc1ccccc1C(=O)O 62a_100000758301_100000734275 [0,1,1,0,0,0|1,0,1]=4 493 B14R1.3302 CCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000758301 [0,1,1,0,0,0|1,0,1]=4 494 B14R1.4522 CC(=O)c1ccccc1C=CC(C)C 271570a_100016257149_100000751169 [0,1,1,0,0,0|1,0,0]=3 495 B14R1.4522 CC(=O)c1ccccc1C=CC(C)O 271570a_200011019289_100000751169 [0,1,1,0,0,0|1,0,0]=3 496 B14R1.4522 CC(=O)c1cccnc1C=CC(C)C 271570a_100016257149_100000753718 [0,1,1,0,0,0|2,0,0]=4 497 B14R1.4522 CC(=O)c1cccnc1C=CC(C)O 271570a_200011019289_100000753718 [0,1,1,0,0,0|2,0,0]=4 498 B14R1.4522 CC(=O)c1ccncc1C=CC(C)C 271570a_100016257149_100009993184 [0,1,1,0,0,0|2,0,0]=4 499 B14R1.4522 CC(=O)c1ccncc1C=CC(C)O 271570a_200011019289_100009993184 [0,1,1,0,0,0|2,0,0]=4 500 B14R1.4522 CC(=O)c1cnccc1C=CC(C)C 271570a_100016257149_100160469449 [0,1,1,0,0,0|2,0,0]=4 501 B14R1.4522 CC(=O)c1cnccc1C=CC(C)O 271570a_200011019289_100160469449 [0,1,1,0,0,0|2,0,0]=4 502 B14R1.4522 CC(=O)c1ncccc1C=CC(C)C 271570a_100016257149_100012348690 [0,1,1,0,0,0|2,0,0]=4 503 B14R1.4522 CC(=O)c1ncccc1C=CC(C)O 271570a_200011019289_100012348690 [0,1,1,0,0,0|2,0,0]=4 504 B14R1.4522 CC(C)C=Cc1ccccc1B(O)O 271570a_100016257149_100000693059 [0,1,1,0,0,0|1,0,1]=4 505 B14R1.4522 CC(C)C=Cc1ccccc1C(=O)N 271570a_100016257149_100000162227 [0,1,1,0,0,0|1,0,0]=3 506 B14R1.4522 CC(C)C=Cc1ccccc1C(C)O 271570a_100016257149_100000702211 [0,1,1,0,0,0|1,0,1]=4 507 B14R1.4522 CC(C)C=Cc1ccccc1S(=O)C 271570a_100016257149_100000734199 [0,1,1,0,0,0|2,0,0]=4 508 B14R1.4522 CC(C)C=Cc1cccnc1C(=O)N 271570a_100016257149_200012359670 [0,1,1,0,0,0|2,0,0]=4 509 B14R1.4522 CC(C)C=Cc1ccncc1C(=O)N 271570a_100016257149_100000697804 [0,1,1,0,0,0|2,0,0]=4 510 B14R1.4522 CC(C)C=Cc1cnccc1C(=O)N 271570a_100016257149_100010205435 [0,1,1,0,0,0|2,0,0]=4 511 B14R1.4522 CC(C)C=Cc1ncccc1C(=O)N 271570a_100016257149_100000162199 [0,1,1,0,0,0|2,0,0]=4 512 B14R1.4522 CC(C)CSc1ccccc1C(=O)O 62a_100000210624_100000734275 [0,1,1,0,0,0|1,0,1]=4 513 B14R1.4522 CC(C)CSc1ccccc1C(=O)O 62a_202125556159_100000210760 [0,1,1,0,0,0|1,0,1]=4 514 B14R1.4522 CC(C)NCc1ccccc1C(=O)O 269956a_100015183376_100000210206 [0,1,1,0,0,0|1,0,1]=4 515 B14R1.4522 CC(O)C=Cc1ccccc1B(O)O 271570a_200011019289_100000693059 [0,1,1,0,0,0|1,0,1]=4 516 B14R1.4522 CC(O)C=Cc1ccccc1C(=O)N 271570a_200011019289_100000162227 [0,1,1,0,0,0|1,0,0]=3 517 B14R1.4522 CC(O)C=Cc1ccccc1C(C)O 271570a_200011019289_100000702211 [0,1,1,0,0,0|1,0,1]=4 518 B14R1.4522 CC(O)C=Cc1ccccc1S(=O)C 271570a_200011019289_100000734199 [0,1,1,0,0,0|2,0,0]=4 519 B14R1.4522 CC(O)C=Cc1cccnc1C(=O)N 271570a_200011019289_200012359670 [0,1,1,0,0,0|2,0,0]=4 520 B14R1.4522 CC(O)C=Cc1ccncc1C(=O)N 271570a_200011019289_100000697804 [0,1,1,0,0,0|2,0,0]=4 521 B14R1.4522 CC(O)C=Cc1cnccc1C(=O)N 271570a_200011019289_100010205435 [0,1,1,0,0,0|2,0,0]=4 522 B14R1.4522 CC(O)C=Cc1ncccc1C(=O)N 271570a_200011019289_100000162199 [0,1,1,0,0,0|2,0,0]=4 523 B14R1.4522 CC(O)CSc1ccccc1C(=O)O 62a_100011218427_100000734275 [0,1,1,0,0,0|1,0,1]=4 524 B14R1.4522 CC(O)CSc1ccccc1C(=O)O 62a_202125556159_100011218427 [0,1,1,0,0,0|1,0,1]=4 525 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)O 62a_100009817552_100000734275 [0,1,1,0,0,0|1,0,1]=4 526 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)O 62a_202125556159_100009817552 [0,1,1,0,0,0|1,0,1]=4 527 B14R2.95 CCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210202 [1,1,0,0,0,0|1,0,1]=4 528 B14R2.95 CCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210202 [1,1,0,0,0,0|1,0,1]=4 529 B14R2.25733 CC(=O)C1CC(=O)c2c1cccc2 1458a_100000070787_100010208147 [1,1,0,0,0,0|1,0,1]=4 530 B14R2.25733 CN(C)C1OC(=O)c2c1cccc2 2230a_100102631434_100009813457 [1,1,0,0,0,0|1,0,1]=4 531 B14R2.25733 CN(C)C1OC(=O)c2c1cccc2 269982a_100102631434_100009813457 [1,1,0,0,0,0|1,0,1]=4 532 B16R2.1054 CCCCc1cc(=O)c2ccccc2[nH]1 271570a_100020621405_100000090176 [0,1,0,0,0,1|1,0,1]=4 533 B16R2.1054 CCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210303_100000090176 [0,1,0,0,0,1|1,0,1]=4 534 B16R2.1054 CCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210303_200015811170 [0,1,0,0,0,1|1,0,1]=4 535 B16R2.1054 CCNCc1nc2ccccc2c(=O)[nH]1 2230a_100015525214_100000182789 [0,1,0,0,0,1|1,0,1]=4 536 B16R2.1054 COCSc1cc(=O)c2ccccc2[nH]1 62a_100000766300_100000090176 [0,1,0,0,0,1|2,0,0]=4 537 B16R2.1054 COCSc1cc2ccccc2c(=O)[nH]1 62a_100000766300_200015811170 [0,1,0,0,0,1|2,0,0]=4 538 B16R2.1054 CSCSc1cc(=O)c2ccccc2[nH]1 62a_100011218213_100000090176 [0,1,0,0,0,1|2,0,0]=4 539 B16R2.1054 CSCSc1cc2ccccc2c(=O)[nH]1 62a_100011218213_200015811170 [0,1,0,0,0,1|2,0,0]=4 540 B16R2.1054 O=c1[nH]c(cc2c1cccc2)SCCF 62a_100011217306_200015811170 [0,1,0,0,0,1|2,0,0]=4 541 B16R2.1054 O=c1[nH]c(cc2c1cccc2)SCCO 62a_100000211926_200015811170 [0,1,0,0,0,1|2,0,0]=4 542 B16R2.1054 O=c1cc([nH]c2c1cccc2)SCCF 62a_100011217306_100000090176 [0,1,0,0,0,1|2,0,0]=4 543 B16R2.1054 O=c1cc([nH]c2c1cccc2)SCCO 62a_100000211926_100000090176 [0,1,0,0,0,1|2,0,0]=4 544 B16R2.21738 CC=Cc1nc2ccccc2c(=O)n1C 271570a_100016259895_200000215938 [0,1,0,0,0,1|1,0,1]=4 545 B16R2.21738 CCNc1nc2ccccc2c(=O)n1C 27a_100015525214_200000215938 [0,1,0,0,0,1|2,0,0]=4 546 B16R2.21738 CCSc1nc2ccccc2c(=O)n1C 62a_100000210202_200000215938 [0,1,0,0,0,1|2,0,0]=4 547 B16R2.24933 CC(=Cc1cc(=O)c2ccccc2[nH]1)C 271570a_100102525489_100000090176 [0,1,0,0,0,1|1,0,1]=4 548 B16R2.24933 CC(C)Sc1cc(=O)c2ccccc2[nH]1 62a_100000210206_100000090176 [0,1,0,0,0,1|2,0,0]=4 549 B16R2.24933 CC(C)Sc1cc2ccccc2c(=O)[nH]1 62a_100000210206_200015811170 [0,1,0,0,0,1|2,0,0]=4 550 B16R2.12192 CCCCc1n[nH]c(=O)c2c1cccc2 271570a_100020621405_100010235092 [0,1,0,0,0,1|1,0,1]=4 551 B16R2.12192 CCCSc1n[nH]c(=O)c2c1cccc2 62a_100000210303_100010235092 [0,1,0,0,0,1|1,0,1]=4 552 B16R2.12192 CCNCc1c[nH]c(=O)c2c1cccc2 270004a_100015525214_100009868339 [0,1,0,0,0,1|1,0,1]=4 553 B16R2.12192 CCNN=C1CNC(=O)c2c1cccc2 4a_100000756455_100009878905 [0,1,0,0,0,1|2,0,0]=4 554 B16R2.12192 CCNN=C1COC(=O)c2c1cccc2 4a_100000756455_200010632819 [0,1,0,0,0,1|1,0,0]=3 555 B16R2.12192 COCSc1n[nH]c(=O)c2c1cccc2 62a_100000766300_100010235092 [0,1,0,0,0,1|2,0,0]=4 556 B16R2.12192 CSCSc1n[nH]c(=O)c2c1cccc2 62a_100011218213_100010235092 [0,1,0,0,0,1|2,0,0]=4 557 B16R2.12192 O=c1[nH]nc(c2c1cccc2)SCCF 62a_100011217306_100010235092 [0,1,0,0,0,1|2,0,0]=4 558 B16R2.12192 O=c1[nH]nc(c2c1cccc2)SCCO 62a_100000211926_100010235092 [0,1,0,0,0,1|2,0,0]=4 559 B16R2.24414 CC(=Cc1n[nH]c(=O)c2c1cccc2)C 271570a_100102525489_100010235092 [0,1,0,0,0,1|1,0,1]=4 560 B16R2.24414 CC(C)Sc1n[nH]c(=O)c2c1cccc2 62a_100000210206_100010235092 [0,1,0,0,0,1|2,0,0]=4 561 B16R2.33942 CCC(=O)c1ccc(c2c1cccc2)Br 1458a_100012047197_100000210202 [0,1,0,0,0,1|2,0,0]=4 562 B16R2.33942 CCC(=O)c1ccc(c2c1cccc2)C 1458a_100011217726_100000210202 [0,1,0,0,0,1|2,0,0]=4 563 B16R2.33942 CCC(=O)c1ccc(c2c1cccc2)Cl 1458a_100012348593_100000210202 [0,1,0,0,0,1|2,0,0]=4 564 B16R2.33942 CCC(=O)c1ccc(c2c1cccc2)F 1458a_100000186238_100000210202 [0,1,0,0,0,1|2,0,0]=4 565 B16R2.50940 CC=Cc1cn(c(=O)c2c1cccc2)C 271570a_100016259895_100000239302 [0,1,0,0,0,1|1,0,1]=4 566 B16R2.50940 CCSc1cn(c(=O)c2c1cccc2)C 62a_100000210202_100000239302 [0,1,0,0,0,1|2,0,0]=4 567 B16R2.50940 CCSc1cn(c(=O)c2c1cccc2)C 62a_100000239302_100000210202 [0,1,0,0,0,1|2,0,0]=4 568 B16R2.119698 CC=Cc1c[nH]c(=O)c2c1cc(cc2)F 271570a_100016259895_100010191626 [0,1,0,0,0,1|1,0,1]=4 569 B16R2.119698 CCSc1c[nH]c(=O)c2c1cc(cc2)F 62a_100000210202_100010191626 [0,1,0,0,0,1|2,0,0]=4 570 B16R2.119700 CC=Cc1ccc(c2c1cccc2)C=O 271570a_100016259895_100012359940 [0,1,0,0,0,1|1,0,1]=4 571 B16R2.119700 CCSc1ccc(c2c1cccc2)C=O 62a_100012359940_100000210202 [0,1,0,0,0,1|2,0,0]=4 572 B16R2.3995 CC(=Cc1cc(=O)[nH]c2c1cccc2)C 271570a_100102525489_100000075698 [0,1,0,0,0,1|1,0,1]=4 573 B16R2.3995 CC(C)Nc1cc(=O)[nH]c2c1cccc2 27a_100138425928_100000075698 [0,1,0,0,0,1|2,0,0]=4 574 B16R2.3995 CC(C)Sc1cc(=O)[nH]c2c1cccc2 62a_100000210206_100000075698 [0,1,0,0,0,1|2,0,0]=4 575 B16R2.12202 CCCCc1cc(=O)[nH]c2c1cccc2 271570a_100020621405_100000075698 [0,1,0,0,0,1|1,0,1]=4 576 B16R2.12202 CCCSc1cc(=O)[nH]c2c1cccc2 62a_100000210303_100000075698 [0,1,0,0,0,1|1,0,1]=4 577 B16R2.12202 CCNN=C1CC(=O)Oc2c1cccc2 4a_100000756455_100000047318 [0,1,0,0,0,1|2,0,0]=4 578 B16R2.12202 COCSc1cc(=O)[nH]c2c1cccc2 62a_100000766300_100000075698 [0,1,0,0,0,1|2,0,0]=4 579 B16R2.12202 CSCSc1cc(=O)[nH]c2c1cccc2 62a_100011218213_100000075698 [0,1,0,0,0,1|2,0,0]=4 580 B16R2.12202 O=c1cc(c2ccccc2[nH]1)NCCO 27a_100000210304_100000075698 [0,1,0,0,0,1|2,0,0]=4 581 B16R2.12202 O=c1cc(c2ccccc2[nH]1)SCCF 62a_100011217306_100000075698 [0,1,0,0,0,1|2,0,0]=4 582 B16R2.12202 O=c1cc(c2ccccc2[nH]1)SCCO 62a_100000211926_100000075698 [0,1,0,0,0,1|2,0,0]=4 583 B16R2.33951 CCC(=O)c1cc(cc2c1cccc2)Br 1458a_100000752674_100000210202 [0,1,0,0,0,1|2,0,0]=4 584 B16R2.33951 CCC(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_100000210202 [0,1,0,0,0,1|1,0,1]=4 585 B16R2.113313 CCOc1cc(=O)oc2c1ccc(c2)Br 7a_100010062223_100000210202 [0,1,0,0,0,1|2,0,0]=4 586 B16R2.113313 CCOc1cc(=O)oc2c1ccc(c2)F 7a_100009876825_100000210202 [0,1,0,0,0,1|2,0,0]=4 587 B16R2.365385 CCOc1cc(=O)oc2c1cc(cc2)Br 7a_100009814091_100000210202 [0,1,0,0,0,1|2,0,0]=4 588 B16R2.365385 CCOc1cc(=O)oc2c1cc(cc2)C 7a_100000008869_100000210202 [0,1,0,0,0,1|2,0,0]=4 589 B16R2.365385 CCOc1cc(=O)oc2c1cc(cc2)Cl 7a_100000038020_100000210202 [0,1,0,0,0,1|2,0,0]=4 590 B16R2.365385 CCOc1cc(=O)oc2c1cc(cc2)F 34a_100000038269_100000210202 [0,1,0,0,0,1|2,0,0]=4 591 B16R2.365385 CCOc1cc(=O)oc2c1cc(cc2)F 7a_100000038269_100000210202 [0,1,0,0,0,1|2,0,0]=4 592 B16R2.6329 C#CCCSC1OC(=O)c2c1cccc2 62a_100000688953_100009813457 [0,2,0,0,0,0|1,0,1]=4 593 B16R2.6329 C/C=C/CSC1OC(=O)c2c1cccc2 62a_100102629194_100009813457 [0,2,0,0,0,0|0,0,2]=4 594 B16R2.6329 C=CCCNC1OC(=O)c2c1cccc2 2230a_100015191253_100009813457 [0,2,0,0,0,0|1,0,1]=4 595 B16R2.6329 C=CCCSC1OC(=O)c2c1cccc2 62a_100000754431_100009813457 [0,2,0,0,0,0|1,0,1]=4 596 B16R2.6329 CC#CCNC1OC(=O)c2c1cccc2 2230a_100000685387_100009813457 [0,2,0,0,0,0|1,0,1]=4 597 B16R2.6329 CC#CCSC1OC(=O)c2c1cccc2 62a_100000748600_100009813457 [0,2,0,0,0,0|1,0,1]=4 598 B16R2.6329 CC=CCSC1OC(=O)c2c1cccc2 62a_100000070051_100009813457 [0,2,0,0,0,0|0,0,2]=4 599 B16R2.6329 CCCCNC1OC(=O)c2c1cccc2 2230a_100000102301_100009813457 [0,2,0,0,0,0|0,0,2]=4 600 B16R2.6329 CCCCSC1OC(=O)c2c1cccc2 62a_100000210211_100009813457 [0,2,0,0,0,0|0,0,2]=4 601 B16R2.6329 CCOCSC1OC(=O)c2c1cccc2 62a_100000739092_100009813457 [0,2,0,0,0,0|0,0,2]=4 602 B16R2.6329 COCCNC1OC(=O)c2c1cccc2 2230a_100000209980_100009813457 [0,2,0,0,0,0|0,0,2]=4 603 B16R2.6329 COCCSC1OC(=O)c2c1cccc2 62a_100000233755_100009813457 [0,2,0,0,0,0|0,0,2]=4 604 B16R2.6329 CSCCNC1OC(=O)c2c1cccc2 2230a_100020590264_100009813457 [0,2,0,0,0,0|0,0,2]=4 605 B16R2.6329 CSCCSC1OC(=O)c2c1cccc2 62a_100000212216_100009813457 [0,2,0,0,0,0|0,0,2]=4 606 B16R2.6329 N#CCCSC1OC(=O)c2c1cccc2 62a_100011215226_100009813457 [0,2,0,0,0,0|1,0,1]=4 607 B16R2.6329 O=C1OC(c2c1cccc2)NCCCF 2230a_100015189416_100009813457 [0,2,0,0,0,0|0,0,2]=4 608 B16R2.6329 O=C1OC(c2c1cccc2)SCCCF 62a_100011934791_100009813457 [0,2,0,0,0,0|0,0,2]=4 609 B16R2.6329 O=C1OC(c2c1cccc2)SCCCO 62a_100011215043_100009813457 [0,2,0,0,0,0|0,0,2]=4 610 B16R2.33556 C#CC(C)NC1OC(=O)c2c1cccc2 2230a_100000707721_100009813457 [0,2,0,0,0,0|1,0,1]=4 611 B16R2.33556 C#CC(C)SC1OC(=O)c2c1cccc2 62a_200000035995_100009813457 [0,2,0,0,0,0|1,0,1]=4 612 B16R2.33556 C=CC(C)SC1OC(=O)c2c1cccc2 62a_100011215867_100009813457 [0,2,0,0,0,0|1,0,1]=4 613 B16R2.33556 CC(C#N)NC1OC(=O)c2c1cccc2 2230a_100000737613_100009813457 [0,2,0,0,0,0|1,0,1]=4 614 B16R2.33556 CC(C#N)SC1OC(=O)c2c1cccc2 62a_100000703298_100009813457 [0,2,0,0,0,0|1,0,1]=4 615 B16R2.33556 CC(CO)SC1OC(=O)c2c1cccc2 62a_100012180447_100009813457 [0,2,0,0,0,0|1,0,1]=4 616 B16R2.33556 CCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000210202 [0,2,0,0,0,0|0,0,0]=2 617 B16R2.33556 CCC(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_100000210202 [0,2,0,0,0,0|1,0,1]=4 618 B16R2.33556 CCC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000210202 [0,2,0,0,0,0|0,0,1]=3 619 B16R2.33556 CCC(=O)NC1NC(=O)c2c1cccc2 1626a_100016086272_100000210414 [0,2,0,0,0,0|1,0,1]=4 620 B16R2.33556 CCC(=O)NC1NC(=O)c2c1cccc2 240690a_100016086272_100000210414 [0,2,0,0,0,0|1,0,1]=4 621 B16R2.33556 CCC(=O)NC1NC(=O)c2c1cccc2 527a_100016086272_100000210414 [0,2,0,0,0,0|1,0,1]=4 622 B16R2.33556 CCC(C)NC1OC(=O)c2c1cccc2 2230a_100000209981_100009813457 [0,2,0,0,0,0|0,0,2]=4 623 B16R2.33556 CCC(C)SC1OC(=O)c2c1cccc2 62a_100000758301_100009813457 [0,2,0,0,0,0|0,0,2]=4 624 B16R2.33556 CNC(=O)C=C1OC(=O)c2c1cccc2 240690a_100102657272_200000693922 [0,2,0,0,0,0|0,0,1]=3 625 B16R2.33556 CNC(=O)CC1OC(=O)c2c1cccc2 11a_106832991635_100000185305 [0,2,0,0,0,0|1,0,1]=4 626 B16R2.33556 CNC(=O)CC1OC(=O)c2c1cccc2 1626a_100102657272_100000185305 [0,2,0,0,0,0|1,0,1]=4 627 B16R2.33556 CNC(=O)CC1OC(=O)c2c1cccc2 240690a_100102657272_100000185305 [0,2,0,0,0,0|1,0,1]=4 628 B16R2.33556 CNC(=O)CC1OC(=O)c2c1cccc2 527a_100102657272_100000185305 [0,2,0,0,0,0|1,0,1]=4 629 B16R2.33556 COC(C)SC1OC(=O)c2c1cccc2 62a_100009879195_100009813457 [0,2,0,0,0,0|1,0,1]=4 630 B16R2.33556 C[C@H](CO)NC1OC(=O)c2c1cccc2 2230a_100000737577_100009813457 [0,2,0,0,0,0|1,0,1]=4 631 B16R2.33556 C[C@H](CO)SC1OC(=O)c2c1cccc2 62a_100016084084_100009813457 [0,2,0,0,0,0|1,0,1]=4 632 B16R2.33556 O=C(C=C1OC(=O)c2c1cccc2)CF 1458a_200000693922_100015361967 [0,2,0,0,0,0|0,0,1]=3 633 B16R2.33556 O=C(CF)CC1OC(=O)c2c1cccc2 1458a_100000185305_100015361967 [0,2,0,0,0,0|1,0,1]=4 634 B16R2.104522 C=C(C)CSC1OC(=O)c2c1cccc2 62a_100000748629_100009813457 [0,2,0,0,0,0|1,0,1]=4 635 B16R2.104522 CC(C)CNC1OC(=O)c2c1cccc2 2230a_100000210953_100009813457 [0,2,0,0,0,0|0,0,2]=4 636 B16R2.104522 CC(C)CSC1OC(=O)c2c1cccc2 62a_100000210624_100009813457 [0,2,0,0,0,0|0,0,2]=4 637 B16R2.104522 CC(O)CNC1OC(=O)c2c1cccc2 2230a_100000210904_100009813457 [0,2,0,0,0,0|0,0,2]=4 638 B16R2.104522 CC(O)CSC1OC(=O)c2c1cccc2 62a_100011218427_100009813457 [0,2,0,0,0,0|0,0,2]=4 639 B16R2.104522 C[C@@H](O)CSC1OC(=O)c2c1cccc2 62a_100009817552_100009813457 [0,2,0,0,0,0|0,0,2]=4 640 B16R2.104522 O=C1OC(c2c1cccc2)SCC(F)F 62a_100011934356_100009813457 [0,2,0,0,0,0|1,0,1]=4 641 B16R2.154585 CCCC(=O)C1CC(=O)c2c1cccc2 1458a_100000211992_100010208147 [0,2,0,0,0,0|1,0,1]=4 642 B16R2.154585 CCCN(C)C1OC(=O)c2c1cccc2 2230a_100000747261_100009813457 [0,2,0,0,0,0|0,0,2]=4 643 B16R2.154585 CCCN(C)C1OC(=O)c2c1cccc2 269982a_100000747261_100009813457 [0,2,0,0,0,0|0,0,2]=4 644 B16R2.154585 CN(CCO)C1OC(=O)c2c1cccc2 2230a_100000210263_100009813457 [0,2,0,0,0,0|1,0,1]=4 645 B16R2.154585 CN(CCO)C1OC(=O)c2c1cccc2 269982a_100000210263_100009813457 [0,2,0,0,0,0|1,0,1]=4 646 B16R2.154585 COCC(=O)C1CC(=O)c2c1cccc2 1458a_100000210968_100010208147 [0,2,0,0,0,0|1,0,1]=4 647 B16R2.154585 CSCC(=O)C1CC(=O)c2c1cccc2 1458a_100000184570_100010208147 [0,2,0,0,0,0|1,0,1]=4 648 B16R2.154585 O=C1CC(c2c1cccc2)C(=O)CCO 1458a_100011216618_100010208147 [0,2,0,0,0,0|1,0,1]=4 649 B16R2.104521 CC(C)C(=O)C1CC(=O)c2c1cccc2 1458a_100000210198_100010208147 [0,2,0,0,0,0|1,0,1]=4 650 B16R2.104521 CC(C)N(C)C1OC(=O)c2c1cccc2 269982a_200000211004_100009813457 [0,2,0,0,0,0|1,0,1]=4 651 B16R2.104521 CC(F)C(=O)C1CC(=O)c2c1cccc2 1458a_100000062450_100010208147 [0,2,0,0,0,0|1,0,1]=4 652 B16R2.104521 C[C@@H](O)C(=O)C1CC(=O)c2c1cccc2 1458a_100000717761_100010208147 [0,2,0,0,0,0|1,0,1]=4 653 B16R2.104521 C[C@H](O)C(=O)C1CC(=O)c2c1cccc2 1458a_217856618621_100010208147 [0,2,0,0,0,0|1,0,1]=4 654 B16R2.155906 CCN(CC)C1OC(=O)c2c1cccc2 2230a_100000724800_100009813457 [0,2,0,0,0,0|1,0,1]=4 655 B16R2.155906 CCN(CC)C1OC(=O)c2c1cccc2 269956a_100000042499_100009813457 [0,2,0,0,0,0|1,0,1]=4 656 B16R2.155906 CCN(CC)C1OC(=O)c2c1cccc2 269982a_100000724800_100009813457 [0,2,0,0,0,0|1,0,1]=4 657 B16R2.45200 CC(C)(C)NC1OC(=O)c2c1cccc2 2230a_100000715429_100009813457 [0,2,0,0,0,0|1,0,1]=4 658 B16R2.45200 CC(C)(C)SC1OC(=O)c2c1cccc2 62a_100000211941_100009813457 [0,2,0,0,0,0|1,0,1]=4 659 B14R2.8 CCc1ccc(s1)c2ccccc2 271570a_100011218836_100009844052 [0,0,1,1,0,0|1,1,0]=4 660 B14R2.8 CCc1csc(c1)c2ccccc2 271570a_100009871738_100000210277 [0,0,1,1,0,0|1,1,0]=4 661 B14R2.8 CCc1noc(n1)c2ccccc2 270196a_200000212204_100000185807 [0,0,1,1,0,0|2,0,0]=4 662 B14R2.8 CSc1coc(n1)c2ccccc2 62a_100010163736_200000210301 [0,0,1,1,0,0|2,0,0]=4 663 B14R2.8 CSc1coc(n1)c2ccccc2 62a_200000210301_100010163736 [0,0,1,1,0,0|2,0,0]=4 664 B14R2.8 [13CH3]Sc1coc(n1)c2ccccc2 62a_100010163736_200025704644 [0,0,1,1,0,0|2,0,0]=4 665 B14R2.8 [13CH3]Sc1coc(n1)c2ccccc2 62a_200025704644_100010163736 [0,0,1,1,0,0|2,0,0]=4 666 B14R2.14 CCc1ccsc1c2ccccc2 271570a_100011218836_200009875468 [0,0,1,1,0,0|1,1,0]=4 667 B14R2.92 CNc1ccc2ccccc2c1O 34a_100000007060_200000210301 [0,0,1,1,0,0|2,0,0]=4 668 B14R2.92 COc1ccc2ccccc2c1O 271570a_203496583355_100000173347 [0,0,1,1,0,0|2,0,0]=4 669 B14R2.92 CSc1ccc2ccccc2c1O 62a_200000210301_100009996032 [0,0,1,1,0,0|2,0,0]=4 670 B14R2.92 [13CH3]Nc1ccc2ccccc2c1O 34a_100000007060_200025704644 [0,0,1,1,0,0|2,0,0]=4 671 B14R2.92 [13CH3]Sc1ccc2ccccc2c1O 62a_200025704644_100009996032 [0,0,1,1,0,0|2,0,0]=4 672 B14R2.98 O=Cc1ccccc1C2=CCCC2 271570a_100000089523_100000211189 [0,0,1,1,0,0|1,0,0]=3 673 B14R2.98 O=Cc1ccccc1C2=CCOC2 271570a_100009872500_100000211189 [0,0,1,1,0,0|2,0,0]=4 674 B14R2.98 O=Cc1ccccc1C2=COCC2 271570a_100000118173_100000211189 [0,0,1,1,0,0|2,0,0]=4 675 B14R2.98 O=Cc1ccccc1c2ccco2 271570a_100000740022_100009814098 [0,0,1,1,0,0|0,0,2]=4 676 B14R2.98 O=Cc1ccccc1c2ccco2 271570a_100000750936_100000211189 [0,0,1,1,0,0|0,0,2]=4 677 B14R2.98 O=Cc1ccccc1c2cnco2 271570a_100000740022_100020591547 [0,0,1,1,0,0|1,0,1]=4 678 B14R2.98 O=Cc1cccnc1C2=CCCC2 271570a_100000089523_100009816751 [0,0,1,1,0,0|2,0,0]=4 679 B14R2.98 O=Cc1ccncc1C2=CCCC2 271570a_100000089523_100011934409 [0,0,1,1,0,0|2,0,0]=4 680 B14R2.98 O=Cc1cnccc1C2=CCCC2 271570a_100000089523_100000050567 [0,0,1,1,0,0|2,0,0]=4 681 B14R2.98 O=Cc1ncccc1C2=CCCC2 271570a_100000089523_100011934733 [0,0,1,1,0,0|2,0,0]=4 682 B14R2.3348 C=C(c1ccccc1C=O)C2CC2 271570a_100010895485_100000211189 [0,0,1,1,0,0|1,0,1]=4 683 B14R2.7724 Cn1cc(c2ccccc2c1=O)O 271570a_203496583355_100000239302 [0,0,1,1,0,0|1,0,0]=3 684 B14R2.7724 Cn1cc(c2ccncc2c1=O)O 271570a_203496583355_100054690642 [0,0,1,1,0,0|2,0,0]=4 685 B14R2.4 CC(=O)c1cccc2c1ccn2C 1458a_100000750200_200000210301 [0,0,1,1,0,0|2,0,0]=4 686 B14R2.4 Cn1ccc2c1cccc2C(=O)[13CH3] 1458a_100000750200_200025704644 [0,0,1,1,0,0|2,0,0]=4 687 B14R2.1019 COc1cc(c2ccccc2c1)O 271570a_203496583355_100010152498 [0,0,1,1,0,0|2,0,0]=4 688 B14R2.1019 CSc1cc(c2ccccc2c1)O 62a_200000210301_100010089979 [0,0,1,1,0,0|2,0,0]=4 689 B14R2.1019 CSc1cc2ccccc2c(=O)[nH]1 62a_200000210301_200015811170 [0,0,1,1,0,0|2,0,0]=4 690 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)O 62a_200025704644_100010089979 [0,0,1,1,0,0|2,0,0]=4 691 B14R2.1019 [13CH3]Sc1cc2ccccc2c(=O)[nH]1 62a_200025704644_200015811170 [0,0,1,1,0,0|2,0,0]=4 692 B14R2.9513 O=C(O)c1ccccc1SC2CC2 62a_202125556159_100000211595 [0,0,1,1,0,0|1,0,1]=4 693 B16R3.31922 O=c1cc([nH]c2c1cccc2)C3CC3 271570a_100011220607_100000090176 [0,0,0,1,0,1|1,0,1]=4 694 B16R3.31271 O=c1[nH]nc(c2c1cccc2)C3CC3 271570a_100011220607_100010235092 [0,0,0,1,0,1|1,0,1]=4 695 B16R3.3509 O=c1cc(c2ccccc2[nH]1)C3CC3 271570a_100011220607_100000075698 [0,0,0,1,0,1|1,0,1]=4 696 B16R3.52766 O=C1OC(c2c1cccc2)N3CCC3 269982a_100000754969_100009813457 [0,1,0,1,0,0|0,0,2]=4 697 B14R1.158 C/C=C/C=CC(=O)Cc1ccccc1 1458a_100000185730_100015291786 [0,0,1,0,0,1|1,0,1]=4 698 B14R1.158 C/C=C/C=CC(=O)Nc1ccccc1 11a_100000106764_100000185730 [0,0,1,0,0,1|1,0,1]=4 699 B14R1.158 C/C=C/C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185730 [0,0,1,0,0,1|1,0,1]=4 700 B14R1.158 C/C=C/C=CC(=O)Nc1ccccc1 22a_100000106764_100000185730 [0,0,1,0,0,1|1,0,1]=4 701 B14R1.158 CC/C=C/CC(=O)Cc1ccccc1 1458a_100016274230_100015291786 [0,0,1,0,0,1|1,0,0]=3 702 B14R1.158 CC/C=C/CC(=O)Cc1ccccn1 1458a_100016274230_100000721315 [0,0,1,0,0,1|2,0,0]=4 703 B14R1.158 CC/C=C/CC(=O)Cc1cccnc1 1458a_100016274230_100000733263 [0,0,1,0,0,1|2,0,0]=4 704 B14R1.158 CC/C=C/CC(=O)Cc1ccncc1 1458a_100016274230_100000705612 [0,0,1,0,0,1|2,0,0]=4 705 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 11a_100000106764_100016274230 [0,0,1,0,0,1|1,0,0]=3 706 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 1626a_100000106764_100016274230 [0,0,1,0,0,1|1,0,0]=3 707 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 22a_100000106764_100016274230 [0,0,1,0,0,1|1,0,0]=3 708 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 527a_100000106764_100016274230 [0,0,1,0,0,1|1,0,0]=3 709 B14R1.158 CC/C=C\CC(=O)C[n+]1ccccc1 1458a_200000086051_100103147603 [0,0,1,0,0,1|2,0,0]=4 710 B14R1.158 CC/C=C\CC(=O)Cc1ccccn1 1458a_100000233486_100103147603 [0,0,1,0,0,1|2,0,0]=4 711 B14R1.158 CC/C=C\CC(=O)Cc1cccnc1 1458a_100000737805_100103147603 [0,0,1,0,0,1|2,0,0]=4 712 B14R1.158 CCC=NNC(=O)Cc1ccccc1 4a_100000182964_100000210100 [0,0,1,0,0,1|2,0,0]=4 713 B14R1.158 CCCC=CC(=O)Cc1ccccc1 1458a_100000212230_100015291786 [0,0,1,0,0,1|1,0,1]=4 714 B14R1.158 CCCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212230 [0,0,1,0,0,1|1,0,1]=4 715 B14R1.158 CCCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212230 [0,0,1,0,0,1|1,0,1]=4 716 B14R1.158 CCCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212230 [0,0,1,0,0,1|1,0,1]=4 717 B14R1.158 CCOC=CC(=O)Cc1ccccc1 1458a_100016266692_100015291786 [0,0,1,0,0,1|2,0,0]=4 718 B14R1.158 CCOC=CC(=O)Nc1ccccc1 11a_100000106764_100016266692 [0,0,1,0,0,1|2,0,0]=4 719 B14R1.158 CCOC=CC(=O)Nc1ccccc1 1626a_100000106764_100016266692 [0,0,1,0,0,1|2,0,0]=4 720 B14R1.158 CCOC=CC(=O)Nc1ccccc1 22a_100000106764_100016266692 [0,0,1,0,0,1|2,0,0]=4 721 B14R1.965 CC=CC(=O)Cc1ccccc1C=O 1458a_100000210699_200009853537 [0,0,1,0,0,1|0,0,2]=4 722 B14R1.965 CCCC(=O)Cc1ccccc1C=O 1458a_100000211992_200009853537 [0,0,1,0,0,1|0,0,2]=4 723 B14R1.786 CCNCc1ccccc1CC(=O)O 269956a_100000688124_100000210202 [0,0,1,0,0,1|1,0,1]=4 724 B14R2.112 CC=Cc1cc2ccccc2cn1 271570a_100016259895_100000047361 [1,0,0,0,0,1|1,0,1]=4 725 B14R2.112 CC=Cc1ccc2ccccc2c1 271570a_100016259895_100000233703 [1,0,0,0,0,1|1,0,1]=4 726 B14R2.112 CC=Cc1ccc2ccccc2n1 271570a_100016259895_100011291633 [1,0,0,0,0,1|1,0,1]=4 727 B14R2.112 CC=Cc1ncc2ccccc2n1 271570a_100016259895_100000097389 [1,0,0,0,0,1|1,0,1]=4 728 B14R2.112 CCNc1ccc2ccccc2c1 34a_100000211940_100000210202 [1,0,0,0,0,1|2,0,0]=4 729 B14R2.112 CCNc1ccc2ccccc2c1 7a_100000211940_100000210202 [1,0,0,0,0,1|2,0,0]=4 730 B14R2.112 CCNc1ccc2ccccc2n1 27a_100015525214_100011291633 [1,0,0,0,0,1|2,0,0]=4 731 B14R2.112 CCNc1ncc2ccccc2n1 27a_100015525214_100000097389 [1,0,0,0,0,1|2,0,0]=4 732 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [1,0,0,0,0,1|2,0,0]=4 733 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [1,0,0,0,0,1|2,0,0]=4 734 B14R2.112 CCSc1cc2ccccc2cn1 62a_100000210202_100000047361 [1,0,0,0,0,1|2,0,0]=4 735 B14R2.112 CCSc1cc2ccccc2cn1 62a_100009816522_100000210202 [1,0,0,0,0,1|2,0,0]=4 736 B14R2.112 CCSc1ccc2ccccc2c1 62a_100000210202_100000233703 [1,0,0,0,0,1|2,0,0]=4 737 B14R2.112 CCSc1ccc2ccccc2n1 62a_100000210202_100011291633 [1,0,0,0,0,1|2,0,0]=4 738 B14R2.112 CCSc1ccc2ccccc2n1 62a_100011291633_100000210202 [1,0,0,0,0,1|2,0,0]=4 739 B14R2.112 CCSc1ncc2ccccc2n1 62a_100000210202_100000097389 [1,0,0,0,0,1|2,0,0]=4 740 B14R2.1146 C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100011290941_100000075698 [1,0,0,0,0,1|1,0,1]=4 741 B14R2.1146 CNc1cc(=O)[nH]c2c1cccc2 27a_100102657272_100000075698 [1,0,0,0,0,1|2,0,0]=4 742 B14R2.1146 CSc1cc(=O)[nH]c2c1cccc2 62a_200000210301_100000075698 [1,0,0,0,0,1|2,0,0]=4 743 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccc2 62a_200025704644_100000075698 [1,0,0,0,0,1|2,0,0]=4