0 B23R3.26139327 CC(=O)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000053229 [0,0,0,0,0,0|3,0,1]=4 1 B23R3.26139327 CC(O)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100012276601 [0,0,0,0,0,0|3,0,1]=4 2 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200000210301 [0,0,0,0,0,0|0,0,2]=2 3 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200000210301 [0,0,0,0,0,0|0,0,2]=2 4 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200000210301 [0,0,0,0,0,0|0,0,2]=2 5 B23R3.26139327 CN(C)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000755713 [0,0,0,0,0,0|1,0,1]=2 6 B23R3.26139327 CN(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000755713 [0,0,0,0,0,0|1,0,3]=4 7 B23R3.26139327 CN(C)CCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000755713 [0,0,0,0,0,0|2,0,2]=4 8 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200025704644 [0,0,0,0,0,0|0,0,2]=2 9 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200025704644 [0,0,0,0,0,0|0,0,2]=2 10 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200025704644 [0,0,0,0,0,0|0,0,2]=2 11 B22R3.12627361 COCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000233755 [1,0,0,0,0,0|2,0,1]=4 12 B22R3.12627361 CSCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000212216 [1,0,0,0,0,0|2,0,1]=4 13 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000210202 [0,1,0,0,0,0|0,0,2]=3 14 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000204670 [0,1,0,0,0,0|0,0,2]=3 15 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100000210202 [0,1,0,0,0,0|0,0,2]=3 16 B24R3.40764905 CN(CF)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100015361967 [0,1,0,0,0,0|0,0,2]=3 17 B24R3.40764905 CN(CF)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100015361967 [0,1,0,0,0,0|0,0,2]=3 18 B24R3.59644757 CN(C)C(=O)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000692301 [0,1,0,0,0,0|1,0,2]=4 19 B24R3.65582311 CN(C)CCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100102631434_200020598663 [0,1,0,0,0,0|1,0,2]=4 20 B24R3.65582311 CN(C)CCC(=O)N1c2ccccc2CCc3c1cccc3 269982a_100102631434_200020598663 [0,1,0,0,0,0|1,0,2]=4 21 B24R3.1505225918 CC(C)(O)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000702414 [0,1,0,0,0,0|2,0,1]=4 22 B24R3.1505225918 C[N+](C)(C)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000085578 [0,1,0,0,0,0|1,0,2]=4 23 B22R3.12307660 CC(C)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000210760 [0,0,0,0,1,0|2,0,1]=4 24 B22R3.16182945 CC(C)CNCc1c2ccccc2cc3c1cccc3 207a_100000210953_100000261405 [0,0,0,0,1,0|2,0,1]=4 25 B22R3.16182945 CC(C)CNCc1c2ccccc2cc3c1cccc3 2230a_100000210953_100009992879 [0,0,0,0,1,0|2,0,1]=4 26 B22R3.16182945 CC(C)CNCc1c2ccccc2cc3c1cccc3 270004a_100000210953_100000261405 [0,0,0,0,1,0|2,0,1]=4 27 B22R3.16182945 CC(C)CNCc1c2ccccc2cc3c1cccc3 270004a_100010165595_100000210432 [0,0,0,0,1,0|2,0,1]=4 28 B22R3.16182945 CC(C)CNCc1c2ccccc2cc3c1cccc3 34a_100000210953_100009992879 [0,0,0,0,1,0|2,0,1]=4 29 B22R3.16182945 CC(C)NN=Cc1c2ccccc2cc3c1cccc3 4a_100000741168_100000261405 [0,0,0,0,1,0|3,0,0]=4 30 B22R3.16182945 CC(C)OCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000709892 [0,0,0,0,1,0|3,0,0]=4 31 B22R3.16182945 CC(O)CCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100012276601 [0,0,0,0,1,0|3,0,0]=4 32 B22R3.16182945 CC(O)CCSc1c2ccccc2cc3c1cccc3 62a_100012276601_100000185772 [0,0,0,0,1,0|3,0,0]=4 33 B22R3.16182945 CN(C)CCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000755713 [0,0,0,0,1,0|2,0,1]=4 34 B22R3.16182945 CN(C)CCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000755713 [0,0,0,0,1,0|2,0,0]=3 35 B24R3.28516359 CC(C)OCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000211751 [0,0,0,0,0,1|2,0,1]=4 36 B24R3.28516359 CN(C)CCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000757444 [0,0,0,0,0,1|0,0,2]=3 37 B21R2.14087 CNCCCOc1ccccc1C=Cc2ccccc2 271570a_100102527694_100015186278 [1,0,1,0,0,0|1,0,1]=4 38 B23R3.38550080 CN(C)C(=O)C=Cc1c2ccccc2cc3c1cccc3 11a_100102631434_100016998482 [0,1,0,0,1,0|0,0,2]=4 39 B23R3.38550080 CN(C)C(=O)C=Cc1c2ccccc2cc3c1cccc3 240690a_100102631434_100016998482 [0,1,0,0,1,0|0,0,2]=4 40 B23R3.38550080 CN(C)C(=O)CCc1c2ccccc2cc3c1cccc3 11a_100102631434_100000136548 [0,1,0,0,1,0|0,0,2]=4 41 B23R3.38550080 CN(C)C(=O)CCc1c2ccccc2cc3c1cccc3 1626a_100102631434_100000136548 [0,1,0,0,1,0|0,0,2]=4 42 B23R3.38550080 CN(C)C(=O)CCc1c2ccccc2cc3c1cccc3 240690a_100102631434_100000136548 [0,1,0,0,1,0|0,0,2]=4 43 B23R3.38550080 CN(C)C(=O)CCc1c2ccccc2cc3c1cccc3 271570a_200010232142_100000185772 [0,1,0,0,1,0|0,0,2]=4 44 B23R3.38550080 CN(C)C(=O)CCc1c2ccccc2cc3c1cccc3 527a_100102631434_100000136548 [0,1,0,0,1,0|0,0,2]=4 45 B23R3.38550080 CN(C)C(=O)CNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000692301 [0,1,0,0,1,0|1,0,1]=4 46 B23R3.38550080 CN(C)C(=O)CSc1c2ccccc2cc3c1cccc3 62a_100000692301_100000185772 [0,1,0,0,1,0|1,0,1]=4 47 B23R3.41925352 CC(C)CNC(=O)c1c2ccccc2cc3c1cccc3 11a_100000210953_100000610644 [0,1,0,0,1,0|2,0,0]=4 48 B23R3.41925352 CC(C)CNC(=O)c1c2ccccc2cc3c1cccc3 1626a_100000210953_100000610644 [0,1,0,0,1,0|2,0,0]=4 49 B23R3.41925352 CC(C)CNC(=O)c1c2ccccc2cc3c1cccc3 240690a_100000210953_100000610644 [0,1,0,0,1,0|2,0,0]=4 50 B23R3.41925352 CC(O)CCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100012276601 [0,1,0,0,1,0|2,0,0]=4 51 B23R3.41925352 CN(C)CCC(=O)N1c2ccccc2Sc3c1cccc3 2230a_100102631434_200015341630 [0,1,0,0,1,0|2,0,0]=4 52 B23R3.41925352 CN(C)CCC(=O)N1c2ccccc2Sc3c1cccc3 269982a_100102631434_200015341630 [0,1,0,0,1,0|2,0,0]=4 53 B23R3.71886310 CC(CN(C)C)Sc1c2ccccc2nc3c1cccc3 62a_100000044299_100020606517 [0,1,0,0,1,0|2,0,0]=4 54 B23R3.71886310 CN(C)CC(=O)Cc1c2ccccc2cc3c1cccc3 1458a_100000750896_100009992879 [0,1,0,0,1,0|0,0,2]=4 55 B23R3.71886310 CN(C)CC(=O)Nc1c2ccccc2cc3c1cccc3 11a_100009882017_100000750896 [0,1,0,0,1,0|1,0,1]=4 56 B23R3.71886310 CN(C)CC(=O)Nc1c2ccccc2cc3c1cccc3 22a_100009882017_100000750896 [0,1,0,0,1,0|1,0,1]=4 57 B23R3.434039265 CC(C)(O)CCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000702414 [0,1,0,0,1,0|2,0,0]=4 58 B23R3.434039265 C[N+](C)(C)CCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000085578 [0,1,0,0,1,0|1,0,1]=4 59 B23R3.434039265 C[N+](C)(C)CCSc1c2ccccc2cc3c1cccc3 62a_100000085578_100000185772 [0,1,0,0,1,0|1,0,1]=4 60 B25R3.46981908 CCN(C)CCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100015186262 [0,1,0,0,0,1|0,0,2]=4 61 B25R3.66670882 CN(C)C(=O)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000737620 [0,1,0,0,0,1|1,0,1]=4 62 B25R3.120010569 CC(COC1c2ccccc2C=Cc3c1cccc3)CN(C)C 7a_100000036585_100015348159 [0,1,0,0,0,1|0,0,2]=4 63 B25R3.57381326 C#CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000038162 [0,2,0,0,0,0|0,0,2]=4 64 B25R3.57381326 C#CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100000184674 [0,2,0,0,0,0|0,0,2]=4 65 B25R3.57381326 C=CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000210623 [0,2,0,0,0,0|0,0,2]=4 66 B25R3.57381326 C=CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000210623 [0,2,0,0,0,0|0,0,2]=4 67 B25R3.57381326 C=CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100015514636 [0,2,0,0,0,0|0,0,2]=4 68 B25R3.57381326 CCCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000210303 [0,2,0,0,0,0|0,0,2]=4 69 B25R3.57381326 CCCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000210303 [0,2,0,0,0,0|0,0,2]=4 70 B25R3.57381326 CCCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100000210303 [0,2,0,0,0,0|0,0,2]=4 71 B25R3.57381326 CN(CC#N)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100011215382 [0,2,0,0,0,0|0,0,2]=4 72 B25R3.57381326 CN(CC#N)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100011214920 [0,2,0,0,0,0|0,0,2]=4 73 B25R3.57381326 CN(CC=O)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200015260668 [0,2,0,0,0,0|0,0,2]=4 74 B25R3.57381326 CN(CC=O)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200015260668 [0,2,0,0,0,0|0,0,2]=4 75 B25R3.57381326 CN(CC=O)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200009817547 [0,2,0,0,0,0|0,0,2]=4 76 B25R3.57381326 CN(CCF)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100011217306 [0,2,0,0,0,0|0,0,2]=4 77 B25R3.57381326 CN(CCF)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100011217306 [0,2,0,0,0,0|0,0,2]=4 78 B25R3.57381326 CN(CCF)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100011217306 [0,2,0,0,0,0|0,0,2]=4 79 B25R3.57381326 CN(CCO)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000211926 [0,2,0,0,0,0|0,0,2]=4 80 B25R3.57381326 CN(CCO)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000211926 [0,2,0,0,0,0|0,0,2]=4 81 B25R3.57381326 CN(CCO)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100000211926 [0,2,0,0,0,0|0,0,2]=4 82 B25R3.57381326 COCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000766300 [0,2,0,0,0,0|0,0,2]=4 83 B25R3.57381326 COCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000766300 [0,2,0,0,0,0|0,0,2]=4 84 B25R3.57381326 CSCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100011218213 [0,2,0,0,0,0|0,0,2]=4 85 B25R3.57381326 CSCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100011218213 [0,2,0,0,0,0|0,0,2]=4 86 B25R3.57381326 CSCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100011218213 [0,2,0,0,0,0|0,0,2]=4 87 B25R3.123138604 CCN(CC)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000700428 [0,2,0,0,0,0|1,0,1]=4 88 B25R4.17937559 CN1CCC(C1)OC2c3ccccc3C=Cc4c2cccc4 7a_100000036585_200012183744 [0,0,0,1,0,1|0,0,2]=4 89 B21R2.13007 CN(C)CCOc1ccccc1C=Cc2ccccc2 271570a_100102527694_100102946404 [0,0,1,0,1,0|1,0,0]=3 90 B21R2.13007 CN(C)CCOc1ccccc1C=Cc2cccnc2 271570a_100102525586_100102946404 [0,0,1,0,1,0|2,0,0]=4 91 B23R3.19159989 CC(C)OCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000211751 [0,0,0,0,1,1|2,0,0]=4 92 B23R3.19159989 CN(C)CCCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000757444 [0,0,0,0,1,1|1,0,1]=4 93 B23R3.19159989 CN(C)CCNCc1c2ccccc2cc3c1cccc3 207a_100000210585_100000261405 [0,0,0,0,1,1|0,0,1]=3 94 B23R3.19159989 CN(C)CCNCc1c2ccccc2cc3c1cccc3 270004a_100000210585_100000261405 [0,0,0,0,1,1|0,0,1]=3 95 B23R3.19159989 CN(C)CCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000755713 [0,0,0,0,1,1|0,0,1]=3 96 B23R3.19159989 CN(C)CCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000755713 [0,0,0,0,1,1|0,0,1]=3 97 B23R3.19159989 CN(C)CCSCc1c2ccccc2nc3c1cccc3 62a_100009813545_100000755713 [0,0,0,0,1,1|1,0,1]=4