0 B23R3.25657126 CCCCNN=C1c2ccccc2CCc3c1cccc3 4a_100025702795_100000061076 [0,0,0,0,0,0|2,0,2]=4 1 B23R3.25657126 CCCCNN=C1c2ccccc2COc3c1cccc3 4a_100025702795_100009998808 [0,0,0,0,0,0|3,0,1]=4 2 B23R3.25657126 CCCCNN=C1c2ccccc2CSc3c1cccc3 4a_100025702795_100000037704 [0,0,0,0,0,0|3,0,1]=4 3 B23R3.25657126 COCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000740836 [0,0,0,0,0,0|3,0,1]=4 4 B22R3.12627361 C#CCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000688953 [1,0,0,0,0,0|1,0,2]=4 5 B22R3.12627361 C/C=C/COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100102629194 [1,0,0,0,0,0|1,0,2]=4 6 B22R3.12627361 C=CCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000754431 [1,0,0,0,0,0|1,0,2]=4 7 B22R3.12627361 CC#CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000748600 [1,0,0,0,0,0|1,0,2]=4 8 B22R3.12627361 CC=CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000070051 [1,0,0,0,0,0|1,0,2]=4 9 B22R3.12627361 CCCNN=C1c2ccccc2CCc3c1cccc3 4a_100000740057_100000061076 [1,0,0,0,0,0|1,0,2]=4 10 B22R3.12627361 CCCNN=C1c2ccccc2COc3c1cccc3 4a_100000740057_100009998808 [1,0,0,0,0,0|2,0,1]=4 11 B22R3.12627361 CCCNN=C1c2ccccc2CSc3c1cccc3 4a_100000740057_100000037704 [1,0,0,0,0,0|2,0,1]=4 12 B22R3.12627361 COCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000233755 [1,0,0,0,0,0|1,0,1]=3 13 B22R3.12627361 CSCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000212216 [1,0,0,0,0,0|1,0,1]=3 14 B22R3.12627361 FCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011934791 [1,0,0,0,0,0|2,0,1]=4 15 B22R3.12627361 N#CCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000184422 [1,0,0,0,0,0|2,0,1]=4 16 B22R3.12627361 OCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011215043 [1,0,0,0,0,0|2,0,1]=4 17 B24R3.28516359 CN(C)CCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000757444 [0,1,0,0,0,0|2,0,1]=4 18 B22R3.15927150 C#CCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000688953 [0,0,0,0,1,0|2,0,1]=4 19 B22R3.15927150 C#CCCOCc1c2ccccc2cc3c1cccc3 34a_100011215631_100009992879 [0,0,0,0,1,0|2,0,1]=4 20 B22R3.15927150 C#CCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000688953 [0,0,0,0,1,0|2,0,1]=4 21 B22R3.15927150 CC#CCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000748600 [0,0,0,0,1,0|2,0,1]=4 22 B22R3.15927150 CC#CCOCc1c2ccccc2cc3c1cccc3 34a_100000761923_100009992879 [0,0,0,0,1,0|2,0,1]=4 23 B22R3.15927150 CC#CCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000748600 [0,0,0,0,1,0|2,0,1]=4 24 B22R3.15927150 CCCCNCc1c2ccccc2cc3c1cccc3 207a_100000102301_100000261405 [0,0,0,0,1,0|3,0,0]=4 25 B22R3.15927150 CCCCNCc1c2ccccc2cc3c1cccc3 2230a_100000102301_100009992879 [0,0,0,0,1,0|3,0,0]=4 26 B22R3.15927150 CCCCNCc1c2ccccc2cc3c1cccc3 270004a_100000102301_100000261405 [0,0,0,0,1,0|3,0,0]=4 27 B22R3.15927150 CCCCNCc1c2ccccc2cc3c1cccc3 7a_106832991798_100009992879 [0,0,0,0,1,0|3,0,0]=4 28 B22R3.15927150 CCCCNN=C1c2ccccc2Cc3c1cccc3 4a_100025702795_100000210129 [0,0,0,0,1,0|2,0,1]=4 29 B22R3.15927150 CCCCOCc1c2ccccc2nc3c1cccc3 7a_100000210227_100009813545 [0,0,0,0,1,0|3,0,0]=4 30 B22R3.15927150 COCCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000740836 [0,0,0,0,1,0|2,0,1]=4 31 B22R3.15927150 COCCNCc1c2ccccc2cc3c1cccc3 207a_100000209980_100000261405 [0,0,0,0,1,0|3,0,0]=4 32 B22R3.15927150 COCCNCc1c2ccccc2cc3c1cccc3 2230a_100000209980_100009992879 [0,0,0,0,1,0|3,0,0]=4 33 B22R3.15927150 COCCNCc1c2ccccc2cc3c1cccc3 270004a_100000209980_100000261405 [0,0,0,0,1,0|3,0,0]=4 34 B22R3.15927150 COCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100011201679 [0,0,0,0,1,0|2,0,0]=3 35 B22R3.15927150 COCCOCc1c2ccccc2cc3c1cccc3 34a_100000210237_100009992879 [0,0,0,0,1,0|2,0,0]=3 36 B22R3.15927150 COCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000233755 [0,0,0,0,1,0|2,0,0]=3 37 B22R3.15927150 COCCSCc1c2ccccc2cc3c1cccc3 62a_100000233755_100009992879 [0,0,0,0,1,0|2,1,0]=4 38 B22R3.15927150 COCCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000233755 [0,0,0,0,1,0|2,1,0]=4 39 B22R3.15927150 CSCCNCc1c2ccccc2cc3c1cccc3 207a_100020590264_100000261405 [0,0,0,0,1,0|3,0,0]=4 40 B22R3.15927150 CSCCNCc1c2ccccc2cc3c1cccc3 2230a_100020590264_100009992879 [0,0,0,0,1,0|3,0,0]=4 41 B22R3.15927150 CSCCNCc1c2ccccc2cc3c1cccc3 270004a_100020590264_100000261405 [0,0,0,0,1,0|3,0,0]=4 42 B22R3.15927150 CSCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000212216 [0,0,0,0,1,0|2,0,0]=3 43 B22R3.15927150 CSCCOCc1c2ccccc2cc3c1cccc3 34a_100000230434_100009992879 [0,0,0,0,1,0|2,0,0]=3 44 B22R3.15927150 CSCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000212216 [0,0,0,0,1,0|2,0,0]=3 45 B22R3.15927150 CSCCOCc1c2ccccc2cc3c1cccc3 7a_100000230434_100009992879 [0,0,0,0,1,0|2,0,0]=3 46 B22R3.15927150 CSCCOCc1c2ccccc2nc3c1cccc3 7a_100000230434_100009813545 [0,0,0,0,1,0|3,0,0]=4 47 B22R3.15927150 FCCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100011934791 [0,0,0,0,1,0|3,0,0]=4 48 B22R3.15927150 FCCCOCc1c2ccccc2cc3c1cccc3 34a_100000759539_100009992879 [0,0,0,0,1,0|3,0,0]=4 49 B22R3.15927150 FCCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100011934791 [0,0,0,0,1,0|3,0,0]=4 50 B22R3.15927150 N#CCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000184422 [0,0,0,0,1,0|3,0,0]=4 51 B22R3.15927150 NCCCOCc1c2ccccc2cc3c1cccc3 34a_100000182051_100009992879 [0,0,0,0,1,0|3,0,0]=4 52 B22R3.15927150 NOCCOCc1c2ccccc2cc3c1cccc3 34a_100000700252_100009992879 [0,0,0,0,1,0|3,0,0]=4 53 B22R3.15927150 OCCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000230001 [0,0,0,0,1,0|3,0,0]=4 54 B22R3.15927150 OCCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100011215043 [0,0,0,0,1,0|3,0,0]=4 55 B21R2.14087 CNCCCOc1ccccc1C=Cc2ccccc2 271570a_100102527694_100015186278 [1,0,1,0,0,0|2,0,0]=4 56 B23R3.21774393 COCC(C)OC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000765312 [1,1,0,0,0,0|1,0,1]=4 57 B23R3.24909647 CCC(O)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011218378 [1,1,0,0,0,0|1,0,1]=4 58 B23R3.24909647 CNC(=O)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000183359 [1,1,0,0,0,0|0,0,2]=4 59 B23R3.26139327 CC(=O)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000053229 [1,1,0,0,0,0|1,0,1]=4 60 B23R3.26139327 CC(O)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100012276601 [1,1,0,0,0,0|1,0,1]=4 61 B23R3.26139327 CN(C)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000755713 [1,1,0,0,0,0|0,0,1]=3 62 B23R3.19159989 CC(=O)CCOCc1c2ccccc2cc3c1cccc3 34a_100000759926_100009992879 [0,1,0,0,1,0|2,0,0]=4 63 B23R3.19159989 CC(=O)CCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000053229 [0,1,0,0,1,0|2,0,0]=4 64 B23R3.19159989 CC(=O)CCOCc1c2ccccc2cc3c1cccc3 7a_100000759926_100009992879 [0,1,0,0,1,0|2,0,0]=4 65 B23R3.19159989 CC(O)CCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100012276601 [0,1,0,0,1,0|2,0,0]=4 66 B23R3.19159989 CC(O)CCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100012276601 [0,1,0,0,1,0|2,0,0]=4 67 B23R3.19159989 CN(C)CCNCc1c2ccccc2cc3c1cccc3 207a_100000210585_100000261405 [0,1,0,0,1,0|2,0,0]=4 68 B23R3.19159989 CN(C)CCNCc1c2ccccc2cc3c1cccc3 270004a_100000210585_100000261405 [0,1,0,0,1,0|2,0,0]=4 69 B23R3.19159989 CN(C)CCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000755713 [0,1,0,0,1,0|1,0,0]=3 70 B23R3.19159989 CN(C)CCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000755713 [0,1,0,0,1,0|1,1,0]=4 71 B23R3.19159989 C[C@@H](N)CCOCc1c2ccccc2cc3c1cccc3 34a_100000706166_100009992879 [0,1,0,0,1,0|2,0,0]=4 72 B23R3.21302088 COCC(C)OCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000765312 [0,1,0,0,1,0|2,0,0]=4 73 B23R3.21302088 COCC(C)OCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000765312 [0,1,0,0,1,0|2,0,0]=4 74 B23R3.21302088 COC[C@@H](C)OCc1c2ccccc2cc3c1cccc3 34a_100011934205_100009992879 [0,1,0,0,1,0|2,0,0]=4 75 B23R3.26475393 CCC(O)COCc1c2ccccc2cc3c1cccc3 34a_100000025838_100011218378 [0,1,0,0,1,0|2,0,0]=4 76 B23R3.26475393 CCC(O)COCc1c2ccccc2cc3c1cccc3 7a_100000025838_100011218378 [0,1,0,0,1,0|2,0,0]=4 77 B23R3.26475393 CNC(=O)COCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000183359 [0,1,0,0,1,0|1,0,1]=4 78 B23R3.26475393 CNC(=O)COCc1c2ccccc2cc3c1cccc3 34a_100000750040_100009992879 [0,1,0,0,1,0|1,0,1]=4 79 B23R3.26475393 CNC(=O)COCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000183359 [0,1,0,0,1,0|1,0,1]=4 80 B23R3.26475393 COC(C)COCc1c2ccccc2cc3c1cccc3 34a_100000690652_100009992879 [0,1,0,0,1,0|2,0,0]=4 81 B23R3.31995510 CC#CCCOCc1c2ccccc2cc3c1cccc3 34a_100000750427_100009992879 [0,1,0,0,1,0|2,0,0]=4 82 B23R3.31995510 CCCCNN=Cc1c2ccccc2cc3c1cccc3 4a_100025702795_100000261405 [0,1,0,0,1,0|2,0,0]=4 83 B23R3.31995510 CCOCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000210147 [0,1,0,0,1,0|2,0,0]=4 84 B23R3.31995510 CCOCCOCc1c2ccccc2cc3c1cccc3 34a_100000210136_100009992879 [0,1,0,0,1,0|2,0,0]=4 85 B23R3.31995510 CCOCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100011215890 [0,1,0,0,1,0|2,0,0]=4 86 B23R3.31995510 CCOCCOCc1c2ccccc2cc3c1cccc3 7a_100000210136_100009992879 [0,1,0,0,1,0|2,0,0]=4 87 B23R3.31995510 CNCCCOCc1c2ccccc2cc3c1cccc3 34a_100000213112_100009992879 [0,1,0,0,1,0|1,0,0]=3 88 B23R3.31995510 COCCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000740836 [0,1,0,0,1,0|2,0,0]=4 89 B23R3.31995510 COCCCOCc1c2ccccc2cc3c1cccc3 34a_100000740835_100009992879 [0,1,0,0,1,0|2,0,0]=4 90 B23R3.31995510 COCCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000740836 [0,1,0,0,1,0|2,0,0]=4 91 B23R3.31995510 COCCOCSc1c2ccccc2cc3c1cccc3 62a_100000231047_100000185772 [0,1,0,0,1,0|2,0,0]=4 92 B23R3.31995510 NCCCCOCc1c2ccccc2cc3c1cccc3 34a_100000750430_100009992879 [0,1,0,0,1,0|2,0,0]=4 93 B23R3.31995510 OCCCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100011216708 [0,1,0,0,1,0|2,0,0]=4 94 B23R3.31995510 OCCCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000210776 [0,1,0,0,1,0|2,0,0]=4 95 B23R4.1541467 C1=Cc2ccccc2C(c3c1cccc3)OCC4CC4 7a_100000036585_100000742324 [1,0,0,1,0,0|1,0,1]=4 96 B23R4.1541467 C1=Cc2ccccc2C(c3c1cccc3)OCC4CO4 7a_100000036585_102125554688 [1,0,0,1,0,0|1,0,1]=4 97 B23R4.1541467 C1=Cc2ccccc2C(c3c1cccc3)OCC4CS4 7a_100000036585_100000031435 [1,0,0,1,0,0|1,0,1]=4 98 B23R4.1541467 C1=Cc2ccccc2C(c3c1cccc3)OC[C@@H]4CO4 7a_100000036585_100000745022 [1,0,0,1,0,0|1,0,1]=4 99 B23R4.1541468 C1=Cc2ccccc2C(c3c1cccc3)OC4COC4 7a_100000036585_100009818527 [1,0,0,1,0,0|1,0,1]=4 100 B23R4.1541705 c1ccc2c(c3ccccc3cc2c1)COCC4CC4 34a_100000025838_100000742324 [0,0,0,1,1,0|2,0,0]=4 101 B23R4.1541705 c1ccc2c(c3ccccc3cc2c1)COCC4CC4 34a_100000211283_100009992879 [0,0,0,1,1,0|2,0,0]=4 102 B23R4.1541705 c1ccc2c(c3ccccc3cc2c1)COCC4CC4 7a_100000025838_100000742324 [0,0,0,1,1,0|2,0,0]=4 103 B23R4.1541705 c1ccc2c(c3ccccc3cc2c1)COCC4CO4 34a_100000025838_102125554688 [0,0,0,1,1,0|2,0,0]=4 104 B23R4.1541705 c1ccc2c(c3ccccc3cc2c1)COCC4CO4 7a_100000025838_102125554688 [0,0,0,1,1,0|2,0,0]=4 105 B23R4.1541705 c1ccc2c(c3ccccc3cc2c1)COCC4CS4 7a_100000025838_100000031435 [0,0,0,1,1,0|2,0,0]=4 106 B23R4.1541705 c1ccc2c(c3ccccc3cc2c1)COC[C@@H]4CO4 34a_100000757423_100009992879 [0,0,0,1,1,0|2,0,0]=4 107 B23R4.1541705 c1ccc2c(c3ccccc3cc2c1)COC[C@@H]4CO4 7a_100000025838_100000745022 [0,0,0,1,1,0|2,0,0]=4 108 B23R4.1541706 c1ccc2c(c3ccccc3cc2c1)COC4COC4 34a_100000025838_100009818527 [0,0,0,1,1,0|2,0,0]=4 109 B23R4.1541706 c1ccc2c(c3ccccc3cc2c1)COC4COC4 7a_100000025838_100009818527 [0,0,0,1,1,0|2,0,0]=4 110 B23R4.1541706 c1ccc2c(c3ccccc3cc2c1)COC4CSC4 7a_100000072292_100009992879 [0,0,0,1,1,0|2,0,0]=4