0  B31R3.8025551515  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OCC#CCO)I 7a_100000053563_200000047223 [0,0,0,0,0,0|2,0,1]=3
1  B30R3.10817516561  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OCCCO)I 7a_100000053563_100011215043 [1,0,0,0,0,0|1,0,0]=2
2  B29R3.145396762  CCC#CCOc1ccc(cc1)C(=O)c2c(oc3c2cccc3)CCCC 7a_100000031414_100009813939 [2,0,0,0,0,0|1,0,1]=4
3  B29R3.145396762  CCCCc1oc2ccccc2c1C(=O)c3ccc(cc3)OCCCCO 7a_100000031414_100000210776 [2,0,0,0,0,0|2,0,0]=4
4  B29R3.145396762  CCCCc1oc2ccccc2c1C(=O)c3ccc(cc3)OCCCOC 7a_100000031414_100000740836 [2,0,0,0,0,0|2,0,0]=4
5  B29R3.145396762  CCCCc1oc2ccccc2c1C(=O)c3ccc(cc3)OCCOCC 7a_100000031414_100011215890 [2,0,0,0,0,0|1,0,0]=3
6  B29R3.5642847725  CCOCCOc1c(cc(cc1I)C(=O)c2c(oc3c2cccc3)CC)I 7a_100000054909_100011215890 [2,0,0,0,0,0|1,0,0]=3
7  B29R3.5642847725  CCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OCCCCO)I 7a_100000054909_100000210776 [2,0,0,0,0,0|2,0,0]=4
8  B29R3.5642847725  CCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OCCCOC)I 7a_100000054909_100000740836 [2,0,0,0,0,0|2,0,0]=4
9  B29R3.815134048  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OCC=O)I 7a_100000053563_200015260668 [2,0,0,0,0,0|1,0,1]=4
10  B29R3.815134048  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OCCO)I 7a_100000053563_100000211926 [2,0,0,0,0,0|1,0,0]=3
11  B31R3.4398456389  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OCCC(=O)N)I 7a_100000053563_100000744528 [1,1,0,0,0,0|1,0,1]=4
12  B31R3.4398456408  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OCC(=O)NC)I 7a_100000053563_100000183359 [1,1,0,0,0,0|0,0,1]=3
13  B31R3.4398456408  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OCC(=O)OC)I 7a_100000053563_100000747449 [1,1,0,0,0,0|1,0,1]=4
14  B31R3.4398456408  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OCC(O)CO)I 7a_100000053563_100011219619 [1,1,0,0,0,0|1,0,0]=3
15  B31R3.4398456408  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OC[C@@H](O)CF)I 7a_100000053563_100015614560 [1,1,0,0,0,0|1,0,0]=3
16  B31R3.4398456408  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OC[C@@H](O)CO)I 7a_100000053563_100009815848 [1,1,0,0,0,0|1,0,0]=3
17  B31R4.878559013  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OCC4CO4)I 7a_100000053563_102125554688 [1,0,0,1,0,0|1,0,0]=3
18  B31R4.878559013  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OC[C@@H]4CO4)I 7a_100000053563_100000745022 [1,0,0,1,0,0|1,0,0]=3
19  B31R4.878559014  CCCCc1oc2ccccc2c1C(=O)c3cc(c(c(c3)I)OC4COC4)I 7a_100000053563_100009818527 [1,0,0,1,0,0|1,0,0]=3