0 B22R3.12627361 C/C=C/CSC1c2ccccc2CCc3c1cccc3 62a_100102629194_100000031795 [0,0,0,0,0,0|2,0,2]=4 1 B22R3.12627361 C=CCCSC1c2ccccc2CCc3c1cccc3 62a_100000754431_100000031795 [0,0,0,0,0,0|2,0,2]=4 2 B22R3.12627361 CC=CCSC1c2ccccc2CCc3c1cccc3 62a_100000070051_100000031795 [0,0,0,0,0,0|2,0,2]=4 3 B22R3.12627361 CCCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000210211 [0,0,0,0,0,0|3,0,1]=4 4 B22R3.12627361 CCCCSC1c2ccccc2CCc3c1cccc3 62a_100000210211_100000031795 [0,0,0,0,0,0|2,0,1]=3 5 B21R3.590114 CCCSC1c2ccccc2CCc3c1cccc3 62a_100000210303_100000031795 [1,0,0,0,0,0|1,0,1]=3 6 B23R3.21774393 CCCC(C)OC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000766640 [0,1,0,0,0,0|2,0,1]=4 7 B23R3.21774393 CCCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000766640 [0,1,0,0,0,0|2,0,1]=4 8 B23R3.21774393 CCCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000764384_100000031795 [0,1,0,0,0,0|2,0,1]=4 9 B23R3.21774393 CCCC(C)SC1c2ccccc2CCc3c1cccc3 62a_100000766640_100000031795 [0,1,0,0,0,0|2,0,1]=4 10 B23R3.24909647 CCC(C)CSC1c2ccccc2CCc3c1cccc3 62a_100000748023_100000031795 [0,1,0,0,0,0|2,0,1]=4 11 B23R3.24909647 CC[C@H](C)CSC1c2ccccc2CCc3c1cccc3 62a_100009816398_100000031795 [0,1,0,0,0,0|2,0,1]=4 12 B23R3.25657126 CCCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000718602 [0,1,0,0,0,0|1,0,2]=4 13 B23R3.25657126 CCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210326 [0,1,0,0,0,0|1,0,2]=4 14 B23R3.25657126 CCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000210253_100000031795 [0,1,0,0,0,0|1,0,2]=4 15 B23R3.25657126 CCCCCSC1c2ccccc2CCc3c1cccc3 62a_100000210326_100000031795 [0,1,0,0,0,0|1,0,2]=4 16 B23R3.25657126 CCSCCSC1c2ccccc2CCc3c1cccc3 62a_100000757381_100000031795 [0,1,0,0,0,0|2,0,1]=4 17 B23R3.25657126 FCCCCSC1c2ccccc2CCc3c1cccc3 62a_100000729493_100000031795 [0,1,0,0,0,0|2,0,1]=4 18 B23R3.26139327 C=C(C)CCSC1c2ccccc2CCc3c1cccc3 62a_100000730704_100000031795 [0,1,0,0,0,0|2,0,1]=4 19 B23R3.26139327 CC(C)CCSC1c2ccccc2CCc3c1cccc3 62a_100000210312_100000031795 [0,1,0,0,0,0|2,0,1]=4 20 B21R2.14087 CCCCC=Cc1ccccc1C#Cc2ccccc2 271570a_100016275911_100010200916 [0,0,1,0,0,0|1,0,2]=4 21 B21R2.14087 CCCCC=Cc1ccccc1OCc2ccccc2 271570a_100016275911_100000151716 [0,0,1,0,0,0|2,0,0]=3 22 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2SCC4CC4 62a_100000756562_100000031795 [0,0,0,1,0,0|2,0,1]=4 23 B21R3.8069667 CCCC=Cc1c2ccccc2cc3c1cccc3 271570a_100016258520_100000185772 [0,0,0,0,1,0|1,0,2]=4 24 B21R3.8069667 CCCC=Cc1c2ccccc2nc3c1cccc3 271570a_100016258520_100000044299 [0,0,0,0,1,0|2,0,1]=4 25 B21R3.8069667 CCCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000210210 [0,0,0,0,1,0|2,0,1]=4 26 B21R3.8069667 CCCCSc1c2ccccc2cc3c1cccc3 62a_100000210211_100000185772 [0,0,0,0,1,0|2,0,1]=4 27 B21R3.8069667 CCCCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000210210 [0,0,0,0,1,0|3,0,0]=4 28 B21R3.8069667 CSCCSc1c2ccccc2cc3c1cccc3 62a_100000212216_100000185772 [0,0,0,0,1,0|2,0,1]=4 29 B20R2.3566 CCCC=Cc1ccccc1OCc2ccccc2 271570a_100016258520_100000151716 [1,0,1,0,0,0|1,0,0]=3 30 B22R2.1877 CCCCCC(=O)c1ccccc1CCc2ccccc2 1458a_100000610640_100000210326 [0,1,1,0,0,0|1,0,1]=4 31 B22R2.8330 CCCCC=Cc1cc(ccc1OCc2ccccc2)C 271570a_100016275911_100000151733 [0,1,1,0,0,0|2,0,0]=4 32 B22R2.8330 CCCCC=Cc1cc(ccc1OCc2ccccc2)F 271570a_100016275911_200000151671 [0,1,1,0,0,0|2,0,0]=4 33 B22R2.16649 CCCCC=Cc1ccccc1OCc2ccc(cc2)F 271570a_100016275911_200000151720 [0,1,1,0,0,0|2,0,0]=4 34 B22R2.26026 CCCCC=Cc1ccc(cc1OCc2ccccc2)F 271570a_100016275911_100012355265 [0,1,1,0,0,0|2,0,0]=4 35 B22R2.26331 CCCCCC=Cc1ccccc1OCc2ccccc2 271570a_100000062253_100000151716 [0,1,1,0,0,0|2,0,0]=4 36 B22R2.191292 CCCCC=Cc1ccccc1OCc2ccccc2C 271570a_100016275911_100000151724 [0,1,1,0,0,0|2,0,0]=4 37 B22R3.12307660 CC(C)CSC1c2ccccc2CCc3c1cccc3 62a_100000210624_100000031795 [1,1,0,0,0,0|1,0,1]=4 38 B22R3.15879546 CCC(C)SC1c2ccccc2CCc3c1cccc3 62a_100000758301_100000031795 [1,1,0,0,0,0|1,0,1]=4 39 B22R3.2033379 CCCCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000210211 [0,1,0,0,1,0|1,0,1]=4 40 B22R3.15927150 CCCCC=Cc1c2ccccc2nc3c1cccc3 271570a_100016275911_100000044299 [0,1,0,0,1,0|2,0,0]=4 41 B22R3.3704 C1=C(CCCC1)c2ccccc2OCc3ccccc3 271570a_100000062251_100000151716 [0,0,1,1,0,0|2,0,0]=4 42 B22R3.74185 C(=C1CCCC1)c2ccccc2OCc3ccccc3 271570a_100010378317_100000151716 [0,0,1,1,0,0|2,0,0]=4 43 B20R2.16905 CCCCC=Cc1ccccc1Cc2ccccc2 271570a_100016275911_200011216382 [0,0,1,0,1,0|1,0,0]=3 44 B20R2.16905 CCCCC=Cc1ccccc1Oc2ccccc2 271570a_100016275911_100000049502 [0,0,1,0,1,0|2,0,0]=4 45 B20R3.368533 CCCCc1c2ccccc2cc3c1cccc3 271570a_100020621405_100000185772 [1,0,0,0,1,0|0,0,2]=4 46 B20R3.368533 CCCSc1c2ccccc2cc3c1cccc3 62a_100000210303_100000185772 [1,0,0,0,1,0|1,0,1]=4 47 B22R2.8833 CCCCC=Cc1ccccc1CNCc2ccccc2 271570a_100016275911_200000195884 [0,0,1,0,0,1|1,0,0]=3