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342956393 /nfs/dbraw/zinc/95/63/93/342956393.db2.gz SECAQUZEXAHWBA-VIFPVBQESA-N 0 0 146.233 3.126 40 0 AGABRN CCC1(C)COC2(CCCCC2)OC1 1670817 342956416 /nfs/dbraw/zinc/95/64/16/342956416.db2.gz MOSSEOLAKGDPIY-UHFFFAOYSA-N 0 0 198.306 3.110 40 0 AGABRN Oc1ccc(CCc2ccccc2)cc1 1670949 342956429 /nfs/dbraw/zinc/95/64/29/342956429.db2.gz YTLSTADDHMJUMW-UHFFFAOYSA-N 0 0 198.265 3.177 40 0 in-vitro AGABRN CC(C)[C@@H]1C=Cc2ccccc21 1670984 342956477 /nfs/dbraw/zinc/95/64/77/342956477.db2.gz VTACPFVLSHWTGG-NSHDSACASA-N 0 0 158.244 3.453 40 0 AGABRN C1CCC(C2CCCC2)C1 1670986 342956525 /nfs/dbraw/zinc/95/65/25/342956525.db2.gz MAWOHFOSAIXURX-UHFFFAOYSA-N 0 0 138.254 3.367 40 0 in-vitro AGABRN CCC(CC)Cc1cccnc1 1675445 342957088 /nfs/dbraw/zinc/95/70/88/342957088.db2.gz LELPIZNVPAYWSF-UHFFFAOYSA-N 0 0 163.264 3.060 40 0 AGABRN CCCC1(C)COC2(CCCC2)OC1 1677492 342957151 /nfs/dbraw/zinc/95/71/51/342957151.db2.gz LVDKNGSGGFWIIL-UHFFFAOYSA-N 0 0 198.306 3.110 40 0 AGABRN CCCCC[C@]1(C)OCC[C@@H](C)O1 1677959 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endogenous,in-man AGABRN CCCCCCOC(=O)c1ccco1 1850470 342965177 /nfs/dbraw/zinc/96/51/77/342965177.db2.gz KMLFVAGUWNPADU-UHFFFAOYSA-N 0 0 196.246 3.017 40 0 endogenous,in-man AGABRN C[C@]12CC[C@H](CC1(Cl)Cl)C2 1854910 342965325 /nfs/dbraw/zinc/96/53/25/342965325.db2.gz KEBQSKUALBYPQJ-NKWVEPMBSA-N 0 0 179.090 3.370 40 0 AGABRN CC[C@H](C)C1CCC(OC(C)=O)CC1 1866918 342965459 /nfs/dbraw/zinc/96/54/59/342965459.db2.gz MTAVLVUHWXNUTH-GCVQQVDUSA-N 0 0 198.306 3.154 40 0 AGABRN Cc1cc(C)c(C)c(Br)c1 1872783 342965485 /nfs/dbraw/zinc/96/54/85/342965485.db2.gz MYEVSXDYOWNOPS-UHFFFAOYSA-N 0 0 199.091 3.374 40 0 AGABRN CCCCCC(=O)OC(CC)CC 1867005 342965490 /nfs/dbraw/zinc/96/54/90/342965490.db2.gz JUEZMAWWHGUFNG-UHFFFAOYSA-N 0 0 186.295 3.299 40 0 AGABRN C[C@H]1C[C@@H](C)CC2=C1CCCO2 1868560 342965690 /nfs/dbraw/zinc/96/56/90/342965690.db2.gz NEBZURVUZFLFCA-BDAKNGLRSA-N 0 0 166.264 3.117 40 0 AGABRN CCCCCS(=O)CCCCC 1995078 342965868 /nfs/dbraw/zinc/96/58/68/342965868.db2.gz LAAFGFCPKSXKEM-UHFFFAOYSA-N 0 0 190.352 3.116 40 0 AGABRN CCCC/C=C/CCCCOC(C)=O 1996277 342965921 /nfs/dbraw/zinc/96/59/21/342965921.db2.gz VTUFOIHYMMMNOM-VOTSOKGWSA-N 0 0 198.306 3.466 40 0 in-vitro AGABRN CCc1ccc(C)cc1CC 2013416 342966438 /nfs/dbraw/zinc/96/64/38/342966438.db2.gz MJQJAQGFUBIGIK-UHFFFAOYSA-N 0 0 148.249 3.120 40 0 AGABRN CC[C@H](O)c1ccccc1C(C)C 2032992 342967443 /nfs/dbraw/zinc/96/74/43/342967443.db2.gz AXTAHZUINHMAJB-LBPRGKRZSA-N 0 0 178.275 3.253 40 0 AGABRN CC[C@@H](O)c1ccccc1C(C)C 2032994 342967709 /nfs/dbraw/zinc/96/77/09/342967709.db2.gz AXTAHZUINHMAJB-GFCCVEGCSA-N 0 0 178.275 3.253 40 0 AGABRN CCc1cccc(C(C)C)c1 2037515 342968215 /nfs/dbraw/zinc/96/82/15/342968215.db2.gz GSLSBTNLESMZTN-UHFFFAOYSA-N 0 0 148.249 3.372 40 0 AGABRN CC[C@@H]1CCc2ccccc21 2037551 342968315 /nfs/dbraw/zinc/96/83/15/342968315.db2.gz SECAQUZEXAHWBA-SECBINFHSA-N 0 0 146.233 3.126 40 0 AGABRN CC[C@H](C)C[C@@H](C)CC 2040177 342968669 /nfs/dbraw/zinc/96/86/69/342968669.db2.gz DZJTZGHZAWTWGA-IUCAKERBSA-N 0 0 128.259 3.469 40 0 AGABRN CC(C)[C@@H](C)C(C)(C)C 2039807 342968705 /nfs/dbraw/zinc/96/87/05/342968705.db2.gz VZFMYOCAEQDWDY-MRVPVSSYSA-N 0 0 128.259 3.325 40 0 endogenous,in-man AGABRN CC[C@H](CC(C)C)C(=O)OC(C)C 2042424 342968886 /nfs/dbraw/zinc/96/88/86/342968886.db2.gz UOQLOXAFGSFQEK-SNVBAGLBSA-N 0 0 186.295 3.010 40 0 AGABRN CC(C)[C@H]1C=Cc2ccccc21 2043238 342968972 /nfs/dbraw/zinc/96/89/72/342968972.db2.gz VTACPFVLSHWTGG-LLVKDONJSA-N 0 0 158.244 3.453 40 0 AGABRN CC[C@@H](SC)C(=O)c1ccccc1 2041555 342969064 /nfs/dbraw/zinc/96/90/64/342969064.db2.gz DNTIOSKYOIIKGM-SNVBAGLBSA-N 0 0 194.299 3.011 40 0 AGABRN Cc1ccc(O)c([C@@H]2C=CCC2)c1 2044238 342969297 /nfs/dbraw/zinc/96/92/97/342969297.db2.gz QRXFMXZJSRXUFB-SNVBAGLBSA-N 0 0 174.243 3.134 40 0 AGABRN CC[C@H](C)OCc1ccccc1 2045260 342969380 /nfs/dbraw/zinc/96/93/80/342969380.db2.gz LCQVWUUQYVVDLN-JTQLQIEISA-N 0 0 164.248 3.002 40 0 AGABRN CC[C@H]1C=Cc2ccccc21 2043979 342969392 /nfs/dbraw/zinc/96/93/92/342969392.db2.gz IEKPDJDYFASRFB-VIFPVBQESA-N 0 0 144.217 3.207 40 0 AGABRN CCCCC(=O)O[C@@H](C)CCCC 2046103 342969441 /nfs/dbraw/zinc/96/94/41/342969441.db2.gz ZTFOJUWOBGLQSG-JTQLQIEISA-N 0 0 186.295 3.299 40 0 AGABRN CC1=C[C@@H](C)[C@H]2CO[C@H](C(C)C)[C@@H]1C2 2138384 342969780 /nfs/dbraw/zinc/96/97/80/342969780.db2.gz KWFNXHGFKQKQNM-OJAKKHQRSA-N 0 0 194.318 3.260 40 0 biogenic AGABRN CCC(=O)O[C@@H](CC)c1ccccc1 2048609 342969811 /nfs/dbraw/zinc/96/98/11/342969811.db2.gz UASJQYHJNWDKCT-NSHDSACASA-N 0 0 192.258 3.091 40 0 AGABRN CC1=C[C@@H](C)[C@H]2CO[C@@H](C(C)C)[C@@H]1C2 2138382 342969812 /nfs/dbraw/zinc/96/98/12/342969812.db2.gz KWFNXHGFKQKQNM-JHEVNIALSA-N 0 0 194.318 3.260 40 0 biogenic AGABRN CCCCCC(=O)[C@@H](C)CC 2167278 342970482 /nfs/dbraw/zinc/97/04/82/342970482.db2.gz SAXOGZBJENMQMR-VIFPVBQESA-N 0 0 156.269 3.182 40 0 in-vitro AGABRN CC1=CC(C)(C)Oc2ccccc21 2173746 342970786 /nfs/dbraw/zinc/97/07/86/342970786.db2.gz AYIMZUACXYLOTJ-UHFFFAOYSA-N 0 0 174.243 3.261 40 0 AGABRN CC1C(C)C(C)C(C)C1C 2169551 342970872 /nfs/dbraw/zinc/97/08/72/342970872.db2.gz ZXVVIKMMTCNHIH-UHFFFAOYSA-N 0 0 140.270 3.181 40 0 AGABRN CC[C@H](C)Cc1ccccc1 2170155 342970881 /nfs/dbraw/zinc/97/08/81/342970881.db2.gz IFDLFCDWOFLKEB-JTQLQIEISA-N 0 0 148.249 3.275 40 0 AGABRN CCC1(Cl)CCCCC1 2170637 342970932 /nfs/dbraw/zinc/97/09/32/342970932.db2.gz UHVWECHVTHLPMP-UHFFFAOYSA-N 0 0 146.661 3.338 40 0 AGABRN CCCCCC(=O)OCC=C(C)C 2384588 342971796 /nfs/dbraw/zinc/97/17/96/342971796.db2.gz MUVXQQVJNUBWPF-UHFFFAOYSA-N 0 0 184.279 3.076 40 0 endogenous,in-man AGABRN Cc1c[nH]c2cc(C(F)(F)F)ccc12 2384080 342971894 /nfs/dbraw/zinc/97/18/94/342971894.db2.gz ILZTWXURGRBKKI-UHFFFAOYSA-N 0 0 199.175 3.495 40 0 AGABRN CCCCC1=CCCC1 2528238 342974658 /nfs/dbraw/zinc/97/46/58/342974658.db2.gz MHIRRFYTMFZXHD-UHFFFAOYSA-N 0 0 124.227 3.287 40 0 AGABRN CCCCNc1ccc(C)cc1 2390517 342972210 /nfs/dbraw/zinc/97/22/10/342972210.db2.gz FPHFMZTUFVNDQL-UHFFFAOYSA-N 0 0 163.264 3.207 40 0 AGABRN CCCCCCSCC 2389877 342972396 /nfs/dbraw/zinc/97/23/96/342972396.db2.gz MGVUJBCOCITTRS-UHFFFAOYSA-N 0 0 146.299 3.320 40 0 AGABRN CC1(C)CCC(C)(C)C1 2507838 342972982 /nfs/dbraw/zinc/97/29/82/342972982.db2.gz YWYCGTZNHWYQBD-UHFFFAOYSA-N 0 0 126.243 3.223 40 0 AGABRN CC/C=C/C1CCCC1 2507839 342973035 /nfs/dbraw/zinc/97/30/35/342973035.db2.gz VBTJJCNOBRVHLY-ZZXKWVIFSA-N 0 0 124.227 3.143 40 0 AGABRN CC=C1CCCCCC1 2508022 342973048 /nfs/dbraw/zinc/97/30/48/342973048.db2.gz MLFGNFYXTYMGAT-UHFFFAOYSA-N 0 0 124.227 3.287 40 0 AGABRN Cc1cc(Cl)c(Cl)cc1F 2512496 342973486 /nfs/dbraw/zinc/97/34/86/342973486.db2.gz KTALPDCZIOJQOW-UHFFFAOYSA-N 0 0 179.021 3.441 40 0 AGABRN CCC=C(CC)CC 2522766 342974287 /nfs/dbraw/zinc/97/42/87/342974287.db2.gz AUJLDZJNMXNESO-UHFFFAOYSA-N 0 0 112.216 3.143 40 0 in-vitro AGABRN CC[C@](C)(Cl)CC(C)C 2528223 342974663 /nfs/dbraw/zinc/97/46/63/342974663.db2.gz SYKUKUWLGOVGGT-QMMMGPOBSA-N 0 0 148.677 3.440 40 0 AGABRN C[C@H]1[C@H]2CC[C@H](C2)C1(C)C 2528265 342974674 /nfs/dbraw/zinc/97/46/74/342974674.db2.gz XETQTCAMTVHYPO-XHNCKOQMSA-N 0 0 138.254 3.079 40 0 AGABRN C[C@H]1CC(C)(C)C[C@H]1C 2528235 342974677 /nfs/dbraw/zinc/97/46/77/342974677.db2.gz OWHFMVURUNNXMJ-OCAPTIKFSA-N 0 0 126.243 3.079 40 0 AGABRN CCCCOCCC(F)=C(F)F 2530677 342974715 /nfs/dbraw/zinc/97/47/15/342974715.db2.gz IZMDRNLSDAZWHH-UHFFFAOYSA-N 0 0 182.185 3.271 40 0 AGABRN CC1=CC(C)(C)c2ccccc21 2528288 342974757 /nfs/dbraw/zinc/97/47/57/342974757.db2.gz GFQUBQQRVARIRW-UHFFFAOYSA-N 0 0 158.244 3.381 40 0 AGABRN CCCC/C=C/C(F)(F)F 2530945 342974983 /nfs/dbraw/zinc/97/49/83/342974983.db2.gz QRILSXJWCCVOIT-AATRIKPKSA-N 0 0 152.159 3.295 40 0 AGABRN C[C@H]1CC(C)(C)C[C@@H]1C 2545190 342975684 /nfs/dbraw/zinc/97/56/84/342975684.db2.gz OWHFMVURUNNXMJ-YUMQZZPRSA-N 0 0 126.243 3.079 40 0 AGABRN Cc1ccc([C@H]2CC2(F)F)cc1 2540261 342975864 /nfs/dbraw/zinc/97/58/64/342975864.db2.gz VCYGRUJYOJHIQL-SECBINFHSA-N 0 0 168.186 3.118 40 0 AGABRN Cc1cc(F)cc(C)c1Cl 2540182 342975870 /nfs/dbraw/zinc/97/58/70/342975870.db2.gz MVJOCJGXPDHQEN-UHFFFAOYSA-N 0 0 158.603 3.096 40 0 AGABRN CC/C(C)=C/C(C)(C)C 2563448 342976856 /nfs/dbraw/zinc/97/68/56/342976856.db2.gz DPFRBPJIKDMNCN-BQYQJAHWSA-N 0 0 126.243 3.389 40 0 AGABRN CC/C(C)=C/c1ccccc1 2563447 342976911 /nfs/dbraw/zinc/97/69/11/342976911.db2.gz OQYUFQVPURDFKC-MDZDMXLPSA-N 0 0 146.233 3.500 40 0 AGABRN Cc1ccc2c(C)cc(C)nc2c1 2564338 342977197 /nfs/dbraw/zinc/97/71/97/342977197.db2.gz BRKHLPFAYUUDQC-UHFFFAOYSA-N 0 0 171.243 3.160 40 0 AGABRN Cc1cc(C)c2c(C)ccc(C)c2n1 2564326 342977218 /nfs/dbraw/zinc/97/72/18/342977218.db2.gz NIBUUXBVSUJONT-UHFFFAOYSA-N 0 0 185.270 3.468 40 0 AGABRN Cc1cc(C)c2cc(C)c(C)cc2n1 2564339 342977278 /nfs/dbraw/zinc/97/72/78/342977278.db2.gz ATWTWGXHWNHOCR-UHFFFAOYSA-N 0 0 185.270 3.468 40 0 AGABRN Cc1cc(C)c2c(C)cc(C)nc2c1 2564379 342977379 /nfs/dbraw/zinc/97/73/79/342977379.db2.gz ZPACXIZJJYOIPN-UHFFFAOYSA-N 0 0 185.270 3.468 40 0 AGABRN Cc1cc(C)c2ccc(C)c(C)c2n1 2564308 342977396 /nfs/dbraw/zinc/97/73/96/342977396.db2.gz LHZGWAWYQCKEQZ-UHFFFAOYSA-N 0 0 185.270 3.468 40 0 AGABRN CCCCC[C@H]1C(=O)CC[C@@H]1C 2572268 342978142 /nfs/dbraw/zinc/97/81/42/342978142.db2.gz ZISGOYMWXFOWAM-VHSXEESVSA-N 0 0 168.280 3.182 40 0 AGABRN Cc1ccc(N2[C@@H](C)CC[C@@H]2C)cc1 2575720 342978393 /nfs/dbraw/zinc/97/83/93/342978393.db2.gz OHIJQLBIZQGOKQ-RYUDHWBXSA-N 0 0 189.302 3.372 40 0 AGABRN Cc1ccc(C)n1Cc1cccs1 2616118 342979294 /nfs/dbraw/zinc/97/92/94/342979294.db2.gz IYEUTQOJCZOHKT-UHFFFAOYSA-N 0 0 191.299 3.215 40 0 AGABRN CC[C@H](C)n1c(C)ccc1C 3123627 342981172 /nfs/dbraw/zinc/98/11/72/342981172.db2.gz OCHWMCOTLFBHFS-QMMMGPOBSA-N 0 0 151.253 3.076 40 0 AGABRN C[C@H]1C=C[C@H]2c3ccccc3O[C@@]12C 3177881 342981480 /nfs/dbraw/zinc/98/14/80/342981480.db2.gz GPYVCGFOYDNRIE-GAFUQQFSSA-N 0 0 186.254 3.127 40 0 AGABRN Cc1cc(C)c(C)c(N=O)c1C 3847091 342984611 /nfs/dbraw/zinc/98/46/11/342984611.db2.gz UDOPFAXNNPAWQS-UHFFFAOYSA-N 0 0 163.220 3.318 40 0 AGABRN CC[C@@](C)(OC)c1ccc(C)cc1 3846239 342984614 /nfs/dbraw/zinc/98/46/14/342984614.db2.gz IEJGBLWKIGEYRD-GFCCVEGCSA-N 0 0 178.275 3.267 40 0 AGABRN CCC(=O)[C@H]1C[C@@]2(C)CC[C@@H]1C2(C)C 3846342 342984630 /nfs/dbraw/zinc/98/46/30/342984630.db2.gz AXUJIBUIVAMGGL-OUJBWJOFSA-N 0 0 194.318 3.428 40 0 AGABRN CC[C@]1(O)C[C@H](C(C)C)CC[C@@H]1C 3846054 342984672 /nfs/dbraw/zinc/98/46/72/342984672.db2.gz FYXDEQMOXSLBQT-TUAOUCFPSA-N 0 0 184.323 3.220 40 0 AGABRN CC[C@@]1(C)CCCC(C)(C)O1 3846248 342984712 /nfs/dbraw/zinc/98/47/12/342984712.db2.gz JDKRLJFUBFYERJ-JTQLQIEISA-N 0 0 156.269 3.134 40 0 AGABRN CC[C@](C)(OC)c1ccc(C)cc1 3846238 342984759 /nfs/dbraw/zinc/98/47/59/342984759.db2.gz IEJGBLWKIGEYRD-LBPRGKRZSA-N 0 0 178.275 3.267 40 0 AGABRN Cc1cc2cc3cc(C)[nH]c3cc2[nH]1 3844543 342984823 /nfs/dbraw/zinc/98/48/23/342984823.db2.gz NWUQXITYHVMQBX-UHFFFAOYSA-N 0 0 184.242 3.266 40 0 AGABRN CC[C@]1(C)CCCC(C)(C)O1 3846247 342984842 /nfs/dbraw/zinc/98/48/42/342984842.db2.gz JDKRLJFUBFYERJ-SNVBAGLBSA-N 0 0 156.269 3.134 40 0 AGABRN CCc1c(C)[nH]c2ccccc12 3847694 342985011 /nfs/dbraw/zinc/98/50/11/342985011.db2.gz UTFUFZSBOJRSGN-UHFFFAOYSA-N 0 0 159.232 3.039 40 0 AGABRN Cc1n[nH]c(C)c1/C=C/c1ccccc1 3848363 342985105 /nfs/dbraw/zinc/98/51/05/342985105.db2.gz MUURUGWYRINRNA-CMDGGOBGSA-N 0 0 198.269 3.197 40 0 AGABRN Cc1c(C)c(C)c2c(c1C)CCC2=O 3847994 342985165 /nfs/dbraw/zinc/98/51/65/342985165.db2.gz OSPFVPPFODDSDS-UHFFFAOYSA-N 0 0 188.270 3.049 40 0 AGABRN C[C@H]1CCC[C@@]2(C)CCCC[C@]12O 3870304 342985359 /nfs/dbraw/zinc/98/53/59/342985359.db2.gz JLPUXFOGCDVKGO-TUAOUCFPSA-N 0 0 182.307 3.118 40 0 in-man,metabolite AGABRN CC1=CC[C@H]2CO[C@@H](C(C)C)[C@@H]1C2 4024526 342986474 /nfs/dbraw/zinc/98/64/74/342986474.db2.gz ZHCWTUUWRMGFHD-UTUOFQBUSA-N 0 0 180.291 3.014 40 0 biogenic AGABRN Cc1cc2ccc3ncccc3c2[nH]1 3999956 342986478 /nfs/dbraw/zinc/98/64/78/342986478.db2.gz DSDWWQYASMFDDP-UHFFFAOYSA-N 0 0 182.226 3.025 40 0 biogenic AGABRN C[C@H]1C=C[C@H]2c3ccccc3O[C@]12C 4024317 342986534 /nfs/dbraw/zinc/98/65/34/342986534.db2.gz GPYVCGFOYDNRIE-XHVZSJERSA-N 0 0 186.254 3.127 40 0 AGABRN CC1=CC[C@@H]2C[C@H]1[C@@H](C)OC2(C)C 4027104 342986540 /nfs/dbraw/zinc/98/65/40/342986540.db2.gz CBQGOGNKLHCXDV-GMTAPVOTSA-N 0 0 180.291 3.156 40 0 biogenic AGABRN CC1=CC[C@@H]2C[C@H]1[C@H](C)OC2(C)C 4027105 342986616 /nfs/dbraw/zinc/98/66/16/342986616.db2.gz CBQGOGNKLHCXDV-HBNTYKKESA-N 0 0 180.291 3.156 40 0 biogenic AGABRN CC1=CC[C@H]2CO[C@H](C(C)C)[C@@H]1C2 4024527 342986661 /nfs/dbraw/zinc/98/66/61/342986661.db2.gz ZHCWTUUWRMGFHD-IJLUTSLNSA-N 0 0 180.291 3.014 40 0 biogenic AGABRN C[C@H]1C=C[C@@H]2c3ccccc3O[C@]12C 4024319 342986748 /nfs/dbraw/zinc/98/67/48/342986748.db2.gz GPYVCGFOYDNRIE-UFGOTCBOSA-N 0 0 186.254 3.127 40 0 AGABRN Cc1ccc(N2[C@H](C)CC[C@H]2C)cc1 4244732 342989834 /nfs/dbraw/zinc/98/98/34/342989834.db2.gz OHIJQLBIZQGOKQ-VXGBXAGGSA-N 0 0 189.302 3.372 40 0 AGABRN C(=NNc1ccccc1)c1ccccc1 4293628 342990060 /nfs/dbraw/zinc/99/00/60/342990060.db2.gz 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CCCCC[C@@]1(C)OCC[C@H](C)O1 4705633 342994300 /nfs/dbraw/zinc/99/43/00/342994300.db2.gz SQOUCGMOYCMFJZ-QWRGUYRKSA-N 0 0 186.295 3.108 40 0 AGABRN Cc1cc(Cl)c2c(c1)C(=O)[C@H](C)C2 4722530 342994458 /nfs/dbraw/zinc/99/44/58/342994458.db2.gz OPKMRRZOQIMLGD-SSDOTTSWSA-N 0 0 194.661 3.023 40 0 AGABRN C[C@H]1OC2(CCCCC2)OCC1(C)C 4777816 342995420 /nfs/dbraw/zinc/99/54/20/342995420.db2.gz AFUMZLFHHZGXGG-SNVBAGLBSA-N 0 0 198.306 3.108 40 0 AGABRN C[C@H]1CC=C2C[C@H](O)CC[C@]2(C)[C@@H]1C 5014727 342998177 /nfs/dbraw/zinc/99/81/77/342998177.db2.gz YYLHWDZLSYWUAF-XKAARJIMSA-N 0 0 194.318 3.140 40 0 AGABRN C[C@H]1CC=C2C[C@@H](O)CC[C@]2(C)[C@@H]1C 5014729 342998269 /nfs/dbraw/zinc/99/82/69/342998269.db2.gz YYLHWDZLSYWUAF-JULQROHOSA-N 0 0 194.318 3.140 40 0 AGABRN CCCCSC1=NCCCS1 5048893 342998292 /nfs/dbraw/zinc/99/82/92/342998292.db2.gz ZJRKXQLOQNTBCY-UHFFFAOYSA-N 0 0 189.349 3.013 40 0 AGABRN Cc1ccnc2cc(Cl)ccc12 5161422 342999610 /nfs/dbraw/zinc/99/96/10/342999610.db2.gz OUFGWFRCXZIEPM-UHFFFAOYSA-N 0 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