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CC1CCC(=C(Cl)C(=O)[O-])CC1 140889111 572616572 /nfs/dbraw/zinc/61/65/72/572616572.db2.gz ZDQYZCGZQWABPJ-UHFFFAOYSA-N -1 0 188.654 2.774 10 0 AFAERM CC(C)c1cocc1[C@@H](C)C(=O)[O-] 74300961 572616738 /nfs/dbraw/zinc/61/67/38/572616738.db2.gz JMOBMAMCQJTJIF-SSDOTTSWSA-N -1 0 182.219 2.591 10 0 AFAERM CC(C)c1cocc1[C@H](C)C(=O)[O-] 74300962 572617907 /nfs/dbraw/zinc/61/79/07/572617907.db2.gz JMOBMAMCQJTJIF-ZETCQYMHSA-N -1 0 182.219 2.591 10 0 AFAERM O=C1CCCc2ccc(Cl)c([O-])c21 714112329 572618028 /nfs/dbraw/zinc/61/80/28/572618028.db2.gz WATXVAZJEYUJGD-UHFFFAOYSA-N -1 0 196.633 2.565 10 0 AFAERM CCc1ccc(CCC(=O)[O-])c(C)c1 238360670 572618228 /nfs/dbraw/zinc/61/82/28/572618228.db2.gz OUWJDKGLHWRNNQ-UHFFFAOYSA-N -1 0 192.258 2.575 10 0 AFAERM O=C([O-])C1(CCc2ccsc2)CC1 85033586 572618972 /nfs/dbraw/zinc/61/89/72/572618972.db2.gz MMYQODXGWZBMHH-UHFFFAOYSA-N -1 0 196.271 2.546 10 0 AFAERM CC[C@@H]1C[C@H](C(=O)[O-])CC[C@H]1C 251721469 572619211 /nfs/dbraw/zinc/61/92/11/572619211.db2.gz RWZGLQIISUGUOT-IWSPIJDZSA-N -1 0 170.252 2.533 10 0 AFAERM CC(C)(C)CCC1(C(=O)[O-])CC1 85033673 572619783 /nfs/dbraw/zinc/61/97/83/572619783.db2.gz MNHIZCVDLMGNST-UHFFFAOYSA-N -1 0 170.252 2.678 10 0 AFAERM C[C@H](CC(=O)[O-])[C@@H]1C[C@]1(C)C1CC1 251716166 572620391 /nfs/dbraw/zinc/62/03/91/572620391.db2.gz YSAAWBTWVJSCGC-POZPLHJXSA-N -1 0 182.263 2.533 10 0 AFAERM CCC[C@H](C)CC1(C(=O)[O-])CC1 85033574 572620795 /nfs/dbraw/zinc/62/07/95/572620795.db2.gz LCYFWPZNBAIDOD-QMMMGPOBSA-N -1 0 170.252 2.678 10 0 AFAERM C[C@H](CC(=O)[O-])[C@H]1C[C@]1(C)C1CC1 251716162 572622131 /nfs/dbraw/zinc/62/21/31/572622131.db2.gz YSAAWBTWVJSCGC-BCMRRPTOSA-N -1 0 182.263 2.533 10 0 AFAERM CCCCCCn1cccc1C(=O)[O-] 70020242 572628112 /nfs/dbraw/zinc/62/81/12/572628112.db2.gz WPYHGLKLNAJKGW-UHFFFAOYSA-N -1 0 195.262 2.767 10 0 AFAERM C[C@@H](C[C@@H]1CC[C@@H](C)C1)C(=O)[O-] 251756115 572634624 /nfs/dbraw/zinc/63/46/24/572634624.db2.gz DJTUHWQZQYWIOG-HRDYMLBCSA-N -1 0 170.252 2.533 10 0 AFAERM CC(C)/C(=C\C(=O)[O-])CC(F)(F)F 714518473 572635532 /nfs/dbraw/zinc/63/55/32/572635532.db2.gz ONCRKDSURNQEOC-UTCJRWHESA-N -1 0 196.168 2.606 10 0 AFAERM CC/C(=C/C(=O)[O-])c1ccc(C)s1 714521060 572637606 /nfs/dbraw/zinc/63/76/06/572637606.db2.gz UCWMKLQQGRCZQG-VURMDHGXSA-N -1 0 196.271 2.935 10 0 AFAERM CCCCC/C(C)=C(\F)C(=O)[O-] 87649072 572642745 /nfs/dbraw/zinc/64/27/45/572642745.db2.gz VXNNDWYTCSDCHJ-FPLPWBNLSA-N -1 0 174.215 2.895 10 0 AFAERM CCCCC[C@@]1(C)C[C@@H]1C(=O)[O-] 87649556 572643500 /nfs/dbraw/zinc/64/35/00/572643500.db2.gz XGQTZGFBWBAGFJ-SCZZXKLOSA-N -1 0 170.252 2.678 10 0 AFAERM C[C@@H](CC/C=C/C=C/Cl)C(=O)[O-] 238374609 572643589 /nfs/dbraw/zinc/64/35/89/572643589.db2.gz YKIXJVZPQXLNIG-WKHLAWKQSA-N -1 0 188.654 2.796 10 0 AFAERM CCCCC[C@]1(C)C[C@@H]1C(=O)[O-] 87649555 572643724 /nfs/dbraw/zinc/64/37/24/572643724.db2.gz XGQTZGFBWBAGFJ-PSASIEDQSA-N -1 0 170.252 2.678 10 0 AFAERM CCCCC[C@@]1(C)C[C@H]1C(=O)[O-] 87649558 572644271 /nfs/dbraw/zinc/64/42/71/572644271.db2.gz XGQTZGFBWBAGFJ-WPRPVWTQSA-N -1 0 170.252 2.678 10 0 AFAERM CCCCC[C@]1(C)C[C@H]1C(=O)[O-] 87649557 572644284 /nfs/dbraw/zinc/64/42/84/572644284.db2.gz XGQTZGFBWBAGFJ-WCBMZHEXSA-N -1 0 170.252 2.678 10 0 AFAERM CCCCC/C(C)=C(\C)C(=O)[O-] 87649071 572645371 /nfs/dbraw/zinc/64/53/71/572645371.db2.gz VRDZRFRDZMXZRC-CMDGGOBGSA-N -1 0 170.252 2.988 10 0 AFAERM C/C=C/CCC/C(=C\C)C(=O)[O-] 307852531 572648778 /nfs/dbraw/zinc/64/87/78/572648778.db2.gz ALBNCQJCGQXZHR-BMVOEDMYSA-N -1 0 168.236 2.764 10 0 AFAERM C/C=C(\C(=O)[O-])C1=CCCCC1 307852635 572649049 /nfs/dbraw/zinc/64/90/49/572649049.db2.gz AWLSPTYMWJODOO-MBXJOHMKSA-N -1 0 166.220 2.518 10 0 AFAERM CC[C@H](C)[C@H]1CCC[C@@H](C(=O)[O-])C1 252031681 572659842 /nfs/dbraw/zinc/65/98/42/572659842.db2.gz ZJQBYQHGGDQMGL-LPEHRKFASA-N -1 0 184.279 2.924 10 0 AFAERM CC[C@H](C)[C@@H]1CCC[C@@H](C(=O)[O-])C1 252031680 572659566 /nfs/dbraw/zinc/65/95/66/572659566.db2.gz ZJQBYQHGGDQMGL-IVZWLZJFSA-N -1 0 184.279 2.924 10 0 AFAERM CCC/C(C)=C\C=C\CC(=O)[O-] 307857975 572659817 /nfs/dbraw/zinc/65/98/17/572659817.db2.gz ADEWKORVMRMEJO-ADNKFJFNSA-N -1 0 168.236 2.764 10 0 AFAERM CC(C)CC(C)(C)/C=C\C(=O)[O-] 714521838 572661293 /nfs/dbraw/zinc/66/12/93/572661293.db2.gz OPTSKNFPDCCSFE-WAYWQWQTSA-N -1 0 170.252 2.700 10 0 AFAERM O=C([O-])CCC/C=C\c1ccccc1 83328119 572661544 /nfs/dbraw/zinc/66/15/44/572661544.db2.gz GPGLPAFSJGVMEH-UITAMQMPSA-N -1 0 190.242 2.955 10 0 AFAERM O=C([O-])/C(F)=C\CC1CCCC1 400179594 572662331 /nfs/dbraw/zinc/66/23/31/572662331.db2.gz QUGVWAXFMBSWMJ-SOFGYWHQSA-N -1 0 172.199 2.505 10 0 AFAERM C[C@H]1CCCC[C@@H](C)[C@@H]1C(=O)[O-] 252186101 572667401 /nfs/dbraw/zinc/66/74/01/572667401.db2.gz QVYLYHNBUCGMJO-BRPSZJMVSA-N -1 0 170.252 2.533 10 0 AFAERM Cc1ccc(C[C@@H](C)CC(=O)[O-])s1 238401241 572673239 /nfs/dbraw/zinc/67/32/39/572673239.db2.gz ABGHQEDSPAJGBE-SSDOTTSWSA-N -1 0 198.287 2.710 10 0 AFAERM C=C/C(C)=C\CC[C@H](C)C(=O)[O-] 238407066 572682902 /nfs/dbraw/zinc/68/29/02/572682902.db2.gz HUNWVRHZFYKNLR-XZLDQRQTSA-N -1 0 168.236 2.620 10 0 AFAERM CC/C=C(/CCC)[C@H](C)C(=O)[O-] 307867231 572682947 /nfs/dbraw/zinc/68/29/47/572682947.db2.gz BPNAMQHTFMVCCT-HWPCKVLBSA-N -1 0 170.252 2.844 10 0 AFAERM CC/C=C(/CCC)[C@@H](C)C(=O)[O-] 307867233 572683045 /nfs/dbraw/zinc/68/30/45/572683045.db2.gz BPNAMQHTFMVCCT-WSQKDGNHSA-N -1 0 170.252 2.844 10 0 AFAERM C[C@H](/C=C/c1ccccc1)CC(=O)[O-] 214186655 572684234 /nfs/dbraw/zinc/68/42/34/572684234.db2.gz YZHNOECSYWOHDQ-QROSGCPLSA-N -1 0 190.242 2.811 10 0 AFAERM Cc1cc(CCC(=O)[O-])c(C(C)C)o1 77072475 572691452 /nfs/dbraw/zinc/69/14/52/572691452.db2.gz NMGWXSSTDOLWTC-UHFFFAOYSA-N -1 0 196.246 2.729 10 0 AFAERM CCc1oc(C(C)C)cc1CC(=O)[O-] 77075787 572691586 /nfs/dbraw/zinc/69/15/86/572691586.db2.gz OTJLHWSSWCAVFG-UHFFFAOYSA-N -1 0 196.246 2.593 10 0 AFAERM C[C@H]1C[C@H](C)[C@@H](CC(=O)[O-])[C@H](C)C1 253485927 572691800 /nfs/dbraw/zinc/69/18/00/572691800.db2.gz SNGGTCAUYWWDHG-BECAKDQMSA-N -1 0 184.279 2.779 10 0 AFAERM Cc1cc(/C=C/C(=O)[O-])c(C(C)C)o1 77072474 572692100 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/nfs/dbraw/zinc/69/76/00/572697600.db2.gz YZSRFBWZGGDOCB-XBXARRHUSA-N -1 0 168.236 2.598 10 0 AFAERM Cc1ccc(C(=O)[O-])c(NC(C)C)c1 54527067 572698026 /nfs/dbraw/zinc/69/80/26/572698026.db2.gz XWTXLPUMSSNYBW-UHFFFAOYSA-N -1 0 193.246 2.514 10 0 AFAERM CC(C)C/C=C\CCCC(=O)[O-] 209507464 572699045 /nfs/dbraw/zinc/69/90/45/572699045.db2.gz VLJOKWJZTAVCLC-HYXAFXHYSA-N -1 0 170.252 2.844 10 0 AFAERM C[C@H](CCC(=O)[O-])Cc1cccs1 238409056 572699520 /nfs/dbraw/zinc/69/95/20/572699520.db2.gz JLHIQXCZWGFEEN-MRVPVSSYSA-N -1 0 198.287 2.792 10 0 AFAERM CC1(C)C[C@H]1CCCCC(=O)[O-] 116462525 572700578 /nfs/dbraw/zinc/70/05/78/572700578.db2.gz SKIFXZNOPQNAJN-MRVPVSSYSA-N -1 0 170.252 2.678 10 0 AFAERM C[C@@H]1CCC[C@H]1CCCC(=O)[O-] 238420866 572701971 /nfs/dbraw/zinc/70/19/71/572701971.db2.gz WAKOTBUKASIQFQ-BDAKNGLRSA-N -1 0 170.252 2.678 10 0 AFAERM C/C=C\c1cccc(C(=O)[O-])c1F 116461997 572701985 /nfs/dbraw/zinc/70/19/85/572701985.db2.gz VOYOZYXOBJEQAC-RQOWECAXSA-N -1 0 180.178 2.557 10 0 AFAERM 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10 0 AFAERM Cc1sc2cc(C(=O)[O-])[nH]c2c1C 75465688 572855578 /nfs/dbraw/zinc/85/55/78/572855578.db2.gz QHEWPVGUHHASLE-UHFFFAOYSA-N -1 0 195.243 2.544 10 0 AFAERM C[C@H]1CCc2scc(C(=O)[O-])c2C1 75464391 572855698 /nfs/dbraw/zinc/85/56/98/572855698.db2.gz MVDFOWVGIMDODM-LURJTMIESA-N -1 0 196.271 2.571 10 0 AFAERM CC[C@@H](CC1(C)CCC1)C(=O)[O-] 307962649 572856659 /nfs/dbraw/zinc/85/66/59/572856659.db2.gz NELZECUGDTVOLW-QMMMGPOBSA-N -1 0 170.252 2.678 10 0 AFAERM C/C=C(\CCCCC)C(=O)[O-] 75542752 572857976 /nfs/dbraw/zinc/85/79/76/572857976.db2.gz BQTJFQJUMJGDHR-XBXARRHUSA-N -1 0 156.225 2.598 10 0 AFAERM CC(C)=C[C@@H](CC(C)C)C(=O)[O-] 75560094 572864415 /nfs/dbraw/zinc/86/44/15/572864415.db2.gz GKIUTKYBGODWFU-VIFPVBQESA-N -1 0 170.252 2.700 10 0 AFAERM C/C=C(\CC)[C@H](CCC)C(=O)[O-] 75560007 572864485 /nfs/dbraw/zinc/86/44/85/572864485.db2.gz GKWDPDBEEYGFRZ-QRJSTWQJSA-N -1 0 170.252 2.844 10 0 AFAERM CCCc1oc(C)cc1/C=C\C(=O)[O-] 714570631 572862941 /nfs/dbraw/zinc/86/29/41/572862941.db2.gz XWXKPNBDOHENKK-WAYWQWQTSA-N -1 0 194.230 2.638 10 0 AFAERM CC/C=C/[C@@H](C)/C=C/CC(=O)[O-] 75556621 572863152 /nfs/dbraw/zinc/86/31/52/572863152.db2.gz FZJAOHFIBXUCDU-OIASJMIUSA-N -1 0 168.236 2.620 10 0 AFAERM C/C=C/[C@H](/C=C/CC(=O)[O-])CC 75556615 572863228 /nfs/dbraw/zinc/86/32/28/572863228.db2.gz LSCLBLOXRKHYLN-KRQMRVLFSA-N -1 0 168.236 2.620 10 0 AFAERM CCC/C=C(C)/C=C/CC(=O)[O-] 75556631 572863632 /nfs/dbraw/zinc/86/36/32/572863632.db2.gz XLVPHGYQZQQNKW-PDTNFJSOSA-N -1 0 168.236 2.764 10 0 AFAERM CC/C=C/[C@H](C)/C=C/CC(=O)[O-] 75556625 572863717 /nfs/dbraw/zinc/86/37/17/572863717.db2.gz FZJAOHFIBXUCDU-IRUBRMGNSA-N -1 0 168.236 2.620 10 0 AFAERM C/C=C(\CC)[C@@H](CCC)C(=O)[O-] 75560012 572865189 /nfs/dbraw/zinc/86/51/89/572865189.db2.gz GKWDPDBEEYGFRZ-WHXYTISESA-N -1 0 170.252 2.844 10 0 AFAERM C/C=C(\CC)[C@H](C(=O)[O-])C(C)C 75560021 572865230 /nfs/dbraw/zinc/86/52/30/572865230.db2.gz VQUMCDCBNLIAEE-WHXYTISESA-N -1 0 170.252 2.700 10 0 AFAERM CCC/C=C\C[C@@H](SC)C(=O)[O-] 199223294 572866560 /nfs/dbraw/zinc/86/65/60/572866560.db2.gz LPXUSFZLJDDCKD-RPSMYOMKSA-N -1 0 188.292 2.549 10 0 AFAERM C[C@@H](C(=O)[O-])C(C)(C)C(C)(C)C 75562967 572866924 /nfs/dbraw/zinc/86/69/24/572866924.db2.gz QVSFEHNDJNEAND-ZETCQYMHSA-N -1 0 172.268 2.779 10 0 AFAERM C[C@H](C(=O)[O-])C(C)(C)C(C)(C)C 75562969 572868441 /nfs/dbraw/zinc/86/84/41/572868441.db2.gz QVSFEHNDJNEAND-SSDOTTSWSA-N -1 0 172.268 2.779 10 0 AFAERM Cc1cc(F)cc(C)c1/C=C\C(=O)[O-] 211492114 572868741 /nfs/dbraw/zinc/86/87/41/572868741.db2.gz NEBVYWZOSSQLJC-ARJAWSKDSA-N -1 0 194.205 2.540 10 0 AFAERM C/C=C1\CCCC[C@H]1CCC(=O)[O-] 75576056 572868963 /nfs/dbraw/zinc/86/89/63/572868963.db2.gz LLWPPOZTMRJESK-HDQHCQLZSA-N -1 0 182.263 2.988 10 0 AFAERM C/C=C/C=C(\CC=C(C)C)C(=O)[O-] 75570185 572869005 /nfs/dbraw/zinc/86/90/05/572869005.db2.gz LYRPVQGPWSHUSJ-UMCKCUICSA-N -1 0 180.247 2.930 10 0 AFAERM C/C(=C/CCC(=O)[O-])CC(C)C 210216150 572869196 /nfs/dbraw/zinc/86/91/96/572869196.db2.gz DVAKQBSXOBPIIS-UITAMQMPSA-N -1 0 170.252 2.844 10 0 AFAERM CCC[C@@H](C(=O)[O-])C1=CCCCC1 75576048 572869284 /nfs/dbraw/zinc/86/92/84/572869284.db2.gz BSDCDOCVPUETRV-SNVBAGLBSA-N -1 0 182.263 2.988 10 0 AFAERM C[C@@H](CCCC1=CCCC1)C(=O)[O-] 75576058 572869315 /nfs/dbraw/zinc/86/93/15/572869315.db2.gz WNWGBAZQIJAEBU-VIFPVBQESA-N -1 0 182.263 2.988 10 0 AFAERM Cc1ccsc1/C=C/C=C\C(=O)[O-] 308156100 572869634 /nfs/dbraw/zinc/86/96/34/572869634.db2.gz QMHCBZDNNJODGU-HZDAAVBUSA-N -1 0 194.255 2.711 10 0 AFAERM CCC[C@H](C)c1ccc(C(=O)[O-])o1 75575930 572870285 /nfs/dbraw/zinc/87/02/85/572870285.db2.gz PZJMEXIKWZLECU-ZETCQYMHSA-N -1 0 182.219 2.881 10 0 AFAERM CCCCC1=CC[C@@H](C(=O)[O-])CC1 75576061 572870310 /nfs/dbraw/zinc/87/03/10/572870310.db2.gz BHSLVYZCDXEZOC-SNVBAGLBSA-N -1 0 182.263 2.988 10 0 AFAERM CCCCC1=CC[C@H](C(=O)[O-])CC1 75576060 572870758 /nfs/dbraw/zinc/87/07/58/572870758.db2.gz BHSLVYZCDXEZOC-JTQLQIEISA-N -1 0 182.263 2.988 10 0 AFAERM C/C=C1\CCCC[C@@H]1CCC(=O)[O-] 75576055 572870857 /nfs/dbraw/zinc/87/08/57/572870857.db2.gz LLWPPOZTMRJESK-AEQWBEDWSA-N -1 0 182.263 2.988 10 0 AFAERM CCC[C@H](C(=O)[O-])C1=CCCCC1 75576047 572871368 /nfs/dbraw/zinc/87/13/68/572871368.db2.gz BSDCDOCVPUETRV-JTQLQIEISA-N -1 0 182.263 2.988 10 0 AFAERM CCC[C@@H](C)c1ccc(C(=O)[O-])o1 75575929 572871014 /nfs/dbraw/zinc/87/10/14/572871014.db2.gz PZJMEXIKWZLECU-SSDOTTSWSA-N -1 0 182.219 2.881 10 0 AFAERM C[C@H](CCCC1=CCCC1)C(=O)[O-] 75576059 572871103 /nfs/dbraw/zinc/87/11/03/572871103.db2.gz WNWGBAZQIJAEBU-SECBINFHSA-N -1 0 182.263 2.988 10 0 AFAERM CC1C[C@@H](C)C(CC(=O)[O-])[C@H](C)C1 75576690 572871722 /nfs/dbraw/zinc/87/17/22/572871722.db2.gz SNGGTCAUYWWDHG-DSAQSWLYSA-N -1 0 184.279 2.779 10 0 AFAERM CCC1(C[C@H](C)C(=O)[O-])CCC1 307967033 572871635 /nfs/dbraw/zinc/87/16/35/572871635.db2.gz SDXQZBAXCALFHW-QMMMGPOBSA-N -1 0 170.252 2.678 10 0 AFAERM CC1C[C@H](C)C(CC(=O)[O-])[C@@H](C)C1 75576691 572871811 /nfs/dbraw/zinc/87/18/11/572871811.db2.gz SNGGTCAUYWWDHG-ZNHWEVIXSA-N -1 0 184.279 2.779 10 0 AFAERM O=C([O-])CC/C=C/Cc1ccccc1 75579776 572872668 /nfs/dbraw/zinc/87/26/68/572872668.db2.gz NQAGOKSFEAOCKC-GORDUTHDSA-N -1 0 190.242 2.650 10 0 AFAERM Cc1cc2occc2c(C)c1C(=O)[O-] 75579573 572873001 /nfs/dbraw/zinc/87/30/01/572873001.db2.gz ZGVPAFORFVVSAV-UHFFFAOYSA-N -1 0 190.198 2.748 10 0 AFAERM C/C(=C\c1ccccc1)[C@H](C)C(=O)[O-] 75579809 572873015 /nfs/dbraw/zinc/87/30/15/572873015.db2.gz DEJADAYPXVOUBB-DDXVTDLHSA-N -1 0 190.242 2.811 10 0 AFAERM CC(C)[C@@H](CCc1ccco1)C(=O)[O-] 75599308 572879737 /nfs/dbraw/zinc/87/97/37/572879737.db2.gz NGHAFMJJPNZJPR-SNVBAGLBSA-N -1 0 196.246 2.569 10 0 AFAERM CCCc1ccc(/C=C/C(=O)[O-])s1 75599437 572880488 /nfs/dbraw/zinc/88/04/88/572880488.db2.gz VJJCIMYQMJQFLD-VOTSOKGWSA-N -1 0 196.271 2.798 10 0 AFAERM C[C@@H]1C[C@H](CCCC(=O)[O-])[C@@H]1C 308159177 572881848 /nfs/dbraw/zinc/88/18/48/572881848.db2.gz QMKMHXGIQQTLJN-HLTSFMKQSA-N -1 0 170.252 2.533 10 0 AFAERM CC(C)[C@H](CCc1ccco1)C(=O)[O-] 75599310 572880881 /nfs/dbraw/zinc/88/08/81/572880881.db2.gz NGHAFMJJPNZJPR-JTQLQIEISA-N -1 0 196.246 2.569 10 0 AFAERM C/C(=C/C=C\C(=O)[O-])c1ccsc1 308160133 572880953 /nfs/dbraw/zinc/88/09/53/572880953.db2.gz XTTGCEOKOFJBLE-URCQLYCYSA-N -1 0 194.255 2.792 10 0 AFAERM C[C@H](CC1CCCC1)[C@@H](F)C(=O)[O-] 689717538 572881358 /nfs/dbraw/zinc/88/13/58/572881358.db2.gz QSHLMRUTIHZWFL-VXNVDRBHSA-N -1 0 188.242 2.626 10 0 AFAERM C[C@@H]1C[C@@H](CCCC(=O)[O-])[C@@H]1C 308159179 572881450 /nfs/dbraw/zinc/88/14/50/572881450.db2.gz QMKMHXGIQQTLJN-IWSPIJDZSA-N -1 0 170.252 2.533 10 0 AFAERM C[C@@H]1[C@@H](CCCC(=O)[O-])C[C@H]1C 308159180 572881499 /nfs/dbraw/zinc/88/14/99/572881499.db2.gz QMKMHXGIQQTLJN-VGMNWLOBSA-N -1 0 170.252 2.533 10 0 AFAERM Cc1ccc(C(C)(C)CCC(=O)[O-])o1 75599320 572881859 /nfs/dbraw/zinc/88/18/59/572881859.db2.gz HTXJZGBAOMYESZ-UHFFFAOYSA-N -1 0 196.246 2.730 10 0 AFAERM [O-]c1c(Cl)cccc1-c1ccno1 75598500 572881909 /nfs/dbraw/zinc/88/19/09/572881909.db2.gz LZNQGTYICAIJLJ-UHFFFAOYSA-N -1 0 195.605 2.701 10 0 AFAERM C[C@H]1[C@H](C)C[C@H]1CCCC(=O)[O-] 308159178 572882225 /nfs/dbraw/zinc/88/22/25/572882225.db2.gz QMKMHXGIQQTLJN-HRDYMLBCSA-N -1 0 170.252 2.533 10 0 AFAERM C[C@@H](CC1CCCC1)[C@@H](F)C(=O)[O-] 689717537 572882257 /nfs/dbraw/zinc/88/22/57/572882257.db2.gz QSHLMRUTIHZWFL-IONNQARKSA-N -1 0 188.242 2.626 10 0 AFAERM C[C@@H](CC1CCCC1)[C@H](F)C(=O)[O-] 689717536 572882434 /nfs/dbraw/zinc/88/24/34/572882434.db2.gz QSHLMRUTIHZWFL-CBAPKCEASA-N -1 0 188.242 2.626 10 0 AFAERM C[C@H](CC1CCCC1)[C@H](F)C(=O)[O-] 689717535 572882760 /nfs/dbraw/zinc/88/27/60/572882760.db2.gz QSHLMRUTIHZWFL-APPZFPTMSA-N -1 0 188.242 2.626 10 0 AFAERM CC[C@@H](C)[C@H](C(=O)[O-])c1ccsc1 75600884 572882984 /nfs/dbraw/zinc/88/29/84/572882984.db2.gz LMUHLLCPDGZJLY-APPZFPTMSA-N -1 0 198.287 2.962 10 0 AFAERM CC[C@H](C)[C@H](C(=O)[O-])c1ccsc1 75600886 572883040 /nfs/dbraw/zinc/88/30/40/572883040.db2.gz LMUHLLCPDGZJLY-CBAPKCEASA-N -1 0 198.287 2.962 10 0 AFAERM CC[C@H](C)[C@@H](C(=O)[O-])c1ccsc1 75600890 572883651 /nfs/dbraw/zinc/88/36/51/572883651.db2.gz LMUHLLCPDGZJLY-IONNQARKSA-N -1 0 198.287 2.962 10 0 AFAERM CCC(CC)(C(=O)[O-])c1ccsc1 75600880 572883773 /nfs/dbraw/zinc/88/37/73/572883773.db2.gz FURDOFCJAPAKID-UHFFFAOYSA-N -1 0 198.287 2.891 10 0 AFAERM CC[C@@H](C)[C@@H](C(=O)[O-])c1ccsc1 75600887 572885024 /nfs/dbraw/zinc/88/50/24/572885024.db2.gz LMUHLLCPDGZJLY-VXNVDRBHSA-N -1 0 198.287 2.962 10 0 AFAERM CC[C@H](C(=O)[O-])[C@@H](C)C1CCC1 714367519 572887215 /nfs/dbraw/zinc/88/72/15/572887215.db2.gz UCSSSDBVEXSERN-CBAPKCEASA-N -1 0 170.252 2.533 10 0 AFAERM CCC(CC)c1cc[nH]c1C(=O)[O-] 86206573 572887428 /nfs/dbraw/zinc/88/74/28/572887428.db2.gz JRSKWSCBFMJLAZ-UHFFFAOYSA-N -1 0 181.235 2.617 10 0 AFAERM CC[C@@H](C(=O)[O-])[C@@H](C)C1CCC1 714367521 572889474 /nfs/dbraw/zinc/88/94/74/572889474.db2.gz UCSSSDBVEXSERN-IONNQARKSA-N -1 0 170.252 2.533 10 0 AFAERM Cc1csc2c1[C@H](C(=O)[O-])CCC2 75626210 572891657 /nfs/dbraw/zinc/89/16/57/572891657.db2.gz NEPJDXVDMKHNLT-SSDOTTSWSA-N -1 0 196.271 2.561 10 0 AFAERM CC/C(=C/C=C\C(=O)[O-])C(C)C 307973253 572893474 /nfs/dbraw/zinc/89/34/74/572893474.db2.gz BNIGKWQDMKKOMC-BSIYMUDXSA-N -1 0 168.236 2.620 10 0 AFAERM CC[C@H](CCSC(C)C)C(=O)[O-] 307973193 572893681 /nfs/dbraw/zinc/89/36/81/572893681.db2.gz ZYHLXKOLFBYVBY-MRVPVSSYSA-N -1 0 190.308 2.629 10 0 AFAERM C[C@@H](C(=O)[O-])c1ccc(C2CC2)cc1 118895157 572893826 /nfs/dbraw/zinc/89/38/26/572893826.db2.gz AFYIMWKWYMWIFJ-MRVPVSSYSA-N -1 0 190.242 2.752 10 0 AFAERM CC[C@@H](CCSC(C)C)C(=O)[O-] 307973194 572894310 /nfs/dbraw/zinc/89/43/10/572894310.db2.gz ZYHLXKOLFBYVBY-QMMMGPOBSA-N -1 0 190.308 2.629 10 0 AFAERM CC12C[C@@H]3C[C@H](C1)CC2(CC(=O)[O-])C3 75596910 572894432 /nfs/dbraw/zinc/89/44/32/572894432.db2.gz BZDLVXYNVHLPCY-LRSDLPTKSA-N -1 0 194.274 2.678 10 0 AFAERM C[C@H](C(=O)[O-])c1ccc(C2CC2)cc1 118895159 572895888 /nfs/dbraw/zinc/89/58/88/572895888.db2.gz AFYIMWKWYMWIFJ-QMMMGPOBSA-N -1 0 190.242 2.752 10 0 AFAERM CC(/C=C\CC(C)C)=C/C(=O)[O-] 199295059 572896670 /nfs/dbraw/zinc/89/66/70/572896670.db2.gz IJMBVKOZFPZGNH-PJPBHMPJSA-N -1 0 168.236 2.620 10 0 AFAERM CC(/C=C\CC(C)C)=C\C(=O)[O-] 199295085 572897332 /nfs/dbraw/zinc/89/73/32/572897332.db2.gz IJMBVKOZFPZGNH-UNQQQNFISA-N -1 0 168.236 2.620 10 0 AFAERM CCCc1ccc([C@@H](F)C(=O)[O-])cc1 86242971 572898385 /nfs/dbraw/zinc/89/83/85/572898385.db2.gz LDCJYLIZSSOHTI-SNVBAGLBSA-N -1 0 196.221 2.734 10 0 AFAERM CCCc1ccc([C@H](F)C(=O)[O-])cc1 86242970 572899131 /nfs/dbraw/zinc/89/91/31/572899131.db2.gz LDCJYLIZSSOHTI-JTQLQIEISA-N -1 0 196.221 2.734 10 0 AFAERM O=C([O-])[C@H]1CC[C@@H](c2cccs2)C1 71507355 572899861 /nfs/dbraw/zinc/89/98/61/572899861.db2.gz JEGAKQALTDPTMC-SFYZADRCSA-N -1 0 196.271 2.716 10 0 AFAERM O=C([O-])[C@@H]1CC[C@@H](c2cccs2)C1 71507357 572900702 /nfs/dbraw/zinc/90/07/02/572900702.db2.gz JEGAKQALTDPTMC-HTQZYQBOSA-N -1 0 196.271 2.716 10 0 AFAERM O=C([O-])[C@H]1CC[C@H](c2cccs2)C1 71507356 572900800 /nfs/dbraw/zinc/90/08/00/572900800.db2.gz JEGAKQALTDPTMC-YUMQZZPRSA-N -1 0 196.271 2.716 10 0 AFAERM O=C([O-])[C@@H]1CC[C@H](c2cccs2)C1 71507358 572901357 /nfs/dbraw/zinc/90/13/57/572901357.db2.gz JEGAKQALTDPTMC-JGVFFNPUSA-N -1 0 196.271 2.716 10 0 AFAERM CC(C)(C)C(=O)c1ccc([O-])cc1F 75854815 572901862 /nfs/dbraw/zinc/90/18/62/572901862.db2.gz KOYJCSHPHAWRSK-UHFFFAOYSA-N -1 0 196.221 2.760 10 0 AFAERM CCc1ccccc1[C@H](C)CC(=O)[O-] 75855773 572902164 /nfs/dbraw/zinc/90/21/64/572902164.db2.gz MRRUKBJDLGSHQY-SECBINFHSA-N -1 0 192.258 2.827 10 0 AFAERM CCc1ccccc1[C@@H](C)CC(=O)[O-] 75855772 572903167 /nfs/dbraw/zinc/90/31/67/572903167.db2.gz MRRUKBJDLGSHQY-VIFPVBQESA-N -1 0 192.258 2.827 10 0 AFAERM Cc1sccc1/C=C/C=C\C(=O)[O-] 308179374 572905794 /nfs/dbraw/zinc/90/57/94/572905794.db2.gz BXTFEJYPQNRUAD-HZDAAVBUSA-N -1 0 194.255 2.711 10 0 AFAERM CCCCS[C@H](C)[C@@H](C)C(=O)[O-] 86293796 572906049 /nfs/dbraw/zinc/90/60/49/572906049.db2.gz IDYJDLGOKBOQTI-HTQZYQBOSA-N -1 0 190.308 2.629 10 0 AFAERM CC[C@H](C)S[C@@H](C)[C@@H](C)C(=O)[O-] 86293536 572906905 /nfs/dbraw/zinc/90/69/05/572906905.db2.gz WLSWNDBMKCLEEC-RNJXMRFFSA-N -1 0 190.308 2.627 10 0 AFAERM CCCCS[C@@H](C)[C@@H](C)C(=O)[O-] 86293794 572906935 /nfs/dbraw/zinc/90/69/35/572906935.db2.gz IDYJDLGOKBOQTI-SFYZADRCSA-N -1 0 190.308 2.629 10 0 AFAERM CCCCS[C@H](C)[C@H](C)C(=O)[O-] 86293802 572907750 /nfs/dbraw/zinc/90/77/50/572907750.db2.gz IDYJDLGOKBOQTI-JGVFFNPUSA-N -1 0 190.308 2.629 10 0 AFAERM CCCCS[C@@H](C)[C@H](C)C(=O)[O-] 86293799 572908335 /nfs/dbraw/zinc/90/83/35/572908335.db2.gz IDYJDLGOKBOQTI-YUMQZZPRSA-N -1 0 190.308 2.629 10 0 AFAERM C/C=C/CCC(C(=O)[O-])=C(F)F 238009224 572912698 /nfs/dbraw/zinc/91/26/98/572912698.db2.gz PQJVWIVMCKKQQV-NSCUHMNNSA-N -1 0 176.162 2.578 10 0 AFAERM O=C([O-])C[C@H]1C[C@H]2CCC[C@H](C2)C1 250524678 572912910 /nfs/dbraw/zinc/91/29/10/572912910.db2.gz OEFYDNNJSYHKPX-ILWJIGKKSA-N -1 0 182.263 2.678 10 0 AFAERM O=C([O-])C[C@@H]1C[C@H]2CCC[C@H](C2)C1 250524683 572913682 /nfs/dbraw/zinc/91/36/82/572913682.db2.gz OEFYDNNJSYHKPX-MYJAWHEDSA-N -1 0 182.263 2.678 10 0 AFAERM C/C=C/[C@@H](C)[C@@H](C(=O)[O-])C(C)C 238027256 572915086 /nfs/dbraw/zinc/91/50/86/572915086.db2.gz UBFRFFNPESNJJY-RKWMXMRGSA-N -1 0 170.252 2.555 10 0 AFAERM CC(C)C[C@H](CC1CC1)C(=O)[O-] 86338442 572915371 /nfs/dbraw/zinc/91/53/71/572915371.db2.gz QKPABKJYUHNOTD-SECBINFHSA-N -1 0 170.252 2.533 10 0 AFAERM CC[C@@H](C)[C@@H](CC(C)C)C(=O)[O-] 86338547 572915511 /nfs/dbraw/zinc/91/55/11/572915511.db2.gz JEGVOORUIKMBQV-RKDXNWHRSA-N -1 0 172.268 2.779 10 0 AFAERM C/C=C/C[C@@H](CC(C)C)C(=O)[O-] 86336871 572915631 /nfs/dbraw/zinc/91/56/31/572915631.db2.gz SFYMBHBFEXZYJJ-MOVJSRMASA-N -1 0 170.252 2.700 10 0 AFAERM CC(C)C[C@@H](CCC1CC1)C(=O)[O-] 86338470 572915677 /nfs/dbraw/zinc/91/56/77/572915677.db2.gz DILZTIJPCWZJNU-SNVBAGLBSA-N -1 0 184.279 2.924 10 0 AFAERM CCC[C@@H](CCC1CC1)C(=O)[O-] 86338984 572916092 /nfs/dbraw/zinc/91/60/92/572916092.db2.gz SWPPKLJHKXQFIL-VIFPVBQESA-N -1 0 170.252 2.678 10 0 AFAERM C/C=C/C[C@@](C)(CCC)C(=O)[O-] 86336891 572916436 /nfs/dbraw/zinc/91/64/36/572916436.db2.gz MWJOJVCLMZVFGR-DFVUYQKZSA-N -1 0 170.252 2.844 10 0 AFAERM CCC[C@H](CCC1CC1)C(=O)[O-] 86338986 572916476 /nfs/dbraw/zinc/91/64/76/572916476.db2.gz SWPPKLJHKXQFIL-SECBINFHSA-N -1 0 170.252 2.678 10 0 AFAERM CC(C)C[C@@H](CC1CCC1)C(=O)[O-] 86338448 572916957 /nfs/dbraw/zinc/91/69/57/572916957.db2.gz TUPBXUQHLSANDV-JTQLQIEISA-N -1 0 184.279 2.924 10 0 AFAERM CC[C@@H](C)[C@H](CC(C)C)C(=O)[O-] 86338551 572916500 /nfs/dbraw/zinc/91/65/00/572916500.db2.gz JEGVOORUIKMBQV-BDAKNGLRSA-N -1 0 172.268 2.779 10 0 AFAERM C/C=C/C[C@](C)(CCC)C(=O)[O-] 86336889 572916805 /nfs/dbraw/zinc/91/68/05/572916805.db2.gz MWJOJVCLMZVFGR-RWCYGVJQSA-N -1 0 170.252 2.844 10 0 AFAERM CC(C)C[C@H](C)C1(C(=O)[O-])CCC1 308188616 572917563 /nfs/dbraw/zinc/91/75/63/572917563.db2.gz LTWOKRRYLMBHAK-VIFPVBQESA-N -1 0 184.279 2.924 10 0 AFAERM C[C@]1(CC2CCCC2)C[C@@H]1C(=O)[O-] 689778516 572917598 /nfs/dbraw/zinc/91/75/98/572917598.db2.gz QKGMOSDVOISMGV-KOLCDFICSA-N -1 0 182.263 2.678 10 0 AFAERM CCC(CC)(CC1CC1)C(=O)[O-] 86340316 572917659 /nfs/dbraw/zinc/91/76/59/572917659.db2.gz ITTSIAJIOUYSNR-UHFFFAOYSA-N -1 0 170.252 2.678 10 0 AFAERM CC[C@](C)(CC1CCC1)C(=O)[O-] 86340582 572917706 /nfs/dbraw/zinc/91/77/06/572917706.db2.gz WTNRCWOKPPORFZ-SNVBAGLBSA-N -1 0 170.252 2.678 10 0 AFAERM C/C(CC(=O)[O-])=C(\C)c1ccccc1 238037345 572917708 /nfs/dbraw/zinc/91/77/08/572917708.db2.gz TWEYTIBPUHMXEQ-KTKRTIGZSA-N -1 0 190.242 2.955 10 0 AFAERM CCC[C@](C)(CC(F)(F)F)C(=O)[O-] 86340059 572917722 /nfs/dbraw/zinc/91/77/22/572917722.db2.gz PHGIVXRWRWTGFB-SSDOTTSWSA-N -1 0 198.184 2.830 10 0 AFAERM CC[C@@](C)(CCC(F)(F)F)C(=O)[O-] 86340757 572917777 /nfs/dbraw/zinc/91/77/77/572917777.db2.gz FNHRBYMOIQPOBJ-ZETCQYMHSA-N -1 0 198.184 2.830 10 0 AFAERM CCC[C@@](C)(C(=O)[O-])[C@@H](C)CC 86340028 572917810 /nfs/dbraw/zinc/91/78/10/572917810.db2.gz VUKAINULFZKZDH-WCBMZHEXSA-N -1 0 172.268 2.924 10 0 AFAERM CCC[C@](C)(CC(F)F)C(=O)[O-] 86340080 572917840 /nfs/dbraw/zinc/91/78/40/572917840.db2.gz JJENTDYYCDUQOI-MRVPVSSYSA-N -1 0 180.194 2.533 10 0 AFAERM CC[C@](C)(CCC1CC1)C(=O)[O-] 86340609 572917884 /nfs/dbraw/zinc/91/78/84/572917884.db2.gz FZXCWFHYVQWSSK-SNVBAGLBSA-N -1 0 170.252 2.678 10 0 AFAERM CC(C)[C@H](CC1CCC1)C(=O)[O-] 86339233 572917929 /nfs/dbraw/zinc/91/79/29/572917929.db2.gz CCHQRMLEVCJLHU-VIFPVBQESA-N -1 0 170.252 2.533 10 0 AFAERM CCC(CC)(CC(F)(F)F)C(=O)[O-] 86340418 572918091 /nfs/dbraw/zinc/91/80/91/572918091.db2.gz XFJSDWFEPBAXLM-UHFFFAOYSA-N -1 0 198.184 2.830 10 0 AFAERM CCC[C@](C)(C(=O)[O-])[C@H](C)CC 86340031 572918146 /nfs/dbraw/zinc/91/81/46/572918146.db2.gz VUKAINULFZKZDH-SCZZXKLOSA-N -1 0 172.268 2.924 10 0 AFAERM CCC[C@@](C)(CC(F)F)C(=O)[O-] 86340078 572918164 /nfs/dbraw/zinc/91/81/64/572918164.db2.gz JJENTDYYCDUQOI-QMMMGPOBSA-N -1 0 180.194 2.533 10 0 AFAERM CCC[C@@](C)(CC(F)(F)F)C(=O)[O-] 86340058 572918284 /nfs/dbraw/zinc/91/82/84/572918284.db2.gz PHGIVXRWRWTGFB-ZETCQYMHSA-N -1 0 198.184 2.830 10 0 AFAERM CC(C)[C@H](CCC(F)(F)F)C(=O)[O-] 86339279 572918397 /nfs/dbraw/zinc/91/83/97/572918397.db2.gz RSRHIACYOWOTPL-LURJTMIESA-N -1 0 198.184 2.686 10 0 AFAERM CC[C@@](C)(CCC1CC1)C(=O)[O-] 86340607 572918538 /nfs/dbraw/zinc/91/85/38/572918538.db2.gz FZXCWFHYVQWSSK-JTQLQIEISA-N -1 0 170.252 2.678 10 0 AFAERM CCC[C@@](C)(CC1CC1)C(=O)[O-] 86339877 572918995 /nfs/dbraw/zinc/91/89/95/572918995.db2.gz QUTTXUJBWMUQKU-JTQLQIEISA-N -1 0 170.252 2.678 10 0 AFAERM CCC[C@@](C)(C(=O)[O-])[C@H](C)CC 86340033 572919047 /nfs/dbraw/zinc/91/90/47/572919047.db2.gz VUKAINULFZKZDH-PSASIEDQSA-N -1 0 172.268 2.924 10 0 AFAERM CC(C)[C@H](CCC1CC1)C(=O)[O-] 86339241 572919081 /nfs/dbraw/zinc/91/90/81/572919081.db2.gz WLPAHLURWQZKSA-VIFPVBQESA-N -1 0 170.252 2.533 10 0 AFAERM CCC[C@](C)(CC1CC1)C(=O)[O-] 86339879 572919128 /nfs/dbraw/zinc/91/91/28/572919128.db2.gz QUTTXUJBWMUQKU-SNVBAGLBSA-N -1 0 170.252 2.678 10 0 AFAERM CC(C)[C@@H](CC1CCC1)C(=O)[O-] 86339231 572919187 /nfs/dbraw/zinc/91/91/87/572919187.db2.gz CCHQRMLEVCJLHU-SECBINFHSA-N -1 0 170.252 2.533 10 0 AFAERM CCC[C@](C)(C(=O)[O-])[C@@H](C)CC 86340026 572919256 /nfs/dbraw/zinc/91/92/56/572919256.db2.gz VUKAINULFZKZDH-WPRPVWTQSA-N -1 0 172.268 2.924 10 0 AFAERM O=C([O-])C1(CCC2CC2)CCCC1 86339712 572919320 /nfs/dbraw/zinc/91/93/20/572919320.db2.gz LRFRYYPYMYLHLI-UHFFFAOYSA-N -1 0 182.263 2.822 10 0 AFAERM C/C=C/[C@H](C)[C@H](C(=O)[O-])C(C)C 238049914 572919330 /nfs/dbraw/zinc/91/93/30/572919330.db2.gz UBFRFFNPESNJJY-VFPASMGPSA-N -1 0 170.252 2.555 10 0 AFAERM CC(C)[C@@H](CCC1CC1)C(=O)[O-] 86339239 572919464 /nfs/dbraw/zinc/91/94/64/572919464.db2.gz WLPAHLURWQZKSA-SECBINFHSA-N -1 0 170.252 2.533 10 0 AFAERM CC[C@@](C)(CC1CCC1)C(=O)[O-] 86340581 572919468 /nfs/dbraw/zinc/91/94/68/572919468.db2.gz WTNRCWOKPPORFZ-JTQLQIEISA-N -1 0 170.252 2.678 10 0 AFAERM CCC(CC)(CC(F)F)C(=O)[O-] 86340434 572919574 /nfs/dbraw/zinc/91/95/74/572919574.db2.gz DFQRMFKXSKWDSF-UHFFFAOYSA-N -1 0 180.194 2.533 10 0 AFAERM C/C=C/[C@H](C)[C@@H](C(=O)[O-])C(C)C 238050864 572919767 /nfs/dbraw/zinc/91/97/67/572919767.db2.gz UBFRFFNPESNJJY-MUNZNRDXSA-N -1 0 170.252 2.555 10 0 AFAERM CC/C(=C(\C)C(=O)[O-])C1CCC1 322270807 572920090 /nfs/dbraw/zinc/92/00/90/572920090.db2.gz KHCLGMJOLGZVFV-CLFYSBASSA-N -1 0 168.236 2.598 10 0 AFAERM CC1=CC[C@H](C/C=C\C(=O)[O-])C12CC2 141124227 572923593 /nfs/dbraw/zinc/92/35/93/572923593.db2.gz SPCQQNDKLJFBNA-GQPNGRKGSA-N -1 0 192.258 2.764 10 0 AFAERM CC1=C(C(=O)[O-])C(C)(C)[C@H](C)CC1 141178854 572923605 /nfs/dbraw/zinc/92/36/05/572923605.db2.gz UOZMLDWQTIADSN-MRVPVSSYSA-N -1 0 182.263 2.844 10 0 AFAERM C=C(C(=O)[O-])/C(=C/C)c1ccccc1 207470755 572927958 /nfs/dbraw/zinc/92/79/58/572927958.db2.gz ARRFQZSHNMNEAN-JYOAFUTRSA-N -1 0 188.226 2.731 10 0 AFAERM CC[C@@H](C)[C@@H](SC(C)C)C(=O)[O-] 86387020 572928291 /nfs/dbraw/zinc/92/82/91/572928291.db2.gz OVCCZXVTLVGGTK-HTQZYQBOSA-N -1 0 190.308 2.627 10 0 AFAERM CCCS[C@@H](C(=O)[O-])[C@H](C)CC 86387015 572928381 /nfs/dbraw/zinc/92/83/81/572928381.db2.gz VJEKIWHUNLRUDI-HTQZYQBOSA-N -1 0 190.308 2.629 10 0 AFAERM CCCS[C@H](C(=O)[O-])[C@@H](C)CC 86387008 572928552 /nfs/dbraw/zinc/92/85/52/572928552.db2.gz VJEKIWHUNLRUDI-YUMQZZPRSA-N -1 0 190.308 2.629 10 0 AFAERM CCCS[C@H](C(=O)[O-])[C@H](C)CC 86387012 572928705 /nfs/dbraw/zinc/92/87/05/572928705.db2.gz VJEKIWHUNLRUDI-SFYZADRCSA-N -1 0 190.308 2.629 10 0 AFAERM CC[C@@H](C)[C@H](SC(C)C)C(=O)[O-] 86387017 572928833 /nfs/dbraw/zinc/92/88/33/572928833.db2.gz OVCCZXVTLVGGTK-SFYZADRCSA-N -1 0 190.308 2.627 10 0 AFAERM CCCS[C@@H](C(=O)[O-])[C@@H](C)CC 86387010 572928946 /nfs/dbraw/zinc/92/89/46/572928946.db2.gz VJEKIWHUNLRUDI-JGVFFNPUSA-N -1 0 190.308 2.629 10 0 AFAERM CC[C@H](C)[C@H](SC(C)C)C(=O)[O-] 86387019 572928995 /nfs/dbraw/zinc/92/89/95/572928995.db2.gz OVCCZXVTLVGGTK-YUMQZZPRSA-N -1 0 190.308 2.627 10 0 AFAERM CC[C@H](C)[C@@H](SC(C)C)C(=O)[O-] 86387022 572929951 /nfs/dbraw/zinc/92/99/51/572929951.db2.gz OVCCZXVTLVGGTK-JGVFFNPUSA-N -1 0 190.308 2.627 10 0 AFAERM C[C@H](/C=C/C=C\C(=O)[O-])C(C)(C)C 308203052 572930739 /nfs/dbraw/zinc/93/07/39/572930739.db2.gz WOCRGLXKMPFSOP-ANWCLIRESA-N -1 0 182.263 2.866 10 0 AFAERM C[C@@H](/C=C/C=C\C(=O)[O-])C(C)(C)C 308203055 572931535 /nfs/dbraw/zinc/93/15/35/572931535.db2.gz WOCRGLXKMPFSOP-XLFPHCRLSA-N -1 0 182.263 2.866 10 0 AFAERM O=C([O-])[C@H](CCCF)c1ccccc1 88026274 572931576 /nfs/dbraw/zinc/93/15/76/572931576.db2.gz BHARGRODYHZAKG-SNVBAGLBSA-N -1 0 196.221 2.605 10 0 AFAERM O=C([O-])[C@@H](CCCF)c1ccccc1 88026275 572931917 /nfs/dbraw/zinc/93/19/17/572931917.db2.gz BHARGRODYHZAKG-JTQLQIEISA-N -1 0 196.221 2.605 10 0 AFAERM C[C@H](/C=C/C=C/C(=O)[O-])C(C)(C)C 308203054 572931997 /nfs/dbraw/zinc/93/19/97/572931997.db2.gz WOCRGLXKMPFSOP-VTNPWJGKSA-N -1 0 182.263 2.866 10 0 AFAERM CCC[C@](C)(CCCF)C(=O)[O-] 88026257 572932584 /nfs/dbraw/zinc/93/25/84/572932584.db2.gz KIPXBFYAIROXPL-SECBINFHSA-N -1 0 176.231 2.627 10 0 AFAERM CCC(CC)(CCCF)C(=O)[O-] 88026260 572932597 /nfs/dbraw/zinc/93/25/97/572932597.db2.gz REZSEIACSQTKHG-UHFFFAOYSA-N -1 0 176.231 2.627 10 0 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/nfs/dbraw/zinc/05/95/61/344059561.db2.gz KNVGGYIMKJOCPF-UHFFFAOYSA-N -1 0 160.188 2.562 10 0 AFAERM COc1cc(C)c(C)c([S-])c1 148916623 344060437 /nfs/dbraw/zinc/06/04/37/344060437.db2.gz FZKZVGUJJILPEE-UHFFFAOYSA-N -1 0 168.261 2.601 10 0 AFAERM C[C@@H]1CCCc2scc(C(=O)[O-])c21 149131824 344062308 /nfs/dbraw/zinc/06/23/08/344062308.db2.gz AFGWDINTBSZMSP-ZCFIWIBFSA-N -1 0 196.271 2.886 10 0 AFAERM Cc1scc(C(=O)[O-])c1C1CC1 149116819 344062351 /nfs/dbraw/zinc/06/23/51/344062351.db2.gz QHSULTJQUNGNFC-UHFFFAOYSA-N -1 0 182.244 2.632 10 0 AFAERM CC1(C)CCc2scc(C(=O)[O-])c21 149111941 344062353 /nfs/dbraw/zinc/06/23/53/344062353.db2.gz NMTXWERHKMIPKV-UHFFFAOYSA-N -1 0 196.271 2.670 10 0 AFAERM C[C@H]1CCCc2scc(C(=O)[O-])c21 149132047 344062388 /nfs/dbraw/zinc/06/23/88/344062388.db2.gz AFGWDINTBSZMSP-LURJTMIESA-N -1 0 196.271 2.886 10 0 AFAERM CC(C)(C)c1cc(C(=O)[O-])cs1 149115188 344062568 /nfs/dbraw/zinc/06/25/68/344062568.db2.gz VXLLMZNSRYTRMH-UHFFFAOYSA-N -1 0 184.260 2.744 10 0 AFAERM 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160924469 344180638 /nfs/dbraw/zinc/18/06/38/344180638.db2.gz RREYTOZWSQTGGL-XCBNKYQSSA-N -1 0 196.271 2.500 10 0 AFAERM CC[C@@H]1C[C@]1(C(=O)[O-])c1cccs1 160924230 344180780 /nfs/dbraw/zinc/18/07/80/344180780.db2.gz RREYTOZWSQTGGL-GMSGAONNSA-N -1 0 196.271 2.500 10 0 AFAERM CCC(CC)Cn1cccc1C(=O)[O-] 161042633 344183985 /nfs/dbraw/zinc/18/39/85/344183985.db2.gz NRQNQYJLVDTYQF-UHFFFAOYSA-N -1 0 195.262 2.623 10 0 AFAERM C[C@H]1C[C@H](n2cc([O-])cn2)CC[C@H]1C 161887466 344200034 /nfs/dbraw/zinc/20/00/34/344200034.db2.gz FPNLFMRAVOLDCK-KXUCPTDWSA-N -1 0 194.278 2.586 10 0 AFAERM C[C@H]1C[C@@H](n2cc([O-])cn2)CC[C@H]1C 161887252 344200039 /nfs/dbraw/zinc/20/00/39/344200039.db2.gz FPNLFMRAVOLDCK-UTLUCORTSA-N -1 0 194.278 2.586 10 0 AFAERM Cc1cc(C(=O)[O-])cc(C2CC2)c1 163582795 344225005 /nfs/dbraw/zinc/22/50/05/344225005.db2.gz DHBLSFJBGFAECB-UHFFFAOYSA-N -1 0 176.215 2.571 10 0 AFAERM CC[C@H]1CCc2scc(C(=O)[O-])c21 164061093 344236287 /nfs/dbraw/zinc/23/62/87/344236287.db2.gz 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344284465 /nfs/dbraw/zinc/28/44/65/344284465.db2.gz UNTBBKKBXBMKDR-UHFFFAOYSA-N -1 0 194.255 2.639 10 0 AFAERM O=C([O-])c1cc(Cl)cn1C1CCC1 167197472 344299611 /nfs/dbraw/zinc/29/96/11/344299611.db2.gz RZMGJXWFFOCSEW-UHFFFAOYSA-N -1 0 199.637 2.565 10 0 AFAERM O=C([O-])C1([C@@H]2C=CCCC2)CCC1 167815945 344314878 /nfs/dbraw/zinc/31/48/78/344314878.db2.gz ZZGNNLGICYXYEZ-SECBINFHSA-N -1 0 180.247 2.598 10 0 AFAERM O=C([O-])C1([C@H]2C=CCCC2)CCC1 167815849 344315002 /nfs/dbraw/zinc/31/50/02/344315002.db2.gz ZZGNNLGICYXYEZ-VIFPVBQESA-N -1 0 180.247 2.598 10 0 AFAERM CCc1cccc(C(=O)[O-])c1Cl 168104698 344320643 /nfs/dbraw/zinc/32/06/43/344320643.db2.gz ZUKMGQYDKUNXOO-UHFFFAOYSA-N -1 0 184.622 2.601 10 0 AFAERM C[C@H]1CCC(C(=O)[O-])=C2CC[C@@H](C)[C@@H]21 169725075 344351252 /nfs/dbraw/zinc/35/12/52/344351252.db2.gz VYBMQNDGRXPOKS-VHSKPIJISA-N -1 0 194.274 2.844 10 0 AFAERM C[C@H]1CCC(C(=O)[O-])=C2CC[C@@H](C)[C@H]21 169725076 344351775 /nfs/dbraw/zinc/35/17/75/344351775.db2.gz VYBMQNDGRXPOKS-FYBVGQRMSA-N -1 0 194.274 2.844 10 0 AFAERM Cc1ccccc1OC(=S)[S-] 196594969 344357974 /nfs/dbraw/zinc/35/79/74/344357974.db2.gz LMXOWYKLEPEGJV-UHFFFAOYSA-N -1 0 184.285 2.589 10 0 AFAERM CC(C)=C(C(=O)[O-])c1cccc(C)c1 204225976 344369440 /nfs/dbraw/zinc/36/94/40/344369440.db2.gz AYLNUQHJHYECII-UHFFFAOYSA-N -1 0 190.242 2.873 10 0 AFAERM C=C[C@@H](CC(=O)[O-])Cc1ccccc1 205705490 344374111 /nfs/dbraw/zinc/37/41/11/344374111.db2.gz APSKYCBNFKGLGW-SNVBAGLBSA-N -1 0 190.242 2.506 10 0 AFAERM C=C[C@H](CC(=O)[O-])Cc1ccccc1 205705472 344374278 /nfs/dbraw/zinc/37/42/78/344374278.db2.gz APSKYCBNFKGLGW-JTQLQIEISA-N -1 0 190.242 2.506 10 0 AFAERM Cc1ccccc1/C=C\CCC(=O)[O-] 208433322 344376528 /nfs/dbraw/zinc/37/65/28/344376528.db2.gz DRZNYKPVRLVHJG-YWEYNIOJSA-N -1 0 190.242 2.873 10 0 AFAERM Oc1cc2ccccc2cc1F 215595924 344389959 /nfs/dbraw/zinc/38/99/59/344389959.db2.gz BBEUKPFAAKFUIG-UHFFFAOYSA-N -1 0 162.163 2.685 10 0 AFAERM CC[C@H](/C=C/c1ccccc1)C(=O)[O-] 215856802 344393762 /nfs/dbraw/zinc/39/37/62/344393762.db2.gz YJZXCMAOGXMVJM-ANYFNZRUSA-N -1 0 190.242 2.811 10 0 AFAERM N#Cc1cc(Cl)cc([O-])c1Cl 217049914 344400216 /nfs/dbraw/zinc/40/02/16/344400216.db2.gz UTMSQBDBPCXNSH-UHFFFAOYSA-N -1 0 188.013 2.571 10 0 AFAERM CC[C@@H]1CCC/C(=C/C(=O)[O-])C1 217055429 344400347 /nfs/dbraw/zinc/40/03/47/344400347.db2.gz AHMREMITKARPMQ-XZZQCUQZSA-N -1 0 168.236 2.598 10 0 AFAERM CC[C@H]1CCC/C(=C/C(=O)[O-])C1 217055469 344400460 /nfs/dbraw/zinc/40/04/60/344400460.db2.gz AHMREMITKARPMQ-FZGDARCMSA-N -1 0 168.236 2.598 10 0 AFAERM CCc1c(C)cc(C)cc1C(=O)[O-] 217929399 344408070 /nfs/dbraw/zinc/40/80/70/344408070.db2.gz JMDSMVDWHDKWEY-UHFFFAOYSA-N -1 0 178.231 2.564 10 0 AFAERM C[C@@H]1CCC[C@@H]([C@H](C)CC(=O)[O-])C1 218119103 344409614 /nfs/dbraw/zinc/40/96/14/344409614.db2.gz YAKBXXIIAIGDST-OPRDCNLKSA-N -1 0 184.279 2.924 10 0 AFAERM CCC(CC)c1cc(C(=O)[O-])ccn1 218122597 344409824 /nfs/dbraw/zinc/40/98/24/344409824.db2.gz NSHGAIMKKWQJSC-UHFFFAOYSA-N -1 0 193.246 2.683 10 0 AFAERM C[C@@H]1CCC[C@H]([C@H](C)CC(=O)[O-])C1 218119189 344409752 /nfs/dbraw/zinc/40/97/52/344409752.db2.gz YAKBXXIIAIGDST-BBBLOLIVSA-N -1 0 184.279 2.924 10 0 AFAERM C[C@@H]1CC[C@H](C(=O)[O-])[C@@H](C2CC2)C1 218156375 344410162 /nfs/dbraw/zinc/41/01/62/344410162.db2.gz VNYDXCGXEYXMSF-FKTZTGRPSA-N -1 0 182.263 2.533 10 0 AFAERM C[C@@H]1CC[C@@H](C(=O)[O-])[C@@H](C2CC2)C1 218156198 344410364 /nfs/dbraw/zinc/41/03/64/344410364.db2.gz VNYDXCGXEYXMSF-SZEHBUNVSA-N -1 0 182.263 2.533 10 0 AFAERM CC[C@@H]1CC[C@H](C(=O)[O-])[C@@H](C)C1 218234226 344410683 /nfs/dbraw/zinc/41/06/83/344410683.db2.gz CVNYEFOUGKXYBO-YIZRAAEISA-N -1 0 170.252 2.533 10 0 AFAERM CC[C@@H]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 218234082 344410684 /nfs/dbraw/zinc/41/06/84/344410684.db2.gz CVNYEFOUGKXYBO-DJLDLDEBSA-N -1 0 170.252 2.533 10 0 AFAERM CC(C)[C@@H]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 218323804 344411479 /nfs/dbraw/zinc/41/14/79/344411479.db2.gz CDMNMBCYXVQSLE-IVZWLZJFSA-N -1 0 184.279 2.779 10 0 AFAERM O=C([O-])[C@@H]1CCC2=C(CC=CC=C2)C1 218542830 344413510 /nfs/dbraw/zinc/41/35/10/344413510.db2.gz DHYQTERUOPXRAC-LLVKDONJSA-N -1 0 190.242 2.684 10 0 AFAERM O=C([O-])[C@H]1CCC2=C(CC=CC=C2)C1 218542914 344413550 /nfs/dbraw/zinc/41/35/50/344413550.db2.gz DHYQTERUOPXRAC-NSHDSACASA-N -1 0 190.242 2.684 10 0 AFAERM C/C(=C/[C@@H](C)C(C)(C)C)C(=O)[O-] 219352782 344422839 /nfs/dbraw/zinc/42/28/39/344422839.db2.gz OVUAPIUPGCEEOQ-NFXKFNAJSA-N -1 0 170.252 2.700 10 0 AFAERM C/C(=C\[C@@H](C)C(C)(C)C)C(=O)[O-] 219352713 344422964 /nfs/dbraw/zinc/42/29/64/344422964.db2.gz OVUAPIUPGCEEOQ-HYDMIIDASA-N -1 0 170.252 2.700 10 0 AFAERM C/C(=C\[C@H](C)C(C)(C)C)C(=O)[O-] 219352547 344423153 /nfs/dbraw/zinc/42/31/53/344423153.db2.gz OVUAPIUPGCEEOQ-CZEYKFRCSA-N -1 0 170.252 2.700 10 0 AFAERM C/C(=C/[C@H](C)C(C)(C)C)C(=O)[O-] 219352627 344423174 /nfs/dbraw/zinc/42/31/74/344423174.db2.gz OVUAPIUPGCEEOQ-UAPHAKCISA-N -1 0 170.252 2.700 10 0 AFAERM Nc1ccc([S-])c(Cl)c1Cl 219431059 344424171 /nfs/dbraw/zinc/42/41/71/344424171.db2.gz DYFCPBGLBXJKKA-UHFFFAOYSA-N -1 0 194.086 2.864 10 0 AFAERM CC(C)/C=C(\C(=O)[O-])c1cccs1 220413495 344431940 /nfs/dbraw/zinc/43/19/40/344431940.db2.gz BYAAYUQDYTYTHZ-VURMDHGXSA-N -1 0 196.271 2.872 10 0 AFAERM CC(C)(C)N(C(=O)[O-])c1ccco1 221251641 344440747 /nfs/dbraw/zinc/44/07/47/344440747.db2.gz PQIWXAMGRKKWAB-UHFFFAOYSA-N -1 0 183.207 2.563 10 0 AFAERM C[C@H]1CCCC[C@@H]1C(C)(C)C(=O)[O-] 221344465 344442055 /nfs/dbraw/zinc/44/20/55/344442055.db2.gz XQVGHCXLKKGAGV-IUCAKERBSA-N -1 0 184.279 2.924 10 0 AFAERM C[C@H]1CCCC[C@H]1C(C)(C)C(=O)[O-] 221344551 344442092 /nfs/dbraw/zinc/44/20/92/344442092.db2.gz XQVGHCXLKKGAGV-DTWKUNHWSA-N -1 0 184.279 2.924 10 0 AFAERM C[C@@H]1CCCC[C@H]1C(C)(C)C(=O)[O-] 221344501 344442177 /nfs/dbraw/zinc/44/21/77/344442177.db2.gz XQVGHCXLKKGAGV-RKDXNWHRSA-N -1 0 184.279 2.924 10 0 AFAERM C[C@@H]1CCCC[C@@H]1C(C)(C)C(=O)[O-] 221344418 344442181 /nfs/dbraw/zinc/44/21/81/344442181.db2.gz XQVGHCXLKKGAGV-BDAKNGLRSA-N -1 0 184.279 2.924 10 0 AFAERM C[C@H](CC1CCC(F)CC1)C(=O)[O-] 221373521 344442285 /nfs/dbraw/zinc/44/22/85/344442285.db2.gz IPVBAFXYTZGNCO-AFPNSQJFSA-N -1 0 188.242 2.626 10 0 AFAERM C[C@@H](CC1CCC(F)CC1)C(=O)[O-] 221373481 344442360 /nfs/dbraw/zinc/44/23/60/344442360.db2.gz IPVBAFXYTZGNCO-UEJVZZJDSA-N -1 0 188.242 2.626 10 0 AFAERM Cc1cccc(Cl)c1CCC(=O)[O-] 221478903 344443848 /nfs/dbraw/zinc/44/38/48/344443848.db2.gz DSSFCOOHVIZHOR-UHFFFAOYSA-N -1 0 198.649 2.666 10 0 AFAERM C[C@H]1C[C@H](C)CC[C@H]1CC(=O)[O-] 221652360 344445013 /nfs/dbraw/zinc/44/50/13/344445013.db2.gz KBUMCZUQFCLFJP-VGMNWLOBSA-N -1 0 170.252 2.533 10 0 AFAERM C[C@H]1C[C@H](C)CC[C@@H]1CC(=O)[O-] 221652471 344445112 /nfs/dbraw/zinc/44/51/12/344445112.db2.gz KBUMCZUQFCLFJP-HRDYMLBCSA-N -1 0 170.252 2.533 10 0 AFAERM Cc1cc(F)c([S-])cc1C 221776829 344445623 /nfs/dbraw/zinc/44/56/23/344445623.db2.gz CLDISSVPPICLKP-UHFFFAOYSA-N -1 0 156.225 2.731 10 0 AFAERM C[C@H]1C[C@H](C)CC[C@]12C[C@@H]2C(=O)[O-] 222371028 344451552 /nfs/dbraw/zinc/45/15/52/344451552.db2.gz KQNNWUFUJAZPNH-LOKLDPHHSA-N -1 0 182.263 2.533 10 0 AFAERM C[C@H]1CC[C@@H](C)C[C@]12C[C@@H]2C(=O)[O-] 222371299 344451466 /nfs/dbraw/zinc/45/14/66/344451466.db2.gz KMCUPHJLMXECCF-LOKLDPHHSA-N -1 0 182.263 2.533 10 0 AFAERM CC1(C)COc2ccc([S-])cc21 223073862 344456605 /nfs/dbraw/zinc/45/66/05/344456605.db2.gz VRJXCSQGZYFJFH-UHFFFAOYSA-N -1 0 180.272 2.645 10 0 AFAERM O=C([O-])C[C@@H]1C=CCCCCC1 223402198 344460106 /nfs/dbraw/zinc/46/01/06/344460106.db2.gz SYXCYEPLJUKGBD-SECBINFHSA-N -1 0 168.236 2.598 10 0 AFAERM O=C([O-])C[C@H]1C=CCCCCC1 223402094 344460284 /nfs/dbraw/zinc/46/02/84/344460284.db2.gz SYXCYEPLJUKGBD-VIFPVBQESA-N -1 0 168.236 2.598 10 0 AFAERM CC(C)(C[C@H]1CC=CCC1)C(=O)[O-] 223922831 344464145 /nfs/dbraw/zinc/46/41/45/344464145.db2.gz HXXBKXIPXCLAAZ-VIFPVBQESA-N -1 0 182.263 2.844 10 0 AFAERM CC(C)(C[C@@H]1CC=CCC1)C(=O)[O-] 223922881 344464245 /nfs/dbraw/zinc/46/42/45/344464245.db2.gz HXXBKXIPXCLAAZ-SECBINFHSA-N -1 0 182.263 2.844 10 0 AFAERM CC[C@@]1(C(=O)[O-])CCCC[C@H]1C 223992115 344464631 /nfs/dbraw/zinc/46/46/31/344464631.db2.gz MHWBZWZTJREOSI-PSASIEDQSA-N -1 0 170.252 2.678 10 0 AFAERM CC[C@]1(C(=O)[O-])CCCC[C@H]1C 223992066 344464954 /nfs/dbraw/zinc/46/49/54/344464954.db2.gz MHWBZWZTJREOSI-SCZZXKLOSA-N -1 0 170.252 2.678 10 0 AFAERM CC[C@]1(C(=O)[O-])CCCC[C@@H]1C 223991959 344465003 /nfs/dbraw/zinc/46/50/03/344465003.db2.gz MHWBZWZTJREOSI-WPRPVWTQSA-N -1 0 170.252 2.678 10 0 AFAERM C[C@@H]1CCC[C@@H]([C@@H](F)C(=O)[O-])CC1 224642303 344471348 /nfs/dbraw/zinc/47/13/48/344471348.db2.gz WMNJCNBPIFTEEI-IWSPIJDZSA-N -1 0 188.242 2.626 10 0 AFAERM CC[C@@H]1CCCC[C@@H]1[C@@H](F)C(=O)[O-] 224638994 344471214 /nfs/dbraw/zinc/47/12/14/344471214.db2.gz BHYDBGAZINAUPI-HRDYMLBCSA-N -1 0 188.242 2.626 10 0 AFAERM CC[C@@H]1CCC[C@H]([C@@H](F)C(=O)[O-])C1 224636762 344471225 /nfs/dbraw/zinc/47/12/25/344471225.db2.gz DCVRMYJNBVOQJL-HRDYMLBCSA-N -1 0 188.242 2.626 10 0 AFAERM C[C@@H]1CCC[C@H](C[C@@H](F)C(=O)[O-])C1 224641239 344471262 /nfs/dbraw/zinc/47/12/62/344471262.db2.gz YZRQLLZCBJDYKW-HRDYMLBCSA-N -1 0 188.242 2.626 10 0 AFAERM CC[C@@H]1CCCC[C@H]1[C@@H](F)C(=O)[O-] 224639093 344471332 /nfs/dbraw/zinc/47/13/32/344471332.db2.gz BHYDBGAZINAUPI-IWSPIJDZSA-N -1 0 188.242 2.626 10 0 AFAERM C[C@@H]1CCC[C@H]([C@@H](F)C(=O)[O-])CC1 224642407 344471351 /nfs/dbraw/zinc/47/13/51/344471351.db2.gz WMNJCNBPIFTEEI-HRDYMLBCSA-N -1 0 188.242 2.626 10 0 AFAERM CC[C@@H]1CCC[C@@H]([C@@H](F)C(=O)[O-])C1 224636660 344471438 /nfs/dbraw/zinc/47/14/38/344471438.db2.gz DCVRMYJNBVOQJL-IWSPIJDZSA-N -1 0 188.242 2.626 10 0 AFAERM C[C@@H]1CCC[C@@H](C[C@@H](F)C(=O)[O-])C1 224641146 344471587 /nfs/dbraw/zinc/47/15/87/344471587.db2.gz YZRQLLZCBJDYKW-IWSPIJDZSA-N -1 0 188.242 2.626 10 0 AFAERM COc1c([S-])ccc(C)c1C 225253500 344478878 /nfs/dbraw/zinc/47/88/78/344478878.db2.gz HZSXFPYNUFSCGA-UHFFFAOYSA-N -1 0 168.261 2.601 10 0 AFAERM COc1cc([S-])cc(C)c1C 225259219 344479026 /nfs/dbraw/zinc/47/90/26/344479026.db2.gz SKJOMJIVZMGJCZ-UHFFFAOYSA-N -1 0 168.261 2.601 10 0 AFAERM C/C(=C(\Cl)C(=O)[O-])c1ccccc1 225911011 344489517 /nfs/dbraw/zinc/48/95/17/344489517.db2.gz MJJLYRSRCAEJMF-VQHVLOKHSA-N -1 0 196.633 2.741 10 0 AFAERM Fc1ccc(Cl)c(F)c1[S-] 226157196 344493330 /nfs/dbraw/zinc/49/33/30/344493330.db2.gz HNAJDRPCZLXRAW-UHFFFAOYSA-N -1 0 180.606 2.907 10 0 AFAERM C[C@@H]1[C@@H]([C@@H](C)C(=O)[O-])CCC[C@H]1C 226411065 344502331 /nfs/dbraw/zinc/50/23/31/344502331.db2.gz KMCXOVHJSMPBRG-RGOKHQFPSA-N -1 0 184.279 2.779 10 0 AFAERM C[C@H]1C[C@H](C)CC[C@@H]1[C@H](C)C(=O)[O-] 226411401 344502369 /nfs/dbraw/zinc/50/23/69/344502369.db2.gz ZUWDMQSXEXJLHH-KATARQTJSA-N -1 0 184.279 2.779 10 0 AFAERM C[C@H](C(=O)[O-])[C@H]1CCC[C@@H](C)CC1 226410627 344502415 /nfs/dbraw/zinc/50/24/15/344502415.db2.gz MYYARYGLYUNLKJ-UTLUCORTSA-N -1 0 184.279 2.924 10 0 AFAERM C[C@H](C(=O)[O-])[C@H]1CCC[C@@H](C)[C@@H]1C 226411070 344502419 /nfs/dbraw/zinc/50/24/19/344502419.db2.gz KMCXOVHJSMPBRG-KATARQTJSA-N -1 0 184.279 2.779 10 0 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227289573 344527712 /nfs/dbraw/zinc/52/77/12/344527712.db2.gz JRSXOLWYMIRJRC-GEWYRVSKSA-N -1 0 186.226 2.751 10 0 AFAERM C/C(C(=O)[O-])=C1/CCC[C@H](C)[C@@H]1C 227512009 344532808 /nfs/dbraw/zinc/53/28/08/344532808.db2.gz TWGFSWZJQYEZDO-MXJIBWSFSA-N -1 0 182.263 2.844 10 0 AFAERM CC(C)[C@H]1C[C@H](C)CC[C@@H]1C(=O)[O-] 227553601 344534449 /nfs/dbraw/zinc/53/44/49/344534449.db2.gz OXTLLBHVJGROHU-KXUCPTDWSA-N -1 0 184.279 2.779 10 0 AFAERM Cc1sccc1[C@H]1CC[C@@H]1C(=O)[O-] 227869285 344549245 /nfs/dbraw/zinc/54/92/45/344549245.db2.gz UVMUDRYUAXBFCY-BDAKNGLRSA-N -1 0 196.271 2.635 10 0 AFAERM Cc1sccc1[C@@H]1CC[C@H]1C(=O)[O-] 227869293 344549281 /nfs/dbraw/zinc/54/92/81/344549281.db2.gz UVMUDRYUAXBFCY-DTWKUNHWSA-N -1 0 196.271 2.635 10 0 AFAERM Cc1sccc1[C@@H]1CC[C@@H]1C(=O)[O-] 227869278 344549326 /nfs/dbraw/zinc/54/93/26/344549326.db2.gz UVMUDRYUAXBFCY-IUCAKERBSA-N -1 0 196.271 2.635 10 0 AFAERM Cc1sccc1[C@H]1CC[C@H]1C(=O)[O-] 227869299 344549486 /nfs/dbraw/zinc/54/94/86/344549486.db2.gz 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CC[C@@H]1CCC/C1=C(/F)C(=O)[O-] 229651907 344609181 /nfs/dbraw/zinc/60/91/81/344609181.db2.gz GOZBPMJOGZDMIP-VALLEEFXSA-N -1 0 172.199 2.505 10 0 AFAERM CC[C@@H]1CCC[C@@H]1[C@@H](C)C(=O)[O-] 229652013 344609263 /nfs/dbraw/zinc/60/92/63/344609263.db2.gz WHPYFKXNEKKJSJ-IWSPIJDZSA-N -1 0 170.252 2.533 10 0 AFAERM CC[C@H]1CCC/C1=C(/F)C(=O)[O-] 229651917 344609308 /nfs/dbraw/zinc/60/93/08/344609308.db2.gz GOZBPMJOGZDMIP-WXIAHEHCSA-N -1 0 172.199 2.505 10 0 AFAERM CC[C@@H]1CCC[C@H]1[C@@H](C)C(=O)[O-] 229652027 344609375 /nfs/dbraw/zinc/60/93/75/344609375.db2.gz WHPYFKXNEKKJSJ-HLTSFMKQSA-N -1 0 170.252 2.533 10 0 AFAERM Cc1ccc(Cl)c(N)c1[S-] 230278137 344630245 /nfs/dbraw/zinc/63/02/45/344630245.db2.gz QAEVCHPFBRAPOS-UHFFFAOYSA-N -1 0 173.668 2.519 10 0 AFAERM Cc1ccc(F)c([S-])c1F 230526316 344637122 /nfs/dbraw/zinc/63/71/22/344637122.db2.gz BXJZDHKBLAAKBE-UHFFFAOYSA-N -1 0 160.188 2.562 10 0 AFAERM CC(C)[C@@H]1CCC/C(=C\C(=O)[O-])C1 231006244 344647281 /nfs/dbraw/zinc/64/72/81/344647281.db2.gz 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