smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=c1sc2cscc2s1 ZINC000000334385 351275251 /nfs/dbraw/zinc/27/52/51/351275251.db2.gz GJEBXSONPVIOSK-UHFFFAOYSA-N 0 0 190.339 3.754 10 0 AHAERN c1[nH]c2ccccc2c1-c1ccccc1 ZINC000001023851 351283407 /nfs/dbraw/zinc/28/34/07/351283407.db2.gz XZNGTBLWFCRXKR-UHFFFAOYSA-N 0 0 193.249 3.835 10 0 AHAERN CC(C)(C)c1cc2cccc(F)c2[nH]1 ZINC000001517425 166383784 /nfs/dbraw/zinc/38/37/84/166383784.db2.gz SCYQIBVQSGWLNC-UHFFFAOYSA-N 0 0 191.249 3.605 10 0 AHAERN CC(C)(C)c1ccc(-n2cccc2)cc1 ZINC000001519698 166383778 /nfs/dbraw/zinc/38/37/78/166383778.db2.gz QFYLEADXKNLMPJ-UHFFFAOYSA-N 0 0 199.297 3.775 10 0 AHAERN C[C@@H](c1ccccc1)c1ccccc1O ZINC000001577020 351288340 /nfs/dbraw/zinc/28/83/40/351288340.db2.gz WYZIVNCBUWDCOZ-NSHDSACASA-N 0 0 198.265 3.544 10 0 AHAERN CC(C)(C)C(=O)C(C)(C)C(C)(C)C ZINC000001587697 571778587 /nfs/dbraw/zinc/77/85/87/571778587.db2.gz KOFIQPLLXPZPBE-UHFFFAOYSA-N 0 0 184.323 3.674 10 0 AHAERN Cc1ccc2ccc(C)c(C)c2c1 ZINC000001598871 571778142 /nfs/dbraw/zinc/77/81/42/571778142.db2.gz FXPNJTQSNLVWST-UHFFFAOYSA-N 0 0 170.255 3.765 10 0 AHAERN C=CSc1nc2ccccc2s1 ZINC000001603104 342951150 /nfs/dbraw/zinc/95/11/50/342951150.db2.gz UBPTXCHOFYAPNG-UHFFFAOYSA-N 0 0 193.296 3.532 10 0 AHAERN C=C(Cl)c1c(C)cc(C)cc1C ZINC000001610638 571779206 /nfs/dbraw/zinc/77/92/06/571779206.db2.gz BXIBDACKHDNZFI-UHFFFAOYSA-N 0 0 180.678 3.821 10 0 AHAERN Cc1cc(C(C)C)c(O)c(C(C)C)c1 ZINC000001631222 571778285 /nfs/dbraw/zinc/77/82/85/571778285.db2.gz PNTYWMCFKKJDAA-UHFFFAOYSA-N 0 0 192.302 3.947 10 0 AHAERN CCCc1c(C)[nH]c2ccc(C)cc21 ZINC000001635572 571777727 /nfs/dbraw/zinc/77/77/27/571777727.db2.gz ORRREROEJOYMCE-UHFFFAOYSA-N 0 0 187.286 3.737 10 0 AHAERN Cc1cc(Cl)cc(C(C)(C)C)c1O ZINC000001674337 571780543 /nfs/dbraw/zinc/78/05/43/571780543.db2.gz GHNYACQMIRLALO-UHFFFAOYSA-N 0 0 198.693 3.652 10 0 AHAERN CCC(=O)[C@@H]1C[C@@H](C(C)C)CC[C@H]1C ZINC000001677935 342957169 /nfs/dbraw/zinc/95/71/69/342957169.db2.gz WRFTWUYODLYHDR-GRYCIOLGSA-N 0 0 196.334 3.674 10 0 AHAERN C1CCC2(CC1)CCCCC2 ZINC000001691907 342959311 /nfs/dbraw/zinc/95/93/11/342959311.db2.gz NECLQTPQJZSWOE-UHFFFAOYSA-N 0 0 152.281 3.901 10 0 AHAERN CCCCCC[C@H](O)c1ccccc1 ZINC000001694761 166856553 /nfs/dbraw/zinc/85/65/53/166856553.db2.gz UAJVCELPUNHGKE-ZDUSSCGKSA-N 0 0 192.302 3.690 10 0 AHAERN CCC(CC)(CC)CC ZINC000001699566 342960214 /nfs/dbraw/zinc/96/02/14/342960214.db2.gz BGXXXYLRPIRDHJ-UHFFFAOYSA-N 0 0 128.259 3.613 10 0 AHAERN Cc1cc(Cl)ccc1NC(C)(C)C ZINC000001720767 571782658 /nfs/dbraw/zinc/78/26/58/571782658.db2.gz ABEQNFZVHFJUIY-UHFFFAOYSA-N 0 0 197.709 3.859 10 0 AHAERN ClC12CCCCC1CCCC2 ZINC000001722898 342962527 /nfs/dbraw/zinc/96/25/27/342962527.db2.gz SXDYKBKQAWLGRZ-UHFFFAOYSA-N 0 0 172.699 3.728 10 0 AHAERN Oc1ccccc1C1=CCCCCC1 ZINC000001725373 571783899 /nfs/dbraw/zinc/78/38/99/571783899.db2.gz VPOCIADZHVZFLK-UHFFFAOYSA-N 0 0 188.270 3.740 10 0 AHAERN C1CCC(OC2CCCCC2)CC1 ZINC000001758799 166087267 /nfs/dbraw/zinc/08/72/67/166087267.db2.gz OCDXZFSOHJRGIL-UHFFFAOYSA-N 0 0 182.307 3.668 10 0 AHAERN Cc1ccc2ccccc2c1Cl ZINC000001760820 342964208 /nfs/dbraw/zinc/96/42/08/342964208.db2.gz MNCMVFFWMBXFLK-UHFFFAOYSA-N 0 0 176.646 3.802 10 0 AHAERN CC(C)P(c1ccccc1)C(C)C ZINC000001765041 571783292 /nfs/dbraw/zinc/78/32/92/571783292.db2.gz AIFSJAIZLCBORN-UHFFFAOYSA-N 0 0 194.258 3.611 10 0 AHAERN CC(C)=CCC/C(C)=C\CC[C@H](C)O ZINC000001808774 171163144 /nfs/dbraw/zinc/16/31/44/171163144.db2.gz LYFDNQZGOHRKNK-SUIFULHWSA-N 0 0 196.334 3.840 10 0 AHAERN CC(C)=CCC/C(C)=C\CC[C@@H](C)O ZINC000001808777 171162946 /nfs/dbraw/zinc/16/29/46/171162946.db2.gz LYFDNQZGOHRKNK-KIWPFMIBSA-N 0 0 196.334 3.840 10 0 AHAERN Cc1cc(C)c2cccc(C)c2c1 ZINC000001841412 342964837 /nfs/dbraw/zinc/96/48/37/342964837.db2.gz IJEBSXFVVHGNQF-UHFFFAOYSA-N 0 0 170.255 3.765 10 0 AHAERN c1ccc2c(c1)S[C@@H]1CCCC[C@@H]21 ZINC000001843495 571788005 /nfs/dbraw/zinc/78/80/05/571788005.db2.gz VKFAAUDUBPEOMC-CMPLNLGQSA-N 0 0 190.311 3.819 10 0 AHAERN c1ccc2c(c1)S[C@H]1CCCC[C@@H]21 ZINC000001843497 571786633 /nfs/dbraw/zinc/78/66/33/571786633.db2.gz VKFAAUDUBPEOMC-JQWIXIFHSA-N 0 0 190.311 3.819 10 0 AHAERN c1ccc2c(c1)S[C@@H]1CCCC[C@H]21 ZINC000001843498 571787041 /nfs/dbraw/zinc/78/70/41/571787041.db2.gz VKFAAUDUBPEOMC-ZYHUDNBSSA-N 0 0 190.311 3.819 10 0 AHAERN c1ccc2c(c1)S[C@H]1CCCC[C@H]21 ZINC000001843500 571785929 /nfs/dbraw/zinc/78/59/29/571785929.db2.gz VKFAAUDUBPEOMC-PWSUYJOCSA-N 0 0 190.311 3.819 10 0 AHAERN Clc1cc2ccccc2s1 ZINC000001998533 169021811 /nfs/dbraw/zinc/02/18/11/169021811.db2.gz CPYLFALFYKCLRI-UHFFFAOYSA-N 0 0 168.648 3.555 10 0 AHAERN Cc1ccc2c(c1)C(C)=CC[C@H]2C ZINC000002002665 571790952 /nfs/dbraw/zinc/79/09/52/571790952.db2.gz HQBMLUDYOSJUOR-SNVBAGLBSA-N 0 0 172.271 3.906 10 0 AHAERN Cc1ccc2c(c1)C(C)=CC[C@@H]2C ZINC000002002666 571791103 /nfs/dbraw/zinc/79/11/03/571791103.db2.gz HQBMLUDYOSJUOR-JTQLQIEISA-N 0 0 172.271 3.906 10 0 AHAERN CCCS/C=C/SCCC ZINC000002004407 171003486 /nfs/dbraw/zinc/00/34/86/171003486.db2.gz WERZWRCQQURDDW-BQYQJAHWSA-N 0 0 176.350 3.744 10 0 AHAERN CCCCCCC(=O)CCC(C)C ZINC000002005681 171163911 /nfs/dbraw/zinc/16/39/11/171163911.db2.gz JLTHSCDXCKBHCZ-UHFFFAOYSA-N 0 0 184.323 3.962 10 0 AHAERN CCOC/C=C(\C)CCC=C(C)C ZINC000002007329 167379720 /nfs/dbraw/zinc/37/97/20/167379720.db2.gz LOUIMJFJROISMD-FMIVXFBMSA-N 0 0 182.307 3.716 10 0 AHAERN CC/C=C(\CC)CCC ZINC000002009928 342966491 /nfs/dbraw/zinc/96/64/91/342966491.db2.gz UEXWGMADXSUAIL-VQHVLOKHSA-N 0 0 126.243 3.533 10 0 AHAERN CCC(CC)c1ccc(C)cc1 ZINC000002015359 342966873 /nfs/dbraw/zinc/96/68/73/342966873.db2.gz HFPPJNVUPMBSBN-UHFFFAOYSA-N 0 0 162.276 3.899 10 0 AHAERN C[C@@H](c1ccccc1)C(C)(C)C ZINC000002016774 351301126 /nfs/dbraw/zinc/30/11/26/351301126.db2.gz UYOAOYYUSXVILM-JTQLQIEISA-N 0 0 162.276 3.836 10 0 AHAERN C[C@H](c1ccccc1)C(C)(C)C ZINC000002016775 168589347 /nfs/dbraw/zinc/58/93/47/168589347.db2.gz UYOAOYYUSXVILM-SNVBAGLBSA-N 0 0 162.276 3.836 10 0 AHAERN CC(C)[C@@H](C)CC(C)(C)C ZINC000002018301 166568054 /nfs/dbraw/zinc/56/80/54/166568054.db2.gz KDRZICOOQNIJDN-VIFPVBQESA-N 0 0 142.286 3.715 10 0 AHAERN CC(C)[C@H](C)CC(C)(C)C ZINC000002018302 571790492 /nfs/dbraw/zinc/79/04/92/571790492.db2.gz KDRZICOOQNIJDN-SECBINFHSA-N 0 0 142.286 3.715 10 0 AHAERN CCCC(C)(C)C(C)(C)C ZINC000002019613 571789391 /nfs/dbraw/zinc/78/93/91/571789391.db2.gz RMQHJMMCLSJULX-UHFFFAOYSA-N 0 0 142.286 3.859 10 0 AHAERN CC1=Cc2cccc3cccc1c23 ZINC000002032965 342967427 /nfs/dbraw/zinc/96/74/27/342967427.db2.gz QALUZRZBRMSBPM-UHFFFAOYSA-N 0 0 166.223 3.714 10 0 AHAERN Cc1cccc2c3ccccc3[nH]c21 ZINC000002033906 342967651 /nfs/dbraw/zinc/96/76/51/342967651.db2.gz HIAGSPVAYSSKHL-UHFFFAOYSA-N 0 0 181.238 3.630 10 0 AHAERN C1=Cc2cc3c(cc2CC1)C=CCC3 ZINC000002034492 166080188 /nfs/dbraw/zinc/08/01/88/166080188.db2.gz BSFAKQNVSGLNFI-UHFFFAOYSA-N 0 0 182.266 3.605 10 0 AHAERN Cc1ccc2cccc(C)c2c1C ZINC000002038335 571790199 /nfs/dbraw/zinc/79/01/99/571790199.db2.gz BVGOHNFOXOLDAO-UHFFFAOYSA-N 0 0 170.255 3.765 10 0 AHAERN C=Cc1cccc(Cl)c1Cl ZINC000002038874 166223459 /nfs/dbraw/zinc/22/34/59/166223459.db2.gz GZJCDQYVIXPMAW-UHFFFAOYSA-N 0 0 173.042 3.636 10 0 AHAERN C=Cc1ccc(Cl)cc1Cl ZINC000002038875 166223444 /nfs/dbraw/zinc/22/34/44/166223444.db2.gz OMNYXCUDBQKCMU-UHFFFAOYSA-N 0 0 173.042 3.636 10 0 AHAERN C=C(Cl)C(Cl)=C(Cl)Cl ZINC000002040189 171003930 /nfs/dbraw/zinc/00/39/30/171003930.db2.gz RCBKHVTUYAGMLB-UHFFFAOYSA-N 0 0 191.872 3.624 10 0 AHAERN C1CSC2(CCCCCC2)S1 ZINC000002040935 571790368 /nfs/dbraw/zinc/79/03/68/571790368.db2.gz CBZSMDMKLWKHTD-UHFFFAOYSA-N 0 0 188.361 3.517 10 0 AHAERN C/C=C/c1cccc2ccccc12 ZINC000002041896 166066997 /nfs/dbraw/zinc/06/69/97/166066997.db2.gz ZZPDMMIMRUGHBQ-QHHAFSJGSA-N 0 0 168.239 3.873 10 0 AHAERN CCCCCC[C@@H](O)c1ccccc1 ZINC000002043538 342969035 /nfs/dbraw/zinc/96/90/35/342969035.db2.gz UAJVCELPUNHGKE-CYBMUJFWSA-N 0 0 192.302 3.690 10 0 AHAERN CC(C)(C)Sc1ccccc1 ZINC000002173148 171005071 /nfs/dbraw/zinc/00/50/71/171005071.db2.gz VEUCZKAZCRSEMP-UHFFFAOYSA-N 0 0 166.289 3.577 10 0 AHAERN CCN(c1ccccc1)c1ccccc1 ZINC000002173324 167196383 /nfs/dbraw/zinc/19/63/83/167196383.db2.gz ITMSSZATZARZCA-UHFFFAOYSA-N 0 0 197.281 3.845 10 0 AHAERN CCCC(=O)[C@@H]1[C@H](C)C=CCC1(C)C ZINC000002236808 571843718 /nfs/dbraw/zinc/84/37/18/571843718.db2.gz BBPCJNBZOFHWCU-PWSUYJOCSA-N 0 0 194.318 3.594 10 0 AHAERN Cc1csc2c(C)csc12 ZINC000002387541 342971991 /nfs/dbraw/zinc/97/19/91/342971991.db2.gz GDEWXFQKAYEKLX-UHFFFAOYSA-N 0 0 168.286 3.580 10 0 AHAERN Fc1cccc(-c2ccsc2)c1 ZINC000002392357 169086539 /nfs/dbraw/zinc/08/65/39/169086539.db2.gz JROQAKHICNOXFO-UHFFFAOYSA-N 0 0 178.231 3.554 10 0 AHAERN Cc1cc(F)ccc1-c1ccsc1 ZINC000002392374 582535087 /nfs/dbraw/zinc/53/50/87/582535087.db2.gz BEKGSOHQJPHNDG-UHFFFAOYSA-N 0 0 192.258 3.863 10 0 AHAERN Cc1ccc(Cc2ccsc2)cc1 ZINC000002392419 342972198 /nfs/dbraw/zinc/97/21/98/342972198.db2.gz DKXCHPBJCMKOBT-UHFFFAOYSA-N 0 0 188.295 3.647 10 0 AHAERN Cc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000002507986 342973037 /nfs/dbraw/zinc/97/30/37/342973037.db2.gz NNXHDILUOAXSPU-UHFFFAOYSA-N 0 0 188.314 3.954 10 0 AHAERN CCCCCC[C@@](C)(O)CCC ZINC000002508047 342972876 /nfs/dbraw/zinc/97/28/76/342972876.db2.gz INBMULVLVSCIEB-NSHDSACASA-N 0 0 172.312 3.508 10 0 AHAERN CC[C@@H](O)C[C@H](C)CCC=C(C)C ZINC000002508081 342973060 /nfs/dbraw/zinc/97/30/60/342973060.db2.gz YBQNRPVINYKRGQ-VXGBXAGGSA-N 0 0 184.323 3.530 10 0 AHAERN CC[C@@H](O)C[C@H](C)CCCC(C)C ZINC000002508082 167537521 /nfs/dbraw/zinc/53/75/21/167537521.db2.gz IAMDHPUVYSKJSO-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](O)C[C@H](C)CCC=C(C)C ZINC000002508093 167050106 /nfs/dbraw/zinc/05/01/06/167050106.db2.gz FXYWMUVGDPTSCK-CHWSQXEVSA-N 0 0 198.350 3.920 10 0 AHAERN Clc1cc2occc2c(Cl)c1 ZINC000002510200 169021894 /nfs/dbraw/zinc/02/18/94/169021894.db2.gz ZVYPNSGWLVPWSF-UHFFFAOYSA-N 0 0 187.025 3.740 10 0 AHAERN Cc1c(Cl)sc2ccccc12 ZINC000002510201 342973464 /nfs/dbraw/zinc/97/34/64/342973464.db2.gz ZJVIZYHPXKIOBB-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN CCCCN(CC)c1cccc(C)c1 ZINC000002521513 342973815 /nfs/dbraw/zinc/97/38/15/342973815.db2.gz RHYNBOJRMMSEJM-UHFFFAOYSA-N 0 0 191.318 3.621 10 0 AHAERN CC(C)(C)C=C1CCCCC1 ZINC000002528253 166348334 /nfs/dbraw/zinc/34/83/34/166348334.db2.gz MHNGPSUOLFWERG-UHFFFAOYSA-N 0 0 152.281 3.923 10 0 AHAERN CC=C1CCCCCCC1 ZINC000002528257 166754221 /nfs/dbraw/zinc/75/42/21/166754221.db2.gz WSOKCFIRHYCWJE-UHFFFAOYSA-N 0 0 138.254 3.677 10 0 AHAERN CC(C)(C)/C=C/C(C)(C)C ZINC000002528307 571873984 /nfs/dbraw/zinc/87/39/84/571873984.db2.gz UYWLQEPMPVDASH-BQYQJAHWSA-N 0 0 140.270 3.635 10 0 AHAERN C/C=C(\CC)C(CC)CC ZINC000002528327 166060255 /nfs/dbraw/zinc/06/02/55/166060255.db2.gz WTCHQGKPTSGKHU-WEVVVXLNSA-N 0 0 140.270 3.779 10 0 AHAERN Cl/C=C/c1ccc(Cl)cc1 ZINC000002529296 169016320 /nfs/dbraw/zinc/01/63/20/169016320.db2.gz CSKZPUXXZMEGLH-AATRIKPKSA-N 0 0 173.042 3.550 10 0 AHAERN CCC[C@](F)(Cl)C(F)(F)Cl ZINC000002530844 167093243 /nfs/dbraw/zinc/09/32/43/167093243.db2.gz OIIDGVNKDVSPHP-SCSAIBSYSA-N 0 0 195.011 3.523 10 0 AHAERN CC(C)C[C@H](C)Cc1ccccc1 ZINC000002534133 571877140 /nfs/dbraw/zinc/87/71/40/571877140.db2.gz QXXSGHXNHITGDL-LBPRGKRZSA-N 0 0 176.303 3.911 10 0 AHAERN c1ccc([C@@H]2C[C@@H]3CC[C@H]2C3)cc1 ZINC000002534426 169477856 /nfs/dbraw/zinc/47/78/56/169477856.db2.gz FPSNRVOJKUSUFQ-WXHSDQCUSA-N 0 0 172.271 3.590 10 0 AHAERN CC(C)CCCC(C)(C)Cl ZINC000002556008 351310921 /nfs/dbraw/zinc/31/09/21/351310921.db2.gz NJWHTGOVVVUUSI-UHFFFAOYSA-N 0 0 162.704 3.830 10 0 AHAERN Cc1sccc1-c1ccccc1 ZINC000002557578 169015381 /nfs/dbraw/zinc/01/53/81/169015381.db2.gz CZEDCCWCCIETGI-UHFFFAOYSA-N 0 0 174.268 3.724 10 0 AHAERN CCC(CC)CC[C@H](O)CC(C)C ZINC000002564043 342977009 /nfs/dbraw/zinc/97/70/09/342977009.db2.gz BSQKDZOIFSQWHV-LBPRGKRZSA-N 0 0 186.339 3.610 10 0 AHAERN CCC/C=C/C(CC)CC ZINC000002564079 171007302 /nfs/dbraw/zinc/00/73/02/171007302.db2.gz CSGQVOZQZMMCHL-CMDGGOBGSA-N 0 0 140.270 3.779 10 0 AHAERN CCCCCC=C(C)C ZINC000002564109 342977281 /nfs/dbraw/zinc/97/72/81/342977281.db2.gz YBOZNTGUYASNRA-UHFFFAOYSA-N 0 0 126.243 3.533 10 0 AHAERN CCCC(=O)c1ccc2ccccc2c1 ZINC000002565541 166834454 /nfs/dbraw/zinc/83/44/54/166834454.db2.gz VJQCIRJFGLWMGL-UHFFFAOYSA-N 0 0 198.265 3.823 10 0 AHAERN CCCCCc1cc2ccccc2[nH]1 ZINC000002571488 166877412 /nfs/dbraw/zinc/87/74/12/166877412.db2.gz UBXDOZCGGFBQQQ-UHFFFAOYSA-N 0 0 187.286 3.901 10 0 AHAERN CC(C)C1=CCC(C(C)C)=CC1 ZINC000002576812 571878250 /nfs/dbraw/zinc/87/82/50/571878250.db2.gz PHQGCMVBXNSXJE-UHFFFAOYSA-N 0 0 164.292 3.945 10 0 AHAERN CSc1c(C)c(C)c(C)c(C)c1C ZINC000002577659 168310080 /nfs/dbraw/zinc/31/00/80/168310080.db2.gz DJMDIUMNWVMVCL-UHFFFAOYSA-N 0 0 194.343 3.951 10 0 AHAERN Clc1ccc2c(c1)-c1ccccc1-2 ZINC000002579275 169022693 /nfs/dbraw/zinc/02/26/93/169022693.db2.gz NCEVZHIJEFVYHB-UHFFFAOYSA-N 0 0 186.641 3.987 10 0 AHAERN Fc1ccc(-c2ccsc2)cc1F ZINC000002579754 571801163 /nfs/dbraw/zinc/80/11/63/571801163.db2.gz HPEARRFPLOGQEH-UHFFFAOYSA-N 0 0 196.221 3.693 10 0 AHAERN CC(C)=C(Cl)N(C(C)C)C(C)C ZINC000002580733 171008398 /nfs/dbraw/zinc/00/83/98/171008398.db2.gz UTWJPDIBWGZIJV-UHFFFAOYSA-N 0 0 189.730 3.595 10 0 AHAERN O[C@H]1CCCCCCCCC[C@H]2C[C@@H]21 ZINC000002581107 571877621 /nfs/dbraw/zinc/87/76/21/571877621.db2.gz SPQXQKQSLNNEEN-AVGNSLFASA-N 0 0 196.334 3.508 10 0 AHAERN C/C=C/CCc1ccccc1C ZINC000002583606 171008680 /nfs/dbraw/zinc/00/86/80/171008680.db2.gz NKEQCTWCOZGWSY-ONEGZZNKSA-N 0 0 160.260 3.504 10 0 AHAERN CCC(CC)=C(CC)CC ZINC000002600017 571803379 /nfs/dbraw/zinc/80/33/79/571803379.db2.gz FFNDAWOUEUOJQA-UHFFFAOYSA-N 0 0 140.270 3.923 10 0 AHAERN COc1ccccc1-c1ccccc1C ZINC000003124975 168275478 /nfs/dbraw/zinc/27/54/78/168275478.db2.gz YDOGLCXULALGJP-UHFFFAOYSA-N 0 0 198.265 3.671 10 0 AHAERN CC(C)(C)c1ccc(C(C)(C)C)o1 ZINC000003133929 166382898 /nfs/dbraw/zinc/38/28/98/166382898.db2.gz LHCFPVDATVVDLD-UHFFFAOYSA-N 0 0 180.291 3.875 10 0 AHAERN CCCCc1cccc(C(C)C)c1O ZINC000003617582 342982889 /nfs/dbraw/zinc/98/28/89/342982889.db2.gz QXVWWADASQRJAU-UHFFFAOYSA-N 0 0 192.302 3.858 10 0 AHAERN CCCCc1cccc(CCC)c1O ZINC000003617585 342982733 /nfs/dbraw/zinc/98/27/33/342982733.db2.gz DOISHLXLWZJLHG-UHFFFAOYSA-N 0 0 192.302 3.687 10 0 AHAERN CC[C@@H](c1ccccc1)C(C)C ZINC000003623172 571811369 /nfs/dbraw/zinc/81/13/69/571811369.db2.gz KXKQNZYTNYNPED-GFCCVEGCSA-N 0 0 162.276 3.836 10 0 AHAERN CC[C@H](c1ccccc1)C(C)C ZINC000003623173 571814244 /nfs/dbraw/zinc/81/42/44/571814244.db2.gz KXKQNZYTNYNPED-LBPRGKRZSA-N 0 0 162.276 3.836 10 0 AHAERN Cc1ccc(C(C)(C)C)c(Cl)c1 ZINC000003643357 571815744 /nfs/dbraw/zinc/81/57/44/571815744.db2.gz XQVQFDUMCCPINW-UHFFFAOYSA-N 0 0 182.694 3.946 10 0 AHAERN C=Cc1cccc(C=C)c1C=C ZINC000003650893 166223358 /nfs/dbraw/zinc/22/33/58/166223358.db2.gz WVAFEFUPWRPQSY-UHFFFAOYSA-N 0 0 156.228 3.616 10 0 AHAERN CCCSC1=CCCCC1 ZINC000003956946 167024916 /nfs/dbraw/zinc/02/49/16/167024916.db2.gz WUHLUAIUBJMRAG-UHFFFAOYSA-N 0 0 156.294 3.588 10 0 AHAERN CCCCc1cc(C)sc1C ZINC000004204057 171220814 /nfs/dbraw/zinc/22/08/14/171220814.db2.gz DUOSBQJOYVIVOR-UHFFFAOYSA-N 0 0 168.305 3.708 10 0 AHAERN Fc1ccccc1-c1ccsc1 ZINC000004291267 169087737 /nfs/dbraw/zinc/08/77/37/169087737.db2.gz OUBXHCFZYMULGD-UHFFFAOYSA-N 0 0 178.231 3.554 10 0 AHAERN CCC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@H]1C ZINC000004705623 342993956 /nfs/dbraw/zinc/99/39/56/342993956.db2.gz WRFTWUYODLYHDR-QJPTWQEYSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(=O)[C@H]1C[C@H](C(C)C)CC[C@@H]1C ZINC000004705624 342994002 /nfs/dbraw/zinc/99/40/02/342994002.db2.gz WRFTWUYODLYHDR-TUAOUCFPSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(=O)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1C ZINC000004705625 342994070 /nfs/dbraw/zinc/99/40/70/342994070.db2.gz WRFTWUYODLYHDR-SDDRHHMPSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(=O)[C@H]1C[C@@H](C(C)C)CC[C@@H]1C ZINC000004705626 342994006 /nfs/dbraw/zinc/99/40/06/342994006.db2.gz WRFTWUYODLYHDR-SRVKXCTJSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)=CCn1ccc2ccccc21 ZINC000005137953 351339610 /nfs/dbraw/zinc/33/96/10/351339610.db2.gz ZOXTWOMKOBJEAA-UHFFFAOYSA-N 0 0 185.270 3.608 10 0 AHAERN CCCc1ccncc1-c1ccccc1 ZINC000005139231 167106665 /nfs/dbraw/zinc/10/66/65/167106665.db2.gz MDEOSZGDWLTQLL-UHFFFAOYSA-N 0 0 197.281 3.701 10 0 AHAERN CC[C@@H](C)c1ccc2ncccc2c1 ZINC000005140002 167495006 /nfs/dbraw/zinc/49/50/06/167495006.db2.gz AUBLFWWZTFFBNU-SNVBAGLBSA-N 0 0 185.270 3.748 10 0 AHAERN CC[C@H](C)c1ccc2ncccc2c1 ZINC000005140107 342999123 /nfs/dbraw/zinc/99/91/23/342999123.db2.gz AUBLFWWZTFFBNU-JTQLQIEISA-N 0 0 185.270 3.748 10 0 AHAERN CC(C)=CCCC(C)=C=CCC(C)=O ZINC000005158664 571835942 /nfs/dbraw/zinc/83/59/42/571835942.db2.gz KLTSFSBBACTSHL-UHFFFAOYSA-N 0 0 192.302 3.813 10 0 AHAERN Nc1cccc2sc3ccccc3c21 ZINC000005162802 571835443 /nfs/dbraw/zinc/83/54/43/571835443.db2.gz LUOGSASRTYIOCL-UHFFFAOYSA-N 0 0 199.278 3.637 10 0 AHAERN CCC/C=C/c1ccc(NC)cc1 ZINC000005307799 171016393 /nfs/dbraw/zinc/01/63/93/171016393.db2.gz LKWZBYBZZFVOPT-AATRIKPKSA-N 0 0 175.275 3.542 10 0 AHAERN CCCCC(C)(CCCC)OC ZINC000005308299 166845335 /nfs/dbraw/zinc/84/53/35/166845335.db2.gz HOXFACPEYHARBJ-UHFFFAOYSA-N 0 0 172.312 3.772 10 0 AHAERN CCCCc1nccc2ccccc21 ZINC000005310325 571838612 /nfs/dbraw/zinc/83/86/12/571838612.db2.gz KXAVXNWSOPHOON-UHFFFAOYSA-N 0 0 185.270 3.577 10 0 AHAERN CC(C)(C)c1cc(=S)ss1 ZINC000005354994 166383975 /nfs/dbraw/zinc/38/39/75/166383975.db2.gz UOJANZHJPTXZPP-UHFFFAOYSA-N 0 0 190.358 3.837 10 0 AHAERN CC(C)(C)c1cccc2ncccc21 ZINC000005355740 571838230 /nfs/dbraw/zinc/83/82/30/571838230.db2.gz CWVYYJOLOZEZOF-UHFFFAOYSA-N 0 0 185.270 3.532 10 0 AHAERN C[C@@H]1CCn2cc(-c3ccccc3)cc21 ZINC000005369806 168443593 /nfs/dbraw/zinc/44/35/93/168443593.db2.gz KOFNLGDCANBEBC-LLVKDONJSA-N 0 0 197.281 3.662 10 0 AHAERN CC(C)CCCC(=O)CCC(C)C ZINC000005373432 166438360 /nfs/dbraw/zinc/43/83/60/166438360.db2.gz DCKZDPOUHNXIBI-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN Cc1ccc(N(C(C)C)C(C)C)cc1 ZINC000005419794 168820970 /nfs/dbraw/zinc/82/09/70/168820970.db2.gz YHAUWIDCXVQMPN-UHFFFAOYSA-N 0 0 191.318 3.618 10 0 AHAERN CC(C)c1ccc(C(C)(C)C)c(O)c1 ZINC000005447540 166629816 /nfs/dbraw/zinc/62/98/16/166629816.db2.gz DBULNVCXEGKRIX-UHFFFAOYSA-N 0 0 192.302 3.813 10 0 AHAERN c1ccc2c(c1)sc1c2CCCC1 ZINC000005518030 351345725 /nfs/dbraw/zinc/34/57/25/351345725.db2.gz JCLPOPNXITXHOR-UHFFFAOYSA-N 0 0 188.295 3.780 10 0 AHAERN Cc1cc(N)c(C(C)C)cc1C(C)C ZINC000005587402 571839449 /nfs/dbraw/zinc/83/94/49/571839449.db2.gz AKPDNLVUTWTDBA-UHFFFAOYSA-N 0 0 191.318 3.824 10 0 AHAERN CCCc1cc[nH]c1-c1ccccc1 ZINC000005591532 571840722 /nfs/dbraw/zinc/84/07/22/571840722.db2.gz CLEFSLBRBJQVSC-UHFFFAOYSA-N 0 0 185.270 3.634 10 0 AHAERN CC[C@H](O)C[C@@H](C)CCC=C(C)C ZINC000005651152 167667048 /nfs/dbraw/zinc/66/70/48/167667048.db2.gz YBQNRPVINYKRGQ-RYUDHWBXSA-N 0 0 184.323 3.530 10 0 AHAERN CC[C@H](O)C[C@H](C)CCC=C(C)C ZINC000005651153 343005934 /nfs/dbraw/zinc/00/59/34/343005934.db2.gz YBQNRPVINYKRGQ-NEPJUHHUSA-N 0 0 184.323 3.530 10 0 AHAERN CC[C@@H](O)C[C@@H](C)CCC=C(C)C ZINC000005651478 343005797 /nfs/dbraw/zinc/00/57/97/343005797.db2.gz YBQNRPVINYKRGQ-NWDGAFQWSA-N 0 0 184.323 3.530 10 0 AHAERN Cc1cc2ccsc2c(C)c1 ZINC000005749727 571847001 /nfs/dbraw/zinc/84/70/01/571847001.db2.gz BBFDWPDXNYPRKW-UHFFFAOYSA-N 0 0 162.257 3.518 10 0 AHAERN CC(C)c1ccc(C=O)c(C(C)C)c1 ZINC000005761574 571848842 /nfs/dbraw/zinc/84/88/42/571848842.db2.gz BKKSNSNLVYSDPD-UHFFFAOYSA-N 0 0 190.286 3.746 10 0 AHAERN CC/C(C)=C/C=C/C(C)(C)CC(C)=O ZINC000005761766 343007848 /nfs/dbraw/zinc/00/78/48/343007848.db2.gz VPZYONTUNFBDMF-BIZFVBGRSA-N 0 0 194.318 3.904 10 0 AHAERN CC1=CC=C2C(C)(C)CCC[C@]2(C)O1 ZINC000005766879 343008436 /nfs/dbraw/zinc/00/84/36/343008436.db2.gz KYOSLSFHZKIUEM-ZDUSSCGKSA-N 0 0 192.302 3.816 10 0 endogenous,in-man AHAERN CC1=CC=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000005766881 343008439 /nfs/dbraw/zinc/00/84/39/343008439.db2.gz KYOSLSFHZKIUEM-CYBMUJFWSA-N 0 0 192.302 3.816 10 0 endogenous,in-man AHAERN CC1=CCCC(C)(C)[C@@H]1CC[C@@H](C)O ZINC000005766958 571847553 /nfs/dbraw/zinc/84/75/53/571847553.db2.gz OTXZMHLBFXFVPP-VXGBXAGGSA-N 0 0 196.334 3.530 10 0 AHAERN CC1=CCCC(C)(C)[C@@H]1CC[C@H](C)O ZINC000005766960 571848230 /nfs/dbraw/zinc/84/82/30/571848230.db2.gz OTXZMHLBFXFVPP-NWDGAFQWSA-N 0 0 196.334 3.530 10 0 AHAERN CC1=CCCC(C)(C)[C@H]1CC[C@H](C)O ZINC000005767010 166721465 /nfs/dbraw/zinc/72/14/65/166721465.db2.gz OTXZMHLBFXFVPP-RYUDHWBXSA-N 0 0 196.334 3.530 10 0 AHAERN C[C@@H](O)CC(C)(C)C1CCC(C)CC1 ZINC000005767819 166743848 /nfs/dbraw/zinc/74/38/48/166743848.db2.gz LHABIGFBCKFBML-MOENNCHZSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@H](O)CC(C)(C)C1CCC(C)CC1 ZINC000005767820 571848611 /nfs/dbraw/zinc/84/86/11/571848611.db2.gz LHABIGFBCKFBML-CXQJBGSLSA-N 0 0 198.350 3.610 10 0 AHAERN Cc1ccc2c(c1)oc1ccccc12 ZINC000005782185 343008270 /nfs/dbraw/zinc/00/82/70/343008270.db2.gz JBFNQSFELCVNBC-UHFFFAOYSA-N 0 0 182.222 3.894 10 0 AHAERN Cc1csc2c1cccc2C ZINC000005782781 168923096 /nfs/dbraw/zinc/92/30/96/168923096.db2.gz YFVIULBUVVXJQI-UHFFFAOYSA-N 0 0 162.257 3.518 10 0 AHAERN CCCC(=O)[C@@H]1C(C)=CCCC1(C)C ZINC000005819662 571850562 /nfs/dbraw/zinc/85/05/62/571850562.db2.gz DQPRWWZFNOOABK-LBPRGKRZSA-N 0 0 194.318 3.738 10 0 AHAERN CCCCCC(=O)c1ccccc1C ZINC000005820162 343008509 /nfs/dbraw/zinc/00/85/09/343008509.db2.gz NTXYYQUXNBQSIQ-UHFFFAOYSA-N 0 0 190.286 3.758 10 0 AHAERN CCCCCC[C@@H]1CCCCC1=O ZINC000005820480 166857510 /nfs/dbraw/zinc/85/75/10/166857510.db2.gz UVYQGAQIYBOCMD-LLVKDONJSA-N 0 0 182.307 3.716 10 0 AHAERN CCCCCC[C@H]1CCCCC1=O ZINC000005820588 343008902 /nfs/dbraw/zinc/00/89/02/343008902.db2.gz UVYQGAQIYBOCMD-NSHDSACASA-N 0 0 182.307 3.716 10 0 AHAERN CCCC[C@@H](CC)CC[C@@H](C)CO ZINC000005821748 166914695 /nfs/dbraw/zinc/91/46/95/166914695.db2.gz WIGUFLFEXMLRCT-VXGBXAGGSA-N 0 0 186.339 3.611 10 0 AHAERN CCOC(C)(C)[C@H]1CC=C(C)CC1 ZINC000005858503 571850614 /nfs/dbraw/zinc/85/06/14/571850614.db2.gz LWKGCNDRHJSSMK-NSHDSACASA-N 0 0 182.307 3.548 10 0 AHAERN CCO[C@@]1(C(C)C)CC=C(C)CC1 ZINC000005861006 571851633 /nfs/dbraw/zinc/85/16/33/571851633.db2.gz RRBKCTRIOFQEIN-LBPRGKRZSA-N 0 0 182.307 3.548 10 0 AHAERN CC(C)C1=Nc2ccccc2C1(C)C ZINC000005906601 571854518 /nfs/dbraw/zinc/85/45/18/571854518.db2.gz APYAKKJHTFWKHJ-UHFFFAOYSA-N 0 0 187.286 3.706 10 0 AHAERN CC[C@@H](C)c1cccc2cccnc21 ZINC000005922810 167495381 /nfs/dbraw/zinc/49/53/81/167495381.db2.gz UNHPNXMTAQYTRG-SNVBAGLBSA-N 0 0 185.270 3.748 10 0 AHAERN O=Nc1ccc(-c2ccccc2)cc1 ZINC000005934570 560203815 /nfs/dbraw/zinc/20/38/15/560203815.db2.gz LLRWRZXFCFYZCL-UHFFFAOYSA-N 0 0 183.210 3.752 10 0 in-vitro AHAERN CC1=C[C@@H](C)[C@@H](C(=O)C(C)(C)C)CC1 ZINC000006030567 343011564 /nfs/dbraw/zinc/01/15/64/343011564.db2.gz ALXMEIMLYKTBHU-MNOVXSKESA-N 0 0 194.318 3.594 10 0 AHAERN CC1=C[C@@H](C)[C@H](C(=O)C(C)(C)C)CC1 ZINC000006030572 343011555 /nfs/dbraw/zinc/01/15/55/343011555.db2.gz ALXMEIMLYKTBHU-GHMZBOCLSA-N 0 0 194.318 3.594 10 0 AHAERN C[C@@H](O)CC[C@@H]1[C@H](C)CCCC1(C)C ZINC000006030815 168391716 /nfs/dbraw/zinc/39/17/16/168391716.db2.gz UZWOWEPOVKVMEL-IJLUTSLNSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H](O)CC[C@H]1[C@H](C)CCCC1(C)C ZINC000006030825 168390472 /nfs/dbraw/zinc/39/04/72/168390472.db2.gz UZWOWEPOVKVMEL-UTUOFQBUSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@H](c1ccccc1)c1ccccc1O ZINC000006037195 343011572 /nfs/dbraw/zinc/01/15/72/343011572.db2.gz WYZIVNCBUWDCOZ-LLVKDONJSA-N 0 0 198.265 3.544 10 0 AHAERN CC1=C[C@H](C)[C@@H](C(=O)C(C)(C)C)CC1 ZINC000006037290 343011590 /nfs/dbraw/zinc/01/15/90/343011590.db2.gz ALXMEIMLYKTBHU-QWRGUYRKSA-N 0 0 194.318 3.594 10 0 AHAERN CC1=C[C@H](C)[C@H](C(=O)C(C)(C)C)CC1 ZINC000006037295 343011545 /nfs/dbraw/zinc/01/15/45/343011545.db2.gz ALXMEIMLYKTBHU-WDEREUQCSA-N 0 0 194.318 3.594 10 0 AHAERN C[C@@H](O)CC[C@@H]1[C@@H](C)CCCC1(C)C ZINC000006037493 571856888 /nfs/dbraw/zinc/85/68/88/571856888.db2.gz UZWOWEPOVKVMEL-QJPTWQEYSA-N 0 0 198.350 3.610 10 0 AHAERN Cc1c(C(C)C)cc(O)cc1C(C)C ZINC000006068994 571855820 /nfs/dbraw/zinc/85/58/20/571855820.db2.gz XIGWUCHSXAEESN-UHFFFAOYSA-N 0 0 192.302 3.947 10 0 AHAERN Cc1c(O)cc(C(C)C)cc1C(C)C ZINC000006068998 571857323 /nfs/dbraw/zinc/85/73/23/571857323.db2.gz LNJNFIIJYVIYBA-UHFFFAOYSA-N 0 0 192.302 3.947 10 0 AHAERN Cc1c(C(C)C)ccc(O)c1C(C)C ZINC000006069019 343012404 /nfs/dbraw/zinc/01/24/04/343012404.db2.gz NAOSNNNYJHAZGY-UHFFFAOYSA-N 0 0 192.302 3.947 10 0 endogenous,in-man AHAERN Cc1cc(C(C)C)c(O)cc1C(C)C ZINC000006069801 571856543 /nfs/dbraw/zinc/85/65/43/571856543.db2.gz UJBZHJNVIHOWFA-UHFFFAOYSA-N 0 0 192.302 3.947 10 0 endogenous,in-man AHAERN Cc1ccc(C(C)C)c(O)c1C(C)C ZINC000006070723 343012434 /nfs/dbraw/zinc/01/24/34/343012434.db2.gz KEGGEHPMMDYTGB-UHFFFAOYSA-N 0 0 192.302 3.947 10 0 endogenous,in-man AHAERN Clc1csc(Cl)c1Cl ZINC000006091062 169026352 /nfs/dbraw/zinc/02/63/52/169026352.db2.gz OVXHWSNIIKNEQD-UHFFFAOYSA-N 0 0 187.478 3.708 10 0 AHAERN O=Nc1cccc(-c2ccccc2)c1 ZINC000006116760 571860157 /nfs/dbraw/zinc/86/01/57/571860157.db2.gz UVUYJSIOQIOBGD-UHFFFAOYSA-N 0 0 183.210 3.752 10 0 AHAERN O=Nc1cccc2c1-c1ccccc1C2 ZINC000006116902 343012805 /nfs/dbraw/zinc/01/28/05/343012805.db2.gz HZOVFWIORLKZPT-UHFFFAOYSA-N 0 0 195.221 3.656 10 0 AHAERN Clc1oc2ccccc2c1Cl ZINC000006117587 169027699 /nfs/dbraw/zinc/02/76/99/169027699.db2.gz DRYOZJSANXTFJE-UHFFFAOYSA-N 0 0 187.025 3.740 10 0 AHAERN CC(C)(C)c1coc2ccccc21 ZINC000006305529 166387350 /nfs/dbraw/zinc/38/73/50/166387350.db2.gz ASVOZJQDBWUGDB-UHFFFAOYSA-N 0 0 174.243 3.730 10 0 AHAERN Cc1ccc(-c2ccc(Cl)cc2)[nH]1 ZINC000006522269 571869890 /nfs/dbraw/zinc/86/98/90/571869890.db2.gz KIVHGSJWPYGKQV-UHFFFAOYSA-N 0 0 191.661 3.644 10 0 AHAERN Cc1nsc2ccc3ccccc3c12 ZINC000006721272 169007080 /nfs/dbraw/zinc/00/70/80/169007080.db2.gz WMZCGJLJTTWUCI-UHFFFAOYSA-N 0 0 199.278 3.758 10 0 AHAERN CC[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC000008216071 571896648 /nfs/dbraw/zinc/89/66/48/571896648.db2.gz VEOXLTCFXMGRJW-JTQLQIEISA-N 0 0 199.297 3.683 10 0 AHAERN C[C@@H]1CCCc2[nH]c3ccccc3c21 ZINC000008216072 351355217 /nfs/dbraw/zinc/35/52/17/351355217.db2.gz CXYGSAKCLNDSEG-SECBINFHSA-N 0 0 185.270 3.608 10 0 AHAERN C[C@H]1CCCc2[nH]c3ccccc3c21 ZINC000008216075 343017601 /nfs/dbraw/zinc/01/76/01/343017601.db2.gz CXYGSAKCLNDSEG-VIFPVBQESA-N 0 0 185.270 3.608 10 0 AHAERN Cc1cc2c3c([nH]c2c(C)c1)CCCC3 ZINC000008548928 168740310 /nfs/dbraw/zinc/74/03/10/168740310.db2.gz NUJHJMFXROPYJB-UHFFFAOYSA-N 0 0 199.297 3.664 10 0 AHAERN Cc1cc(C)c2cccc(Cl)c2n1 ZINC000009880322 168744359 /nfs/dbraw/zinc/74/43/59/168744359.db2.gz WKQVVELXWGPGIY-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN C/C(=C/c1ccncc1)c1ccccc1 ZINC000013213197 166049233 /nfs/dbraw/zinc/04/92/33/166049233.db2.gz AWWAHVAEDWANSA-QXMHVHEDSA-N 0 0 195.265 3.642 10 0 AHAERN CCCCCc1ccc2ccccc2n1 ZINC000013282458 560213734 /nfs/dbraw/zinc/21/37/34/560213734.db2.gz GMTGCIAJHZEUNB-UHFFFAOYSA-N 0 0 199.297 3.968 10 0 biogenic,in-vitro AHAERN CCCCCCc1nc(CC)cs1 ZINC000013437585 571751413 /nfs/dbraw/zinc/75/14/13/571751413.db2.gz GEAVQUKRDITJTP-UHFFFAOYSA-N 0 0 197.347 3.828 10 0 endogenous,in-man AHAERN CCC1=C(C)C[C@@H](C)[C@@H](CC)O1 ZINC000013458395 571981108 /nfs/dbraw/zinc/98/11/08/571981108.db2.gz DCFJGGUMNKFZSD-PSASIEDQSA-N 0 0 168.280 3.505 10 0 AHAERN CCC1=C(C)C[C@@H](C)[C@H](CC)O1 ZINC000013458399 166810289 /nfs/dbraw/zinc/81/02/89/166810289.db2.gz DCFJGGUMNKFZSD-SCZZXKLOSA-N 0 0 168.280 3.505 10 0 AHAERN CCC1=C(C)C[C@H](C)[C@@H](CC)O1 ZINC000013458401 166811563 /nfs/dbraw/zinc/81/15/63/166811563.db2.gz DCFJGGUMNKFZSD-WCBMZHEXSA-N 0 0 168.280 3.505 10 0 AHAERN COc1c(C(C)C)cccc1C(C)C ZINC000013779583 168224359 /nfs/dbraw/zinc/22/43/59/168224359.db2.gz NJIYPCPZILAPKS-UHFFFAOYSA-N 0 0 192.302 3.942 10 0 AHAERN CCc1ccccc1-c1ccc(O)cc1 ZINC000013840583 571993820 /nfs/dbraw/zinc/99/38/20/571993820.db2.gz RBHMMRHZYYAJAW-UHFFFAOYSA-N 0 0 198.265 3.622 10 0 AHAERN CCc1cccc(-c2ccc(O)cc2)c1 ZINC000013840585 167746147 /nfs/dbraw/zinc/74/61/47/167746147.db2.gz PDAQOYKNEDTQCV-UHFFFAOYSA-N 0 0 198.265 3.622 10 0 AHAERN CC(C)=CCc1ccc2cc[nH]c2c1 ZINC000014590768 166420117 /nfs/dbraw/zinc/42/01/17/166420117.db2.gz TWLHPMIWLQNHPM-UHFFFAOYSA-N 0 0 185.270 3.677 10 0 biogenic,in-vitro AHAERN CC[C@@H](C)/C=C/C=C/Cc1ccc[nH]1 ZINC000014592588 571759045 /nfs/dbraw/zinc/75/90/45/571759045.db2.gz RELVCHCEXWJMHA-KBPVAXJMSA-N 0 0 189.302 3.716 10 0 AHAERN CC[C@H](C)/C=C/C=C/Cc1ccc[nH]1 ZINC000014592589 571759064 /nfs/dbraw/zinc/75/90/64/571759064.db2.gz RELVCHCEXWJMHA-FOWDUTDDSA-N 0 0 189.302 3.716 10 0 AHAERN CCC/C(=C\CO)CC/C=C(/C)CC ZINC000014593124 571759277 /nfs/dbraw/zinc/75/92/77/571759277.db2.gz FBSWBQSJHFYSGH-FECSTBLZSA-N 0 0 196.334 3.842 10 0 AHAERN CC(=O)c1ccc(C)c2ccc(C)c-2c1 ZINC000014615015 351374795 /nfs/dbraw/zinc/37/47/95/351374795.db2.gz ZZVZGSYEPXXGHA-UHFFFAOYSA-N 0 0 198.265 3.611 10 0 AHAERN Cc1ccc(C)c(-c2cccc(N)c2)c1 ZINC000014628991 168804556 /nfs/dbraw/zinc/80/45/56/168804556.db2.gz RWERNURYERZWQT-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN CCCCO[C@@H](C)c1ccccc1 ZINC000014651618 351374992 /nfs/dbraw/zinc/37/49/92/351374992.db2.gz AQGPVCBVZAHVBN-NSHDSACASA-N 0 0 178.275 3.564 10 0 AHAERN CCCCO[C@H](C)c1ccccc1 ZINC000014651620 351374666 /nfs/dbraw/zinc/37/46/66/351374666.db2.gz AQGPVCBVZAHVBN-LLVKDONJSA-N 0 0 178.275 3.564 10 0 AHAERN CCCCC/C=C\C/C=C/CCCO ZINC000014771600 166846327 /nfs/dbraw/zinc/84/63/27/166846327.db2.gz RJYCGBIUZZJVLQ-IXWMQOLASA-N 0 0 196.334 3.842 10 0 AHAERN CC(=O)CCC1=C(C)C=CCC1(C)C ZINC000014822344 574413683 /nfs/dbraw/zinc/41/36/83/574413683.db2.gz SQFRYZPEWOZAKJ-UHFFFAOYSA-N 0 0 192.302 3.658 10 0 endogenous,in-man AHAERN CC1=C(CC[C@@H](C)O)C(C)(C)CCC1 ZINC000014822381 574413681 /nfs/dbraw/zinc/41/36/81/574413681.db2.gz VSYLEWGIVLSDIY-LLVKDONJSA-N 0 0 196.334 3.674 10 0 endogenous,in-man AHAERN CC1=C(CC[C@H](C)O)C(C)(C)CCC1 ZINC000014822384 574413682 /nfs/dbraw/zinc/41/36/82/574413682.db2.gz VSYLEWGIVLSDIY-NSHDSACASA-N 0 0 196.334 3.674 10 0 endogenous,in-man AHAERN Cc1cscc1-c1ccccc1 ZINC000014949864 572025259 /nfs/dbraw/zinc/02/52/59/572025259.db2.gz WHBGQMUVLIUNQW-UHFFFAOYSA-N 0 0 174.268 3.724 10 0 AHAERN ONC1CCCCCCCCCCC1 ZINC000014985028 351376805 /nfs/dbraw/zinc/37/68/05/351376805.db2.gz ONJROZXGUDYWIH-UHFFFAOYSA-N 0 0 199.338 3.639 10 0 AHAERN Cc1cc(O)c(C(C)C)c(C(C)C)c1 ZINC000015119191 572035272 /nfs/dbraw/zinc/03/52/72/572035272.db2.gz VCHHFAUHGLYASU-UHFFFAOYSA-N 0 0 192.302 3.947 10 0 endogenous,in-man AHAERN Cc1cc(O)c(C(C)C)cc1C(C)C ZINC000015119192 572034373 /nfs/dbraw/zinc/03/43/73/572034373.db2.gz NNSNIMZGXLISCO-UHFFFAOYSA-N 0 0 192.302 3.947 10 0 endogenous,in-man AHAERN Cc1cc(C(C)C)cc(O)c1C(C)C ZINC000015119193 572032305 /nfs/dbraw/zinc/03/23/05/572032305.db2.gz LQCZIRGCOVVBOQ-UHFFFAOYSA-N 0 0 192.302 3.947 10 0 endogenous,in-man AHAERN CCCC[C@@H](CC)C(=O)CCC ZINC000015204813 166914920 /nfs/dbraw/zinc/91/49/20/166914920.db2.gz SSOMPMJXZBMODL-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN CCCCCC(=O)C(CC)CC ZINC000015205345 572742639 /nfs/dbraw/zinc/74/26/39/572742639.db2.gz ISLXWYQRHBFDEQ-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN Cc1cccc(-c2cccs2)c1 ZINC000016945843 168859031 /nfs/dbraw/zinc/85/90/31/168859031.db2.gz SMKMXVCNNASZEB-UHFFFAOYSA-N 0 0 174.268 3.724 10 0 AHAERN COc1cccc(-c2ccc(C)cc2)c1 ZINC000016947037 168265831 /nfs/dbraw/zinc/26/58/31/168265831.db2.gz BLYBSGZCQHWMMJ-UHFFFAOYSA-N 0 0 198.265 3.671 10 0 AHAERN COc1ccccc1-c1ccc(C)cc1 ZINC000016947043 168275451 /nfs/dbraw/zinc/27/54/51/168275451.db2.gz PNWKXOLTCMKUJZ-UHFFFAOYSA-N 0 0 198.265 3.671 10 0 AHAERN COc1cccc(-c2cccc(C)c2)c1 ZINC000016947080 168266786 /nfs/dbraw/zinc/26/67/86/168266786.db2.gz NRGRNDDCMMAYPV-UHFFFAOYSA-N 0 0 198.265 3.671 10 0 AHAERN COc1ccccc1-c1cccc(C)c1 ZINC000016947082 168275716 /nfs/dbraw/zinc/27/57/16/168275716.db2.gz PKYZPSIOVXTELQ-UHFFFAOYSA-N 0 0 198.265 3.671 10 0 AHAERN COc1ccc(-c2ccccc2C)cc1 ZINC000016947379 168242880 /nfs/dbraw/zinc/24/28/80/168242880.db2.gz GNYJFZNIMOMCCF-UHFFFAOYSA-N 0 0 198.265 3.671 10 0 AHAERN COc1cccc(-c2ccccc2C)c1 ZINC000016947382 168265734 /nfs/dbraw/zinc/26/57/34/168265734.db2.gz VFBNCHIKVGMGHL-UHFFFAOYSA-N 0 0 198.265 3.671 10 0 AHAERN C/C(=C\c1ccncc1)c1ccccc1 ZINC000017141177 166051143 /nfs/dbraw/zinc/05/11/43/166051143.db2.gz AWWAHVAEDWANSA-VAWYXSNFSA-N 0 0 195.265 3.642 10 0 AHAERN CC[C@@H](C)Nc1ccc(C)c(C)c1 ZINC000019772183 572197815 /nfs/dbraw/zinc/19/78/15/572197815.db2.gz UYRFXZMCMONWSK-LLVKDONJSA-N 0 0 177.291 3.514 10 0 AHAERN CC[C@H](C)Nc1ccc(C)c(C)c1 ZINC000019772184 572196427 /nfs/dbraw/zinc/19/64/27/572196427.db2.gz UYRFXZMCMONWSK-NSHDSACASA-N 0 0 177.291 3.514 10 0 AHAERN CN(c1cccc(Cl)c1)C(C)(C)C ZINC000019801633 167893010 /nfs/dbraw/zinc/89/30/10/167893010.db2.gz HZWJRISVGAODEN-UHFFFAOYSA-N 0 0 197.709 3.575 10 0 AHAERN CC(C)(C)Nc1cccc(Cl)c1 ZINC000019801635 166364632 /nfs/dbraw/zinc/36/46/32/166364632.db2.gz LDAXLSHIKGKJCN-UHFFFAOYSA-N 0 0 183.682 3.550 10 0 AHAERN CCC(=O)c1c(C)c(C)cc(C)c1C ZINC000019803167 166777197 /nfs/dbraw/zinc/77/71/97/166777197.db2.gz ZXNMFEBHZJZEKE-UHFFFAOYSA-N 0 0 190.286 3.513 10 0 AHAERN CC(C)CC[C@@H](C)Nc1ccccc1 ZINC000019879622 351396541 /nfs/dbraw/zinc/39/65/41/351396541.db2.gz HRCRVYGUWWYUHH-GFCCVEGCSA-N 0 0 191.318 3.923 10 0 AHAERN CC(C)CC[C@H](C)Nc1ccccc1 ZINC000019879624 351396978 /nfs/dbraw/zinc/39/69/78/351396978.db2.gz HRCRVYGUWWYUHH-LBPRGKRZSA-N 0 0 191.318 3.923 10 0 AHAERN CC1(C)CC[C@]2(C)CCC(=O)C[C@@H]2C1 ZINC000019910230 560094230 /nfs/dbraw/zinc/09/42/30/560094230.db2.gz ZKWRFQLWFFFFRA-MFKMUULPSA-N 0 0 194.318 3.572 10 0 biogenic,in-vitro AHAERN C[C@@H](Nc1ccc(Cl)cc1)C1CC1 ZINC000019921128 168386456 /nfs/dbraw/zinc/38/64/56/168386456.db2.gz XLIBPEHRABKSAX-MRVPVSSYSA-N 0 0 195.693 3.550 10 0 AHAERN C[C@H](Nc1ccc(Cl)cc1)C1CC1 ZINC000019921129 168570891 /nfs/dbraw/zinc/57/08/91/168570891.db2.gz XLIBPEHRABKSAX-QMMMGPOBSA-N 0 0 195.693 3.550 10 0 AHAERN CCC(CC)Nc1ccc(F)cc1F ZINC000019952017 572208203 /nfs/dbraw/zinc/20/82/03/572208203.db2.gz ZFGQMZNPODXZND-UHFFFAOYSA-N 0 0 199.244 3.565 10 0 AHAERN CCC[C@@H](C)Nc1ccc(F)cc1F ZINC000019952443 167035225 /nfs/dbraw/zinc/03/52/25/167035225.db2.gz GTFOUJGWATXWEL-MRVPVSSYSA-N 0 0 199.244 3.565 10 0 AHAERN CCC[C@H](C)Nc1ccc(F)cc1F ZINC000019952448 167069401 /nfs/dbraw/zinc/06/94/01/167069401.db2.gz GTFOUJGWATXWEL-QMMMGPOBSA-N 0 0 199.244 3.565 10 0 AHAERN CCC(CC)Nc1ccc(C)cc1C ZINC000019978585 572206650 /nfs/dbraw/zinc/20/66/50/572206650.db2.gz LVSPIASIVQPIOF-UHFFFAOYSA-N 0 0 191.318 3.904 10 0 AHAERN CCCCCNc1ccccc1Cl ZINC000019979222 166865970 /nfs/dbraw/zinc/86/59/70/166865970.db2.gz XCORLKWWHILRBK-UHFFFAOYSA-N 0 0 197.709 3.942 10 0 AHAERN CC[C@@H](C)Nc1cccc(Cl)c1C ZINC000019979303 572208748 /nfs/dbraw/zinc/20/87/48/572208748.db2.gz VUUKPSVASCMCSU-MRVPVSSYSA-N 0 0 197.709 3.859 10 0 AHAERN CC[C@H](C)Nc1cccc(Cl)c1C ZINC000019979307 167621541 /nfs/dbraw/zinc/62/15/41/167621541.db2.gz VUUKPSVASCMCSU-QMMMGPOBSA-N 0 0 197.709 3.859 10 0 AHAERN Cc1ccc(F)cc1NCCC(C)C ZINC000019982897 572208131 /nfs/dbraw/zinc/20/81/31/572208131.db2.gz KJBNSLFZJSSBED-UHFFFAOYSA-N 0 0 195.281 3.592 10 0 AHAERN CCC[C@@H](C)CNc1cccc(F)c1 ZINC000019983699 167028974 /nfs/dbraw/zinc/02/89/74/167028974.db2.gz KMGAMCRMMFFGHH-SNVBAGLBSA-N 0 0 195.281 3.674 10 0 AHAERN CCC[C@H](C)CNc1cccc(F)c1 ZINC000019983703 167068843 /nfs/dbraw/zinc/06/88/43/167068843.db2.gz KMGAMCRMMFFGHH-JTQLQIEISA-N 0 0 195.281 3.674 10 0 AHAERN CCC[C@@H](C)Nc1ccccc1Cl ZINC000019985340 167035279 /nfs/dbraw/zinc/03/52/79/167035279.db2.gz CTYRVDACWZBZRL-SECBINFHSA-N 0 0 197.709 3.941 10 0 AHAERN CCC[C@H](C)Nc1ccccc1Cl ZINC000019985344 167071632 /nfs/dbraw/zinc/07/16/32/167071632.db2.gz CTYRVDACWZBZRL-VIFPVBQESA-N 0 0 197.709 3.941 10 0 AHAERN Cc1ccc(NCCC(C)C)cc1C ZINC000019990492 572205988 /nfs/dbraw/zinc/20/59/88/572205988.db2.gz VUGQSPNTAYSUJH-UHFFFAOYSA-N 0 0 191.318 3.761 10 0 AHAERN CC[C@@H](C)CNc1ccc(C)c(F)c1 ZINC000020005057 572207372 /nfs/dbraw/zinc/20/73/72/572207372.db2.gz PFNMBHFZIGMSJH-SECBINFHSA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@H](C)CNc1ccc(C)c(F)c1 ZINC000020005060 572205874 /nfs/dbraw/zinc/20/58/74/572205874.db2.gz PFNMBHFZIGMSJH-VIFPVBQESA-N 0 0 195.281 3.592 10 0 AHAERN CCC[C@@H](C)CNc1ccc(C)cc1 ZINC000020006137 167030044 /nfs/dbraw/zinc/03/00/44/167030044.db2.gz UIWLSPIBZQVRGH-GFCCVEGCSA-N 0 0 191.318 3.843 10 0 AHAERN CCC[C@H](C)CNc1ccc(C)cc1 ZINC000020006140 167067127 /nfs/dbraw/zinc/06/71/27/167067127.db2.gz UIWLSPIBZQVRGH-LBPRGKRZSA-N 0 0 191.318 3.843 10 0 AHAERN CCC[C@@H](C)Nc1ccc(C)cc1C ZINC000020012340 572208047 /nfs/dbraw/zinc/20/80/47/572208047.db2.gz CJEILQORXPJOOJ-GFCCVEGCSA-N 0 0 191.318 3.904 10 0 AHAERN CCC[C@H](C)Nc1ccc(C)cc1C ZINC000020012343 167069624 /nfs/dbraw/zinc/06/96/24/167069624.db2.gz CJEILQORXPJOOJ-LBPRGKRZSA-N 0 0 191.318 3.904 10 0 AHAERN CCCc1ccc(NCC(C)C)cc1 ZINC000020021766 343065985 /nfs/dbraw/zinc/06/59/85/343065985.db2.gz HYZYGVWARXHJPL-UHFFFAOYSA-N 0 0 191.318 3.707 10 0 AHAERN CC[C@@H](C)CNc1ccccc1Cl ZINC000020023152 572206158 /nfs/dbraw/zinc/20/61/58/572206158.db2.gz OUNHKEIGSNSYMW-SECBINFHSA-N 0 0 197.709 3.798 10 0 AHAERN CC[C@H](C)CNc1ccccc1Cl ZINC000020023154 572208605 /nfs/dbraw/zinc/20/86/05/572208605.db2.gz OUNHKEIGSNSYMW-VIFPVBQESA-N 0 0 197.709 3.798 10 0 AHAERN CCC(CC)CC[C@@H](O)CC(C)C ZINC000020232063 166790019 /nfs/dbraw/zinc/79/00/19/166790019.db2.gz BSQKDZOIFSQWHV-GFCCVEGCSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCCNc1ccccc1C ZINC000020358950 171169717 /nfs/dbraw/zinc/16/97/17/171169717.db2.gz UYZLKJAXJYIOOM-UHFFFAOYSA-N 0 0 191.318 3.987 10 0 AHAERN CCCCCCNc1ccc(F)cc1 ZINC000020358977 171038551 /nfs/dbraw/zinc/03/85/51/171038551.db2.gz NDWGKQWEXQXDGG-UHFFFAOYSA-N 0 0 195.281 3.818 10 0 AHAERN CCCCCCNc1cccc(F)c1 ZINC000020359005 171169542 /nfs/dbraw/zinc/16/95/42/171169542.db2.gz VPLNRGBUHTYMJN-UHFFFAOYSA-N 0 0 195.281 3.818 10 0 AHAERN CCCCCCNc1ccccc1F ZINC000020359110 171038869 /nfs/dbraw/zinc/03/88/69/171038869.db2.gz ZURIHJSDFIHDEL-UHFFFAOYSA-N 0 0 195.281 3.818 10 0 AHAERN CCCCNc1ccc(C)cc1Cl ZINC000020359188 572220141 /nfs/dbraw/zinc/22/01/41/572220141.db2.gz ITYWPMAROWULHA-UHFFFAOYSA-N 0 0 197.709 3.860 10 0 AHAERN Cc1ccc(NCCC(C)C)c(F)c1 ZINC000020359888 572220003 /nfs/dbraw/zinc/22/00/03/572220003.db2.gz CDKZZCWLETXDNV-UHFFFAOYSA-N 0 0 195.281 3.592 10 0 AHAERN Cc1ccc(F)c(NCCC(C)C)c1 ZINC000020360081 168818765 /nfs/dbraw/zinc/81/87/65/168818765.db2.gz HDJDRCNPTPEXRJ-UHFFFAOYSA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@@H](C)CNc1ccc(C)cc1F ZINC000020371224 572217747 /nfs/dbraw/zinc/21/77/47/572217747.db2.gz JWXNULQMOLXWPH-SECBINFHSA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@H](C)CNc1ccc(C)cc1F ZINC000020371226 572219718 /nfs/dbraw/zinc/21/97/18/572219718.db2.gz JWXNULQMOLXWPH-VIFPVBQESA-N 0 0 195.281 3.592 10 0 AHAERN Cc1ccc2cc(O)cc(Cl)c2c1 ZINC000020390905 572218190 /nfs/dbraw/zinc/21/81/90/572218190.db2.gz LXOIMMBPNXWCNZ-UHFFFAOYSA-N 0 0 192.645 3.507 10 0 AHAERN Cc1ccc(-c2ccc(O)cc2)cc1C ZINC000020391393 572218208 /nfs/dbraw/zinc/21/82/08/572218208.db2.gz AJYUMACAIBPEGV-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN Cc1ccc(-c2cccc(O)c2)cc1C ZINC000020391399 572219155 /nfs/dbraw/zinc/21/91/55/572219155.db2.gz PCBAKSWMUVIUFA-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN CC[C@@H](C)Nc1ccc(C)cc1Cl ZINC000020471116 572221361 /nfs/dbraw/zinc/22/13/61/572221361.db2.gz JXGNLNRYLWVGRF-SECBINFHSA-N 0 0 197.709 3.859 10 0 AHAERN CC[C@H](C)Nc1ccc(C)cc1Cl ZINC000020471117 572221297 /nfs/dbraw/zinc/22/12/97/572221297.db2.gz JXGNLNRYLWVGRF-VIFPVBQESA-N 0 0 197.709 3.859 10 0 AHAERN Cc1ccc(NCC(C)C)c(Cl)c1 ZINC000020471317 168826500 /nfs/dbraw/zinc/82/65/00/168826500.db2.gz JZNTUDFDAUSXDE-UHFFFAOYSA-N 0 0 197.709 3.716 10 0 AHAERN CC[C@@H](C)CNc1cc(C)ccc1F ZINC000020471548 167457378 /nfs/dbraw/zinc/45/73/78/167457378.db2.gz FBSVXIATVGPMHM-SECBINFHSA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@H](C)CNc1cc(C)ccc1F ZINC000020471549 167602905 /nfs/dbraw/zinc/60/29/05/167602905.db2.gz FBSVXIATVGPMHM-VIFPVBQESA-N 0 0 195.281 3.592 10 0 AHAERN CCC[C@@H](C)Nc1c(F)cccc1F ZINC000020476075 167036345 /nfs/dbraw/zinc/03/63/45/167036345.db2.gz JQYFXYAWMCTQTL-MRVPVSSYSA-N 0 0 199.244 3.565 10 0 AHAERN CCC[C@H](C)Nc1c(F)cccc1F ZINC000020476076 167071003 /nfs/dbraw/zinc/07/10/03/167071003.db2.gz JQYFXYAWMCTQTL-QMMMGPOBSA-N 0 0 199.244 3.565 10 0 AHAERN CCC(CC)Nc1c(F)cccc1F ZINC000020476226 572220919 /nfs/dbraw/zinc/22/09/19/572220919.db2.gz ZRPZVGQCNSRMQW-UHFFFAOYSA-N 0 0 199.244 3.565 10 0 AHAERN CC[C@@H](C)CNc1cc(F)ccc1C ZINC000020546270 572226405 /nfs/dbraw/zinc/22/64/05/572226405.db2.gz LPAWCYDPWQIRJY-SECBINFHSA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@H](C)CNc1cc(F)ccc1C ZINC000020546271 572225062 /nfs/dbraw/zinc/22/50/62/572225062.db2.gz LPAWCYDPWQIRJY-VIFPVBQESA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@@H](C)Nc1ccc(C)c(Cl)c1 ZINC000020548596 572226255 /nfs/dbraw/zinc/22/62/55/572226255.db2.gz OIFSXNKXBJFNNG-SECBINFHSA-N 0 0 197.709 3.859 10 0 AHAERN CC[C@H](C)Nc1ccc(C)c(Cl)c1 ZINC000020548598 572226049 /nfs/dbraw/zinc/22/60/49/572226049.db2.gz OIFSXNKXBJFNNG-VIFPVBQESA-N 0 0 197.709 3.859 10 0 AHAERN CC[C@@H](C)CNc1cc(C)ccc1C ZINC000020551188 572224847 /nfs/dbraw/zinc/22/48/47/572224847.db2.gz QYEMDWDHHXTNKM-SNVBAGLBSA-N 0 0 191.318 3.761 10 0 AHAERN CC[C@H](C)CNc1cc(C)ccc1C ZINC000020551190 572227245 /nfs/dbraw/zinc/22/72/45/572227245.db2.gz QYEMDWDHHXTNKM-JTQLQIEISA-N 0 0 191.318 3.761 10 0 AHAERN CC[C@@H](C)CNc1cccc(C)c1C ZINC000020552594 572225956 /nfs/dbraw/zinc/22/59/56/572225956.db2.gz LCNFKOLAOXEFFJ-SNVBAGLBSA-N 0 0 191.318 3.761 10 0 AHAERN CC[C@H](C)CNc1cccc(C)c1C ZINC000020552595 572225158 /nfs/dbraw/zinc/22/51/58/572225158.db2.gz LCNFKOLAOXEFFJ-JTQLQIEISA-N 0 0 191.318 3.761 10 0 AHAERN CCCCCNc1ccc(Cl)cc1 ZINC000020553063 572008176 /nfs/dbraw/zinc/00/81/76/572008176.db2.gz ACDAEAAERKALKR-UHFFFAOYSA-N 0 0 197.709 3.942 10 0 AHAERN Cc1cc(F)ccc1NCCC(C)C ZINC000020554466 572226549 /nfs/dbraw/zinc/22/65/49/572226549.db2.gz ISBTUSAHGMYHCD-UHFFFAOYSA-N 0 0 195.281 3.592 10 0 AHAERN CCC(CC)Nc1ccc(Cl)cc1 ZINC000020555092 572225877 /nfs/dbraw/zinc/22/58/77/572225877.db2.gz NYLYFLFZQUFGJI-UHFFFAOYSA-N 0 0 197.709 3.941 10 0 AHAERN CCCCCNc1cc(F)ccc1C ZINC000020556479 572226277 /nfs/dbraw/zinc/22/62/77/572226277.db2.gz NPXOIMMMPQWREI-UHFFFAOYSA-N 0 0 195.281 3.736 10 0 AHAERN CC[C@@H](C)CNc1ccc(C)cc1C ZINC000020561509 572223919 /nfs/dbraw/zinc/22/39/19/572223919.db2.gz VHNIICXIAUTUAX-SNVBAGLBSA-N 0 0 191.318 3.761 10 0 AHAERN CC[C@H](C)CNc1ccc(C)cc1C ZINC000020561512 167600882 /nfs/dbraw/zinc/60/08/82/167600882.db2.gz VHNIICXIAUTUAX-JTQLQIEISA-N 0 0 191.318 3.761 10 0 AHAERN CCC[C@@H](C)CNc1ccc(F)cc1 ZINC000020562077 167028951 /nfs/dbraw/zinc/02/89/51/167028951.db2.gz SWBNWXQBSZMIJX-SNVBAGLBSA-N 0 0 195.281 3.674 10 0 AHAERN CCC[C@H](C)CNc1ccc(F)cc1 ZINC000020562080 167068990 /nfs/dbraw/zinc/06/89/90/167068990.db2.gz SWBNWXQBSZMIJX-JTQLQIEISA-N 0 0 195.281 3.674 10 0 AHAERN CCC(CC)Nc1ccccc1Cl ZINC000020565204 572225109 /nfs/dbraw/zinc/22/51/09/572225109.db2.gz CEYMIGFTBUFMTQ-UHFFFAOYSA-N 0 0 197.709 3.941 10 0 AHAERN CCC[C@@H](C)Nc1ccc(Cl)cc1 ZINC000020565714 167036169 /nfs/dbraw/zinc/03/61/69/167036169.db2.gz NPQPGDTVIZVPIR-SECBINFHSA-N 0 0 197.709 3.941 10 0 AHAERN CCC[C@H](C)Nc1ccc(Cl)cc1 ZINC000020565715 167070599 /nfs/dbraw/zinc/07/05/99/167070599.db2.gz NPQPGDTVIZVPIR-VIFPVBQESA-N 0 0 197.709 3.941 10 0 AHAERN Cc1cccc(NCCC(C)C)c1C ZINC000020566381 168870069 /nfs/dbraw/zinc/87/00/69/168870069.db2.gz UMLLKHXEAOVLPI-UHFFFAOYSA-N 0 0 191.318 3.761 10 0 AHAERN CCC[C@@H](C)Nc1cc(C)ccc1C ZINC000020566427 167035701 /nfs/dbraw/zinc/03/57/01/167035701.db2.gz ZSLWDHFKWZPGNY-GFCCVEGCSA-N 0 0 191.318 3.904 10 0 AHAERN CCC[C@H](C)Nc1cc(C)ccc1C ZINC000020566428 167071449 /nfs/dbraw/zinc/07/14/49/167071449.db2.gz ZSLWDHFKWZPGNY-LBPRGKRZSA-N 0 0 191.318 3.904 10 0 AHAERN CCCCCNc1cc(C)cc(C)c1 ZINC000021008427 166867420 /nfs/dbraw/zinc/86/74/20/166867420.db2.gz ZDOIJWGXRKHMQV-UHFFFAOYSA-N 0 0 191.318 3.906 10 0 AHAERN CCCCCNc1ccccc1CC ZINC000021012630 166866945 /nfs/dbraw/zinc/86/69/45/166866945.db2.gz PQYOYRFARMVEJF-UHFFFAOYSA-N 0 0 191.318 3.851 10 0 AHAERN CCC[C@@H](C)CNc1ccccc1C ZINC000021013233 167030196 /nfs/dbraw/zinc/03/01/96/167030196.db2.gz CNHNOTYWYPYMJO-LLVKDONJSA-N 0 0 191.318 3.843 10 0 AHAERN CCC[C@H](C)CNc1ccccc1C ZINC000021013234 167068208 /nfs/dbraw/zinc/06/82/08/167068208.db2.gz CNHNOTYWYPYMJO-NSHDSACASA-N 0 0 191.318 3.843 10 0 AHAERN CCC[C@@H](C)Nc1cccc(CC)c1 ZINC000021014933 167036858 /nfs/dbraw/zinc/03/68/58/167036858.db2.gz LEOBDGUIVPPGFG-LLVKDONJSA-N 0 0 191.318 3.850 10 0 AHAERN CCC[C@H](C)Nc1cccc(CC)c1 ZINC000021014935 167071117 /nfs/dbraw/zinc/07/11/17/167071117.db2.gz LEOBDGUIVPPGFG-NSHDSACASA-N 0 0 191.318 3.850 10 0 AHAERN CCC(CC)Nc1cc(C)cc(C)c1 ZINC000021019740 166798536 /nfs/dbraw/zinc/79/85/36/166798536.db2.gz SMROIVLZKHPBGJ-UHFFFAOYSA-N 0 0 191.318 3.904 10 0 AHAERN CCC[C@@H](C)CNc1ccccc1F ZINC000021040540 167028545 /nfs/dbraw/zinc/02/85/45/167028545.db2.gz WTGJGGPBTWJXQA-SNVBAGLBSA-N 0 0 195.281 3.674 10 0 AHAERN CCC[C@H](C)CNc1ccccc1F ZINC000021040547 167066881 /nfs/dbraw/zinc/06/68/81/167066881.db2.gz WTGJGGPBTWJXQA-JTQLQIEISA-N 0 0 195.281 3.674 10 0 AHAERN CCC[C@@H](C)CNc1cccc(C)c1 ZINC000021046365 167029504 /nfs/dbraw/zinc/02/95/04/167029504.db2.gz FNULHGLQBOYTDJ-GFCCVEGCSA-N 0 0 191.318 3.843 10 0 AHAERN CCC[C@H](C)CNc1cccc(C)c1 ZINC000021046370 167067646 /nfs/dbraw/zinc/06/76/46/167067646.db2.gz FNULHGLQBOYTDJ-LBPRGKRZSA-N 0 0 191.318 3.843 10 0 AHAERN Cc1[nH]c2ccccc2c1C(C)C ZINC000021304592 572244855 /nfs/dbraw/zinc/24/48/55/572244855.db2.gz WEDBVPQYBDSVSX-UHFFFAOYSA-N 0 0 173.259 3.600 10 0 AHAERN CC[C@@H](C)CNc1ccc(F)cc1C ZINC000021500067 572246431 /nfs/dbraw/zinc/24/64/31/572246431.db2.gz DYOQPXLUTGZNHJ-SECBINFHSA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@H](C)CNc1ccc(F)cc1C ZINC000021500068 572247596 /nfs/dbraw/zinc/24/75/96/572247596.db2.gz DYOQPXLUTGZNHJ-VIFPVBQESA-N 0 0 195.281 3.592 10 0 AHAERN CCC[C@@H](C)Nc1cc(C)cc(C)c1 ZINC000021500378 167036692 /nfs/dbraw/zinc/03/66/92/167036692.db2.gz NHQRAVRHPKUAKW-GFCCVEGCSA-N 0 0 191.318 3.904 10 0 AHAERN CCC[C@H](C)Nc1cc(C)cc(C)c1 ZINC000021500380 167071520 /nfs/dbraw/zinc/07/15/20/167071520.db2.gz NHQRAVRHPKUAKW-LBPRGKRZSA-N 0 0 191.318 3.904 10 0 AHAERN Cc1c(Cl)cccc1NCC(C)C ZINC000021500825 168710392 /nfs/dbraw/zinc/71/03/92/168710392.db2.gz HJOYNNXPTLSNNH-UHFFFAOYSA-N 0 0 197.709 3.716 10 0 AHAERN CC(C)CNc1ccccc1C(C)C ZINC000021501680 572247249 /nfs/dbraw/zinc/24/72/49/572247249.db2.gz PKWMFFXUSDCTAM-UHFFFAOYSA-N 0 0 191.318 3.878 10 0 AHAERN CCCCCNc1cccc(Cl)c1 ZINC000021505178 572753273 /nfs/dbraw/zinc/75/32/73/572753273.db2.gz FGARWJNGBKFIJE-UHFFFAOYSA-N 0 0 197.709 3.942 10 0 AHAERN CC[C@@H](C)Nc1cc(Cl)ccc1C ZINC000021506415 572247169 /nfs/dbraw/zinc/24/71/69/572247169.db2.gz DGULODXMOKYTHU-SECBINFHSA-N 0 0 197.709 3.859 10 0 AHAERN CC[C@H](C)Nc1cc(Cl)ccc1C ZINC000021506417 572247946 /nfs/dbraw/zinc/24/79/46/572247946.db2.gz DGULODXMOKYTHU-VIFPVBQESA-N 0 0 197.709 3.859 10 0 AHAERN CC(C)CCNc1ccccc1Cl ZINC000021510025 572247885 /nfs/dbraw/zinc/24/78/85/572247885.db2.gz CEFBTQKZUKCEEQ-UHFFFAOYSA-N 0 0 197.709 3.798 10 0 AHAERN CC[C@@H](C)Nc1ccc(Cl)cc1C ZINC000021512965 572247574 /nfs/dbraw/zinc/24/75/74/572247574.db2.gz ZCBHJKWQWZLOIB-SECBINFHSA-N 0 0 197.709 3.859 10 0 AHAERN CC[C@H](C)Nc1ccc(Cl)cc1C ZINC000021512966 572247172 /nfs/dbraw/zinc/24/71/72/572247172.db2.gz ZCBHJKWQWZLOIB-VIFPVBQESA-N 0 0 197.709 3.859 10 0 AHAERN CC[C@@H](C)CNc1ccc(Cl)cc1 ZINC000021513308 572247313 /nfs/dbraw/zinc/24/73/13/572247313.db2.gz ZBOWKDZMJJJKSV-SECBINFHSA-N 0 0 197.709 3.798 10 0 AHAERN CC[C@H](C)CNc1ccc(Cl)cc1 ZINC000021513309 572247665 /nfs/dbraw/zinc/24/76/65/572247665.db2.gz ZBOWKDZMJJJKSV-VIFPVBQESA-N 0 0 197.709 3.798 10 0 AHAERN Cc1cc(Cl)ccc1NCC(C)C ZINC000021513649 572246445 /nfs/dbraw/zinc/24/64/45/572246445.db2.gz ZRAFFQYUYCCIFE-UHFFFAOYSA-N 0 0 197.709 3.716 10 0 AHAERN Cc1ccc(NCCC(C)C)c(C)c1 ZINC000021513770 168826113 /nfs/dbraw/zinc/82/61/13/168826113.db2.gz FAYXVNPKDRISDQ-UHFFFAOYSA-N 0 0 191.318 3.761 10 0 AHAERN CCC[C@@H](C)Nc1cccc(Cl)c1 ZINC000021518860 572246427 /nfs/dbraw/zinc/24/64/27/572246427.db2.gz IRYRQEXHMBYXOK-SECBINFHSA-N 0 0 197.709 3.941 10 0 AHAERN CCC[C@H](C)Nc1cccc(Cl)c1 ZINC000021518861 572246426 /nfs/dbraw/zinc/24/64/26/572246426.db2.gz IRYRQEXHMBYXOK-VIFPVBQESA-N 0 0 197.709 3.941 10 0 AHAERN CCC(CC)Nc1cccc(Cl)c1 ZINC000021519011 572247646 /nfs/dbraw/zinc/24/76/46/572247646.db2.gz IZHDIPYUVPRMEK-UHFFFAOYSA-N 0 0 197.709 3.941 10 0 AHAERN Cc1ccc(NCCC(C)C)cc1F ZINC000021519546 572247429 /nfs/dbraw/zinc/24/74/29/572247429.db2.gz KUEFXVPBVWHGEG-UHFFFAOYSA-N 0 0 195.281 3.592 10 0 AHAERN CCCCCNc1ccc(F)cc1C ZINC000021520665 572246668 /nfs/dbraw/zinc/24/66/68/572246668.db2.gz OYEFKCZUDXYSFR-UHFFFAOYSA-N 0 0 195.281 3.736 10 0 AHAERN CCC(CC)Nc1cc(C)ccc1C ZINC000021787379 572250746 /nfs/dbraw/zinc/25/07/46/572250746.db2.gz GTOYJFLVMKJDOF-UHFFFAOYSA-N 0 0 191.318 3.904 10 0 AHAERN CCCCNc1ccc(Cl)cc1C ZINC000021789820 572252416 /nfs/dbraw/zinc/25/24/16/572252416.db2.gz GLXLMAQJUAOAHS-UHFFFAOYSA-N 0 0 197.709 3.860 10 0 AHAERN CCCNc1ccc(C(C)(C)C)cc1 ZINC000021797157 167005980 /nfs/dbraw/zinc/00/59/80/167005980.db2.gz NTGAGIGZOYSFRA-UHFFFAOYSA-N 0 0 191.318 3.806 10 0 AHAERN Cc1ccc(C)c(NCCC(C)C)c1 ZINC000021797701 572251174 /nfs/dbraw/zinc/25/11/74/572251174.db2.gz GKSLMHWCBNVKHM-UHFFFAOYSA-N 0 0 191.318 3.761 10 0 AHAERN CC(C)CCNc1cccc(Cl)c1 ZINC000021802912 572251821 /nfs/dbraw/zinc/25/18/21/572251821.db2.gz UHCXVTZCMIAQRB-UHFFFAOYSA-N 0 0 197.709 3.798 10 0 AHAERN CC[C@@H](C)CNc1ccc(C)c(C)c1 ZINC000021810655 572251273 /nfs/dbraw/zinc/25/12/73/572251273.db2.gz ZVFUCDQLZVVUOO-SNVBAGLBSA-N 0 0 191.318 3.761 10 0 AHAERN CC[C@H](C)CNc1ccc(C)c(C)c1 ZINC000021810657 572252491 /nfs/dbraw/zinc/25/24/91/572252491.db2.gz ZVFUCDQLZVVUOO-JTQLQIEISA-N 0 0 191.318 3.761 10 0 AHAERN CC[C@@H](C)CNc1cc(C)cc(C)c1 ZINC000021814298 572251689 /nfs/dbraw/zinc/25/16/89/572251689.db2.gz WRVRBJQRCJVOEI-SNVBAGLBSA-N 0 0 191.318 3.761 10 0 AHAERN CC[C@H](C)CNc1cc(C)cc(C)c1 ZINC000021814299 572252203 /nfs/dbraw/zinc/25/22/03/572252203.db2.gz WRVRBJQRCJVOEI-JTQLQIEISA-N 0 0 191.318 3.761 10 0 AHAERN Cc1cc(C)cc(NCCC(C)C)c1 ZINC000021814476 572251720 /nfs/dbraw/zinc/25/17/20/572251720.db2.gz RTENELXACVXACT-UHFFFAOYSA-N 0 0 191.318 3.761 10 0 AHAERN CC[C@@H](C)CNc1cccc(Cl)c1 ZINC000021814624 572251847 /nfs/dbraw/zinc/25/18/47/572251847.db2.gz KYRHEKLWNGHHEM-SECBINFHSA-N 0 0 197.709 3.798 10 0 AHAERN CC[C@H](C)CNc1cccc(Cl)c1 ZINC000021814625 572251425 /nfs/dbraw/zinc/25/14/25/572251425.db2.gz KYRHEKLWNGHHEM-VIFPVBQESA-N 0 0 197.709 3.798 10 0 AHAERN CCC[C@@H](C)Nc1ccc(CC)cc1 ZINC000021818960 167037076 /nfs/dbraw/zinc/03/70/76/167037076.db2.gz MCAMIVHNWUXQSP-LLVKDONJSA-N 0 0 191.318 3.850 10 0 AHAERN CCC[C@H](C)Nc1ccc(CC)cc1 ZINC000021818962 167071267 /nfs/dbraw/zinc/07/12/67/167071267.db2.gz MCAMIVHNWUXQSP-NSHDSACASA-N 0 0 191.318 3.850 10 0 AHAERN Cc1ccc(Cl)cc1NCC(C)C ZINC000021819491 572251501 /nfs/dbraw/zinc/25/15/01/572251501.db2.gz PKCRBOFHYOWFMN-UHFFFAOYSA-N 0 0 197.709 3.716 10 0 AHAERN CCC[C@@H](C)Nc1ccccc1CC ZINC000021819787 167035344 /nfs/dbraw/zinc/03/53/44/167035344.db2.gz OBLZOJCAVQJHQI-LLVKDONJSA-N 0 0 191.318 3.850 10 0 AHAERN CCC[C@H](C)Nc1ccccc1CC ZINC000021819789 167071084 /nfs/dbraw/zinc/07/10/84/167071084.db2.gz OBLZOJCAVQJHQI-NSHDSACASA-N 0 0 191.318 3.850 10 0 AHAERN CC[C@@H](C)c1cc2ccccc2o1 ZINC000021986565 572685062 /nfs/dbraw/zinc/68/50/62/572685062.db2.gz GGTSLQHBJHTOHO-SECBINFHSA-N 0 0 174.243 3.946 10 0 AHAERN CC[C@H](C)c1cc2ccccc2o1 ZINC000021986567 572684926 /nfs/dbraw/zinc/68/49/26/572684926.db2.gz GGTSLQHBJHTOHO-VIFPVBQESA-N 0 0 174.243 3.946 10 0 AHAERN CCC/C=C/CC(=O)c1ccccc1 ZINC000021991015 171041360 /nfs/dbraw/zinc/04/13/60/171041360.db2.gz ZWJDHIGCJPTBHR-XBXARRHUSA-N 0 0 188.270 3.616 10 0 AHAERN Cc1cccc2c3c([nH]c21)CC[C@@H](C)C3 ZINC000022130472 168879849 /nfs/dbraw/zinc/87/98/49/168879849.db2.gz LOBTYTASROJXPW-SECBINFHSA-N 0 0 199.297 3.601 10 0 AHAERN CCCCNc1cccc(Cl)c1C ZINC000022146596 166902318 /nfs/dbraw/zinc/90/23/18/166902318.db2.gz FSDBGORJKSIUJK-UHFFFAOYSA-N 0 0 197.709 3.860 10 0 AHAERN Cc1cc(C(C)C)nc2ccccc12 ZINC000025998537 571760980 /nfs/dbraw/zinc/76/09/80/571760980.db2.gz AHWBOYAJOJOTJP-UHFFFAOYSA-N 0 0 185.270 3.667 10 0 AHAERN Cc1cccc2c3c([nH]c21)C[C@H](C)CC3 ZINC000026543478 572215232 /nfs/dbraw/zinc/21/52/32/572215232.db2.gz WGSRXRNFGLWRHP-SECBINFHSA-N 0 0 199.297 3.601 10 0 AHAERN Cc1ccc(-c2ccc(N)c(C)c2)cc1 ZINC000026544286 168793749 /nfs/dbraw/zinc/79/37/49/168793749.db2.gz RHFXTYPJXCHYIG-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN CC(C)CCn1ccc2ccccc21 ZINC000027519778 571786033 /nfs/dbraw/zinc/78/60/33/571786033.db2.gz GHPFVEIYABXUGH-UHFFFAOYSA-N 0 0 187.286 3.687 10 0 AHAERN Cc1sc2ccc(C)cc2c1C ZINC000028376540 571844556 /nfs/dbraw/zinc/84/45/56/571844556.db2.gz HDASTMVROAGIQK-UHFFFAOYSA-N 0 0 176.284 3.827 10 0 AHAERN C/C=C/CCCCCCCCCO ZINC000028631175 171183619 /nfs/dbraw/zinc/18/36/19/171183619.db2.gz JLQAHGGMRAJUMJ-NSCUHMNNSA-N 0 0 184.323 3.676 10 0 AHAERN Cc1c(O)c(C(C)C)ccc1C(C)C ZINC000028766665 168707164 /nfs/dbraw/zinc/70/71/64/168707164.db2.gz ABPIMHOWWQRNLJ-UHFFFAOYSA-N 0 0 192.302 3.947 10 0 AHAERN CC[C@@H](C)c1cccc(C2CC2)c1O ZINC000028766984 167496427 /nfs/dbraw/zinc/49/64/27/167496427.db2.gz AHDFGPJVGBBWNZ-SECBINFHSA-N 0 0 190.286 3.783 10 0 AHAERN CC[C@H](C)c1cccc(C2CC2)c1O ZINC000028766986 343092352 /nfs/dbraw/zinc/09/23/52/343092352.db2.gz AHDFGPJVGBBWNZ-VIFPVBQESA-N 0 0 190.286 3.783 10 0 AHAERN CCCc1cccc([C@@H](C)CC)c1O ZINC000028767163 167105708 /nfs/dbraw/zinc/10/57/08/167105708.db2.gz DASIOEIBURQFMM-JTQLQIEISA-N 0 0 192.302 3.858 10 0 AHAERN CCCc1cccc([C@H](C)CC)c1O ZINC000028767164 167108062 /nfs/dbraw/zinc/10/80/62/167108062.db2.gz DASIOEIBURQFMM-SNVBAGLBSA-N 0 0 192.302 3.858 10 0 AHAERN CCC[C@@H](C)c1cccc(CC)c1O ZINC000028767332 167039255 /nfs/dbraw/zinc/03/92/55/167039255.db2.gz OKIYXOGGIXBEPO-SNVBAGLBSA-N 0 0 192.302 3.858 10 0 AHAERN CCC[C@H](C)c1cccc(CC)c1O ZINC000028767334 167073224 /nfs/dbraw/zinc/07/32/24/167073224.db2.gz OKIYXOGGIXBEPO-JTQLQIEISA-N 0 0 192.302 3.858 10 0 AHAERN CC(=O)CC(C)(C)C1CCC(C)CC1 ZINC000031308335 166240179 /nfs/dbraw/zinc/24/01/79/166240179.db2.gz FIHXKZYLIWLRND-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN C(=C\c1ccccc1)\c1cccs1 ZINC000031426684 166045894 /nfs/dbraw/zinc/04/58/94/166045894.db2.gz DPAPGSNLWBQIGV-HJWRWDBZSA-N 0 0 186.279 3.919 10 0 AHAERN O=Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000031622551 343093590 /nfs/dbraw/zinc/09/35/90/343093590.db2.gz XZWGJDANCSXBDW-UHFFFAOYSA-N 0 0 195.221 3.656 10 0 AHAERN CCCC(=O)c1cccc2ccccc21 ZINC000031622883 343093733 /nfs/dbraw/zinc/09/37/33/343093733.db2.gz HHEPNSXKXOXNQV-UHFFFAOYSA-N 0 0 198.265 3.823 10 0 AHAERN c1[nH]c2ncccc2c1C1=CCCCC1 ZINC000031776858 166071793 /nfs/dbraw/zinc/07/17/93/166071793.db2.gz MCTSKAZVCYASEE-UHFFFAOYSA-N 0 0 198.269 3.520 10 0 AHAERN CC(C)c1ccc2c(c1)NCCCC2 ZINC000031889016 571959639 /nfs/dbraw/zinc/95/96/39/571959639.db2.gz TZQYCMYQFFBULO-UHFFFAOYSA-N 0 0 189.302 3.558 10 0 AHAERN CC[C@@H](C)Nc1c(C)cccc1C ZINC000032007070 571962049 /nfs/dbraw/zinc/96/20/49/571962049.db2.gz NGGIEMARHZEJCG-LLVKDONJSA-N 0 0 177.291 3.514 10 0 AHAERN CC(C)Cc1ccc(C(C)C)c(N)c1 ZINC000032008486 571961512 /nfs/dbraw/zinc/96/15/12/571961512.db2.gz CSZHVZHIIMBNET-UHFFFAOYSA-N 0 0 191.318 3.591 10 0 AHAERN Cc1cccc(C)c1NCCC(C)C ZINC000032008488 168862820 /nfs/dbraw/zinc/86/28/20/168862820.db2.gz RZDFAHVHMYJMQB-UHFFFAOYSA-N 0 0 191.318 3.761 10 0 AHAERN CCCCNc1c(C)cc(C)cc1C ZINC000032008490 343096681 /nfs/dbraw/zinc/09/66/81/343096681.db2.gz JDNIKOWNZCFYOT-UHFFFAOYSA-N 0 0 191.318 3.824 10 0 AHAERN CCCNc1c(C)cccc1C(C)C ZINC000032008497 167005838 /nfs/dbraw/zinc/00/58/38/167005838.db2.gz BYPGAEAZMNWFOS-UHFFFAOYSA-N 0 0 191.318 3.940 10 0 AHAERN CCCNc1ccccc1C(C)(C)C ZINC000032008498 167008589 /nfs/dbraw/zinc/00/85/89/167008589.db2.gz ZKJYFKHCKHACPP-UHFFFAOYSA-N 0 0 191.318 3.806 10 0 AHAERN CCCCNc1c(C)cccc1CC ZINC000032008500 571962436 /nfs/dbraw/zinc/96/24/36/571962436.db2.gz BIULXABNLAFVKP-UHFFFAOYSA-N 0 0 191.318 3.769 10 0 AHAERN CCc1cccc(C)c1NCC(C)C ZINC000032008502 571961602 /nfs/dbraw/zinc/96/16/02/571961602.db2.gz NNOOFIXDMHNVGV-UHFFFAOYSA-N 0 0 191.318 3.625 10 0 AHAERN Cc1cc(C)c(NCC(C)C)c(C)c1 ZINC000032008504 571962802 /nfs/dbraw/zinc/96/28/02/571962802.db2.gz ODLAWNIWSGMVCV-UHFFFAOYSA-N 0 0 191.318 3.680 10 0 AHAERN CC[C@@H](C)Nc1c(C)cc(C)cc1C ZINC000032008506 571963429 /nfs/dbraw/zinc/96/34/29/571963429.db2.gz QXCPIFBCRAJLQH-GFCCVEGCSA-N 0 0 191.318 3.822 10 0 AHAERN CC[C@H](C)Nc1c(C)cc(C)cc1C ZINC000032008507 571962240 /nfs/dbraw/zinc/96/22/40/571962240.db2.gz QXCPIFBCRAJLQH-LBPRGKRZSA-N 0 0 191.318 3.822 10 0 AHAERN Cc1ccc(C)c(-c2ccc(N)cc2)c1 ZINC000032009553 571897889 /nfs/dbraw/zinc/89/78/89/571897889.db2.gz UTZRYLKJXNOFAP-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN CCCNc1c(C)cc(C)cc1Cl ZINC000032009604 167005606 /nfs/dbraw/zinc/00/56/06/167005606.db2.gz VUDHWXOLUFETSK-UHFFFAOYSA-N 0 0 197.709 3.779 10 0 AHAERN CC(C)(C)CC[C@@H]1CCCCC(=O)C1 ZINC000032136104 166352186 /nfs/dbraw/zinc/35/21/86/166352186.db2.gz VSTJKRMTNDBZND-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)(C)CC[C@H]1CCCCC(=O)C1 ZINC000032136106 166351327 /nfs/dbraw/zinc/35/13/27/166351327.db2.gz VSTJKRMTNDBZND-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCC1CCSCC1 ZINC000032137006 343098242 /nfs/dbraw/zinc/09/82/42/343098242.db2.gz ZYTCRNBZSACMIE-UHFFFAOYSA-N 0 0 172.337 3.710 10 0 AHAERN CCNc1ccc(C(C)(C)C)cc1C ZINC000032139850 171050078 /nfs/dbraw/zinc/05/00/78/171050078.db2.gz CMMYBXRNVGTZMI-UHFFFAOYSA-N 0 0 191.318 3.724 10 0 AHAERN CCCCOc1ccc(C(C)C)cc1 ZINC000032145618 166908794 /nfs/dbraw/zinc/90/87/94/166908794.db2.gz ZWBXGMNUQKYQSF-UHFFFAOYSA-N 0 0 192.302 3.989 10 0 AHAERN CCCCCCOc1ccccc1 ZINC000032147197 571966741 /nfs/dbraw/zinc/96/67/41/571966741.db2.gz KNRQFACTBMDELK-UHFFFAOYSA-N 0 0 178.275 3.646 10 0 AHAERN CC(C)(C)CSc1ccccc1 ZINC000032149986 571967862 /nfs/dbraw/zinc/96/78/62/571967862.db2.gz OGILWELMFMDAJR-UHFFFAOYSA-N 0 0 180.316 3.825 10 0 AHAERN CCc1ccc(CC(C)C)s1 ZINC000032153116 571967075 /nfs/dbraw/zinc/96/70/75/571967075.db2.gz AOXIFWAERABLJY-UHFFFAOYSA-N 0 0 168.305 3.509 10 0 AHAERN CC(C)[C@@H]1C[C@@H](C(C)(C)C)CCC1=O ZINC000032154145 571966329 /nfs/dbraw/zinc/96/63/29/571966329.db2.gz INDSELFFLOGICC-QWRGUYRKSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)[C@H]1C[C@@H](C(C)(C)C)CCC1=O ZINC000032154150 571968022 /nfs/dbraw/zinc/96/80/22/571968022.db2.gz INDSELFFLOGICC-WDEREUQCSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)[C@@H]1C[C@H](C(C)(C)C)CCC1=O ZINC000032154156 571967214 /nfs/dbraw/zinc/96/72/14/571967214.db2.gz INDSELFFLOGICC-MNOVXSKESA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)[C@H]1C[C@H](C(C)(C)C)CCC1=O ZINC000032154161 571967838 /nfs/dbraw/zinc/96/78/38/571967838.db2.gz INDSELFFLOGICC-GHMZBOCLSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)(C)Nc1ccccc1Cl ZINC000032156978 166369149 /nfs/dbraw/zinc/36/91/49/166369149.db2.gz MPDOKHFNDKPACR-UHFFFAOYSA-N 0 0 183.682 3.550 10 0 AHAERN CCCCCSC(C)(C)C ZINC000032162935 343098906 /nfs/dbraw/zinc/09/89/06/343098906.db2.gz UXAUXPUBBOWMBI-UHFFFAOYSA-N 0 0 160.326 3.708 10 0 AHAERN CC(C)CCc1cccc2[nH]ccc21 ZINC000032167356 571970247 /nfs/dbraw/zinc/97/02/47/571970247.db2.gz OLVXBNZFDUKOJA-UHFFFAOYSA-N 0 0 187.286 3.757 10 0 AHAERN CCCC[C@]1(C)CC(=O)CC(C)(C)C1 ZINC000032178125 136408086 /nfs/dbraw/zinc/40/80/86/136408086.db2.gz OQYPINSIPBBGJS-CYBMUJFWSA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)(C)[C@H]1CCCc2scnc21 ZINC000032178718 571969421 /nfs/dbraw/zinc/96/94/21/571969421.db2.gz NTCPMMVQHYCJKA-QMMMGPOBSA-N 0 0 195.331 3.609 10 0 AHAERN CCCc1ccc(CCC)s1 ZINC000032179130 571969103 /nfs/dbraw/zinc/96/91/03/571969103.db2.gz GYUMBXPBGKUOMU-UHFFFAOYSA-N 0 0 168.305 3.653 10 0 AHAERN CCC[C@@H](O)C[C@@H](C)CCC=C(C)C ZINC000032184178 167049835 /nfs/dbraw/zinc/04/98/35/167049835.db2.gz FXYWMUVGDPTSCK-QWHCGFSZSA-N 0 0 198.350 3.920 10 0 AHAERN CCC[C@H](O)C[C@@H](C)CCC=C(C)C ZINC000032184180 167086345 /nfs/dbraw/zinc/08/63/45/167086345.db2.gz FXYWMUVGDPTSCK-STQMWFEESA-N 0 0 198.350 3.920 10 0 AHAERN CCC[C@H](O)C[C@H](C)CCC=C(C)C ZINC000032184183 167085344 /nfs/dbraw/zinc/08/53/44/167085344.db2.gz FXYWMUVGDPTSCK-OLZOCXBDSA-N 0 0 198.350 3.920 10 0 AHAERN CCCc1cc2ccccc2s1 ZINC000032189451 343100174 /nfs/dbraw/zinc/10/01/74/343100174.db2.gz IBJARYHUXSJWRZ-UHFFFAOYSA-N 0 0 176.284 3.854 10 0 AHAERN Cc1ccc2[nH]cc(C(C)C)c2c1 ZINC000032197441 190610506 /nfs/dbraw/zinc/61/05/06/190610506.db2.gz QYTCWTXIKNBMQJ-UHFFFAOYSA-N 0 0 173.259 3.600 10 0 AHAERN CC(C)(C)c1ccc2ccccc2n1 ZINC000032209265 166387278 /nfs/dbraw/zinc/38/72/78/166387278.db2.gz PYCYTTRLLIKJBU-UHFFFAOYSA-N 0 0 185.270 3.532 10 0 AHAERN CC(C)=CCc1cccc2[nH]ccc21 ZINC000032209499 571970673 /nfs/dbraw/zinc/97/06/73/571970673.db2.gz WQINDMXFLATZJX-UHFFFAOYSA-N 0 0 185.270 3.677 10 0 AHAERN CC(C)c1cc(O)cc2ccccc21 ZINC000032210436 571971717 /nfs/dbraw/zinc/97/17/17/571971717.db2.gz SQWZYHJSSCQDRJ-UHFFFAOYSA-N 0 0 186.254 3.669 10 0 AHAERN CC[C@@H]1CCc2ccccc2S1 ZINC000032220919 571974272 /nfs/dbraw/zinc/97/42/72/571974272.db2.gz JEOFYSADSTVPCF-SNVBAGLBSA-N 0 0 178.300 3.504 10 0 AHAERN CC[C@H]1CCc2ccccc2S1 ZINC000032220920 571973944 /nfs/dbraw/zinc/97/39/44/571973944.db2.gz JEOFYSADSTVPCF-JTQLQIEISA-N 0 0 178.300 3.504 10 0 AHAERN Cc1c2cc(C)cc3c2n(c1C)CCC3 ZINC000032234506 572449783 /nfs/dbraw/zinc/44/97/83/572449783.db2.gz CYGAMRLWUSNXFC-UHFFFAOYSA-N 0 0 199.297 3.513 10 0 AHAERN CC(C)(C)CSCC(C)(C)C ZINC000032297160 571977169 /nfs/dbraw/zinc/97/71/69/571977169.db2.gz FMVPDLYGWXNYQL-UHFFFAOYSA-N 0 0 174.353 3.812 10 0 AHAERN S=c1ccc2ccccc2s1 ZINC000032299612 371631836 /nfs/dbraw/zinc/63/18/36/371631836.db2.gz ZOVFLKOKOZVLQC-UHFFFAOYSA-N 0 0 178.281 3.631 10 0 AHAERN CC(C)(C)CCC(=O)c1ccccc1 ZINC000032302021 166351857 /nfs/dbraw/zinc/35/18/57/166351857.db2.gz WHQVWTONTCQFHT-UHFFFAOYSA-N 0 0 190.286 3.696 10 0 AHAERN CCCC[C@@H](F)c1ccc(C=O)cc1 ZINC000032303137 572450543 /nfs/dbraw/zinc/45/05/43/572450543.db2.gz UZQGPULKBCQMAW-GFCCVEGCSA-N 0 0 194.249 3.700 10 0 AHAERN Oc1ccccc1/C=C\c1ccccc1 ZINC000033368247 351430049 /nfs/dbraw/zinc/43/00/49/351430049.db2.gz AYPZAZPOYROADP-KHPPLWFESA-N 0 0 196.249 3.563 10 0 AHAERN Cc1cc(C2CCCCC2)ccc1N ZINC000033487383 343105180 /nfs/dbraw/zinc/10/51/80/343105180.db2.gz SLMYAIGAJWJBKI-UHFFFAOYSA-N 0 0 189.302 3.625 10 0 AHAERN Cc1cc(N)ccc1C1CCCCC1 ZINC000033487384 168766660 /nfs/dbraw/zinc/76/66/60/168766660.db2.gz LDAVCUFASGFYEE-UHFFFAOYSA-N 0 0 189.302 3.625 10 0 AHAERN Nc1ccccc1C1CCCCCC1 ZINC000033487434 169299012 /nfs/dbraw/zinc/29/90/12/169299012.db2.gz VOHIKTGRNYAECW-UHFFFAOYSA-N 0 0 189.302 3.707 10 0 AHAERN Nc1cccc(C2CCCCCC2)c1 ZINC000033487435 169296856 /nfs/dbraw/zinc/29/68/56/169296856.db2.gz CCOQNNVHFYHBQJ-UHFFFAOYSA-N 0 0 189.302 3.707 10 0 AHAERN Nc1ccc(C2CCCCCC2)cc1 ZINC000033487436 169291948 /nfs/dbraw/zinc/29/19/48/169291948.db2.gz LPBWEMHFJIWLDB-UHFFFAOYSA-N 0 0 189.302 3.707 10 0 AHAERN Cc1cc(C2=CCCCC2)ccc1N ZINC000033487541 343105142 /nfs/dbraw/zinc/10/51/42/343105142.db2.gz CDQLQLAWJLCBJM-UHFFFAOYSA-N 0 0 187.286 3.535 10 0 AHAERN Cc1cc(N)ccc1C1=CCCCC1 ZINC000033487542 343105030 /nfs/dbraw/zinc/10/50/30/343105030.db2.gz MOKLJTCWAGFJMJ-UHFFFAOYSA-N 0 0 187.286 3.535 10 0 AHAERN Nc1ccccc1C1=CCCCCC1 ZINC000033487543 169298988 /nfs/dbraw/zinc/29/89/88/169298988.db2.gz VEFQDWCMMBVARW-UHFFFAOYSA-N 0 0 187.286 3.616 10 0 AHAERN Nc1cccc(C2=CCCCCC2)c1 ZINC000033487544 169297008 /nfs/dbraw/zinc/29/70/08/169297008.db2.gz HBUWVOMWWQEOIO-UHFFFAOYSA-N 0 0 187.286 3.616 10 0 AHAERN Nc1ccc(C2=CCCCCC2)cc1 ZINC000033487545 169291457 /nfs/dbraw/zinc/29/14/57/169291457.db2.gz ITVBOFYYJOXYIY-UHFFFAOYSA-N 0 0 187.286 3.616 10 0 AHAERN CCSc1cc(=S)ss1 ZINC000033487914 572015280 /nfs/dbraw/zinc/01/52/80/572015280.db2.gz MGMQIQKCCHWZIG-UHFFFAOYSA-N 0 0 194.371 3.651 10 0 AHAERN Cc1oc2ccc(Cl)cc2c1C ZINC000033505780 169009000 /nfs/dbraw/zinc/00/90/00/169009000.db2.gz GVTZFGHHKYTRTE-UHFFFAOYSA-N 0 0 180.634 3.703 10 0 AHAERN Cc1oc2c(cccc2Cl)c1C ZINC000033505781 169010038 /nfs/dbraw/zinc/01/00/38/169010038.db2.gz PSPYLGDTNCLNDU-UHFFFAOYSA-N 0 0 180.634 3.703 10 0 AHAERN CC[C@@H](O)c1cc(C(C)C)ccc1C ZINC000033607660 572025856 /nfs/dbraw/zinc/02/58/56/572025856.db2.gz ITKKKGJNTAMQRQ-CYBMUJFWSA-N 0 0 192.302 3.562 10 0 AHAERN CC[C@H](O)c1cc(C(C)C)ccc1C ZINC000033607661 573521449 /nfs/dbraw/zinc/52/14/49/573521449.db2.gz ITKKKGJNTAMQRQ-ZDUSSCGKSA-N 0 0 192.302 3.562 10 0 AHAERN C=COC(=O)C(C)(C)CCC(C)(C)C ZINC000033607717 166210333 /nfs/dbraw/zinc/21/03/33/166210333.db2.gz KHRVSSXNHCFXGA-UHFFFAOYSA-N 0 0 198.306 3.526 10 0 AHAERN CCC(=O)[C@H]1C[C@@H](C)CC=C1C(C)C ZINC000033607945 573526589 /nfs/dbraw/zinc/52/65/89/573526589.db2.gz WQTULNIVXGGNNJ-JQWIXIFHSA-N 0 0 194.318 3.594 10 0 AHAERN CCC(=O)[C@@H]1C[C@H](C)CC=C1C(C)C ZINC000033607948 573525394 /nfs/dbraw/zinc/52/53/94/573525394.db2.gz WQTULNIVXGGNNJ-ZYHUDNBSSA-N 0 0 194.318 3.594 10 0 AHAERN CCC(=O)[C@H]1C[C@H](C)CC=C1C(C)C ZINC000033607949 573523358 /nfs/dbraw/zinc/52/33/58/573523358.db2.gz WQTULNIVXGGNNJ-PWSUYJOCSA-N 0 0 194.318 3.594 10 0 AHAERN CC1=C[C@H](C(=O)C(C)C)CC(C)(C)C1 ZINC000033607993 573523885 /nfs/dbraw/zinc/52/38/85/573523885.db2.gz WIAFBAKTXDPMOT-NSHDSACASA-N 0 0 194.318 3.594 10 0 AHAERN CC1=C[C@@H](C(=O)C(C)C)CC(C)(C)C1 ZINC000033607995 573525684 /nfs/dbraw/zinc/52/56/84/573525684.db2.gz WIAFBAKTXDPMOT-LLVKDONJSA-N 0 0 194.318 3.594 10 0 AHAERN CC(C)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000033608006 572025300 /nfs/dbraw/zinc/02/53/00/572025300.db2.gz GEHCZEBBRIVDOD-GHMZBOCLSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000033608008 572025926 /nfs/dbraw/zinc/02/59/26/572025926.db2.gz GEHCZEBBRIVDOD-MNOVXSKESA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000033608010 572024577 /nfs/dbraw/zinc/02/45/77/572024577.db2.gz GEHCZEBBRIVDOD-WDEREUQCSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000033608011 572025295 /nfs/dbraw/zinc/02/52/95/572025295.db2.gz GEHCZEBBRIVDOD-QWRGUYRKSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H](C)c1cccc2c1NCCC2 ZINC000033608110 351431164 /nfs/dbraw/zinc/43/11/64/351431164.db2.gz LGODJGHQMMHAHW-SNVBAGLBSA-N 0 0 189.302 3.558 10 0 AHAERN CC[C@H](C)c1cccc2c1NCCC2 ZINC000033608111 167633336 /nfs/dbraw/zinc/63/33/36/167633336.db2.gz LGODJGHQMMHAHW-JTQLQIEISA-N 0 0 189.302 3.558 10 0 AHAERN CCC[C@@H](O)[C@@H](C)CCC=C(C)C ZINC000033608333 167050063 /nfs/dbraw/zinc/05/00/63/167050063.db2.gz WALJOKOFEWERTJ-NWDGAFQWSA-N 0 0 184.323 3.530 10 0 AHAERN CCC[C@H](O)[C@@H](C)CCC=C(C)C ZINC000033608335 167085369 /nfs/dbraw/zinc/08/53/69/167085369.db2.gz WALJOKOFEWERTJ-RYUDHWBXSA-N 0 0 184.323 3.530 10 0 AHAERN CCC[C@@H](O)[C@H](C)CCC=C(C)C ZINC000033608336 167050853 /nfs/dbraw/zinc/05/08/53/167050853.db2.gz WALJOKOFEWERTJ-VXGBXAGGSA-N 0 0 184.323 3.530 10 0 AHAERN CCC[C@H](O)[C@H](C)CCC=C(C)C ZINC000033608337 167085237 /nfs/dbraw/zinc/08/52/37/167085237.db2.gz WALJOKOFEWERTJ-NEPJUHHUSA-N 0 0 184.323 3.530 10 0 AHAERN CC(C)=CCC[C@](C)(O)CCC(C)C ZINC000033608367 573521787 /nfs/dbraw/zinc/52/17/87/573521787.db2.gz XNWZTHGGEVXZCM-ZDUSSCGKSA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)=CCC[C@@](C)(O)CCC(C)C ZINC000033608369 573521862 /nfs/dbraw/zinc/52/18/62/573521862.db2.gz XNWZTHGGEVXZCM-CYBMUJFWSA-N 0 0 198.350 3.920 10 0 AHAERN CCCc1cccnc1-c1ccccc1 ZINC000033608799 167106123 /nfs/dbraw/zinc/10/61/23/167106123.db2.gz JWKHFQQTAFAOQD-UHFFFAOYSA-N 0 0 197.281 3.701 10 0 AHAERN CCCc1ccc(-c2ccccc2)nc1 ZINC000033608801 167102207 /nfs/dbraw/zinc/10/22/07/167102207.db2.gz TZNKZUKEYWZEDN-UHFFFAOYSA-N 0 0 197.281 3.701 10 0 AHAERN CCCC[C@@H](CC)c1nccs1 ZINC000033611280 166916534 /nfs/dbraw/zinc/91/65/34/166916534.db2.gz MMSRORBQJOQTSD-SECBINFHSA-N 0 0 183.320 3.827 10 0 AHAERN CC(=O)C(C)(C)CC1CCCCC1 ZINC000033611295 573532669 /nfs/dbraw/zinc/53/26/69/573532669.db2.gz MQIJHKKGQRWBMT-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCC[C@@H]1CC(C)=C[C@@H](C)O1 ZINC000033611408 166873914 /nfs/dbraw/zinc/87/39/14/166873914.db2.gz WGEOMGKTCSAKPW-VXGBXAGGSA-N 0 0 182.307 3.690 10 0 AHAERN CCCCC[C@H]1CC(C)=C[C@@H](C)O1 ZINC000033611409 343105892 /nfs/dbraw/zinc/10/58/92/343105892.db2.gz WGEOMGKTCSAKPW-NEPJUHHUSA-N 0 0 182.307 3.690 10 0 AHAERN CCCCC[C@@H]1CC(C)=C[C@H](C)O1 ZINC000033611410 351431071 /nfs/dbraw/zinc/43/10/71/351431071.db2.gz WGEOMGKTCSAKPW-NWDGAFQWSA-N 0 0 182.307 3.690 10 0 AHAERN CCCCC[C@H]1CC(C)=C[C@H](C)O1 ZINC000033611411 343105904 /nfs/dbraw/zinc/10/59/04/343105904.db2.gz WGEOMGKTCSAKPW-RYUDHWBXSA-N 0 0 182.307 3.690 10 0 AHAERN CC(C)=CCC[C@H](C)CCC[C@@H](C)O ZINC000033611442 573527579 /nfs/dbraw/zinc/52/75/79/573527579.db2.gz FMVQVNCSZAWHFS-QWHCGFSZSA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)=CCC[C@@H](C)CCC[C@@H](C)O ZINC000033611444 573529056 /nfs/dbraw/zinc/52/90/56/573529056.db2.gz FMVQVNCSZAWHFS-CHWSQXEVSA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)=CCC[C@@H](C)CCC[C@H](C)O ZINC000033611445 573531702 /nfs/dbraw/zinc/53/17/02/573531702.db2.gz FMVQVNCSZAWHFS-OLZOCXBDSA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)c1c(N)ccc2ccccc21 ZINC000033639624 572027498 /nfs/dbraw/zinc/02/74/98/572027498.db2.gz UKVVUDXSBIHZFX-UHFFFAOYSA-N 0 0 185.270 3.545 10 0 AHAERN CCCc1cc(Cl)cc(CC)c1O ZINC000033756345 572034953 /nfs/dbraw/zinc/03/49/53/572034953.db2.gz JVNXTUREBXMKOL-UHFFFAOYSA-N 0 0 198.693 3.561 10 0 AHAERN CC(C)=C=CSc1ccccc1 ZINC000033823174 573724492 /nfs/dbraw/zinc/72/44/92/573724492.db2.gz OFSFBXPMVYMWEB-UHFFFAOYSA-N 0 0 176.284 3.858 10 0 AHAERN CC[C@H]1Nc2ccccc2C=C[C@@H]1C ZINC000033835294 572037115 /nfs/dbraw/zinc/03/71/15/572037115.db2.gz GWPJNKKQDKJPSA-CMPLNLGQSA-N 0 0 187.286 3.540 10 0 AHAERN CC(=O)C/C=C1/C(C)=CCCC1(C)C ZINC000033840338 573786570 /nfs/dbraw/zinc/78/65/70/573786570.db2.gz HZVJADMTSQUBTR-WQLSENKSSA-N 0 0 192.302 3.658 10 0 AHAERN CCCCC/C=C/CCCCCO ZINC000033840813 343106999 /nfs/dbraw/zinc/10/69/99/343106999.db2.gz IENBWMQKVZLORT-VOTSOKGWSA-N 0 0 184.323 3.676 10 0 AHAERN C=COC/C=C(\C)CCC=C(C)C ZINC000033841571 573791083 /nfs/dbraw/zinc/79/10/83/573791083.db2.gz YBKJFYRRNMFOPP-FMIVXFBMSA-N 0 0 180.291 3.839 10 0 AHAERN C=C(C)/C=C/Sc1ccccc1 ZINC000033843401 573799162 /nfs/dbraw/zinc/79/91/62/573799162.db2.gz MMZIWXUQFASYBT-CMDGGOBGSA-N 0 0 176.284 3.869 10 0 AHAERN CC/C(Cl)=C(/CC)SC ZINC000033845518 573804403 /nfs/dbraw/zinc/80/44/03/573804403.db2.gz GSWJMPZXLVZWCK-VOTSOKGWSA-N 0 0 164.701 3.620 10 0 AHAERN CC(C)CCCCCCCCCO ZINC000033950862 351433716 /nfs/dbraw/zinc/43/37/16/351433716.db2.gz NQDZCRSUOVPTII-UHFFFAOYSA-N 0 0 186.339 3.756 10 0 in-vitro AHAERN CC(C)c1csc(C(C)C)c1 ZINC000033952111 572045328 /nfs/dbraw/zinc/04/53/28/572045328.db2.gz DYVZSMLRTPVVHP-UHFFFAOYSA-N 0 0 168.305 3.995 10 0 AHAERN CCCCC/C=C/C/C=C\CCCO ZINC000033953335 343108057 /nfs/dbraw/zinc/10/80/57/343108057.db2.gz RJYCGBIUZZJVLQ-KQHSAVHASA-N 0 0 196.334 3.842 10 0 AHAERN Cc1cc(-c2ccccc2)cc(C)c1O ZINC000033961716 343108652 /nfs/dbraw/zinc/10/86/52/343108652.db2.gz SPDODUOTLRAEOR-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN CC[C@@H](C)c1nc(Cl)sc1C ZINC000033966231 572047058 /nfs/dbraw/zinc/04/70/58/572047058.db2.gz RQVPRZPUEAPBCQ-RXMQYKEDSA-N 0 0 189.711 3.618 10 0 AHAERN CC[C@H](C)c1nc(Cl)sc1C ZINC000033966232 572046493 /nfs/dbraw/zinc/04/64/93/572046493.db2.gz RQVPRZPUEAPBCQ-YFKPBYRVSA-N 0 0 189.711 3.618 10 0 AHAERN CCc1ccc(O)c(-c2ccccc2)c1 ZINC000033966287 343108651 /nfs/dbraw/zinc/10/86/51/343108651.db2.gz WAWIDYDFJXHGDQ-UHFFFAOYSA-N 0 0 198.265 3.622 10 0 AHAERN CC1c2cc(Cl)ccc2OC1=S ZINC000033966299 572048665 /nfs/dbraw/zinc/04/86/65/572048665.db2.gz FFJIULXBRJZUKP-UHFFFAOYSA-N 0 0 198.674 3.683 10 0 AHAERN C1=C2/O[C@@H]2CCCCCCC\C=C/1 ZINC000033986016 166079477 /nfs/dbraw/zinc/07/94/77/166079477.db2.gz APOHERQVXMYBFG-CCBZMJGYSA-N 0 0 178.275 3.570 10 0 AHAERN Cc1ccc(-c2ccc(N)cc2C)cc1 ZINC000034017044 572000985 /nfs/dbraw/zinc/00/09/85/572000985.db2.gz VQIMTKHBUZXLNS-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN C[C@H](c1cccs1)c1ccccc1 ZINC000034061064 572050753 /nfs/dbraw/zinc/05/07/53/572050753.db2.gz QVLVXKKHSCUSCZ-JTQLQIEISA-N 0 0 188.295 3.900 10 0 AHAERN C[C@@H](c1cccs1)c1ccccc1 ZINC000034061065 168591177 /nfs/dbraw/zinc/59/11/77/168591177.db2.gz QVLVXKKHSCUSCZ-SNVBAGLBSA-N 0 0 188.295 3.900 10 0 AHAERN CCc1ccc(OC2CCCC2)cc1 ZINC000034061129 572050947 /nfs/dbraw/zinc/05/09/47/572050947.db2.gz YQRSXAZATWVMPC-UHFFFAOYSA-N 0 0 190.286 3.570 10 0 AHAERN c1ccc(N[C@H]2C=CCCCC2)cc1 ZINC000034067298 572051319 /nfs/dbraw/zinc/05/13/19/572051319.db2.gz RGJVDVNHBDHWFB-LBPRGKRZSA-N 0 0 187.286 3.597 10 0 AHAERN c1ccc(N[C@@H]2C=CCCCC2)cc1 ZINC000034067299 572050606 /nfs/dbraw/zinc/05/06/06/572050606.db2.gz RGJVDVNHBDHWFB-GFCCVEGCSA-N 0 0 187.286 3.597 10 0 AHAERN C/C=C(C)/C=C(/C)c1ccccc1N ZINC000034077518 572051900 /nfs/dbraw/zinc/05/19/00/572051900.db2.gz KEMRFKWHUXINEE-CEOLGQRUSA-N 0 0 187.286 3.638 10 0 AHAERN CCCCCCC(C)(C)CC(C)=O ZINC000034085947 572052877 /nfs/dbraw/zinc/05/28/77/572052877.db2.gz GGJMZURFJWGKEO-UHFFFAOYSA-N 0 0 184.323 3.962 10 0 AHAERN C=CO[C@H](C)CCCCCC ZINC000034099473 166212021 /nfs/dbraw/zinc/21/20/21/166212021.db2.gz TVDQSMSFFAXTJL-SNVBAGLBSA-N 0 0 156.269 3.505 10 0 AHAERN C=CO[C@@H](C)CCCCCC ZINC000034099474 166212069 /nfs/dbraw/zinc/21/20/69/166212069.db2.gz TVDQSMSFFAXTJL-JTQLQIEISA-N 0 0 156.269 3.505 10 0 AHAERN Cc1cccc2c(Cl)csc21 ZINC000034113205 572054250 /nfs/dbraw/zinc/05/42/50/572054250.db2.gz ALNILPAUPRMZLB-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN CSc1ccccc1C(C)(C)C ZINC000034115732 572056984 /nfs/dbraw/zinc/05/69/84/572056984.db2.gz RGTJSTWNDRUGGB-UHFFFAOYSA-N 0 0 180.316 3.706 10 0 AHAERN O=C1CCCCC[C@H]1C1CCCCC1 ZINC000034116041 169370294 /nfs/dbraw/zinc/37/02/94/169370294.db2.gz QXLGFPDKWOMTDZ-LBPRGKRZSA-N 0 0 194.318 3.716 10 0 AHAERN O=C1CCCCC[C@@H]1C1CCCCC1 ZINC000034116042 169370391 /nfs/dbraw/zinc/37/03/91/169370391.db2.gz QXLGFPDKWOMTDZ-GFCCVEGCSA-N 0 0 194.318 3.716 10 0 AHAERN CCCCC[C@H](O)c1ccccc1C ZINC000034128520 572001565 /nfs/dbraw/zinc/00/15/65/572001565.db2.gz BBBRZZVGORUQNA-ZDUSSCGKSA-N 0 0 192.302 3.609 10 0 AHAERN CCCCC[C@@H](O)c1ccccc1C ZINC000034128522 572002744 /nfs/dbraw/zinc/00/27/44/572002744.db2.gz BBBRZZVGORUQNA-CYBMUJFWSA-N 0 0 192.302 3.609 10 0 AHAERN CCCCOP(C)OCCCC ZINC000034139907 343111594 /nfs/dbraw/zinc/11/15/94/343111594.db2.gz JZVMQGJXQXMDHF-UHFFFAOYSA-N 0 0 192.239 3.562 10 0 AHAERN COc1c(C)cc(C(C)(C)C)cc1C ZINC000034144227 572477876 /nfs/dbraw/zinc/47/78/76/572477876.db2.gz WAYIMJCQBAYLEI-UHFFFAOYSA-N 0 0 192.302 3.610 10 0 AHAERN Cc1cc2c3ccccc3[nH]c2s1 ZINC000034153391 572058907 /nfs/dbraw/zinc/05/89/07/572058907.db2.gz BMNYJQQKPVANKW-UHFFFAOYSA-N 0 0 187.267 3.691 10 0 AHAERN CCCC[C@@H](C)C[C@H](O)CCCC ZINC000034153514 166914500 /nfs/dbraw/zinc/91/45/00/166914500.db2.gz AVIDYOQCKMQWLT-VXGBXAGGSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@@H](O)C[C@@H](C)CCCC ZINC000034153516 343111933 /nfs/dbraw/zinc/11/19/33/343111933.db2.gz AVIDYOQCKMQWLT-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@@H](C)C[C@@H](O)CCCC ZINC000034153518 166927139 /nfs/dbraw/zinc/92/71/39/166927139.db2.gz AVIDYOQCKMQWLT-NEPJUHHUSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@H](C)C[C@@H](O)CCCC ZINC000034153520 343112249 /nfs/dbraw/zinc/11/22/49/343112249.db2.gz AVIDYOQCKMQWLT-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN Cc1ccc(C)c2cc(Cl)ncc12 ZINC000034160553 343112164 /nfs/dbraw/zinc/11/21/64/343112164.db2.gz RPEODRIAFFBICX-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN Cc1cc(C)c2cnc(Cl)cc2c1 ZINC000034160555 537790934 /nfs/dbraw/zinc/79/09/34/537790934.db2.gz GQPRYRGVOAVMJC-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN c1csc([C@H]2C=CCCC2)c1 ZINC000034160837 343112025 /nfs/dbraw/zinc/11/20/25/343112025.db2.gz GWRQRRLWPWEZLE-VIFPVBQESA-N 0 0 164.273 3.572 10 0 AHAERN c1csc([C@@H]2C=CCCC2)c1 ZINC000034160838 343111984 /nfs/dbraw/zinc/11/19/84/343111984.db2.gz GWRQRRLWPWEZLE-SECBINFHSA-N 0 0 164.273 3.572 10 0 AHAERN Cc1cccc(OC2CCCCC2)c1 ZINC000034161136 572059071 /nfs/dbraw/zinc/05/90/71/572059071.db2.gz KWOBRCMCNRSCIE-UHFFFAOYSA-N 0 0 190.286 3.707 10 0 AHAERN Cc1cccc(O)c1C1CCCCC1 ZINC000034161137 572059695 /nfs/dbraw/zinc/05/96/95/572059695.db2.gz MOPDEMAOEMHGAS-UHFFFAOYSA-N 0 0 190.286 3.748 10 0 AHAERN COc1ccc(-c2ccccc2)cc1C ZINC000034164907 168243551 /nfs/dbraw/zinc/24/35/51/168243551.db2.gz OFRLFBNTGXOFPC-UHFFFAOYSA-N 0 0 198.265 3.671 10 0 AHAERN Cc1c2ccccc2oc1C(C)C ZINC000034165421 343112490 /nfs/dbraw/zinc/11/24/90/343112490.db2.gz JDRVBQXORVDDFK-UHFFFAOYSA-N 0 0 174.243 3.865 10 0 AHAERN CCCCCC[C@H](O)c1ccsc1 ZINC000034180395 572003110 /nfs/dbraw/zinc/00/31/10/572003110.db2.gz AWTUIDBXGFTLNN-NSHDSACASA-N 0 0 198.331 3.752 10 0 AHAERN CCCCCC[C@@H](O)c1ccsc1 ZINC000034180396 572002528 /nfs/dbraw/zinc/00/25/28/572002528.db2.gz AWTUIDBXGFTLNN-LLVKDONJSA-N 0 0 198.331 3.752 10 0 AHAERN CCCC[C@@H](CC)Cn1cccc1 ZINC000034183772 572063026 /nfs/dbraw/zinc/06/30/26/572063026.db2.gz JAZLHRMHHBYZIU-GFCCVEGCSA-N 0 0 179.307 3.705 10 0 AHAERN Cc1ccc(Cc2ccccc2)s1 ZINC000034184285 572062212 /nfs/dbraw/zinc/06/22/12/572062212.db2.gz YPDMCAOBALCKSR-UHFFFAOYSA-N 0 0 188.295 3.647 10 0 AHAERN C[C@H](c1ccsc1)c1ccccc1 ZINC000034184294 572476485 /nfs/dbraw/zinc/47/64/85/572476485.db2.gz RAEHXSVBNPRYDM-JTQLQIEISA-N 0 0 188.295 3.900 10 0 AHAERN C[C@@H](c1ccsc1)c1ccccc1 ZINC000034184295 572475303 /nfs/dbraw/zinc/47/53/03/572475303.db2.gz RAEHXSVBNPRYDM-SNVBAGLBSA-N 0 0 188.295 3.900 10 0 AHAERN CCCCCCc1ccccc1OC ZINC000034194395 343113314 /nfs/dbraw/zinc/11/33/14/343113314.db2.gz RZSNWOLFHMNNLA-UHFFFAOYSA-N 0 0 192.302 3.818 10 0 AHAERN C=COCCc1cccc2ccccc21 ZINC000034203560 343113624 /nfs/dbraw/zinc/11/36/24/343113624.db2.gz DJLCIBOMFPNFJI-UHFFFAOYSA-N 0 0 198.265 3.542 10 0 AHAERN CC1=C[C@@H](C)[C@@H](C)Nc2ccccc21 ZINC000034203985 572064910 /nfs/dbraw/zinc/06/49/10/572064910.db2.gz SBJZTEMAOWUJFL-MWLCHTKSSA-N 0 0 187.286 3.540 10 0 AHAERN CC1=C[C@H](C)[C@@H](C)Nc2ccccc21 ZINC000034203986 572065583 /nfs/dbraw/zinc/06/55/83/572065583.db2.gz SBJZTEMAOWUJFL-GXSJLCMTSA-N 0 0 187.286 3.540 10 0 AHAERN CC1=C[C@@H](C)[C@H](C)Nc2ccccc21 ZINC000034203987 572064119 /nfs/dbraw/zinc/06/41/19/572064119.db2.gz SBJZTEMAOWUJFL-KOLCDFICSA-N 0 0 187.286 3.540 10 0 AHAERN CC1=C[C@H](C)[C@H](C)Nc2ccccc21 ZINC000034203988 572065030 /nfs/dbraw/zinc/06/50/30/572065030.db2.gz SBJZTEMAOWUJFL-ONGXEEELSA-N 0 0 187.286 3.540 10 0 AHAERN CC(C)c1ccc(O)c2ccccc21 ZINC000034213124 572064442 /nfs/dbraw/zinc/06/44/42/572064442.db2.gz PSUZGCHZHKKTTP-UHFFFAOYSA-N 0 0 186.254 3.669 10 0 AHAERN c1ccc(OC2=CCCCC2)cc1 ZINC000034213917 572065289 /nfs/dbraw/zinc/06/52/89/572065289.db2.gz YQBRJWGMIPWMTK-UHFFFAOYSA-N 0 0 174.243 3.523 10 0 AHAERN C[C@@H]1CCC[C@H](c2ccc(O)cc2)C1 ZINC000034227083 572065019 /nfs/dbraw/zinc/06/50/19/572065019.db2.gz FEVHKBHNXSRDTN-PWSUYJOCSA-N 0 0 190.286 3.686 10 0 AHAERN C[C@H]1CCC[C@H](c2ccc(O)cc2)C1 ZINC000034227084 572065450 /nfs/dbraw/zinc/06/54/50/572065450.db2.gz FEVHKBHNXSRDTN-JQWIXIFHSA-N 0 0 190.286 3.686 10 0 AHAERN C[C@@H]1CCC[C@@H](c2ccc(O)cc2)C1 ZINC000034227085 572065265 /nfs/dbraw/zinc/06/52/65/572065265.db2.gz FEVHKBHNXSRDTN-ZYHUDNBSSA-N 0 0 190.286 3.686 10 0 AHAERN C[C@H]1CCC[C@@H](c2ccc(O)cc2)C1 ZINC000034227086 572064973 /nfs/dbraw/zinc/06/49/73/572064973.db2.gz FEVHKBHNXSRDTN-CMPLNLGQSA-N 0 0 190.286 3.686 10 0 AHAERN CC(C)c1ccc(N)cc1C(C)C ZINC000034245077 572067276 /nfs/dbraw/zinc/06/72/76/572067276.db2.gz YQBCQWYZOXZDAI-UHFFFAOYSA-N 0 0 177.291 3.516 10 0 AHAERN CC(C)=CCc1cc2ccccc2[nH]1 ZINC000034251256 572066809 /nfs/dbraw/zinc/06/68/09/572066809.db2.gz FTVURCMTMLZCNU-UHFFFAOYSA-N 0 0 185.270 3.677 10 0 AHAERN CC(C)(C)c1cccc2ccoc21 ZINC000034266124 166387538 /nfs/dbraw/zinc/38/75/38/166387538.db2.gz OEIPGMYNSOVWOS-UHFFFAOYSA-N 0 0 174.243 3.730 10 0 AHAERN C[C@@H]1CCCC[C@@H]1c1ccccc1O ZINC000034276297 572070125 /nfs/dbraw/zinc/07/01/25/572070125.db2.gz BBUQNJSKIMGKGS-MNOVXSKESA-N 0 0 190.286 3.686 10 0 AHAERN C[C@H]1CCCC[C@@H]1c1ccccc1O ZINC000034276298 572069847 /nfs/dbraw/zinc/06/98/47/572069847.db2.gz BBUQNJSKIMGKGS-QWRGUYRKSA-N 0 0 190.286 3.686 10 0 AHAERN C[C@@H]1CCCC[C@H]1c1ccccc1O ZINC000034276299 572070016 /nfs/dbraw/zinc/07/00/16/572070016.db2.gz BBUQNJSKIMGKGS-GHMZBOCLSA-N 0 0 190.286 3.686 10 0 AHAERN C[C@H]1CCCC[C@H]1c1ccccc1O ZINC000034276300 572070487 /nfs/dbraw/zinc/07/04/87/572070487.db2.gz BBUQNJSKIMGKGS-WDEREUQCSA-N 0 0 190.286 3.686 10 0 AHAERN CC(C)c1ccc(F)c(C(C)C)c1N ZINC000034302353 572072343 /nfs/dbraw/zinc/07/23/43/572072343.db2.gz DSDCZVHJVIVWJK-UHFFFAOYSA-N 0 0 195.281 3.655 10 0 AHAERN OCCCCCCCCCC1CC1 ZINC000034303607 572474299 /nfs/dbraw/zinc/47/42/99/572474299.db2.gz WBLQPVYQPZDBHS-UHFFFAOYSA-N 0 0 184.323 3.510 10 0 AHAERN CC(C)c1cccc(O)c1C(C)C ZINC000034307612 171055166 /nfs/dbraw/zinc/05/51/66/171055166.db2.gz ZEFOXNBIQIPHOP-UHFFFAOYSA-N 0 0 178.275 3.639 10 0 AHAERN Cc1cccc(C2CCCCC2)c1N ZINC000034311212 572073019 /nfs/dbraw/zinc/07/30/19/572073019.db2.gz ILRRRHXKLKGOCF-UHFFFAOYSA-N 0 0 189.302 3.625 10 0 AHAERN c1cc2cccc(-c3ccccc3)c2[nH]1 ZINC000034319888 351437861 /nfs/dbraw/zinc/43/78/61/351437861.db2.gz PIEDFMITVNDHRR-UHFFFAOYSA-N 0 0 193.249 3.835 10 0 AHAERN CC(C)(C)CNc1cccc(Cl)c1 ZINC000034328131 166352951 /nfs/dbraw/zinc/35/29/51/166352951.db2.gz AQQCZBWHGGYBFE-UHFFFAOYSA-N 0 0 197.709 3.798 10 0 AHAERN C/C=C/c1ccc2ccccc2c1C=O ZINC000034329116 343116658 /nfs/dbraw/zinc/11/66/58/343116658.db2.gz DSEMICGDVDIXFC-GORDUTHDSA-N 0 0 196.249 3.685 10 0 AHAERN CC(C)=CCC[C@H](C)CC(C)(C)O ZINC000034329974 571751754 /nfs/dbraw/zinc/75/17/54/571751754.db2.gz QRDZETOZNQTTCN-NSHDSACASA-N 0 0 184.323 3.530 10 0 endogenous,in-man AHAERN CC(C)=CCC[C@@H](C)CC(C)(C)O ZINC000034329975 571751659 /nfs/dbraw/zinc/75/16/59/571751659.db2.gz QRDZETOZNQTTCN-LLVKDONJSA-N 0 0 184.323 3.530 10 0 endogenous,in-man AHAERN CC1CCC(c2ccccc2N)CC1 ZINC000034330544 343116632 /nfs/dbraw/zinc/11/66/32/343116632.db2.gz UAWMGJZHHZMGGO-UHFFFAOYSA-N 0 0 189.302 3.563 10 0 AHAERN CCCCc1ccnc2ccccc12 ZINC000034333554 343116751 /nfs/dbraw/zinc/11/67/51/343116751.db2.gz MTSCTQMKKVEJHD-UHFFFAOYSA-N 0 0 185.270 3.577 10 0 AHAERN Cc1ccc(Sc2ccoc2)cc1 ZINC000034333915 572075139 /nfs/dbraw/zinc/07/51/39/572075139.db2.gz IQLSQWOWLPMNHP-UHFFFAOYSA-N 0 0 190.267 3.739 10 0 AHAERN CCCc1cccc(C(C)(C)C)c1O ZINC000034343584 572075592 /nfs/dbraw/zinc/07/55/92/572075592.db2.gz LAGXUTVLYNKEAR-UHFFFAOYSA-N 0 0 192.302 3.642 10 0 AHAERN CC(C)=CCc1cc(C)c(O)c(C)c1 ZINC000034349352 572075668 /nfs/dbraw/zinc/07/56/68/572075668.db2.gz QQTKVFMMTGAFAX-UHFFFAOYSA-N 0 0 190.286 3.518 10 0 AHAERN CCCCCCC(CC)(CC)CO ZINC000034355681 166849423 /nfs/dbraw/zinc/84/94/23/166849423.db2.gz MJKPLVMBVACMFD-UHFFFAOYSA-N 0 0 186.339 3.756 10 0 AHAERN Cc1cccc2sc(Cl)cc21 ZINC000034364011 572077913 /nfs/dbraw/zinc/07/79/13/572077913.db2.gz YKPBAYVYOBTOJY-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN Cc1cccc2cc(Cl)sc21 ZINC000034364014 572077694 /nfs/dbraw/zinc/07/76/94/572077694.db2.gz VPLZGHUGTSHIFG-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN Cc1cc(C(C)C)cc(C(C)C)c1O ZINC000034370653 572077246 /nfs/dbraw/zinc/07/72/46/572077246.db2.gz LADKWSMQLGWIOE-UHFFFAOYSA-N 0 0 192.302 3.947 10 0 AHAERN c1cc(-n2ccc3ccccc32)cs1 ZINC000034371955 572076448 /nfs/dbraw/zinc/07/64/48/572076448.db2.gz QYYJTVXSRLSEDZ-UHFFFAOYSA-N 0 0 199.278 3.692 10 0 AHAERN c1csc(-n2ccc3ccccc32)c1 ZINC000034371957 572076233 /nfs/dbraw/zinc/07/62/33/572076233.db2.gz IBKAUALXZXRNLU-UHFFFAOYSA-N 0 0 199.278 3.692 10 0 AHAERN CCc1cc(C)cc(C(C)(C)C)c1O ZINC000034375820 572076633 /nfs/dbraw/zinc/07/66/33/572076633.db2.gz SXAKTPPFZAVMJR-UHFFFAOYSA-N 0 0 192.302 3.561 10 0 AHAERN CCC1(CC)CCc2ccccc2O1 ZINC000034405816 343118153 /nfs/dbraw/zinc/11/81/53/343118153.db2.gz OPJJOMIPHKFUKV-UHFFFAOYSA-N 0 0 190.286 3.570 10 0 AHAERN COCc1ccc(-c2ccccc2)cc1 ZINC000034406692 571952485 /nfs/dbraw/zinc/95/24/85/571952485.db2.gz KAYWCNMTNWESKH-UHFFFAOYSA-N 0 0 198.265 3.500 10 0 AHAERN CC(C)c1coc2ccccc21 ZINC000034408161 343118128 /nfs/dbraw/zinc/11/81/28/343118128.db2.gz OCIGHXVYRYKMIK-UHFFFAOYSA-N 0 0 160.216 3.556 10 0 AHAERN CC(C)(C)c1cc2ccccc2o1 ZINC000034408266 166384922 /nfs/dbraw/zinc/38/49/22/166384922.db2.gz BFNOOVFUBXWUEP-UHFFFAOYSA-N 0 0 174.243 3.730 10 0 AHAERN CC(C)CCC[C@H]1CCCCC1=O ZINC000034408362 572003689 /nfs/dbraw/zinc/00/36/89/572003689.db2.gz JRDINTKRAVGSJI-LLVKDONJSA-N 0 0 182.307 3.572 10 0 AHAERN COc1ccc(-c2ccccc2)c(C)c1 ZINC000034408572 168242861 /nfs/dbraw/zinc/24/28/61/168242861.db2.gz IGTPDBJCTAWBSM-UHFFFAOYSA-N 0 0 198.265 3.671 10 0 AHAERN C=COc1ccccc1-c1ccccc1 ZINC000034410610 572078670 /nfs/dbraw/zinc/07/86/70/572078670.db2.gz TTZNALWEAVOYKD-UHFFFAOYSA-N 0 0 196.249 3.876 10 0 AHAERN Cc1ccc(C)c2sccc21 ZINC000034413178 572078776 /nfs/dbraw/zinc/07/87/76/572078776.db2.gz BORXODZIQVCONU-UHFFFAOYSA-N 0 0 162.257 3.518 10 0 AHAERN CC(C)c1cccc2c(C=O)ccc-2c1 ZINC000034415043 343118942 /nfs/dbraw/zinc/11/89/42/343118942.db2.gz LLORLRZCEYBPBN-UHFFFAOYSA-N 0 0 198.265 3.727 10 0 AHAERN CC[C@@H](C)c1cc(Cl)c(C)cc1O ZINC000034426890 343118952 /nfs/dbraw/zinc/11/89/52/343118952.db2.gz BRYHBLAGEXUHSL-SSDOTTSWSA-N 0 0 198.693 3.868 10 0 AHAERN CC[C@H](C)c1cc(Cl)c(C)cc1O ZINC000034426891 343118846 /nfs/dbraw/zinc/11/88/46/343118846.db2.gz BRYHBLAGEXUHSL-ZETCQYMHSA-N 0 0 198.693 3.868 10 0 AHAERN Cc1cc(O)c(C(C)C)c(C)c1Cl ZINC000034426892 572081314 /nfs/dbraw/zinc/08/13/14/572081314.db2.gz QFVWWVICQQINNI-UHFFFAOYSA-N 0 0 198.693 3.786 10 0 AHAERN CCC(C)(C)C1CCC(CCO)CC1 ZINC000034427895 343118938 /nfs/dbraw/zinc/11/89/38/343118938.db2.gz LXOBBTDHWPGKFV-UHFFFAOYSA-N 0 0 198.350 3.611 10 0 AHAERN CC(C)(C)S/C(Cl)=C\Cl ZINC000034449737 572081162 /nfs/dbraw/zinc/08/11/62/572081162.db2.gz MBEXAQYLIAHPHM-PLNGDYQASA-N 0 0 185.119 3.795 10 0 AHAERN CCCCc1cc2cc(F)ccc2[nH]1 ZINC000034450187 572084637 /nfs/dbraw/zinc/08/46/37/572084637.db2.gz LIXQWYLARUYPQI-UHFFFAOYSA-N 0 0 191.249 3.650 10 0 AHAERN CC(C)c1cc2cc[nH]c2cc1Cl ZINC000034450350 572084652 /nfs/dbraw/zinc/08/46/52/572084652.db2.gz UXWBQWDSPMQHGC-UHFFFAOYSA-N 0 0 193.677 3.945 10 0 AHAERN Fc1cccc2c3ccccc3oc21 ZINC000034455144 343119639 /nfs/dbraw/zinc/11/96/39/343119639.db2.gz DTGQSIVGPGVYAQ-UHFFFAOYSA-N 0 0 186.185 3.725 10 0 AHAERN CC(C)=CCc1cc(C)c(O)cc1C ZINC000034455216 572083798 /nfs/dbraw/zinc/08/37/98/572083798.db2.gz QWECMCFCJDDOQQ-UHFFFAOYSA-N 0 0 190.286 3.518 10 0 AHAERN O=C1CCCC[C@H]1CC1CCCCC1 ZINC000034464470 572084144 /nfs/dbraw/zinc/08/41/44/572084144.db2.gz CHILPSSZRLATIR-LBPRGKRZSA-N 0 0 194.318 3.716 10 0 AHAERN O=C1CCCC[C@@H]1CC1CCCCC1 ZINC000034464471 572083848 /nfs/dbraw/zinc/08/38/48/572083848.db2.gz CHILPSSZRLATIR-GFCCVEGCSA-N 0 0 194.318 3.716 10 0 AHAERN C=Cc1cccc2c3ccccc3[nH]c21 ZINC000034469956 166223371 /nfs/dbraw/zinc/22/33/71/166223371.db2.gz APQXWKHOGQFGTB-UHFFFAOYSA-N 0 0 193.249 3.964 10 0 AHAERN CCC/C=C/c1ccc(OC)cc1 ZINC000034479484 343119932 /nfs/dbraw/zinc/11/99/32/343119932.db2.gz GXUWCUSBTMBAPX-AATRIKPKSA-N 0 0 176.259 3.509 10 0 AHAERN c1csc(CCc2ccccc2)c1 ZINC000034480123 171055731 /nfs/dbraw/zinc/05/57/31/171055731.db2.gz YOUKACFJPBBLKB-UHFFFAOYSA-N 0 0 188.295 3.533 10 0 AHAERN CCCc1c(C)[nH]c2ccc(F)cc21 ZINC000034480276 572085889 /nfs/dbraw/zinc/08/58/89/572085889.db2.gz REHXKMMTWIDYLX-UHFFFAOYSA-N 0 0 191.249 3.568 10 0 AHAERN Cc1ccc2c(c1)SCCC2(C)C ZINC000034480377 343120163 /nfs/dbraw/zinc/12/01/63/343120163.db2.gz KDLSUKOUQHWVNO-UHFFFAOYSA-N 0 0 192.327 3.768 10 0 AHAERN c1csc([C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000034484494 343119966 /nfs/dbraw/zinc/11/99/66/343119966.db2.gz WMRTVEZBIUWERL-IVZWLZJFSA-N 0 0 178.300 3.652 10 0 AHAERN Clc1cc2ccoc2cc1Cl ZINC000034490452 572085004 /nfs/dbraw/zinc/08/50/04/572085004.db2.gz MCHGBWHBBDJKJT-UHFFFAOYSA-N 0 0 187.025 3.740 10 0 AHAERN CC[C@@H](C)c1cc2ccccc2[nH]1 ZINC000034497816 572088638 /nfs/dbraw/zinc/08/86/38/572088638.db2.gz NCROCYRINMLLDX-SECBINFHSA-N 0 0 173.259 3.681 10 0 AHAERN CC[C@H](C)c1cc2ccccc2[nH]1 ZINC000034497817 572088462 /nfs/dbraw/zinc/08/84/62/572088462.db2.gz NCROCYRINMLLDX-VIFPVBQESA-N 0 0 173.259 3.681 10 0 AHAERN Cc1ccccc1Cc1cccs1 ZINC000034500629 171055343 /nfs/dbraw/zinc/05/53/43/171055343.db2.gz PETSOUGHWYGAQL-UHFFFAOYSA-N 0 0 188.295 3.647 10 0 AHAERN CC[C@@H]1CC(C)(C)Nc2ccccc21 ZINC000034500701 343120900 /nfs/dbraw/zinc/12/09/00/343120900.db2.gz ZSXZWZVNURIWDN-SNVBAGLBSA-N 0 0 189.302 3.774 10 0 AHAERN CC[C@H]1CC(C)(C)Nc2ccccc21 ZINC000034500704 343120741 /nfs/dbraw/zinc/12/07/41/343120741.db2.gz ZSXZWZVNURIWDN-JTQLQIEISA-N 0 0 189.302 3.774 10 0 AHAERN OC1CCCC(=C2CCCC2)CCC1 ZINC000034501177 572088150 /nfs/dbraw/zinc/08/81/50/572088150.db2.gz ZBUFXHJHEJHJCH-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN Cc1ccc(N[C@H]2C=CCCC2)cc1 ZINC000034515227 572089251 /nfs/dbraw/zinc/08/92/51/572089251.db2.gz SHBZAWZNCXPZEW-LBPRGKRZSA-N 0 0 187.286 3.516 10 0 AHAERN Cc1ccc(N[C@@H]2C=CCCC2)cc1 ZINC000034515228 572088713 /nfs/dbraw/zinc/08/87/13/572088713.db2.gz SHBZAWZNCXPZEW-GFCCVEGCSA-N 0 0 187.286 3.516 10 0 AHAERN Fc1cccc2oc3ccccc3c21 ZINC000034528321 169088370 /nfs/dbraw/zinc/08/83/70/169088370.db2.gz ZKWVQQKHVNMZGM-UHFFFAOYSA-N 0 0 186.185 3.725 10 0 AHAERN CC[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000034529746 351442565 /nfs/dbraw/zinc/44/25/65/351442565.db2.gz HICYIGQVEOLXJO-MRVPVSSYSA-N 0 0 196.677 3.569 10 0 AHAERN CC[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000034529748 343121036 /nfs/dbraw/zinc/12/10/36/343121036.db2.gz HICYIGQVEOLXJO-QMMMGPOBSA-N 0 0 196.677 3.569 10 0 AHAERN C/C=C(\C)CSc1ccccc1 ZINC000034534161 343121185 /nfs/dbraw/zinc/12/11/85/343121185.db2.gz BWDJSQHARYGLQT-XCVCLJGOSA-N 0 0 178.300 3.745 10 0 AHAERN CCCC(=O)CCC1CCCCC1 ZINC000034534257 343121054 /nfs/dbraw/zinc/12/10/54/343121054.db2.gz DHTQBSDQBYPRKC-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN Cc1cc(Nc2ccccc2)cs1 ZINC000034534436 572089783 /nfs/dbraw/zinc/08/97/83/572089783.db2.gz MTJOGGKYSITQBC-UHFFFAOYSA-N 0 0 189.283 3.800 10 0 AHAERN Cc1cccc(C)c1OCC(C)(C)C ZINC000034534563 571982087 /nfs/dbraw/zinc/98/20/87/571982087.db2.gz YNFBHOJORGWFHT-UHFFFAOYSA-N 0 0 192.302 3.728 10 0 AHAERN Cc1ccc(N)c(C2CCCCC2)c1 ZINC000034536633 343121031 /nfs/dbraw/zinc/12/10/31/343121031.db2.gz CPEMLUPYUPBVFA-UHFFFAOYSA-N 0 0 189.302 3.625 10 0 AHAERN C[C@@H]1CCC[C@H](c2ccccc2N)C1 ZINC000034537271 343121168 /nfs/dbraw/zinc/12/11/68/343121168.db2.gz BFEPVDPVTBLAPY-MNOVXSKESA-N 0 0 189.302 3.563 10 0 AHAERN C[C@H]1CCC[C@H](c2ccccc2N)C1 ZINC000034537272 343121187 /nfs/dbraw/zinc/12/11/87/343121187.db2.gz BFEPVDPVTBLAPY-QWRGUYRKSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@@H]1CCC[C@@H](c2ccccc2N)C1 ZINC000034537273 343121066 /nfs/dbraw/zinc/12/10/66/343121066.db2.gz BFEPVDPVTBLAPY-GHMZBOCLSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@H]1CCC[C@@H](c2ccccc2N)C1 ZINC000034537274 343121096 /nfs/dbraw/zinc/12/10/96/343121096.db2.gz BFEPVDPVTBLAPY-WDEREUQCSA-N 0 0 189.302 3.563 10 0 AHAERN Cc1cc(-c2ccc(Cl)cc2)co1 ZINC000034541153 572093498 /nfs/dbraw/zinc/09/34/98/572093498.db2.gz ZGJREUXDWHZKBJ-UHFFFAOYSA-N 0 0 192.645 3.908 10 0 AHAERN CNc1ccc(Cl)c2ccccc12 ZINC000034546003 171056547 /nfs/dbraw/zinc/05/65/47/171056547.db2.gz JSERCPJVFYCTSE-UHFFFAOYSA-N 0 0 191.661 3.535 10 0 AHAERN CC(C)(C)CNc1ccc(Cl)cc1 ZINC000034546074 166354816 /nfs/dbraw/zinc/35/48/16/166354816.db2.gz LBHFVLKDBLYKHM-UHFFFAOYSA-N 0 0 197.709 3.798 10 0 AHAERN Cc1ccccc1N[C@H]1C=CCCC1 ZINC000034551059 572094240 /nfs/dbraw/zinc/09/42/40/572094240.db2.gz IHGYAEMYIAMANS-LBPRGKRZSA-N 0 0 187.286 3.516 10 0 AHAERN Cc1ccccc1N[C@@H]1C=CCCC1 ZINC000034551061 572092275 /nfs/dbraw/zinc/09/22/75/572092275.db2.gz IHGYAEMYIAMANS-GFCCVEGCSA-N 0 0 187.286 3.516 10 0 AHAERN CCCCc1cnc2ccccc2c1 ZINC000034552382 572092628 /nfs/dbraw/zinc/09/26/28/572092628.db2.gz KONZBMGSDJYCCM-UHFFFAOYSA-N 0 0 185.270 3.577 10 0 AHAERN CC(C)c1ccc(C(C)C)c(N)c1 ZINC000034558032 572092971 /nfs/dbraw/zinc/09/29/71/572092971.db2.gz NBIUVZLUCMDFPH-UHFFFAOYSA-N 0 0 177.291 3.516 10 0 AHAERN CC(C)(C)Cc1c[nH]c2ccccc12 ZINC000034558463 572093258 /nfs/dbraw/zinc/09/32/58/572093258.db2.gz QGHUUDBHTLNOLN-UHFFFAOYSA-N 0 0 187.286 3.757 10 0 AHAERN c1cc2nc3ccsc3cc2s1 ZINC000034568261 571678348 /nfs/dbraw/zinc/67/83/48/571678348.db2.gz DTBAXJMHWPMREF-UHFFFAOYSA-N 0 0 191.280 3.511 10 0 AHAERN Cc1ccc(O)c([C@@H](C)C(C)(C)C)c1 ZINC000034568308 572095711 /nfs/dbraw/zinc/09/57/11/572095711.db2.gz SOERRFBHXBLPLC-SNVBAGLBSA-N 0 0 192.302 3.850 10 0 AHAERN Cc1ccc(O)c([C@H](C)C(C)(C)C)c1 ZINC000034568310 572096431 /nfs/dbraw/zinc/09/64/31/572096431.db2.gz SOERRFBHXBLPLC-JTQLQIEISA-N 0 0 192.302 3.850 10 0 AHAERN C=COc1ccc(-c2ccccc2)cc1 ZINC000034573404 166212093 /nfs/dbraw/zinc/21/20/93/166212093.db2.gz MBIFYMVTNLSFRE-UHFFFAOYSA-N 0 0 196.249 3.876 10 0 AHAERN COc1cc2ccccc2cc1Cl ZINC000034574033 351443446 /nfs/dbraw/zinc/44/34/46/351443446.db2.gz SUHHKKKOOXECON-UHFFFAOYSA-N 0 0 192.645 3.502 10 0 AHAERN Cc1cc2ccc3ccccc3c2[nH]1 ZINC000034581632 572094931 /nfs/dbraw/zinc/09/49/31/572094931.db2.gz FLUACKUJKJAYKI-UHFFFAOYSA-N 0 0 181.238 3.630 10 0 AHAERN C/C=C(/[C@H](O)CCC)C1CCCCC1 ZINC000034589988 571843231 /nfs/dbraw/zinc/84/32/31/571843231.db2.gz SCNWBLLNSABQKF-YKAQBRKTSA-N 0 0 196.334 3.674 10 0 AHAERN CCCCCC[C@H](O)C1CCCCC1 ZINC000034590052 572003944 /nfs/dbraw/zinc/00/39/44/572003944.db2.gz MAYZCCNZEWNREN-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@@H](O)C1CCCCC1 ZINC000034590054 572004882 /nfs/dbraw/zinc/00/48/82/572004882.db2.gz MAYZCCNZEWNREN-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CCCc1nc2cccccc-2c1CC ZINC000034590088 167112479 /nfs/dbraw/zinc/11/24/79/167112479.db2.gz ZFDMOCAIVRFGGK-UHFFFAOYSA-N 0 0 199.297 3.701 10 0 AHAERN CC(C)CCC[C@H](O)c1ccccc1 ZINC000034596963 572005388 /nfs/dbraw/zinc/00/53/88/572005388.db2.gz OVIHSMJIUIPZNM-ZDUSSCGKSA-N 0 0 192.302 3.546 10 0 AHAERN CC(C)CCC[C@@H](O)c1ccccc1 ZINC000034596964 572004639 /nfs/dbraw/zinc/00/46/39/572004639.db2.gz OVIHSMJIUIPZNM-CYBMUJFWSA-N 0 0 192.302 3.546 10 0 AHAERN CC(C)=Cc1ncc(-c2ccccc2)o1 ZINC000034597116 571885894 /nfs/dbraw/zinc/88/58/94/571885894.db2.gz BBPNOEXWTKQLLK-UHFFFAOYSA-N 0 0 199.253 3.765 10 0 AHAERN CCCCC/C=C/C=C/C=C/CCO ZINC000034599671 571893930 /nfs/dbraw/zinc/89/39/30/571893930.db2.gz SBOIDXSKCMDXFC-OBWVEWQSSA-N 0 0 194.318 3.618 10 0 AHAERN CCCC[C@@H](O)c1ccc(Cl)cc1 ZINC000034599777 166920341 /nfs/dbraw/zinc/92/03/41/166920341.db2.gz OTKVXQZAKPBMRO-LLVKDONJSA-N 0 0 198.693 3.564 10 0 AHAERN CC[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000034611699 351444290 /nfs/dbraw/zinc/44/42/90/351444290.db2.gz DYAQSKLBHLESRW-MRVPVSSYSA-N 0 0 196.677 3.569 10 0 AHAERN CC[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000034611701 343123446 /nfs/dbraw/zinc/12/34/46/343123446.db2.gz DYAQSKLBHLESRW-QMMMGPOBSA-N 0 0 196.677 3.569 10 0 AHAERN C/C(=C\C1CCCCC1)[C@H](O)C(C)C ZINC000034618999 572103376 /nfs/dbraw/zinc/10/33/76/572103376.db2.gz OOSVXJCLCKXFBO-YGNAEDSMSA-N 0 0 196.334 3.530 10 0 AHAERN CC1(C)CC(C)(C)c2ccccc2O1 ZINC000034623111 343123716 /nfs/dbraw/zinc/12/37/16/343123716.db2.gz NHDVFXNUAUYRHR-UHFFFAOYSA-N 0 0 190.286 3.525 10 0 AHAERN Cc1ccc(S/C=C/Cl)cc1 ZINC000034624377 572103362 /nfs/dbraw/zinc/10/33/62/572103362.db2.gz JZNAFNLEGFOKGH-VOTSOKGWSA-N 0 0 184.691 3.797 10 0 AHAERN C=Cc1ccc(OCCCC)cc1 ZINC000034638691 166222358 /nfs/dbraw/zinc/22/23/58/166222358.db2.gz FVLTXCPGQRZFBQ-UHFFFAOYSA-N 0 0 176.259 3.509 10 0 AHAERN Cc1ccc(C)c(-c2ccccc2)c1O ZINC000034638760 571963749 /nfs/dbraw/zinc/96/37/49/571963749.db2.gz VVUFNNMGVNCTED-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN CC1(C)C=Cc2cc(Cl)ccc2N1 ZINC000034723686 572105838 /nfs/dbraw/zinc/10/58/38/572105838.db2.gz NNWSAGUZAVFGSL-UHFFFAOYSA-N 0 0 193.677 3.557 10 0 AHAERN CC[C@@H](C)c1ccc2[nH]ccc2c1 ZINC000034758885 572107927 /nfs/dbraw/zinc/10/79/27/572107927.db2.gz YXFJPPJKFXDSFJ-SECBINFHSA-N 0 0 173.259 3.681 10 0 AHAERN CC[C@H](C)c1ccc2[nH]ccc2c1 ZINC000034758886 572107860 /nfs/dbraw/zinc/10/78/60/572107860.db2.gz YXFJPPJKFXDSFJ-VIFPVBQESA-N 0 0 173.259 3.681 10 0 AHAERN CCc1cccc2c3ccccc3[nH]c21 ZINC000034781151 167753042 /nfs/dbraw/zinc/75/30/42/167753042.db2.gz HOQAPVYOGBLGOC-UHFFFAOYSA-N 0 0 195.265 3.884 10 0 AHAERN CCCCCCOCc1ccccc1 ZINC000034827412 343125614 /nfs/dbraw/zinc/12/56/14/343125614.db2.gz ZLXJQWNJZOHNSZ-UHFFFAOYSA-N 0 0 191.294 3.598 10 0 AHAERN CCCC/C=C/OCCCC ZINC000034876397 572111791 /nfs/dbraw/zinc/11/17/91/572111791.db2.gz GZVLVDUDXHFYHT-CSKARUKUSA-N 0 0 156.269 3.507 10 0 AHAERN CCC(CC)C(=O)c1ccc(C)s1 ZINC000034976787 343127200 /nfs/dbraw/zinc/12/72/00/343127200.db2.gz VCTPRZCCODSTQG-UHFFFAOYSA-N 0 0 196.315 3.675 10 0 AHAERN CCc1ccc(C(=O)C(C)(C)C)s1 ZINC000034976830 572113651 /nfs/dbraw/zinc/11/36/51/572113651.db2.gz APQJXYLEYAYOMH-UHFFFAOYSA-N 0 0 196.315 3.539 10 0 AHAERN CCc1ccc(C(=O)[C@@H](C)CC)s1 ZINC000034976838 572006945 /nfs/dbraw/zinc/00/69/45/572006945.db2.gz YXJPOJCLEGDPGL-QMMMGPOBSA-N 0 0 196.315 3.539 10 0 AHAERN CCc1ccc(C(=O)[C@H](C)CC)s1 ZINC000034976840 572006349 /nfs/dbraw/zinc/00/63/49/572006349.db2.gz YXJPOJCLEGDPGL-MRVPVSSYSA-N 0 0 196.315 3.539 10 0 AHAERN Cc1cc(C(=O)C(C)(C)C)c(C)s1 ZINC000034976948 343127143 /nfs/dbraw/zinc/12/71/43/343127143.db2.gz BXPZWUUNIKUVER-UHFFFAOYSA-N 0 0 196.315 3.594 10 0 AHAERN CC[C@@H](C)C(=O)c1cc(C)sc1C ZINC000034976957 572114405 /nfs/dbraw/zinc/11/44/05/572114405.db2.gz ZRLAWVHAPMHIIX-SSDOTTSWSA-N 0 0 196.315 3.594 10 0 AHAERN CC[C@H](C)C(=O)c1cc(C)sc1C ZINC000034976958 572113308 /nfs/dbraw/zinc/11/33/08/572113308.db2.gz ZRLAWVHAPMHIIX-ZETCQYMHSA-N 0 0 196.315 3.594 10 0 AHAERN c1ccc2c(c1)C=CNc1ccccc1-2 ZINC000034997558 166080008 /nfs/dbraw/zinc/08/00/08/166080008.db2.gz VIQDTRXYTKXIMM-UHFFFAOYSA-N 0 0 193.249 3.750 10 0 AHAERN CCNc1ccc([C@H](C)CC)cc1 ZINC000035023412 167309687 /nfs/dbraw/zinc/30/96/87/167309687.db2.gz MLUKQUZXPCHNGU-SNVBAGLBSA-N 0 0 177.291 3.632 10 0 AHAERN CCNc1ccc([C@@H](C)CC)cc1 ZINC000035023414 167310217 /nfs/dbraw/zinc/31/02/17/167310217.db2.gz MLUKQUZXPCHNGU-JTQLQIEISA-N 0 0 177.291 3.632 10 0 AHAERN CC(C)(C)[C@H]1OC=Cc2ccccc21 ZINC000035071133 166380875 /nfs/dbraw/zinc/38/08/75/166380875.db2.gz PETITSDZGITVKS-LBPRGKRZSA-N 0 0 188.270 3.775 10 0 AHAERN Cc1ccc(C)n1CC1CCCCC1 ZINC000035120082 572122362 /nfs/dbraw/zinc/12/23/62/572122362.db2.gz OVOFZSJMMKLDCP-UHFFFAOYSA-N 0 0 191.318 3.685 10 0 AHAERN c1ccn(C2CCCCCCC2)c1 ZINC000035120217 572123904 /nfs/dbraw/zinc/12/39/04/572123904.db2.gz VOFMQXONIQTMFO-UHFFFAOYSA-N 0 0 177.291 3.774 10 0 AHAERN Cc1ccc(C)n1[C@@H]1CCCC[C@@H]1C ZINC000035120278 343128389 /nfs/dbraw/zinc/12/83/89/343128389.db2.gz YWSZGZOUXNFWJC-GXFFZTMASA-N 0 0 191.318 3.856 10 0 AHAERN Cc1ccc(C)n1[C@H]1CCCC[C@@H]1C ZINC000035120280 343128237 /nfs/dbraw/zinc/12/82/37/343128237.db2.gz YWSZGZOUXNFWJC-GWCFXTLKSA-N 0 0 191.318 3.856 10 0 AHAERN Cc1ccc(C)n1[C@@H]1CCCC[C@H]1C ZINC000035120282 343128273 /nfs/dbraw/zinc/12/82/73/343128273.db2.gz YWSZGZOUXNFWJC-ZWNOBZJWSA-N 0 0 191.318 3.856 10 0 AHAERN Cc1ccc(C)n1[C@H]1CCCC[C@H]1C ZINC000035120283 343128232 /nfs/dbraw/zinc/12/82/32/343128232.db2.gz YWSZGZOUXNFWJC-MFKMUULPSA-N 0 0 191.318 3.856 10 0 AHAERN Cc1ccc(C)n1C1CCC(C)CC1 ZINC000035120300 168808791 /nfs/dbraw/zinc/80/87/91/168808791.db2.gz NNARTBDOVBQCKB-UHFFFAOYSA-N 0 0 191.318 3.856 10 0 AHAERN CC(C)c1cccc(-n2cccc2)c1 ZINC000035120965 572123868 /nfs/dbraw/zinc/12/38/68/572123868.db2.gz QPYVLCPEVQSJME-UHFFFAOYSA-N 0 0 185.270 3.601 10 0 AHAERN CCCCC[C@H](O)/C=C\C(C)(C)C ZINC000035237879 571831289 /nfs/dbraw/zinc/83/12/89/571831289.db2.gz YGHBZKOPXCIYSG-JUDLJHIGSA-N 0 0 184.323 3.530 10 0 AHAERN Clc1ccc(-c2ccco2)s1 ZINC000035325319 572156340 /nfs/dbraw/zinc/15/63/40/572156340.db2.gz UQMKBVOUAMCEFY-UHFFFAOYSA-N 0 0 184.647 3.662 10 0 AHAERN C/C(Cl)=C\CNc1ccc(C)cc1 ZINC000035521594 573946128 /nfs/dbraw/zinc/94/61/28/573946128.db2.gz FKEDJXDOKZSCHE-JXMROGBWSA-N 0 0 195.693 3.550 10 0 AHAERN Cc1ccc(C)n1[C@@H]1CCC[C@H](C)C1 ZINC000035651158 168808954 /nfs/dbraw/zinc/80/89/54/168808954.db2.gz ZMKOSFLKSMJKHQ-GXFFZTMASA-N 0 0 191.318 3.856 10 0 AHAERN Cc1ccc(C)n1[C@H]1CCC[C@H](C)C1 ZINC000035651159 343135484 /nfs/dbraw/zinc/13/54/84/343135484.db2.gz ZMKOSFLKSMJKHQ-GWCFXTLKSA-N 0 0 191.318 3.856 10 0 AHAERN Cc1ccc(C)n1[C@@H]1CCC[C@@H](C)C1 ZINC000035651160 343135645 /nfs/dbraw/zinc/13/56/45/343135645.db2.gz ZMKOSFLKSMJKHQ-ZWNOBZJWSA-N 0 0 191.318 3.856 10 0 AHAERN Cc1ccc(C)n1[C@H]1CCC[C@@H](C)C1 ZINC000035651161 168809000 /nfs/dbraw/zinc/80/90/00/168809000.db2.gz ZMKOSFLKSMJKHQ-MFKMUULPSA-N 0 0 191.318 3.856 10 0 AHAERN Cc1ccc(C)n1[C@@H](C)CC(C)C ZINC000035651166 572180586 /nfs/dbraw/zinc/18/05/86/572180586.db2.gz DKHZKZBOUVLMJR-LBPRGKRZSA-N 0 0 179.307 3.712 10 0 AHAERN Cc1ccc(C)n1[C@H](C)CC(C)C ZINC000035651167 572181057 /nfs/dbraw/zinc/18/10/57/572181057.db2.gz DKHZKZBOUVLMJR-GFCCVEGCSA-N 0 0 179.307 3.712 10 0 AHAERN CC(C)=CC[C@]1(C)CCC=C(C)C1=O ZINC000035855005 573118648 /nfs/dbraw/zinc/11/86/48/573118648.db2.gz STTLEAXLPNIELU-ZDUSSCGKSA-N 0 0 192.302 3.658 10 0 AHAERN CC(C)=CC[C@@]1(C)CCC=C(C)C1=O ZINC000035855007 573118585 /nfs/dbraw/zinc/11/85/85/573118585.db2.gz STTLEAXLPNIELU-CYBMUJFWSA-N 0 0 192.302 3.658 10 0 AHAERN CCCC[C@H](O)c1ccc(C)c(C)c1 ZINC000036156773 166930060 /nfs/dbraw/zinc/93/00/60/166930060.db2.gz NXONXKRSNDXDGT-ZDUSSCGKSA-N 0 0 192.302 3.527 10 0 AHAERN CCCC[C@@H](O)c1ccc(C)c(C)c1 ZINC000036156774 166918790 /nfs/dbraw/zinc/91/87/90/166918790.db2.gz NXONXKRSNDXDGT-CYBMUJFWSA-N 0 0 192.302 3.527 10 0 AHAERN CCCC[C@H](O)c1cc(C)ccc1C ZINC000036156778 166928060 /nfs/dbraw/zinc/92/80/60/166928060.db2.gz AEIUSYVOWNXDBZ-ZDUSSCGKSA-N 0 0 192.302 3.527 10 0 AHAERN CCCC[C@@H](O)c1cc(C)ccc1C ZINC000036156780 343140856 /nfs/dbraw/zinc/14/08/56/343140856.db2.gz AEIUSYVOWNXDBZ-CYBMUJFWSA-N 0 0 192.302 3.527 10 0 AHAERN CCCC[C@H](O)c1ccc(C)cc1C ZINC000036156788 166928854 /nfs/dbraw/zinc/92/88/54/166928854.db2.gz AREKFBOXCKJTCN-ZDUSSCGKSA-N 0 0 192.302 3.527 10 0 AHAERN CCCC[C@@H](O)c1ccc(C)cc1C ZINC000036156790 343140837 /nfs/dbraw/zinc/14/08/37/343140837.db2.gz AREKFBOXCKJTCN-CYBMUJFWSA-N 0 0 192.302 3.527 10 0 AHAERN CC[C@@H](C)c1ccc([C@H](O)CC)cc1 ZINC000036156808 572044942 /nfs/dbraw/zinc/04/49/42/572044942.db2.gz FQORFPDMYBXUTE-ZWNOBZJWSA-N 0 0 192.302 3.644 10 0 AHAERN CC[C@@H](O)c1ccc([C@@H](C)CC)cc1 ZINC000036156810 167634543 /nfs/dbraw/zinc/63/45/43/167634543.db2.gz FQORFPDMYBXUTE-GXFFZTMASA-N 0 0 192.302 3.644 10 0 AHAERN CC[C@@H](C)c1ccc([C@@H](O)CC)cc1 ZINC000036156812 572044224 /nfs/dbraw/zinc/04/42/24/572044224.db2.gz FQORFPDMYBXUTE-MFKMUULPSA-N 0 0 192.302 3.644 10 0 AHAERN CC[C@H](C)c1ccc([C@@H](O)CC)cc1 ZINC000036156814 572044104 /nfs/dbraw/zinc/04/41/04/572044104.db2.gz FQORFPDMYBXUTE-GWCFXTLKSA-N 0 0 192.302 3.644 10 0 AHAERN CCCC[C@H](O)c1ccc(Cl)cc1 ZINC000036157211 166929769 /nfs/dbraw/zinc/92/97/69/166929769.db2.gz OTKVXQZAKPBMRO-NSHDSACASA-N 0 0 198.693 3.564 10 0 AHAERN CCCCC(=O)c1ccccc1Cl ZINC000036179729 166846082 /nfs/dbraw/zinc/84/60/82/166846082.db2.gz PGYGWMZFVGJTLI-UHFFFAOYSA-N 0 0 196.677 3.713 10 0 AHAERN CCCCC(=O)c1cccc(Cl)c1 ZINC000036179733 166844261 /nfs/dbraw/zinc/84/42/61/166844261.db2.gz SRUBVCJGKTWMOH-UHFFFAOYSA-N 0 0 196.677 3.713 10 0 AHAERN CCCC(=O)c1cc(C)ccc1Cl ZINC000036180043 166834745 /nfs/dbraw/zinc/83/47/45/166834745.db2.gz SGVDLTQZBNINGI-UHFFFAOYSA-N 0 0 196.677 3.631 10 0 AHAERN CCC(=O)c1ccc(C)c2ccccc12 ZINC000036182885 343141729 /nfs/dbraw/zinc/14/17/29/343141729.db2.gz PDWQIFXOCXPJDW-UHFFFAOYSA-N 0 0 198.265 3.741 10 0 AHAERN CCC(=O)c1c(C)ccc2ccccc21 ZINC000036197218 343141792 /nfs/dbraw/zinc/14/17/92/343141792.db2.gz FOEKZFFYUITABR-UHFFFAOYSA-N 0 0 198.265 3.741 10 0 AHAERN FC(F)(F)SC1CCCCC1 ZINC000036404532 573956831 /nfs/dbraw/zinc/95/68/31/573956831.db2.gz AEFHBFIZLVTILS-UHFFFAOYSA-N 0 0 184.226 3.572 10 0 AHAERN CC(C)Oc1cccc2ccccc21 ZINC000036404571 166563590 /nfs/dbraw/zinc/56/35/90/166563590.db2.gz KFSRMUHHVMJRLZ-UHFFFAOYSA-N 0 0 186.254 3.627 10 0 AHAERN CC(C)=C(C)Cc1cc(C)ccc1O ZINC000036420280 572209331 /nfs/dbraw/zinc/20/93/31/572209331.db2.gz OZGBWTQDHPAHHS-UHFFFAOYSA-N 0 0 190.286 3.599 10 0 AHAERN C=CO[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000036437040 573024555 /nfs/dbraw/zinc/02/45/55/573024555.db2.gz RKOTUDRTYHLRPU-WDEREUQCSA-N 0 0 182.307 3.751 10 0 AHAERN Cc1sc2ccccc2c1Cl ZINC000036438247 572208822 /nfs/dbraw/zinc/20/88/22/572208822.db2.gz WZSQNMZHCUHQMO-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN CC(C)=CC[C@@H]1C(=O)CCCC1(C)C ZINC000036438488 572209766 /nfs/dbraw/zinc/20/97/66/572209766.db2.gz IISMJRKJKIVZLL-LLVKDONJSA-N 0 0 194.318 3.738 10 0 AHAERN CC(C)=CC[C@H]1C(=O)CCCC1(C)C ZINC000036438489 573194452 /nfs/dbraw/zinc/19/44/52/573194452.db2.gz IISMJRKJKIVZLL-NSHDSACASA-N 0 0 194.318 3.738 10 0 AHAERN O[C@@H]1/C=C/CCCCCCCCCC1 ZINC000036438530 572209349 /nfs/dbraw/zinc/20/93/49/572209349.db2.gz QPFZUISGBBUKRA-YGNAEDSMSA-N 0 0 196.334 3.818 10 0 AHAERN c1cc(-c2c[nH]c3ccccc32)cs1 ZINC000036448582 572211979 /nfs/dbraw/zinc/21/19/79/572211979.db2.gz CTKKHASJPCADAK-UHFFFAOYSA-N 0 0 199.278 3.896 10 0 AHAERN Cc1ccc(C)c2c3c([nH]c21)CCCC3 ZINC000036448585 572058955 /nfs/dbraw/zinc/05/89/55/572058955.db2.gz BYMKVKXLPSDDSN-UHFFFAOYSA-N 0 0 199.297 3.664 10 0 AHAERN Cc1oc2ccccc2c1C(C)C ZINC000036458937 169009724 /nfs/dbraw/zinc/00/97/24/169009724.db2.gz QDVBMICXXRKLGB-UHFFFAOYSA-N 0 0 174.243 3.865 10 0 AHAERN CC(C)=Cc1cc2cc(O)ccc2o1 ZINC000036466762 572214338 /nfs/dbraw/zinc/21/43/38/572214338.db2.gz KMSNMXKAQUZKLS-UHFFFAOYSA-N 0 0 188.226 3.562 10 0 AHAERN CC[C@@H](C)CC[C@H](O)c1ccccc1 ZINC000036466854 572058456 /nfs/dbraw/zinc/05/84/56/572058456.db2.gz RFNWDQBMIOBMGJ-YPMHNXCESA-N 0 0 192.302 3.546 10 0 AHAERN CC[C@H](C)CC[C@H](O)c1ccccc1 ZINC000036466855 572060215 /nfs/dbraw/zinc/06/02/15/572060215.db2.gz RFNWDQBMIOBMGJ-AAEUAGOBSA-N 0 0 192.302 3.546 10 0 AHAERN CC[C@@H](C)CC[C@@H](O)c1ccccc1 ZINC000036466856 572059384 /nfs/dbraw/zinc/05/93/84/572059384.db2.gz RFNWDQBMIOBMGJ-DGCLKSJQSA-N 0 0 192.302 3.546 10 0 AHAERN CC[C@H](C)CC[C@@H](O)c1ccccc1 ZINC000036466857 572058566 /nfs/dbraw/zinc/05/85/66/572058566.db2.gz RFNWDQBMIOBMGJ-WCQYABFASA-N 0 0 192.302 3.546 10 0 AHAERN CC(C)=CCCC(=O)c1ccccc1 ZINC000036683705 572061132 /nfs/dbraw/zinc/06/11/32/572061132.db2.gz JUHJGVCZNYKLEZ-UHFFFAOYSA-N 0 0 188.270 3.616 10 0 AHAERN CC(C)(C)C(=O)CCC1CCCCC1 ZINC000036683725 572062473 /nfs/dbraw/zinc/06/24/73/572062473.db2.gz ZCJINYWKQCEXCT-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@@H](C)C(=O)c1cc(C)ccc1C ZINC000036939974 351460852 /nfs/dbraw/zinc/46/08/52/351460852.db2.gz GVFBGFQGWUVELR-SNVBAGLBSA-N 0 0 190.286 3.532 10 0 AHAERN CC[C@H](C)C(=O)c1cc(C)ccc1C ZINC000036939976 343155386 /nfs/dbraw/zinc/15/53/86/343155386.db2.gz GVFBGFQGWUVELR-JTQLQIEISA-N 0 0 190.286 3.532 10 0 AHAERN CC[C@@H](C)C(=O)c1ccc(C)cc1C ZINC000036941005 351461159 /nfs/dbraw/zinc/46/11/59/351461159.db2.gz UQBHHUGHJWVMTJ-SNVBAGLBSA-N 0 0 190.286 3.532 10 0 AHAERN CC[C@H](C)C(=O)c1ccc(C)cc1C ZINC000036941007 343155402 /nfs/dbraw/zinc/15/54/02/343155402.db2.gz UQBHHUGHJWVMTJ-JTQLQIEISA-N 0 0 190.286 3.532 10 0 AHAERN CCC[C@@H](C)C(=O)c1ccc(C)s1 ZINC000036942590 343155620 /nfs/dbraw/zinc/15/56/20/343155620.db2.gz DWPVLTVBILHJOJ-MRVPVSSYSA-N 0 0 196.315 3.675 10 0 AHAERN CCC[C@H](C)C(=O)c1ccc(C)s1 ZINC000036942592 343155521 /nfs/dbraw/zinc/15/55/21/343155521.db2.gz DWPVLTVBILHJOJ-QMMMGPOBSA-N 0 0 196.315 3.675 10 0 AHAERN Cc1ccc(C(=O)CC(C)(C)C)s1 ZINC000036942602 168798014 /nfs/dbraw/zinc/79/80/14/168798014.db2.gz JGAIGOCNKZXXSV-UHFFFAOYSA-N 0 0 196.315 3.675 10 0 AHAERN CCC[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000036942766 343155437 /nfs/dbraw/zinc/15/54/37/343155437.db2.gz KVUGXOHOOCJFEW-LLVKDONJSA-N 0 0 190.286 3.614 10 0 AHAERN CCC[C@H](C)C(=O)c1ccc(C)cc1 ZINC000036942768 343155495 /nfs/dbraw/zinc/15/54/95/343155495.db2.gz KVUGXOHOOCJFEW-NSHDSACASA-N 0 0 190.286 3.614 10 0 AHAERN Cc1ccc(C(=O)CCC(C)C)cc1 ZINC000036942770 343155463 /nfs/dbraw/zinc/15/54/63/343155463.db2.gz PPEFLCWGGLBAGA-UHFFFAOYSA-N 0 0 190.286 3.614 10 0 AHAERN CCCCC(=O)c1ccc(CC)s1 ZINC000036942926 166845085 /nfs/dbraw/zinc/84/50/85/166845085.db2.gz XCTNLOMDYKBNLF-UHFFFAOYSA-N 0 0 196.315 3.683 10 0 AHAERN Cc1cc(C(=O)CC(C)C)c(C)s1 ZINC000036944043 572230032 /nfs/dbraw/zinc/23/00/32/572230032.db2.gz JCLZFUXCUNBGTN-UHFFFAOYSA-N 0 0 196.315 3.594 10 0 AHAERN CC[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000036944812 167451774 /nfs/dbraw/zinc/45/17/74/167451774.db2.gz MPENHBHRIGOJAS-SECBINFHSA-N 0 0 190.286 3.532 10 0 AHAERN CC[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000036944814 343155798 /nfs/dbraw/zinc/15/57/98/343155798.db2.gz MPENHBHRIGOJAS-VIFPVBQESA-N 0 0 190.286 3.532 10 0 AHAERN CC[C@@H](C)Nc1ccccc1SC ZINC000036957362 351462537 /nfs/dbraw/zinc/46/25/37/351462537.db2.gz VGLFLTLLMWOHAL-SECBINFHSA-N 0 0 195.331 3.619 10 0 AHAERN CC[C@H](C)Nc1ccccc1SC ZINC000036957363 167620768 /nfs/dbraw/zinc/62/07/68/167620768.db2.gz VGLFLTLLMWOHAL-VIFPVBQESA-N 0 0 195.331 3.619 10 0 AHAERN CCCc1ccccc1NCC(C)C ZINC000036974320 572079145 /nfs/dbraw/zinc/07/91/45/572079145.db2.gz QJMWOPQYODGJLF-UHFFFAOYSA-N 0 0 191.318 3.707 10 0 AHAERN CCCc1ccccc1N[C@@H](C)CC ZINC000036974533 572078691 /nfs/dbraw/zinc/07/86/91/572078691.db2.gz ZBWVSYXOHLRLKX-NSHDSACASA-N 0 0 191.318 3.850 10 0 AHAERN CCCc1ccccc1N[C@H](C)CC ZINC000036974534 572078013 /nfs/dbraw/zinc/07/80/13/572078013.db2.gz ZBWVSYXOHLRLKX-LLVKDONJSA-N 0 0 191.318 3.850 10 0 AHAERN CC(C)Nc1ccc2sccc2c1 ZINC000036976312 343156776 /nfs/dbraw/zinc/15/67/76/343156776.db2.gz MAZSUQNHYBSMMP-UHFFFAOYSA-N 0 0 191.299 3.722 10 0 AHAERN CCCNc1ccc2sccc2c1 ZINC000036976382 167006380 /nfs/dbraw/zinc/00/63/80/167006380.db2.gz SWOLVNORPSNBCM-UHFFFAOYSA-N 0 0 191.299 3.723 10 0 AHAERN Cc1ccccc1N[C@@H](C)C1(C)CC1 ZINC000036984312 171062412 /nfs/dbraw/zinc/06/24/12/171062412.db2.gz RBEDDPWWLFBVBG-NSHDSACASA-N 0 0 189.302 3.596 10 0 AHAERN Cc1ccccc1N[C@H](C)C1(C)CC1 ZINC000036984313 171061999 /nfs/dbraw/zinc/06/19/99/171061999.db2.gz RBEDDPWWLFBVBG-LLVKDONJSA-N 0 0 189.302 3.596 10 0 AHAERN CCCC[C@@H](C)Nc1cccc(C)c1 ZINC000037185351 572106701 /nfs/dbraw/zinc/10/67/01/572106701.db2.gz XENFQOWWTQUAFC-GFCCVEGCSA-N 0 0 191.318 3.986 10 0 AHAERN CCCC[C@H](C)Nc1cccc(C)c1 ZINC000037185352 572106646 /nfs/dbraw/zinc/10/66/46/572106646.db2.gz XENFQOWWTQUAFC-LBPRGKRZSA-N 0 0 191.318 3.986 10 0 AHAERN CCCC[C@H](C)Nc1ccc(F)cc1 ZINC000037210571 572107482 /nfs/dbraw/zinc/10/74/82/572107482.db2.gz MCOYOKNZUXNZTM-JTQLQIEISA-N 0 0 195.281 3.816 10 0 AHAERN CCCC[C@@H](C)Nc1ccccc1F ZINC000037211233 572109483 /nfs/dbraw/zinc/10/94/83/572109483.db2.gz YKQBWGUYMJXOGB-SNVBAGLBSA-N 0 0 195.281 3.816 10 0 AHAERN CCCC[C@H](C)Nc1ccccc1F ZINC000037211234 572109581 /nfs/dbraw/zinc/10/95/81/572109581.db2.gz YKQBWGUYMJXOGB-JTQLQIEISA-N 0 0 195.281 3.816 10 0 AHAERN CCCC[C@@H](C)Nc1ccc(C)cc1 ZINC000037215820 572109908 /nfs/dbraw/zinc/10/99/08/572109908.db2.gz UHZNNRKYCDOHBW-GFCCVEGCSA-N 0 0 191.318 3.986 10 0 AHAERN CCCC[C@H](C)Nc1ccc(C)cc1 ZINC000037215821 572109522 /nfs/dbraw/zinc/10/95/22/572109522.db2.gz UHZNNRKYCDOHBW-LBPRGKRZSA-N 0 0 191.318 3.986 10 0 AHAERN CCCC[C@@H](C)Nc1ccccc1C ZINC000037216370 572107175 /nfs/dbraw/zinc/10/71/75/572107175.db2.gz JAVCHSPNRXREBL-GFCCVEGCSA-N 0 0 191.318 3.986 10 0 AHAERN CCCC[C@H](C)Nc1ccccc1C ZINC000037216371 572107638 /nfs/dbraw/zinc/10/76/38/572107638.db2.gz JAVCHSPNRXREBL-LBPRGKRZSA-N 0 0 191.318 3.986 10 0 AHAERN CCC[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C ZINC000037375393 167096169 /nfs/dbraw/zinc/09/61/69/167096169.db2.gz OCOFHWUZSJRGFL-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C ZINC000037375397 167096006 /nfs/dbraw/zinc/09/60/06/167096006.db2.gz OCOFHWUZSJRGFL-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1CCC[C@](O)(C2CCCCC2)C1 ZINC000037375439 571777566 /nfs/dbraw/zinc/77/75/66/571777566.db2.gz WSIFYUPJGSQTKF-DGCLKSJQSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H]1CCC[C@](O)(C2CCCCC2)C1 ZINC000037375441 571776880 /nfs/dbraw/zinc/77/68/80/571776880.db2.gz WSIFYUPJGSQTKF-WCQYABFASA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@H]1CCC[C@@](O)(C2CCCCC2)C1 ZINC000037375443 571778269 /nfs/dbraw/zinc/77/82/69/571778269.db2.gz WSIFYUPJGSQTKF-YPMHNXCESA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H]1CCC[C@@](O)(C2CCCCC2)C1 ZINC000037375445 571778230 /nfs/dbraw/zinc/77/82/30/571778230.db2.gz WSIFYUPJGSQTKF-AAEUAGOBSA-N 0 0 196.334 3.508 10 0 AHAERN CC1CCC(O)(C2CCCCC2)CC1 ZINC000037375520 571776808 /nfs/dbraw/zinc/77/68/08/571776808.db2.gz NIYLPJHDKXKWAZ-UHFFFAOYSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)C[C@]1(O)C[C@H](C)CC(C)(C)C1 ZINC000037375571 166500800 /nfs/dbraw/zinc/50/08/00/166500800.db2.gz CZTIPRONEQORNN-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@]1(O)C[C@@H](C)CC(C)(C)C1 ZINC000037375573 571777504 /nfs/dbraw/zinc/77/75/04/571777504.db2.gz CZTIPRONEQORNN-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@]1(O)C[C@H](C)CC(C)(C)C1 ZINC000037375575 571777220 /nfs/dbraw/zinc/77/72/20/571777220.db2.gz CZTIPRONEQORNN-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@]1(O)C[C@@H](C)CC(C)(C)C1 ZINC000037375577 571775755 /nfs/dbraw/zinc/77/57/55/571775755.db2.gz CZTIPRONEQORNN-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC(O)(C2CCCC2)CC1 ZINC000037375630 166813224 /nfs/dbraw/zinc/81/32/24/166813224.db2.gz AOIUCORPLKIBAO-UHFFFAOYSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)C1(O)CCC(C(C)(C)C)CC1 ZINC000037375646 351466995 /nfs/dbraw/zinc/46/69/95/351466995.db2.gz UHZGHBDPJPEWIN-UHFFFAOYSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC1(O)CCC(C(C)(C)C)CC1 ZINC000037375651 166839313 /nfs/dbraw/zinc/83/93/13/166839313.db2.gz JHIKOHYXWAIETA-UHFFFAOYSA-N 0 0 198.350 3.754 10 0 AHAERN C[C@]1(O)CCCC[C@@H]1C1CCCCC1 ZINC000037375717 168687896 /nfs/dbraw/zinc/68/78/96/168687896.db2.gz YUFBKEUKFQVKEO-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@]1(O)CCCC[C@@H]1C1CCCCC1 ZINC000037375720 571777938 /nfs/dbraw/zinc/77/79/38/571777938.db2.gz YUFBKEUKFQVKEO-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@]1(O)CCCC[C@H]1C1CCCCC1 ZINC000037375723 571775322 /nfs/dbraw/zinc/77/53/22/571775322.db2.gz YUFBKEUKFQVKEO-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@]1(O)CCCC[C@H]1C1CCCCC1 ZINC000037375725 571777198 /nfs/dbraw/zinc/77/71/98/571777198.db2.gz YUFBKEUKFQVKEO-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@H]1CCCC[C@]1(O)C1CCCCC1 ZINC000037375768 168417870 /nfs/dbraw/zinc/41/78/70/168417870.db2.gz YMUZTLPITFEHJN-DGCLKSJQSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H]1CCCC[C@]1(O)C1CCCCC1 ZINC000037375771 571776620 /nfs/dbraw/zinc/77/66/20/571776620.db2.gz YMUZTLPITFEHJN-WCQYABFASA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@H]1CCCC[C@@]1(O)C1CCCCC1 ZINC000037375774 571777854 /nfs/dbraw/zinc/77/78/54/571777854.db2.gz YMUZTLPITFEHJN-YPMHNXCESA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H]1CCCC[C@@]1(O)C1CCCCC1 ZINC000037375776 168600702 /nfs/dbraw/zinc/60/07/02/168600702.db2.gz YMUZTLPITFEHJN-AAEUAGOBSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)[C@]1(O)CCCC[C@@H]1C(C)(C)C ZINC000037375823 166624459 /nfs/dbraw/zinc/62/44/59/166624459.db2.gz JVGWIWRPLLWSEW-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@]1(O)CCCC[C@@H]1C(C)(C)C ZINC000037375826 571776654 /nfs/dbraw/zinc/77/66/54/571776654.db2.gz JVGWIWRPLLWSEW-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@]1(O)CCCC[C@H]1C(C)(C)C ZINC000037375829 571777149 /nfs/dbraw/zinc/77/71/49/571777149.db2.gz JVGWIWRPLLWSEW-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@]1(O)CCCC[C@H]1C(C)(C)C ZINC000037375832 571777839 /nfs/dbraw/zinc/77/78/39/571777839.db2.gz JVGWIWRPLLWSEW-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@]1(O)CCCC[C@@H]1C(C)(C)C ZINC000037375847 167097000 /nfs/dbraw/zinc/09/70/00/167097000.db2.gz WSSMDLRRLBVGGY-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@]1(O)CCCC[C@@H]1C(C)(C)C ZINC000037375850 167062912 /nfs/dbraw/zinc/06/29/12/167062912.db2.gz WSSMDLRRLBVGGY-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@]1(O)CCCC[C@H]1C(C)(C)C ZINC000037375853 167097081 /nfs/dbraw/zinc/09/70/81/167097081.db2.gz WSSMDLRRLBVGGY-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@]1(O)CCCC[C@H]1C(C)(C)C ZINC000037375857 167061928 /nfs/dbraw/zinc/06/19/28/167061928.db2.gz WSSMDLRRLBVGGY-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN OC1(C2CCCCC2)CCCCCC1 ZINC000037376059 171064021 /nfs/dbraw/zinc/06/40/21/171064021.db2.gz MYUCTFQJYBPSTN-UHFFFAOYSA-N 0 0 196.334 3.652 10 0 AHAERN Cc1cccc(N[C@@H](C)C2(C)CC2)c1 ZINC000037467507 343169632 /nfs/dbraw/zinc/16/96/32/343169632.db2.gz TUAOOQDJADQHEP-NSHDSACASA-N 0 0 189.302 3.596 10 0 AHAERN Cc1cccc(N[C@H](C)C2(C)CC2)c1 ZINC000037467509 168869810 /nfs/dbraw/zinc/86/98/10/168869810.db2.gz TUAOOQDJADQHEP-LLVKDONJSA-N 0 0 189.302 3.596 10 0 AHAERN Cc1ccc(N[C@@H](C)C2(C)CC2)cc1 ZINC000037467992 168827269 /nfs/dbraw/zinc/82/72/69/168827269.db2.gz ZQWKWSZOUFINHQ-NSHDSACASA-N 0 0 189.302 3.596 10 0 AHAERN Cc1ccc(N[C@H](C)C2(C)CC2)cc1 ZINC000037467994 343169589 /nfs/dbraw/zinc/16/95/89/343169589.db2.gz ZQWKWSZOUFINHQ-LLVKDONJSA-N 0 0 189.302 3.596 10 0 AHAERN Cc1cccc(NCCC(C)(C)C)c1 ZINC000037488424 571781914 /nfs/dbraw/zinc/78/19/14/571781914.db2.gz LFCAOYAMKCNZIO-UHFFFAOYSA-N 0 0 191.318 3.843 10 0 AHAERN Cc1ccccc1NCCC(C)(C)C ZINC000037488426 171064874 /nfs/dbraw/zinc/06/48/74/171064874.db2.gz GMJKREDSDIXYJN-UHFFFAOYSA-N 0 0 191.318 3.843 10 0 AHAERN Cc1ccc(NCCC(C)(C)C)cc1 ZINC000037488444 571783297 /nfs/dbraw/zinc/78/32/97/571783297.db2.gz YHABZJRIVBCMAO-UHFFFAOYSA-N 0 0 191.318 3.843 10 0 AHAERN CCCCc1cc2cc(C)ccc2[nH]1 ZINC000037625166 343172518 /nfs/dbraw/zinc/17/25/18/343172518.db2.gz ZVYUPRUBWLWPJF-UHFFFAOYSA-N 0 0 187.286 3.819 10 0 AHAERN CCCCC[C@@H]1CCCCS1 ZINC000037625681 573043252 /nfs/dbraw/zinc/04/32/52/573043252.db2.gz MFQWJPPVAUXXDS-SNVBAGLBSA-N 0 0 172.337 3.852 10 0 AHAERN CCCC[C@@H]1CCS[C@@H](C)C1 ZINC000037625700 573042472 /nfs/dbraw/zinc/04/24/72/573042472.db2.gz BVCOQYPDJSDLSJ-VHSXEESVSA-N 0 0 172.337 3.708 10 0 AHAERN CCCC[C@H]1CCS[C@@H](C)C1 ZINC000037625701 573047872 /nfs/dbraw/zinc/04/78/72/573047872.db2.gz BVCOQYPDJSDLSJ-UWVGGRQHSA-N 0 0 172.337 3.708 10 0 AHAERN Cc1ccc(C)n1CCC1CCCC1 ZINC000037741641 168808817 /nfs/dbraw/zinc/80/88/17/168808817.db2.gz JFHHKAJIRARBKI-UHFFFAOYSA-N 0 0 191.318 3.685 10 0 AHAERN CCc1cccc(C)c1N[C@@H](C)CC ZINC000037763817 571799613 /nfs/dbraw/zinc/79/96/13/571799613.db2.gz QXPOLWZCMOQVGS-NSHDSACASA-N 0 0 191.318 3.768 10 0 AHAERN CCc1cccc(C)c1N[C@H](C)CC ZINC000037763818 571798621 /nfs/dbraw/zinc/79/86/21/571798621.db2.gz QXPOLWZCMOQVGS-LLVKDONJSA-N 0 0 191.318 3.768 10 0 AHAERN CCSc1ccccc1NC(C)C ZINC000037779125 351473963 /nfs/dbraw/zinc/47/39/63/351473963.db2.gz XYXUQDYJYUGHON-UHFFFAOYSA-N 0 0 195.331 3.619 10 0 AHAERN CCCNc1ccccc1SCC ZINC000037779137 573359991 /nfs/dbraw/zinc/35/99/91/573359991.db2.gz MJCOSVSJSFTZHN-UHFFFAOYSA-N 0 0 195.331 3.621 10 0 AHAERN c1ccc(NCCC2CCCC2)cc1 ZINC000037927649 571814260 /nfs/dbraw/zinc/81/42/60/571814260.db2.gz YKZVZQVMVMBNNS-UHFFFAOYSA-N 0 0 189.302 3.679 10 0 AHAERN Cc1ccc(-c2ccc(C)c(N)c2)cc1 ZINC000038068927 571710491 /nfs/dbraw/zinc/71/04/91/571710491.db2.gz KRBUSDMYKXGCNF-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1ccc(-c2ccccc2C)cc1N ZINC000038069002 168792936 /nfs/dbraw/zinc/79/29/36/168792936.db2.gz GZXANRSZJOBABR-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1cccc(-c2ccc(C)c(N)c2)c1 ZINC000038069126 571714917 /nfs/dbraw/zinc/71/49/17/571714917.db2.gz CWVVHZPRDDGBOS-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1ccc(C)c(-c2ccccc2N)c1 ZINC000038069149 571714875 /nfs/dbraw/zinc/71/48/75/571714875.db2.gz LRKDRPOENKTQBX-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1ccc(-c2ccc(N)cc2)c(C)c1 ZINC000038069259 343184151 /nfs/dbraw/zinc/18/41/51/343184151.db2.gz OCHZVCLVANPTCY-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1ccc(-c2cccc(N)c2)c(C)c1 ZINC000038069260 343184157 /nfs/dbraw/zinc/18/41/57/343184157.db2.gz ZRQFKWLBUFUGLA-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN O=C(CC1CCCC1)c1cccs1 ZINC000038137692 169318504 /nfs/dbraw/zinc/31/85/04/169318504.db2.gz ISSJSIPEFNADGV-UHFFFAOYSA-N 0 0 194.299 3.511 10 0 AHAERN CCCC[C@@H](O)C=C=C1CCCCC1 ZINC000038235056 571751245 /nfs/dbraw/zinc/75/12/45/571751245.db2.gz VLNAVRYSZPRLPW-CYBMUJFWSA-N 0 0 194.318 3.583 10 0 AHAERN C=Cc1ccc(OCCCCC)cc1 ZINC000038246905 166223112 /nfs/dbraw/zinc/22/31/12/166223112.db2.gz JLWPGRKEGIKOCV-UHFFFAOYSA-N 0 0 190.286 3.899 10 0 AHAERN C1=CO[C@H](c2cccc3ccccc32)C1 ZINC000038246928 166078382 /nfs/dbraw/zinc/07/83/82/166078382.db2.gz JLUZTZZUAXMSIF-AWEZNQCLSA-N 0 0 196.249 3.815 10 0 AHAERN C1=CO[C@@H](c2cccc3ccccc32)C1 ZINC000038246929 166078680 /nfs/dbraw/zinc/07/86/80/166078680.db2.gz JLUZTZZUAXMSIF-CQSZACIVSA-N 0 0 196.249 3.815 10 0 AHAERN CC[C@H](C)CCCC/C=C/CCCO ZINC000038246943 571751694 /nfs/dbraw/zinc/75/16/94/571751694.db2.gz GTUPGIAZLIQEHC-BPJJOFIESA-N 0 0 198.350 3.922 10 0 AHAERN C[C@H](Nc1ccccc1)C(C)(C)C ZINC000038251352 343186257 /nfs/dbraw/zinc/18/62/57/343186257.db2.gz GEILYAJSGXITRO-JTQLQIEISA-N 0 0 177.291 3.533 10 0 AHAERN C[C@@H](Nc1ccccc1)C(C)(C)C ZINC000038251354 343186184 /nfs/dbraw/zinc/18/61/84/343186184.db2.gz GEILYAJSGXITRO-SNVBAGLBSA-N 0 0 177.291 3.533 10 0 AHAERN C/C=C(/[C@H](O)C(C)C)C1CCCCC1 ZINC000038251744 571840359 /nfs/dbraw/zinc/84/03/59/571840359.db2.gz MMAZNGHRZSNBFF-YKAQBRKTSA-N 0 0 196.334 3.530 10 0 AHAERN c1csc(-c2c[nH]c3ccccc32)c1 ZINC000038251795 351480157 /nfs/dbraw/zinc/48/01/57/351480157.db2.gz FNBOXQYFMYXVDU-UHFFFAOYSA-N 0 0 199.278 3.896 10 0 AHAERN c1cc2oc3ccccc3c2s1 ZINC000038265908 571839105 /nfs/dbraw/zinc/83/91/05/571839105.db2.gz ZXVFTTRBWPOSLL-UHFFFAOYSA-N 0 0 174.224 3.648 10 0 AHAERN Fc1ccc(/C=C/c2ccco2)cc1 ZINC000038266363 343186262 /nfs/dbraw/zinc/18/62/62/343186262.db2.gz FHVBMAWEGBALFN-VMPITWQZSA-N 0 0 188.201 3.589 10 0 AHAERN Cc1ccc(/C=C\c2ccccc2C)[nH]1 ZINC000038271550 571749448 /nfs/dbraw/zinc/74/94/48/571749448.db2.gz QQSGMCIEFWKSNE-NTMALXAHSA-N 0 0 197.281 3.802 10 0 AHAERN C/C=C/c1csc2ccccc12 ZINC000038282373 571841327 /nfs/dbraw/zinc/84/13/27/571841327.db2.gz SCELSBAYUWFSIV-GORDUTHDSA-N 0 0 174.268 3.934 10 0 AHAERN CCCCCCNc1ccsc1 ZINC000038282494 171043888 /nfs/dbraw/zinc/04/38/88/171043888.db2.gz LGECCDHQLIAHHD-UHFFFAOYSA-N 0 0 183.320 3.740 10 0 AHAERN CC(C)=CCc1cc(Cl)ccc1O ZINC000038301889 571842779 /nfs/dbraw/zinc/84/27/79/571842779.db2.gz KGQDTRIMYKOPND-UHFFFAOYSA-N 0 0 196.677 3.554 10 0 AHAERN C/C=C/[C@@H](C)c1c[nH]c2ccccc21 ZINC000038312511 571842644 /nfs/dbraw/zinc/84/26/44/571842644.db2.gz UVOYONOYARBHRW-QLCVYAKKSA-N 0 0 185.270 3.848 10 0 AHAERN c1scc2c1Oc1ccccc1O2 ZINC000038312641 169479830 /nfs/dbraw/zinc/47/98/30/169479830.db2.gz LMGSINXRBULTRV-UHFFFAOYSA-N 0 0 190.223 3.646 10 0 AHAERN C[C@@H](CC(C)(C)C)c1ccccc1N ZINC000038325158 571844519 /nfs/dbraw/zinc/84/45/19/571844519.db2.gz RARAGZAUYRLHMY-JTQLQIEISA-N 0 0 191.318 3.809 10 0 AHAERN C[C@H](CC(C)(C)C)c1ccccc1N ZINC000038325159 571843645 /nfs/dbraw/zinc/84/36/45/571843645.db2.gz RARAGZAUYRLHMY-SNVBAGLBSA-N 0 0 191.318 3.809 10 0 AHAERN CCCCC[C@](C)(O)CCCC ZINC000038350404 571753078 /nfs/dbraw/zinc/75/30/78/571753078.db2.gz CVFXZJHGEDHWSQ-LLVKDONJSA-N 0 0 172.312 3.508 10 0 AHAERN CCCCC[C@@](C)(O)CCCC ZINC000038350405 166873690 /nfs/dbraw/zinc/87/36/90/166873690.db2.gz CVFXZJHGEDHWSQ-NSHDSACASA-N 0 0 172.312 3.508 10 0 AHAERN C[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000038350548 571843428 /nfs/dbraw/zinc/84/34/28/571843428.db2.gz SARCNUIGPNZEDI-SECBINFHSA-N 0 0 185.270 3.608 10 0 AHAERN C[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000038350549 571844753 /nfs/dbraw/zinc/84/47/53/571844753.db2.gz SARCNUIGPNZEDI-VIFPVBQESA-N 0 0 185.270 3.608 10 0 AHAERN C=CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000038363344 166212141 /nfs/dbraw/zinc/21/21/41/166212141.db2.gz IZPAEFLHCVEFSX-QJPTWQEYSA-N 0 0 182.307 3.607 10 0 AHAERN C=CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000038363345 571847223 /nfs/dbraw/zinc/84/72/23/571847223.db2.gz IZPAEFLHCVEFSX-GRYCIOLGSA-N 0 0 182.307 3.607 10 0 AHAERN C=CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000038363346 571846902 /nfs/dbraw/zinc/84/69/02/571846902.db2.gz IZPAEFLHCVEFSX-SDDRHHMPSA-N 0 0 182.307 3.607 10 0 AHAERN CC1(C)C=Cc2cc(Cl)ccc2O1 ZINC000038416537 343188320 /nfs/dbraw/zinc/18/83/20/343188320.db2.gz POHWVMUYMAAFBQ-UHFFFAOYSA-N 0 0 194.661 3.524 10 0 AHAERN CC(C)=Cc1cn(C)c2ccccc12 ZINC000038523482 571764815 /nfs/dbraw/zinc/76/48/15/571764815.db2.gz SELZCLUVOXHDQM-UHFFFAOYSA-N 0 0 185.270 3.602 10 0 AHAERN C=C(c1ccsc1)c1ccsc1 ZINC000038523652 343188824 /nfs/dbraw/zinc/18/88/24/343188824.db2.gz DUZNZCWWGXHZKZ-UHFFFAOYSA-N 0 0 192.308 3.871 10 0 AHAERN CCC[C@@H](C)c1cccs1 ZINC000038609821 343189876 /nfs/dbraw/zinc/18/98/76/343189876.db2.gz FVTHCJUTHGXOQO-MRVPVSSYSA-N 0 0 154.278 3.652 10 0 AHAERN CCC[C@H](C)c1cccs1 ZINC000038609822 343189782 /nfs/dbraw/zinc/18/97/82/343189782.db2.gz FVTHCJUTHGXOQO-QMMMGPOBSA-N 0 0 154.278 3.652 10 0 AHAERN CCCCC/C=C\C/C=C\CCCO ZINC000038615429 571764524 /nfs/dbraw/zinc/76/45/24/571764524.db2.gz RJYCGBIUZZJVLQ-HZJYTTRNSA-N 0 0 196.334 3.842 10 0 AHAERN CCC(=O)c1cc(C(C)C)ccc1C ZINC000038635945 571851491 /nfs/dbraw/zinc/85/14/91/571851491.db2.gz ITZRSUKOUHROOX-UHFFFAOYSA-N 0 0 190.286 3.711 10 0 AHAERN c1cnc2c(c1)CCCCCCCC2 ZINC000038642470 171069883 /nfs/dbraw/zinc/06/98/83/171069883.db2.gz BHNLTTSWHMADPU-UHFFFAOYSA-N 0 0 189.302 3.521 10 0 AHAERN COCCC/C=C(\C)C1CCCCC1 ZINC000038645140 168152183 /nfs/dbraw/zinc/15/21/83/168152183.db2.gz CACMRWNQXOHQOE-XYOKQWHBSA-N 0 0 196.334 3.940 10 0 AHAERN COCCC/C=C(/C)C1CCCCC1 ZINC000038645143 168151790 /nfs/dbraw/zinc/15/17/90/168151790.db2.gz CACMRWNQXOHQOE-WQLSENKSSA-N 0 0 196.334 3.940 10 0 AHAERN CC1=C(C)C[C@@H]2COC(C)(C)C[C@H]2C1 ZINC000038646637 571956421 /nfs/dbraw/zinc/95/64/21/571956421.db2.gz RZLXGTKIGFFSMN-VXGBXAGGSA-N 0 0 194.318 3.548 10 0 AHAERN CC1=C(C)C[C@@H]2CC(C)(C)OC[C@@H]2C1 ZINC000038646641 571956328 /nfs/dbraw/zinc/95/63/28/571956328.db2.gz RZLXGTKIGFFSMN-NEPJUHHUSA-N 0 0 194.318 3.548 10 0 AHAERN CC(C)(C)CCOCCC(C)(C)C ZINC000038647365 571853271 /nfs/dbraw/zinc/85/32/71/571853271.db2.gz AYMZQSQRCFSZCR-UHFFFAOYSA-N 0 0 186.339 3.875 10 0 AHAERN CCCCC/C=C/C=C\[C@@H]1CS1 ZINC000038648010 571851654 /nfs/dbraw/zinc/85/16/54/571851654.db2.gz BZDBQPPCPHHOCH-DQVUACNVSA-N 0 0 182.332 3.795 10 0 AHAERN CCCCC[C@@]12CCC[C@@H]1CCO2 ZINC000038648346 571956386 /nfs/dbraw/zinc/95/63/86/571956386.db2.gz MKNDEHITWQEWCT-VXGBXAGGSA-N 0 0 182.307 3.526 10 0 AHAERN CCCCC[C@]12CCC[C@@H]1CCO2 ZINC000038648348 571956845 /nfs/dbraw/zinc/95/68/45/571956845.db2.gz MKNDEHITWQEWCT-NEPJUHHUSA-N 0 0 182.307 3.526 10 0 AHAERN CCCCC[C@@]12CCC[C@H]1CCO2 ZINC000038648350 571956279 /nfs/dbraw/zinc/95/62/79/571956279.db2.gz MKNDEHITWQEWCT-NWDGAFQWSA-N 0 0 182.307 3.526 10 0 AHAERN CCCCC[C@]12CCC[C@H]1CCO2 ZINC000038648352 571956922 /nfs/dbraw/zinc/95/69/22/571956922.db2.gz MKNDEHITWQEWCT-RYUDHWBXSA-N 0 0 182.307 3.526 10 0 AHAERN C[C@@H]1CC[C@@H]2C(C)(C)CC=C[C@]2(C)O1 ZINC000038654923 571956617 /nfs/dbraw/zinc/95/66/17/571956617.db2.gz IVTQSEFLDHBCDZ-WZRBSPASSA-N 0 0 194.318 3.546 10 0 AHAERN C[C@@H]1CC[C@H]2C(C)(C)CC=C[C@]2(C)O1 ZINC000038654929 571852099 /nfs/dbraw/zinc/85/20/99/571852099.db2.gz IVTQSEFLDHBCDZ-MDZLAQPJSA-N 0 0 194.318 3.546 10 0 AHAERN CC1=CCCC[C@@H]1Nc1ccccc1 ZINC000038761343 571855566 /nfs/dbraw/zinc/85/55/66/571855566.db2.gz CYBVSTBXFIVLLR-ZDUSSCGKSA-N 0 0 187.286 3.597 10 0 AHAERN CC1=CCCC[C@H]1Nc1ccccc1 ZINC000038761346 571855006 /nfs/dbraw/zinc/85/50/06/571855006.db2.gz CYBVSTBXFIVLLR-CYBMUJFWSA-N 0 0 187.286 3.597 10 0 AHAERN C=C(c1cccs1)c1cccs1 ZINC000038761598 571855813 /nfs/dbraw/zinc/85/58/13/571855813.db2.gz HWPRFMCKSFTMHQ-UHFFFAOYSA-N 0 0 192.308 3.871 10 0 AHAERN Cc1ccsc1-c1ccccc1 ZINC000038810305 571858674 /nfs/dbraw/zinc/85/86/74/571858674.db2.gz AZDOAUNVEMIXEN-UHFFFAOYSA-N 0 0 174.268 3.724 10 0 AHAERN O=Nc1ccccc1Nc1ccccc1 ZINC000038841783 343191051 /nfs/dbraw/zinc/19/10/51/343191051.db2.gz GNGCALKASVBYMT-UHFFFAOYSA-N 0 0 198.225 3.828 10 0 AHAERN CCCC/C=C/c1ccccc1O ZINC000038844506 343191167 /nfs/dbraw/zinc/19/11/67/343191167.db2.gz SCALTAKHSFCQQY-VMPITWQZSA-N 0 0 176.259 3.596 10 0 AHAERN C/C=C(\CC)c1cc2ccccc2[nH]1 ZINC000038844907 571858665 /nfs/dbraw/zinc/85/86/65/571858665.db2.gz IAXIBKRMKCUAGX-XCVCLJGOSA-N 0 0 185.270 3.981 10 0 AHAERN Cc1cccc(C)c1N[C@@H](C)C(C)C ZINC000038846827 571856237 /nfs/dbraw/zinc/85/62/37/571856237.db2.gz DRAAHMWACJHGER-LBPRGKRZSA-N 0 0 191.318 3.760 10 0 AHAERN Cc1cccc(C)c1N[C@H](C)C(C)C ZINC000038846828 571856718 /nfs/dbraw/zinc/85/67/18/571856718.db2.gz DRAAHMWACJHGER-GFCCVEGCSA-N 0 0 191.318 3.760 10 0 AHAERN COc1ccc2c(c1)oc1ccccc12 ZINC000038856580 343191538 /nfs/dbraw/zinc/19/15/38/343191538.db2.gz ZMYFEQQJOZDPGZ-UHFFFAOYSA-N 0 0 198.221 3.595 10 0 AHAERN CC(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000038862171 166299625 /nfs/dbraw/zinc/29/96/25/166299625.db2.gz JLCUMMFCRYVUJH-SNVBAGLBSA-N 0 0 198.265 3.532 10 0 AHAERN CC(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000038862174 166305147 /nfs/dbraw/zinc/30/51/47/166305147.db2.gz JLCUMMFCRYVUJH-JTQLQIEISA-N 0 0 198.265 3.532 10 0 AHAERN CCCCC[C@H](O)c1ccc(C)cc1 ZINC000038866193 572202392 /nfs/dbraw/zinc/20/23/92/572202392.db2.gz NSDSCHJTABXWIQ-ZDUSSCGKSA-N 0 0 192.302 3.609 10 0 AHAERN CCCCC[C@@H](O)c1ccc(C)cc1 ZINC000038866195 572200766 /nfs/dbraw/zinc/20/07/66/572200766.db2.gz NSDSCHJTABXWIQ-CYBMUJFWSA-N 0 0 192.302 3.609 10 0 AHAERN C=CSc1cccc(SC=C)n1 ZINC000038875805 171070377 /nfs/dbraw/zinc/07/03/77/171070377.db2.gz DDJPPVJOAHENMB-UHFFFAOYSA-N 0 0 195.312 3.553 10 0 AHAERN CC(C)(C)P(C)(=O)C(C)(C)C ZINC000038880001 343191497 /nfs/dbraw/zinc/19/14/97/343191497.db2.gz LUYBVYRTRZWIRD-UHFFFAOYSA-N 0 0 176.240 3.576 10 0 AHAERN CCCC/C=C/c1ccc(C)o1 ZINC000038880938 571860144 /nfs/dbraw/zinc/86/01/44/571860144.db2.gz CHOYUBKBZYJEOG-VOTSOKGWSA-N 0 0 164.248 3.791 10 0 AHAERN CC[C@@H](C)c1nc2ccccc2s1 ZINC000038888340 351484107 /nfs/dbraw/zinc/48/41/07/351484107.db2.gz ZTINYSSZVASPQX-MRVPVSSYSA-N 0 0 191.299 3.810 10 0 AHAERN CC[C@H](C)c1nc2ccccc2s1 ZINC000038888342 343191970 /nfs/dbraw/zinc/19/19/70/343191970.db2.gz ZTINYSSZVASPQX-QMMMGPOBSA-N 0 0 191.299 3.810 10 0 AHAERN CC(C)c1ccc2cc(O)ccc2c1 ZINC000038916498 571862131 /nfs/dbraw/zinc/86/21/31/571862131.db2.gz MDWFMRLBXKFHHI-UHFFFAOYSA-N 0 0 186.254 3.669 10 0 AHAERN CC(C)c1cccc2cccc(O)c21 ZINC000038916501 571863693 /nfs/dbraw/zinc/86/36/93/571863693.db2.gz CPWUDTHMOIBIPK-UHFFFAOYSA-N 0 0 186.254 3.669 10 0 AHAERN CCC1(CC)C=Cc2ccccc2N1 ZINC000038950350 343192392 /nfs/dbraw/zinc/19/23/92/343192392.db2.gz HWJWDOQAKPQQQL-UHFFFAOYSA-N 0 0 187.286 3.684 10 0 AHAERN C=Cc1cccc(NC(C)(C)C)c1 ZINC000038973398 571865454 /nfs/dbraw/zinc/86/54/54/571865454.db2.gz KXQKQHBYGPTVKM-UHFFFAOYSA-N 0 0 175.275 3.540 10 0 AHAERN CC[C@@H]1CCc2c3ccccc3[nH]c21 ZINC000038973656 571866608 /nfs/dbraw/zinc/86/66/08/571866608.db2.gz CLECAZWYBZFTGM-SECBINFHSA-N 0 0 185.270 3.608 10 0 AHAERN CC[C@H]1CCc2c3ccccc3[nH]c21 ZINC000038973657 571864654 /nfs/dbraw/zinc/86/46/54/571864654.db2.gz CLECAZWYBZFTGM-VIFPVBQESA-N 0 0 185.270 3.608 10 0 AHAERN Cc1ccc(N(C)c2ccccc2)cc1 ZINC000038974059 343192589 /nfs/dbraw/zinc/19/25/89/343192589.db2.gz ULSJAOPJTJDYGP-UHFFFAOYSA-N 0 0 197.281 3.763 10 0 AHAERN Cc1c2ccccc2[nH]c1C(C)C ZINC000039017607 571870033 /nfs/dbraw/zinc/87/00/33/571870033.db2.gz PZNIASAJBMTKIH-UHFFFAOYSA-N 0 0 173.259 3.600 10 0 AHAERN CCCc1c(C)[nH]c2c1cccc2C ZINC000039017945 571871259 /nfs/dbraw/zinc/87/12/59/571871259.db2.gz AWTCMJROUYDZRZ-UHFFFAOYSA-N 0 0 187.286 3.737 10 0 AHAERN CC1=C[C@H](c2ccccc2O)CCC1 ZINC000039017996 571872087 /nfs/dbraw/zinc/87/20/87/571872087.db2.gz YBEBYQAIJCIWTE-LLVKDONJSA-N 0 0 188.270 3.606 10 0 AHAERN CC1=C[C@@H](c2ccccc2O)CCC1 ZINC000039017997 571869867 /nfs/dbraw/zinc/86/98/67/571869867.db2.gz YBEBYQAIJCIWTE-NSHDSACASA-N 0 0 188.270 3.606 10 0 AHAERN CSc1cc2cc[nH]c2cc1Cl ZINC000039018293 571871074 /nfs/dbraw/zinc/87/10/74/571871074.db2.gz NQQYNAPVGWDGAH-UHFFFAOYSA-N 0 0 197.690 3.543 10 0 AHAERN C(=C/c1ccccc1)\Cc1ccco1 ZINC000039038870 166044164 /nfs/dbraw/zinc/04/41/64/166044164.db2.gz BXFPXWIUHZBALG-XBXARRHUSA-N 0 0 184.238 3.536 10 0 AHAERN CCCc1ccc(-c2ccccc2)o1 ZINC000039038952 167102959 /nfs/dbraw/zinc/10/29/59/167102959.db2.gz KAHOHUNIGHPDFE-UHFFFAOYSA-N 0 0 186.254 3.899 10 0 AHAERN Clc1ccc(Cl)c2occc21 ZINC000039038973 169023714 /nfs/dbraw/zinc/02/37/14/169023714.db2.gz ZQROAOQEUKHZRF-UHFFFAOYSA-N 0 0 187.025 3.740 10 0 AHAERN CCCCc1ccc2n1C(C)=CCC2 ZINC000039039047 166931690 /nfs/dbraw/zinc/93/16/90/166931690.db2.gz PNVPFEKMIPHZBI-UHFFFAOYSA-N 0 0 189.302 3.638 10 0 AHAERN CCCCn1cc(CC)c(CCC)c1 ZINC000039039170 571705550 /nfs/dbraw/zinc/70/55/50/571705550.db2.gz MROACBZGMJGSPW-UHFFFAOYSA-N 0 0 193.334 3.803 10 0 AHAERN c1ccc2c(c1)C=CC1(CCCCC1)N2 ZINC000039039384 343193359 /nfs/dbraw/zinc/19/33/59/343193359.db2.gz RAZSMEDFNMNQPX-UHFFFAOYSA-N 0 0 199.297 3.828 10 0 AHAERN CSc1ccc2[nH]ccc2c1Cl ZINC000039075208 571880520 /nfs/dbraw/zinc/88/05/20/571880520.db2.gz YRXORUFEMKBBNR-UHFFFAOYSA-N 0 0 197.690 3.543 10 0 AHAERN CC(C)c1cccc2ccc(C=O)c-2c1 ZINC000039075234 351488777 /nfs/dbraw/zinc/48/87/77/351488777.db2.gz ZCZIDHLRDDQIKT-UHFFFAOYSA-N 0 0 198.265 3.727 10 0 AHAERN C/C=C\Oc1ccccc1O/C=C\C ZINC000039090377 571781447 /nfs/dbraw/zinc/78/14/47/571781447.db2.gz UUMSENYAPRFIJD-UIYSNZQUSA-N 0 0 190.242 3.511 10 0 AHAERN CCCOc1ccc(C=C(C)C)cc1 ZINC000039090385 571886729 /nfs/dbraw/zinc/88/67/29/571886729.db2.gz LIODNGOXGRRDIL-UHFFFAOYSA-N 0 0 190.286 3.899 10 0 AHAERN COc1cc(C)c(C=C(C)C)cc1C ZINC000039090406 168228761 /nfs/dbraw/zinc/22/87/61/168228761.db2.gz SDVMESZCNNXQGV-UHFFFAOYSA-N 0 0 190.286 3.735 10 0 AHAERN Cc1cc2cccc(C(C)C)c2[nH]1 ZINC000039104626 571991076 /nfs/dbraw/zinc/99/10/76/571991076.db2.gz UDBYPKMWCRZNJA-UHFFFAOYSA-N 0 0 173.259 3.600 10 0 AHAERN Cc1c[nH]c2c1cccc2C(C)C ZINC000039104656 571991858 /nfs/dbraw/zinc/99/18/58/571991858.db2.gz ZUVBCDVLPGKKTF-UHFFFAOYSA-N 0 0 173.259 3.600 10 0 AHAERN Cc1cccc2cc(C(C)C)[nH]c21 ZINC000039104690 168879962 /nfs/dbraw/zinc/87/99/62/168879962.db2.gz OFGSAWSYDDPEFO-UHFFFAOYSA-N 0 0 173.259 3.600 10 0 AHAERN Cc1ccc2cc(C(C)C)[nH]c2c1 ZINC000039104691 571890974 /nfs/dbraw/zinc/89/09/74/571890974.db2.gz YANFARYDTVNGMM-UHFFFAOYSA-N 0 0 173.259 3.600 10 0 AHAERN Cc1cccc2[nH]c(C(C)C)cc21 ZINC000039104692 168876115 /nfs/dbraw/zinc/87/61/15/168876115.db2.gz VDTZUJHTJYYLOJ-UHFFFAOYSA-N 0 0 173.259 3.600 10 0 AHAERN Cc1ccc2[nH]c(C(C)C)cc2c1 ZINC000039104706 171075106 /nfs/dbraw/zinc/07/51/06/171075106.db2.gz NGSXHQNEQTUVDH-UHFFFAOYSA-N 0 0 173.259 3.600 10 0 AHAERN Cc1cn(C(C)C)c2ccccc12 ZINC000039104720 168896647 /nfs/dbraw/zinc/89/66/47/168896647.db2.gz HCJFUTKOOJKIFR-UHFFFAOYSA-N 0 0 173.259 3.531 10 0 AHAERN Cc1coc2ccc(C(C)C)cc12 ZINC000039104722 168918711 /nfs/dbraw/zinc/91/87/11/168918711.db2.gz LYVWPJUHWBZTAY-UHFFFAOYSA-N 0 0 174.243 3.865 10 0 AHAERN Cc1ccc2oc(C(C)C)cc2c1 ZINC000039104734 343199223 /nfs/dbraw/zinc/19/92/23/343199223.db2.gz ZBDULVFQGCXALE-UHFFFAOYSA-N 0 0 174.243 3.865 10 0 AHAERN Cc1cc2cc(C(C)C)ccc2o1 ZINC000039104748 343199228 /nfs/dbraw/zinc/19/92/28/343199228.db2.gz HDAIAWZEEDJJCO-UHFFFAOYSA-N 0 0 174.243 3.865 10 0 AHAERN Cc1ccc(C(C)C)c2ccoc21 ZINC000039104777 168802313 /nfs/dbraw/zinc/80/23/13/168802313.db2.gz KLHQEMIPNPBHHC-UHFFFAOYSA-N 0 0 174.243 3.865 10 0 AHAERN Cc1ccc(C(C)C)c2occc21 ZINC000039104793 343199215 /nfs/dbraw/zinc/19/92/15/343199215.db2.gz KFSNBWUMCLOSOL-UHFFFAOYSA-N 0 0 174.243 3.865 10 0 AHAERN C/C=C(\C)c1ccc(C(C)C)cn1 ZINC000039104832 166059824 /nfs/dbraw/zinc/05/98/24/166059824.db2.gz UIJGNYLYVNOHGM-BJMVGYQFSA-N 0 0 175.275 3.628 10 0 AHAERN CC(C)c1ccc(/C=C/N=O)cc1 ZINC000039104870 571890450 /nfs/dbraw/zinc/89/04/50/571890450.db2.gz VUOBPTJAEOSIHW-BQYQJAHWSA-N 0 0 175.231 3.547 10 0 AHAERN CCCCCCOC1CCCC1 ZINC000039111845 571782173 /nfs/dbraw/zinc/78/21/73/571782173.db2.gz JZIKUVKAXLVIOZ-UHFFFAOYSA-N 0 0 170.296 3.526 10 0 AHAERN CCCC[C@@H](C)OC1CCCC1 ZINC000039111846 573543772 /nfs/dbraw/zinc/54/37/72/573543772.db2.gz CKQHQAUIQIACBQ-SNVBAGLBSA-N 0 0 170.296 3.524 10 0 AHAERN CCCC[C@H](C)OC1CCCC1 ZINC000039111847 573542428 /nfs/dbraw/zinc/54/24/28/573542428.db2.gz CKQHQAUIQIACBQ-JTQLQIEISA-N 0 0 170.296 3.524 10 0 AHAERN CCSC1(SCC)CCCC1 ZINC000039112068 573544553 /nfs/dbraw/zinc/54/45/53/573544553.db2.gz UPZBGQRDCBSGSQ-UHFFFAOYSA-N 0 0 190.377 3.763 10 0 AHAERN CCCCCCn1cc2c(c1)CCC2 ZINC000039112121 343199584 /nfs/dbraw/zinc/19/95/84/343199584.db2.gz HSZVJXRVEOGJAJ-UHFFFAOYSA-N 0 0 191.318 3.557 10 0 AHAERN CCCCn1ccc2c1CCC2(C)C ZINC000039112188 571892092 /nfs/dbraw/zinc/89/20/92/571892092.db2.gz QANKOHNMHASORC-UHFFFAOYSA-N 0 0 191.318 3.512 10 0 AHAERN C/C=C/C[C@]1(C)CC[C@H](C(C)C)C1=O ZINC000039112364 166063600 /nfs/dbraw/zinc/06/36/00/166063600.db2.gz JLQAPIHTUXUZRB-ZFAUCMQBSA-N 0 0 194.318 3.594 10 0 AHAERN C/C=C/C[C@]1(C)CC[C@@H](C(C)C)C1=O ZINC000039112365 166062580 /nfs/dbraw/zinc/06/25/80/166062580.db2.gz JLQAPIHTUXUZRB-LRLQIDNFSA-N 0 0 194.318 3.594 10 0 AHAERN O=C(CC1CCCC1)C1CCCCC1 ZINC000039112380 169318558 /nfs/dbraw/zinc/31/85/58/169318558.db2.gz FTNWIXVVPGYURX-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CC(C)=CCC[C@]1(C)CCC(=O)[C@H]1C ZINC000039112443 571892401 /nfs/dbraw/zinc/89/24/01/571892401.db2.gz MRJOCOHZRRULHH-DGCLKSJQSA-N 0 0 194.318 3.738 10 0 AHAERN CC(C)=CCC[C@]1(C)CCC(=O)[C@@H]1C ZINC000039112444 571892582 /nfs/dbraw/zinc/89/25/82/571892582.db2.gz MRJOCOHZRRULHH-WCQYABFASA-N 0 0 194.318 3.738 10 0 AHAERN CC(C)=CCC[C@@]1(C)CCC(=O)[C@H]1C ZINC000039112445 571893002 /nfs/dbraw/zinc/89/30/02/571893002.db2.gz MRJOCOHZRRULHH-YPMHNXCESA-N 0 0 194.318 3.738 10 0 AHAERN CC(C)=CCC[C@@]1(C)CCC(=O)[C@@H]1C ZINC000039112446 166415926 /nfs/dbraw/zinc/41/59/26/166415926.db2.gz MRJOCOHZRRULHH-AAEUAGOBSA-N 0 0 194.318 3.738 10 0 AHAERN CCCCC/C=C/[C@@H]1CCC(=O)[C@@H]1C ZINC000039112447 573544996 /nfs/dbraw/zinc/54/49/96/573544996.db2.gz IGYPEUVXYKDQRY-IDDPWSFUSA-N 0 0 194.318 3.738 10 0 AHAERN CCCCC/C=C/[C@@H]1CCC(=O)[C@H]1C ZINC000039112449 573541222 /nfs/dbraw/zinc/54/12/22/573541222.db2.gz IGYPEUVXYKDQRY-ADYIUWEDSA-N 0 0 194.318 3.738 10 0 AHAERN C(\c1ccco1)=C1\CCc2ccccc21 ZINC000039112544 166044051 /nfs/dbraw/zinc/04/40/51/166044051.db2.gz AZXWXNYFIDNNDC-ZRDIBKRKSA-N 0 0 196.249 3.766 10 0 AHAERN CCCCC[C@@H](CC)C1(O)CCCC1 ZINC000039112649 571892689 /nfs/dbraw/zinc/89/26/89/571892689.db2.gz JVRULIDVFKHXII-GFCCVEGCSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@H](CC)C1(O)CCCC1 ZINC000039112650 571893675 /nfs/dbraw/zinc/89/36/75/571893675.db2.gz JVRULIDVFKHXII-LBPRGKRZSA-N 0 0 198.350 3.898 10 0 AHAERN Cc1oc2c(c1-c1ccccc1)CCC2 ZINC000039112662 169009230 /nfs/dbraw/zinc/00/92/30/169009230.db2.gz BQKCAKXVIYAEIG-UHFFFAOYSA-N 0 0 198.265 3.744 10 0 AHAERN CC[C@]1(C)CCc2c3ccccc3[nH]c21 ZINC000039112692 571784466 /nfs/dbraw/zinc/78/44/66/571784466.db2.gz ZPUOKQNBQJOGBX-CQSZACIVSA-N 0 0 199.297 3.782 10 0 AHAERN CC[C@@]1(C)CCc2c3ccccc3[nH]c21 ZINC000039112693 573545940 /nfs/dbraw/zinc/54/59/40/573545940.db2.gz ZPUOKQNBQJOGBX-AWEZNQCLSA-N 0 0 199.297 3.782 10 0 AHAERN CC(C)n1c2ccccc2c2c1CCC2 ZINC000039112704 166651158 /nfs/dbraw/zinc/65/11/58/166651158.db2.gz UNWDHQZFKDAARR-UHFFFAOYSA-N 0 0 199.297 3.711 10 0 AHAERN CC1=C2CCC[C@]2(C)Nc2ccccc21 ZINC000039112705 573543895 /nfs/dbraw/zinc/54/38/95/573543895.db2.gz SJLQFGYYQDZAOT-AWEZNQCLSA-N 0 0 199.297 3.828 10 0 AHAERN CC1=C2CCC[C@@]2(C)Nc2ccccc21 ZINC000039112706 573542721 /nfs/dbraw/zinc/54/27/21/573542721.db2.gz SJLQFGYYQDZAOT-CQSZACIVSA-N 0 0 199.297 3.828 10 0 AHAERN CCCCc1cc2cccc(C)c2[nH]1 ZINC000039117026 571895735 /nfs/dbraw/zinc/89/57/35/571895735.db2.gz LZFVMWXLHFWGNY-UHFFFAOYSA-N 0 0 187.286 3.819 10 0 AHAERN CC(C)(C)CC[C@H](O)c1ccccc1 ZINC000039117566 166350413 /nfs/dbraw/zinc/35/04/13/166350413.db2.gz IFMZYGFNUQYFBP-LBPRGKRZSA-N 0 0 192.302 3.546 10 0 AHAERN CC(C)(C)CC[C@@H](O)c1ccccc1 ZINC000039117568 166352164 /nfs/dbraw/zinc/35/21/64/166352164.db2.gz IFMZYGFNUQYFBP-GFCCVEGCSA-N 0 0 192.302 3.546 10 0 AHAERN CC(C)(C)[C@@H]1Nc2ccccc2S1 ZINC000039118957 166377406 /nfs/dbraw/zinc/37/74/06/166377406.db2.gz BPLXPXUBPORTAD-SNVBAGLBSA-N 0 0 193.315 3.576 10 0 AHAERN CC(C)(C)[C@H]1Nc2ccccc2S1 ZINC000039118959 166381513 /nfs/dbraw/zinc/38/15/13/166381513.db2.gz BPLXPXUBPORTAD-JTQLQIEISA-N 0 0 193.315 3.576 10 0 AHAERN CC(C)(C)c1ccc2cc(N)ccc2c1 ZINC000039119028 571940832 /nfs/dbraw/zinc/94/08/32/571940832.db2.gz CKGCNAUSTUEXQF-UHFFFAOYSA-N 0 0 199.297 3.720 10 0 AHAERN Cc1cc(C)c(-c2ccccc2)c(O)c1 ZINC000039119070 343202246 /nfs/dbraw/zinc/20/22/46/343202246.db2.gz GHQKKXMTRJXSQY-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN Cc1cc(C)c(O)c(-c2ccccc2)c1 ZINC000039119198 343202220 /nfs/dbraw/zinc/20/22/20/343202220.db2.gz ZIXTUODBTCADKZ-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN CCOc1ccc2ccc(C)cc2c1 ZINC000039119988 167421888 /nfs/dbraw/zinc/42/18/88/167421888.db2.gz KSQURRKEYQVXHW-UHFFFAOYSA-N 0 0 186.254 3.547 10 0 AHAERN CC(C)c1cc2ccccc2o1 ZINC000039136421 343204414 /nfs/dbraw/zinc/20/44/14/343204414.db2.gz WZBZLXHSUKNNEF-UHFFFAOYSA-N 0 0 160.216 3.556 10 0 AHAERN CCCc1noc(CCC)c1CCC ZINC000039139648 571942678 /nfs/dbraw/zinc/94/26/78/571942678.db2.gz CAWDJPGMYPSRKW-UHFFFAOYSA-N 0 0 195.306 3.532 10 0 AHAERN CC1=C[C@H](c2ccc(O)cc2)CCC1 ZINC000039148234 571906325 /nfs/dbraw/zinc/90/63/25/571906325.db2.gz AAGUYOHSXMPJNQ-GFCCVEGCSA-N 0 0 188.270 3.606 10 0 AHAERN CC1=C[C@@H](c2ccc(O)cc2)CCC1 ZINC000039148235 571906407 /nfs/dbraw/zinc/90/64/07/571906407.db2.gz AAGUYOHSXMPJNQ-LBPRGKRZSA-N 0 0 188.270 3.606 10 0 AHAERN CCCC[C@H](C)C(=O)c1ccccc1 ZINC000039148307 571948310 /nfs/dbraw/zinc/94/83/10/571948310.db2.gz PCCLEOLQLOSQKA-NSHDSACASA-N 0 0 190.286 3.696 10 0 AHAERN C/C=C/CNc1ccc(C)cc1Cl ZINC000039148476 343204813 /nfs/dbraw/zinc/20/48/13/343204813.db2.gz WABMXDZKQMNFHI-ONEGZZNKSA-N 0 0 195.693 3.636 10 0 AHAERN CCCc1cc2cc[nH]c2cc1Cl ZINC000039168906 571906086 /nfs/dbraw/zinc/90/60/86/571906086.db2.gz RJKQAKJJPKUHLY-UHFFFAOYSA-N 0 0 193.677 3.774 10 0 AHAERN CC(C)c1cc(F)cc(C(C)C)c1O ZINC000039185602 571907122 /nfs/dbraw/zinc/90/71/22/571907122.db2.gz BAHYFNRLSGHTRP-UHFFFAOYSA-N 0 0 196.265 3.778 10 0 AHAERN Oc1ccc(C2CCCC2)cc1Cl ZINC000039189046 171076649 /nfs/dbraw/zinc/07/66/49/171076649.db2.gz JJCOYQMDJKSGEP-UHFFFAOYSA-N 0 0 196.677 3.703 10 0 AHAERN CC[C@@H](C)c1ccc(O)c(Cl)c1 ZINC000039189047 343205613 /nfs/dbraw/zinc/20/56/13/343205613.db2.gz MZIOUEUCXGSVJO-SSDOTTSWSA-N 0 0 184.666 3.559 10 0 AHAERN CC[C@H](C)c1ccc(O)c(Cl)c1 ZINC000039189048 343205532 /nfs/dbraw/zinc/20/55/32/343205532.db2.gz MZIOUEUCXGSVJO-ZETCQYMHSA-N 0 0 184.666 3.559 10 0 AHAERN CC[C@@H](C)c1cc(Cl)ccc1O ZINC000039189049 351496823 /nfs/dbraw/zinc/49/68/23/351496823.db2.gz NZFZPMDWZIGOTH-SSDOTTSWSA-N 0 0 184.666 3.559 10 0 AHAERN CC[C@H](C)c1cc(Cl)ccc1O ZINC000039189050 343205374 /nfs/dbraw/zinc/20/53/74/343205374.db2.gz NZFZPMDWZIGOTH-ZETCQYMHSA-N 0 0 184.666 3.559 10 0 AHAERN CCC[C@@H](C)c1cc(Cl)ccc1O ZINC000039189051 571906998 /nfs/dbraw/zinc/90/69/98/571906998.db2.gz LGIGBKMDIHECCC-MRVPVSSYSA-N 0 0 198.693 3.949 10 0 AHAERN CCC[C@H](C)c1cc(Cl)ccc1O ZINC000039189052 571908494 /nfs/dbraw/zinc/90/84/94/571908494.db2.gz LGIGBKMDIHECCC-QMMMGPOBSA-N 0 0 198.693 3.949 10 0 AHAERN CCC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000039189054 571787853 /nfs/dbraw/zinc/78/78/53/571787853.db2.gz YCWPEBFCIHGAMW-SECBINFHSA-N 0 0 198.693 3.907 10 0 AHAERN Oc1ccc(CCC2CCCC2)cc1 ZINC000039189076 571906939 /nfs/dbraw/zinc/90/69/39/571906939.db2.gz GOTJFXQDZFKEQZ-UHFFFAOYSA-N 0 0 190.286 3.515 10 0 AHAERN Cc1cc2cccc(Cl)c2s1 ZINC000039191717 343205600 /nfs/dbraw/zinc/20/56/00/343205600.db2.gz DLHWPEOOGIAMIK-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN CC[C@@H](C)Cc1c[nH]c2ccccc12 ZINC000039192241 571906797 /nfs/dbraw/zinc/90/67/97/571906797.db2.gz LWKYZEFHDCGBEF-SNVBAGLBSA-N 0 0 187.286 3.757 10 0 AHAERN CC[C@H](C)Cc1c[nH]c2ccccc12 ZINC000039192242 571907088 /nfs/dbraw/zinc/90/70/88/571907088.db2.gz LWKYZEFHDCGBEF-JTQLQIEISA-N 0 0 187.286 3.757 10 0 AHAERN CCCC(=O)C[C@@H](C)c1ccccc1 ZINC000039193068 343205458 /nfs/dbraw/zinc/20/54/58/343205458.db2.gz IELBRBODAOZKDF-LLVKDONJSA-N 0 0 190.286 3.549 10 0 AHAERN CCCC(=O)C[C@H](C)c1ccccc1 ZINC000039193069 343205422 /nfs/dbraw/zinc/20/54/22/343205422.db2.gz IELBRBODAOZKDF-NSHDSACASA-N 0 0 190.286 3.549 10 0 AHAERN CC(C)(C)Cc1cc2ccccc2[nH]1 ZINC000039199582 571907336 /nfs/dbraw/zinc/90/73/36/571907336.db2.gz ZWMVEAREPYHEBX-UHFFFAOYSA-N 0 0 187.286 3.757 10 0 AHAERN CC[C@@H](C)n1ccc2ccccc21 ZINC000039200680 343205800 /nfs/dbraw/zinc/20/58/00/343205800.db2.gz REFAGUAQASDZDK-SNVBAGLBSA-N 0 0 173.259 3.612 10 0 AHAERN Clc1cnc2ccccc2c1Cl ZINC000039203083 169026936 /nfs/dbraw/zinc/02/69/36/169026936.db2.gz MEZWVUXDITWYIT-UHFFFAOYSA-N 0 0 198.052 3.542 10 0 AHAERN CC(C)c1cccc2ccc(O)cc21 ZINC000039204119 571909917 /nfs/dbraw/zinc/90/99/17/571909917.db2.gz HALUFMAHPNDSTF-UHFFFAOYSA-N 0 0 186.254 3.669 10 0 AHAERN CC(C)c1cc2ccccc2cc1O ZINC000039204120 343206053 /nfs/dbraw/zinc/20/60/53/343206053.db2.gz CQUUKGPBMDUWMP-UHFFFAOYSA-N 0 0 186.254 3.669 10 0 AHAERN CC(C)(C)[C@H]1CC(C)(C)C(C)(C)O1 ZINC000039206171 166379370 /nfs/dbraw/zinc/37/93/70/166379370.db2.gz BWKGCKTWSKBTBU-SECBINFHSA-N 0 0 184.323 3.626 10 0 AHAERN CC(C)(C)[C@@H]1CC(C)(C)C(C)(C)O1 ZINC000039206172 166375886 /nfs/dbraw/zinc/37/58/86/166375886.db2.gz BWKGCKTWSKBTBU-VIFPVBQESA-N 0 0 184.323 3.626 10 0 AHAERN CC(C)c1c(O)ccc2ccccc21 ZINC000039207149 571908826 /nfs/dbraw/zinc/90/88/26/571908826.db2.gz CMIDJZRXBSHKDE-UHFFFAOYSA-N 0 0 186.254 3.669 10 0 AHAERN CCCCCc1ccc(O)c(Cl)c1 ZINC000039213466 571791208 /nfs/dbraw/zinc/79/12/08/571791208.db2.gz YIOZINQTBPLJDE-UHFFFAOYSA-N 0 0 198.693 3.778 10 0 AHAERN COc1cccc(SC(C)(C)C)c1 ZINC000039218698 343206789 /nfs/dbraw/zinc/20/67/89/343206789.db2.gz XPYQZSWLUOZVJZ-UHFFFAOYSA-N 0 0 196.315 3.586 10 0 AHAERN CC(C)(C)Sc1ccc(F)cc1 ZINC000039218699 571912394 /nfs/dbraw/zinc/91/23/94/571912394.db2.gz XIYWQFHKNOWKHJ-UHFFFAOYSA-N 0 0 184.279 3.716 10 0 AHAERN c1csc(C2CCCCC2)c1 ZINC000039219017 171077629 /nfs/dbraw/zinc/07/76/29/171077629.db2.gz SEEWBDKUFPWFKE-UHFFFAOYSA-N 0 0 166.289 3.796 10 0 AHAERN CCCCC(=S)Nc1ccccc1 ZINC000039219772 571912956 /nfs/dbraw/zinc/91/29/56/571912956.db2.gz YDTIZKIDQKLESW-UHFFFAOYSA-N 0 0 193.315 3.616 10 0 AHAERN CC(C)c1nc2cc(Cl)ccc2o1 ZINC000039222227 166642321 /nfs/dbraw/zinc/64/23/21/166642321.db2.gz DLXKYWRYVRPLFG-UHFFFAOYSA-N 0 0 195.649 3.605 10 0 AHAERN CC(C)Cc1cc2ccccc2o1 ZINC000039233019 571999175 /nfs/dbraw/zinc/99/91/75/571999175.db2.gz RSWLVRNRQZHPMY-UHFFFAOYSA-N 0 0 174.243 3.631 10 0 AHAERN C=Cc1csc2ccccc12 ZINC000039236630 166224627 /nfs/dbraw/zinc/22/46/27/166224627.db2.gz SWCGJRRMSDMOFZ-UHFFFAOYSA-N 0 0 160.241 3.544 10 0 AHAERN CCCCCCC1(O)CCCCC1 ZINC000039237287 571793156 /nfs/dbraw/zinc/79/31/56/571793156.db2.gz FHCVFYFOWIAQDU-UHFFFAOYSA-N 0 0 184.323 3.652 10 0 AHAERN C=COc1ccc(C(C)(C)C)cc1 ZINC000039238813 166211813 /nfs/dbraw/zinc/21/18/13/166211813.db2.gz BFVTULXNNTYOAV-UHFFFAOYSA-N 0 0 176.259 3.506 10 0 AHAERN CCCCc1cccc2[nH]ccc21 ZINC000039240536 571915255 /nfs/dbraw/zinc/91/52/55/571915255.db2.gz CUAQKWNKLKYIKN-UHFFFAOYSA-N 0 0 173.259 3.511 10 0 AHAERN c1c2ccccc2cn1-c1ccccc1 ZINC000039241206 571998519 /nfs/dbraw/zinc/99/85/19/571998519.db2.gz AXIBRYDJCDIVBD-UHFFFAOYSA-N 0 0 193.249 3.631 10 0 AHAERN Cl/C=C/Sc1cccs1 ZINC000039244159 571914479 /nfs/dbraw/zinc/91/44/79/571914479.db2.gz MPEGGJWXSVJQSN-HWKANZROSA-N 0 0 176.693 3.550 10 0 AHAERN C=Cc1ccc(C(=O)CCCC)cc1 ZINC000039244565 343207913 /nfs/dbraw/zinc/20/79/13/343207913.db2.gz AGISRJJKAKHSQL-UHFFFAOYSA-N 0 0 188.270 3.703 10 0 AHAERN CCC(=O)c1ccc(C(C)(C)C)s1 ZINC000039247266 571914908 /nfs/dbraw/zinc/91/49/08/571914908.db2.gz NBZHBXWWWRJUNS-UHFFFAOYSA-N 0 0 196.315 3.638 10 0 AHAERN Cc1ccc(OC2CCCCC2)cc1 ZINC000039249151 571914297 /nfs/dbraw/zinc/91/42/97/571914297.db2.gz CTMYJGJOVBCXKQ-UHFFFAOYSA-N 0 0 190.286 3.707 10 0 AHAERN Cc1ccc(O)cc1C1CCCCC1 ZINC000039249152 571915154 /nfs/dbraw/zinc/91/51/54/571915154.db2.gz OTJXDIJRKYRGMJ-UHFFFAOYSA-N 0 0 190.286 3.748 10 0 AHAERN C=CSc1ccc(Cl)cc1 ZINC000039249434 171217664 /nfs/dbraw/zinc/21/76/64/171217664.db2.gz NRBOLYMXWRDLMX-UHFFFAOYSA-N 0 0 170.664 3.576 10 0 AHAERN C=Cc1cc2ccccc2nc1Cl ZINC000039251018 166223469 /nfs/dbraw/zinc/22/34/69/166223469.db2.gz QRXLPDVUCDQDPQ-UHFFFAOYSA-N 0 0 189.645 3.531 10 0 AHAERN CCCCCc1ccc(C(C)=O)s1 ZINC000039258529 343208865 /nfs/dbraw/zinc/20/88/65/343208865.db2.gz VCNZICGOGCVOCN-UHFFFAOYSA-N 0 0 196.315 3.683 10 0 AHAERN CC(=O)c1ccc2cc(C)c(C)cc2c1 ZINC000039269925 343209404 /nfs/dbraw/zinc/20/94/04/343209404.db2.gz WLENSLOBPANQBC-UHFFFAOYSA-N 0 0 198.265 3.659 10 0 AHAERN Cc1cc2ccsc2cc1C ZINC000039270344 571918801 /nfs/dbraw/zinc/91/88/01/571918801.db2.gz TXHDHLBKYSAWME-UHFFFAOYSA-N 0 0 162.257 3.518 10 0 AHAERN c1cc2c(s1)C=Cc1ccccc1N2 ZINC000039270419 571920388 /nfs/dbraw/zinc/92/03/88/571920388.db2.gz YVEXKCVGQCMXBV-UHFFFAOYSA-N 0 0 199.278 3.976 10 0 AHAERN Cc1ccc(Sc2ccccc2)o1 ZINC000039274935 168833581 /nfs/dbraw/zinc/83/35/81/168833581.db2.gz IQXXLSQCXVMNSK-UHFFFAOYSA-N 0 0 190.267 3.739 10 0 AHAERN CC1(C)C=Cc2cccc(Cl)c2O1 ZINC000039275709 343209329 /nfs/dbraw/zinc/20/93/29/343209329.db2.gz TVHBCCWMODXGPL-UHFFFAOYSA-N 0 0 194.661 3.524 10 0 AHAERN C[C@@H]1C[C@H](C)Cc2[nH]c3ccccc3c21 ZINC000039275735 571920315 /nfs/dbraw/zinc/92/03/15/571920315.db2.gz IJNFDHZVXLLUET-VHSXEESVSA-N 0 0 199.297 3.854 10 0 AHAERN C[C@H]1Cc2[nH]c3ccccc3c2[C@H](C)C1 ZINC000039275737 571795627 /nfs/dbraw/zinc/79/56/27/571795627.db2.gz IJNFDHZVXLLUET-NXEZZACHSA-N 0 0 199.297 3.854 10 0 AHAERN C[C@@H]1Cc2[nH]c3ccccc3c2[C@@H](C)C1 ZINC000039275739 168480770 /nfs/dbraw/zinc/48/07/70/168480770.db2.gz IJNFDHZVXLLUET-UWVGGRQHSA-N 0 0 199.297 3.854 10 0 AHAERN C[C@H]1Cc2[nH]c3ccccc3c2[C@@H](C)C1 ZINC000039275741 571794878 /nfs/dbraw/zinc/79/48/78/571794878.db2.gz IJNFDHZVXLLUET-ZJUUUORDSA-N 0 0 199.297 3.854 10 0 AHAERN Cc1cc2[nH]c3c(c2cc1C)CCCC3 ZINC000039275794 343209423 /nfs/dbraw/zinc/20/94/23/343209423.db2.gz BTZQLXGIQYFPIM-UHFFFAOYSA-N 0 0 199.297 3.664 10 0 AHAERN CCCCCc1occ(C)c1C ZINC000039277782 572187713 /nfs/dbraw/zinc/18/77/13/572187713.db2.gz YZDOLIFUHOBZGC-UHFFFAOYSA-N 0 0 166.264 3.629 10 0 AHAERN CCCCCC(=O)C1CCCCC1 ZINC000039278163 171046710 /nfs/dbraw/zinc/04/67/10/171046710.db2.gz STRXPFVWJHWDJC-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN C/C=C/[C@@H](C)c1cc(C)cc(C)c1N ZINC000039284809 343209782 /nfs/dbraw/zinc/20/97/82/343209782.db2.gz HFEXBUNJPJEAGR-BRAIEQGRSA-N 0 0 189.302 3.565 10 0 AHAERN C/C=C/[C@H](C)c1cc(C)cc(C)c1N ZINC000039284810 343209821 /nfs/dbraw/zinc/20/98/21/343209821.db2.gz HFEXBUNJPJEAGR-PORFMDCZSA-N 0 0 189.302 3.565 10 0 AHAERN C/C=C/COc1cccc2ccccc21 ZINC000039291656 571965960 /nfs/dbraw/zinc/96/59/60/571965960.db2.gz HEHGLQPLNIABSZ-NSCUHMNNSA-N 0 0 198.265 3.795 10 0 AHAERN CC(C)c1cc(C(C)(C)C)ccc1O ZINC000039318125 343210270 /nfs/dbraw/zinc/21/02/70/343210270.db2.gz VDQVJATUUNGJNN-UHFFFAOYSA-N 0 0 192.302 3.813 10 0 AHAERN Cc1cc(Cl)c(O)c(C(C)(C)C)c1 ZINC000039318127 343210476 /nfs/dbraw/zinc/21/04/76/343210476.db2.gz VPEGIVDIIYIRTF-UHFFFAOYSA-N 0 0 198.693 3.652 10 0 AHAERN CSc1cc(C(C)C)c(O)cc1C ZINC000039331895 571921818 /nfs/dbraw/zinc/92/18/18/571921818.db2.gz YBVWUTIFYNTZKF-UHFFFAOYSA-N 0 0 196.315 3.546 10 0 AHAERN CCCCC[C@@H]1CCCCCC1=O ZINC000039340939 571921721 /nfs/dbraw/zinc/92/17/21/571921721.db2.gz YKHUTDLCMXFERV-LLVKDONJSA-N 0 0 182.307 3.716 10 0 AHAERN CCCCC[C@H]1CCCCCC1=O ZINC000039340940 571817572 /nfs/dbraw/zinc/81/75/72/571817572.db2.gz YKHUTDLCMXFERV-NSHDSACASA-N 0 0 182.307 3.716 10 0 AHAERN CC(C)c1ccnc(C(C)(C)C)c1 ZINC000039369474 571925107 /nfs/dbraw/zinc/92/51/07/571925107.db2.gz RRXOQGSZUDVUOF-UHFFFAOYSA-N 0 0 177.291 3.503 10 0 AHAERN Cc1ccc(-c2ccccc2)c(C)c1N ZINC000039375847 571815424 /nfs/dbraw/zinc/81/54/24/571815424.db2.gz HMDJPFCLEOBBMU-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1csc2cc(Cl)c(O)cc12 ZINC000039391878 571926792 /nfs/dbraw/zinc/92/67/92/571926792.db2.gz KUZAAOYVXDFFOO-UHFFFAOYSA-N 0 0 198.674 3.569 10 0 AHAERN FC(F)(Cl)Sc1ccccc1 ZINC000039393884 343212059 /nfs/dbraw/zinc/21/20/59/343212059.db2.gz HDDIMFWDRZTORI-UHFFFAOYSA-N 0 0 194.633 3.568 10 0 AHAERN CC(C)c1cc(N)cc(C(C)C)c1 ZINC000039394588 166625746 /nfs/dbraw/zinc/62/57/46/166625746.db2.gz HGOAOVKVNRTSSQ-UHFFFAOYSA-N 0 0 177.291 3.516 10 0 AHAERN C/C=C/c1ccc2ccccc2c1O ZINC000039399979 571928007 /nfs/dbraw/zinc/92/80/07/571928007.db2.gz JPAOPOLQVHTFFL-GORDUTHDSA-N 0 0 184.238 3.579 10 0 AHAERN CC[C@H](C)CSc1ccccc1 ZINC000039401258 571819774 /nfs/dbraw/zinc/81/97/74/571819774.db2.gz YMLFBBCNDRGDSA-JTQLQIEISA-N 0 0 180.316 3.825 10 0 AHAERN C=COc1ccc(Cl)cc1Cl ZINC000039406836 166211703 /nfs/dbraw/zinc/21/17/03/166211703.db2.gz WZYSGPKKNXSNMG-UHFFFAOYSA-N 0 0 189.041 3.516 10 0 AHAERN CCc1nc2cc(C)c(C)cc2cc1C ZINC000039408317 572359993 /nfs/dbraw/zinc/35/99/93/572359993.db2.gz JHSLZWLUUBMXHS-UHFFFAOYSA-N 0 0 199.297 3.722 10 0 AHAERN CCCCCC(C)(C)CC(C)=O ZINC000039416251 571830504 /nfs/dbraw/zinc/83/05/04/571830504.db2.gz VUNYXOOLSAEATF-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN CCC(=O)c1ccc2cc(C)ccc2c1 ZINC000039419496 343212369 /nfs/dbraw/zinc/21/23/69/343212369.db2.gz WEBCKNDFLRJODL-UHFFFAOYSA-N 0 0 198.265 3.741 10 0 AHAERN C/C=C/[C@@H](C)c1cc(C)c(N)cc1C ZINC000039427231 571930447 /nfs/dbraw/zinc/93/04/47/571930447.db2.gz QDNWRFDJHCRXFT-VUHVRTRXSA-N 0 0 189.302 3.565 10 0 AHAERN C/C=C/[C@H](C)c1cc(C)c(N)cc1C ZINC000039427233 571931132 /nfs/dbraw/zinc/93/11/32/571931132.db2.gz QDNWRFDJHCRXFT-CYNONHLPSA-N 0 0 189.302 3.565 10 0 AHAERN CCCCC1CCC(C(C)=O)CC1 ZINC000039471574 571819810 /nfs/dbraw/zinc/81/98/10/571819810.db2.gz PCHCKVPFLHNTKX-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCc1ccc(C2CCCCC2)nc1 ZINC000039471581 572364622 /nfs/dbraw/zinc/36/46/22/572364622.db2.gz PSROUGDHMNCYAR-UHFFFAOYSA-N 0 0 189.302 3.692 10 0 AHAERN Cc1ccc2cc(C(C)C)ccc2n1 ZINC000039602714 571933379 /nfs/dbraw/zinc/93/33/79/571933379.db2.gz KGDCTAGRMJOMHA-UHFFFAOYSA-N 0 0 185.270 3.667 10 0 AHAERN Cc1ccc2cccc(C(C)C)c2n1 ZINC000039602718 572572785 /nfs/dbraw/zinc/57/27/85/572572785.db2.gz SFUDEEQGHVKELS-UHFFFAOYSA-N 0 0 185.270 3.667 10 0 AHAERN CCCC[C@](C)(CC)C1N=NN=N1 ZINC000039627696 166928828 /nfs/dbraw/zinc/92/88/28/166928828.db2.gz WENICSUFVFZKOP-VIFPVBQESA-N 0 0 182.271 3.752 10 0 AHAERN CCC1(CC)Nc2ccccc2S1 ZINC000039644484 166805127 /nfs/dbraw/zinc/80/51/27/166805127.db2.gz FZANMVKKUNBCSW-UHFFFAOYSA-N 0 0 193.315 3.721 10 0 AHAERN CCC[C@@H](C)c1cc(C)ccc1O ZINC000039647846 571935625 /nfs/dbraw/zinc/93/56/25/571935625.db2.gz DYCZZOJESNUJFA-SNVBAGLBSA-N 0 0 178.275 3.604 10 0 AHAERN CCC[C@H](C)c1cc(C)ccc1O ZINC000039647847 571936345 /nfs/dbraw/zinc/93/63/45/571936345.db2.gz DYCZZOJESNUJFA-JTQLQIEISA-N 0 0 178.275 3.604 10 0 AHAERN Cc1ccc(-c2cccs2)s1 ZINC000039953757 343214363 /nfs/dbraw/zinc/21/43/63/343214363.db2.gz JFMOEAUCEDWSLO-UHFFFAOYSA-N 0 0 180.297 3.785 10 0 AHAERN Cc1cc(C)c2[nH]ccc(=S)c2c1 ZINC000040175657 343215585 /nfs/dbraw/zinc/21/55/85/343215585.db2.gz KUIUCNIIJSPMBQ-UHFFFAOYSA-N 0 0 189.283 3.514 10 0 AHAERN CCC[C@@H](C)Nc1cccc(F)c1F ZINC000040229843 167037217 /nfs/dbraw/zinc/03/72/17/167037217.db2.gz MKUXNRBIYJGOGB-MRVPVSSYSA-N 0 0 199.244 3.565 10 0 AHAERN CCC[C@H](C)Nc1cccc(F)c1F ZINC000040229844 167070129 /nfs/dbraw/zinc/07/01/29/167070129.db2.gz MKUXNRBIYJGOGB-QMMMGPOBSA-N 0 0 199.244 3.565 10 0 AHAERN CCC(CC)Nc1cccc(F)c1F ZINC000040230036 166797808 /nfs/dbraw/zinc/79/78/08/166797808.db2.gz FOIIDGBMBKAKQP-UHFFFAOYSA-N 0 0 199.244 3.565 10 0 AHAERN Cc1ccc([C@H](O)CC(C)(C)C)s1 ZINC000040242156 343216074 /nfs/dbraw/zinc/21/60/74/343216074.db2.gz WFSYEPTUXILNQI-SECBINFHSA-N 0 0 198.331 3.526 10 0 AHAERN Cc1ccc([C@@H](O)CC(C)(C)C)s1 ZINC000040242157 343216305 /nfs/dbraw/zinc/21/63/05/343216305.db2.gz WFSYEPTUXILNQI-VIFPVBQESA-N 0 0 198.331 3.526 10 0 AHAERN Cc1ccc([C@H](O)CCC(C)C)s1 ZINC000040242294 572200597 /nfs/dbraw/zinc/20/05/97/572200597.db2.gz YQQRRYOVYDAQKH-SNVBAGLBSA-N 0 0 198.331 3.526 10 0 AHAERN CCCCc1cc(C)c2ccccc2n1 ZINC000040368811 171101014 /nfs/dbraw/zinc/10/10/14/171101014.db2.gz USIXUWHLQIYKPS-UHFFFAOYSA-N 0 0 199.297 3.886 10 0 AHAERN CCCCCOc1ccc(CC)cc1 ZINC000040448713 572589604 /nfs/dbraw/zinc/58/96/04/572589604.db2.gz JUQAIZNMHXANTP-UHFFFAOYSA-N 0 0 192.302 3.818 10 0 AHAERN CC(C)C(=O)c1ccc2ccccc2c1 ZINC000040936041 351513578 /nfs/dbraw/zinc/51/35/78/351513578.db2.gz OCZYIFMCWNRVOW-UHFFFAOYSA-N 0 0 198.265 3.679 10 0 AHAERN CC(C)(C)CNc1ccccc1Cl ZINC000041051119 166354741 /nfs/dbraw/zinc/35/47/41/166354741.db2.gz DCQMIEXUBUXMAS-UHFFFAOYSA-N 0 0 197.709 3.798 10 0 AHAERN CCc1ccccc1NCC(C)(C)C ZINC000041051127 167752278 /nfs/dbraw/zinc/75/22/78/167752278.db2.gz MCSJRCDAXLXUPS-UHFFFAOYSA-N 0 0 191.318 3.707 10 0 AHAERN CCc1ccc(-c2ccc(C)[nH]2)cc1 ZINC000041203096 571980715 /nfs/dbraw/zinc/98/07/15/571980715.db2.gz ULYSYLYFTBLNOF-UHFFFAOYSA-N 0 0 185.270 3.553 10 0 AHAERN Cc1ccc(SC(F)F)cc1C ZINC000041204171 571980682 /nfs/dbraw/zinc/98/06/82/571980682.db2.gz HLLVRDJSFCJKLC-UHFFFAOYSA-N 0 0 188.242 3.618 10 0 AHAERN Cc1ccc(SC(F)F)c(C)c1 ZINC000041204173 168832557 /nfs/dbraw/zinc/83/25/57/168832557.db2.gz PZRGCVXNFJZPKF-UHFFFAOYSA-N 0 0 188.242 3.618 10 0 AHAERN Cc1ccc(C)c(SC(F)F)c1 ZINC000041204175 571981057 /nfs/dbraw/zinc/98/10/57/571981057.db2.gz JIQUEJOUZCVRDR-UHFFFAOYSA-N 0 0 188.242 3.618 10 0 AHAERN CCc1ccc(SC(F)F)cc1 ZINC000041204177 571981649 /nfs/dbraw/zinc/98/16/49/571981649.db2.gz KTLFILSFLAJWQW-UHFFFAOYSA-N 0 0 188.242 3.564 10 0 AHAERN Cc1ccc(NCC2CCCC2)cc1 ZINC000041204810 571980756 /nfs/dbraw/zinc/98/07/56/571980756.db2.gz HHEHNJVCNDWKBI-UHFFFAOYSA-N 0 0 189.302 3.597 10 0 AHAERN Cc1ccccc1C(=O)CCC(C)C ZINC000041205039 171145957 /nfs/dbraw/zinc/14/59/57/171145957.db2.gz DZDIUPJRTPEYPW-UHFFFAOYSA-N 0 0 190.286 3.614 10 0 AHAERN Cc1cccc(C(=O)CCC(C)C)c1 ZINC000041205042 573886629 /nfs/dbraw/zinc/88/66/29/573886629.db2.gz HGHMKVVGLAXGSS-UHFFFAOYSA-N 0 0 190.286 3.614 10 0 AHAERN Cc1cccc(C)c1NCC(C)(C)C ZINC000041205587 571983333 /nfs/dbraw/zinc/98/33/33/571983333.db2.gz GEAOKJBFEMUNSY-UHFFFAOYSA-N 0 0 191.318 3.761 10 0 AHAERN Cc1ccc(-c2ccccc2Cl)[nH]1 ZINC000041205793 571983433 /nfs/dbraw/zinc/98/34/33/571983433.db2.gz LQBJTTWBQMDEAW-UHFFFAOYSA-N 0 0 191.661 3.644 10 0 AHAERN Cc1ccc(-c2cccc(Cl)c2)[nH]1 ZINC000041205794 571984074 /nfs/dbraw/zinc/98/40/74/571984074.db2.gz NANPFXWWFPBEOC-UHFFFAOYSA-N 0 0 191.661 3.644 10 0 AHAERN FC(F)Sc1cccc(Cl)c1 ZINC000041206903 169074367 /nfs/dbraw/zinc/07/43/67/169074367.db2.gz WOSBBWBWUAKDGX-UHFFFAOYSA-N 0 0 194.633 3.655 10 0 AHAERN Cc1cc(-c2ccccc2)cc(N)c1C ZINC000041209129 631153725 /nfs/dbraw/zinc/15/37/25/631153725.db2.gz MWRAGIYDLQHBDX-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1cccc(-c2cccc(N)c2)c1C ZINC000041209131 343232606 /nfs/dbraw/zinc/23/26/06/343232606.db2.gz BHWICJWZEFPMAJ-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN CCCCCNc1c(C)cccc1C ZINC000041571696 573903950 /nfs/dbraw/zinc/90/39/50/573903950.db2.gz LVKVSRXFHLUBHE-UHFFFAOYSA-N 0 0 191.318 3.906 10 0 AHAERN Cc1ccc(-c2ccccc2O)cc1C ZINC000041660836 572231311 /nfs/dbraw/zinc/23/13/11/572231311.db2.gz LBANDSMZAUQGAD-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN CC(C)CCC[C@@H](C)n1cccc1 ZINC000042207720 573924318 /nfs/dbraw/zinc/92/43/18/573924318.db2.gz NYYQNPDZWKCBIB-GFCCVEGCSA-N 0 0 179.307 3.875 10 0 AHAERN CC(C)CCC[C@H](C)n1cccc1 ZINC000042207723 573924500 /nfs/dbraw/zinc/92/45/00/573924500.db2.gz NYYQNPDZWKCBIB-LBPRGKRZSA-N 0 0 179.307 3.875 10 0 AHAERN CC[C@@H](C)[C@@H](C)n1c(C)ccc1C ZINC000042558309 572036585 /nfs/dbraw/zinc/03/65/85/572036585.db2.gz RVLPAICNAOKAFA-BXKDBHETSA-N 0 0 179.307 3.712 10 0 AHAERN CC[C@H](C)[C@@H](C)n1c(C)ccc1C ZINC000042558312 572034268 /nfs/dbraw/zinc/03/42/68/572034268.db2.gz RVLPAICNAOKAFA-JOYOIKCWSA-N 0 0 179.307 3.712 10 0 AHAERN CC[C@@H](C)[C@H](C)n1c(C)ccc1C ZINC000042558315 572035856 /nfs/dbraw/zinc/03/58/56/572035856.db2.gz RVLPAICNAOKAFA-SKDRFNHKSA-N 0 0 179.307 3.712 10 0 AHAERN CC[C@H](C)[C@H](C)n1c(C)ccc1C ZINC000042558318 572035966 /nfs/dbraw/zinc/03/59/66/572035966.db2.gz RVLPAICNAOKAFA-CABZTGNLSA-N 0 0 179.307 3.712 10 0 AHAERN CCCCC[C@@H](C)n1cc[nH]c1=S ZINC000042572138 166870060 /nfs/dbraw/zinc/87/00/60/166870060.db2.gz FONABOZLCLEHBB-SECBINFHSA-N 0 0 198.335 3.687 10 0 AHAERN CCCCC[C@H](C)n1cc[nH]c1=S ZINC000042572141 343247254 /nfs/dbraw/zinc/24/72/54/343247254.db2.gz FONABOZLCLEHBB-VIFPVBQESA-N 0 0 198.335 3.687 10 0 AHAERN CCCCC[C@@H](C)n1cccc1 ZINC000042572833 166870915 /nfs/dbraw/zinc/87/09/15/166870915.db2.gz LTPMYNHSGBODJB-LLVKDONJSA-N 0 0 165.280 3.629 10 0 AHAERN CCCCC[C@H](C)n1cccc1 ZINC000042572835 573983524 /nfs/dbraw/zinc/98/35/24/573983524.db2.gz LTPMYNHSGBODJB-NSHDSACASA-N 0 0 165.280 3.629 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1n1cccc1 ZINC000042582106 343247813 /nfs/dbraw/zinc/24/78/13/343247813.db2.gz GNROPRDMMYKQTR-NEPJUHHUSA-N 0 0 177.291 3.629 10 0 AHAERN CC[C@H]1CCCC[C@@H]1n1cccc1 ZINC000042582109 343247769 /nfs/dbraw/zinc/24/77/69/343247769.db2.gz GNROPRDMMYKQTR-RYUDHWBXSA-N 0 0 177.291 3.629 10 0 AHAERN CC[C@@H]1CCCC[C@H]1n1cccc1 ZINC000042582112 343247931 /nfs/dbraw/zinc/24/79/31/343247931.db2.gz GNROPRDMMYKQTR-VXGBXAGGSA-N 0 0 177.291 3.629 10 0 AHAERN CC[C@H]1CCCC[C@H]1n1cccc1 ZINC000042582115 343247664 /nfs/dbraw/zinc/24/76/64/343247664.db2.gz GNROPRDMMYKQTR-NWDGAFQWSA-N 0 0 177.291 3.629 10 0 AHAERN CCC1CCC(n2cccc2)CC1 ZINC000042582121 166813081 /nfs/dbraw/zinc/81/30/81/166813081.db2.gz JQPVECLCABSGSA-UHFFFAOYSA-N 0 0 177.291 3.629 10 0 AHAERN CC[C@@H](C(C)C)n1c(C)ccc1C ZINC000042593087 167449956 /nfs/dbraw/zinc/44/99/56/167449956.db2.gz OAECJXVXZZXZLR-LBPRGKRZSA-N 0 0 179.307 3.712 10 0 AHAERN CC[C@H](C(C)C)n1c(C)ccc1C ZINC000042593089 343248310 /nfs/dbraw/zinc/24/83/10/343248310.db2.gz OAECJXVXZZXZLR-GFCCVEGCSA-N 0 0 179.307 3.712 10 0 AHAERN CCC(CC)C(=O)c1sccc1C ZINC000042728585 166788188 /nfs/dbraw/zinc/78/81/88/166788188.db2.gz VGIPWIVXRCEWNB-UHFFFAOYSA-N 0 0 196.315 3.675 10 0 AHAERN CCCCCC(=O)c1sccc1C ZINC000042728623 166848078 /nfs/dbraw/zinc/84/80/78/166848078.db2.gz IHZXUAXOXQDOED-UHFFFAOYSA-N 0 0 196.315 3.820 10 0 AHAERN Cc1ccsc1C(=O)CC(C)(C)C ZINC000042728629 343249021 /nfs/dbraw/zinc/24/90/21/343249021.db2.gz CVVJWIZOPSLJMS-UHFFFAOYSA-N 0 0 196.315 3.675 10 0 AHAERN Cc1ccsc1C(=O)CCC(C)C ZINC000042728631 573248154 /nfs/dbraw/zinc/24/81/54/573248154.db2.gz XCPOSTHTMNUUAJ-UHFFFAOYSA-N 0 0 196.315 3.675 10 0 AHAERN CCC[C@@H](C)C(=O)c1sccc1C ZINC000042728633 167028816 /nfs/dbraw/zinc/02/88/16/167028816.db2.gz VFHDJKSOQPZZAI-MRVPVSSYSA-N 0 0 196.315 3.675 10 0 AHAERN CCC[C@H](C)C(=O)c1sccc1C ZINC000042728634 167065279 /nfs/dbraw/zinc/06/52/79/167065279.db2.gz VFHDJKSOQPZZAI-QMMMGPOBSA-N 0 0 196.315 3.675 10 0 AHAERN CCC[C@@H](C)[C@H](O)c1sccc1C ZINC000042730940 167037572 /nfs/dbraw/zinc/03/75/72/167037572.db2.gz NWBWNXQGYLIAFO-SCZZXKLOSA-N 0 0 198.331 3.526 10 0 AHAERN CCC[C@H](C)[C@H](O)c1sccc1C ZINC000042730942 167074772 /nfs/dbraw/zinc/07/47/72/167074772.db2.gz NWBWNXQGYLIAFO-WPRPVWTQSA-N 0 0 198.331 3.526 10 0 AHAERN CCC[C@@H](C)[C@@H](O)c1sccc1C ZINC000042730945 167039841 /nfs/dbraw/zinc/03/98/41/167039841.db2.gz NWBWNXQGYLIAFO-PSASIEDQSA-N 0 0 198.331 3.526 10 0 AHAERN CCC[C@H](C)[C@@H](O)c1sccc1C ZINC000042730948 167073829 /nfs/dbraw/zinc/07/38/29/167073829.db2.gz NWBWNXQGYLIAFO-WCBMZHEXSA-N 0 0 198.331 3.526 10 0 AHAERN Cc1ccsc1[C@H](O)CCC(C)C ZINC000042730950 573255423 /nfs/dbraw/zinc/25/54/23/573255423.db2.gz CGCXWUPTFZCORS-SNVBAGLBSA-N 0 0 198.331 3.526 10 0 AHAERN Cc1ccsc1[C@@H](O)CCC(C)C ZINC000042730953 573257594 /nfs/dbraw/zinc/25/75/94/573257594.db2.gz CGCXWUPTFZCORS-JTQLQIEISA-N 0 0 198.331 3.526 10 0 AHAERN CCCCC[C@H](O)c1sccc1C ZINC000042730992 573256574 /nfs/dbraw/zinc/25/65/74/573256574.db2.gz WNVFXLGQTFDJDW-JTQLQIEISA-N 0 0 198.331 3.670 10 0 AHAERN CCCCC[C@@H](O)c1sccc1C ZINC000042730995 573257440 /nfs/dbraw/zinc/25/74/40/573257440.db2.gz WNVFXLGQTFDJDW-SNVBAGLBSA-N 0 0 198.331 3.670 10 0 AHAERN Cc1ccsc1[C@H](O)CC(C)(C)C ZINC000042731233 572056712 /nfs/dbraw/zinc/05/67/12/572056712.db2.gz IYCOTLBFJZQVSU-SECBINFHSA-N 0 0 198.331 3.526 10 0 AHAERN Cc1ccsc1[C@@H](O)CC(C)(C)C ZINC000042731236 572055410 /nfs/dbraw/zinc/05/54/10/572055410.db2.gz IYCOTLBFJZQVSU-VIFPVBQESA-N 0 0 198.331 3.526 10 0 AHAERN CCC(CC)[C@H](O)c1sccc1C ZINC000042731405 572057268 /nfs/dbraw/zinc/05/72/68/572057268.db2.gz SVAXJOZTCZWJJP-JTQLQIEISA-N 0 0 198.331 3.526 10 0 AHAERN CCC(CC)[C@@H](O)c1sccc1C ZINC000042731408 166797616 /nfs/dbraw/zinc/79/76/16/166797616.db2.gz SVAXJOZTCZWJJP-SNVBAGLBSA-N 0 0 198.331 3.526 10 0 AHAERN Cc1c(F)cccc1NCCC(C)C ZINC000043319422 343251164 /nfs/dbraw/zinc/25/11/64/343251164.db2.gz WSSWMNMWTKRGJQ-UHFFFAOYSA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@@H](C)CNc1cccc(F)c1C ZINC000043319819 351527827 /nfs/dbraw/zinc/52/78/27/351527827.db2.gz ZJLNMCFXIWFNLA-SECBINFHSA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@H](C)CNc1cccc(F)c1C ZINC000043319821 343251312 /nfs/dbraw/zinc/25/13/12/343251312.db2.gz ZJLNMCFXIWFNLA-VIFPVBQESA-N 0 0 195.281 3.592 10 0 AHAERN Fc1cc(F)cc(-c2ccccc2)c1 ZINC000043362267 171087699 /nfs/dbraw/zinc/08/76/99/171087699.db2.gz MPTWJHQTHSKJER-UHFFFAOYSA-N 0 0 190.192 3.632 10 0 AHAERN CC(C)CCC(=O)C1CCCCC1 ZINC000043374165 573674749 /nfs/dbraw/zinc/67/47/49/573674749.db2.gz GWDMXWVJLYODIZ-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)(C)CC(C)(C)n1cccc1 ZINC000043437049 572179952 /nfs/dbraw/zinc/17/99/52/572179952.db2.gz WMDSQDDUCLYDPC-UHFFFAOYSA-N 0 0 179.307 3.659 10 0 AHAERN CCCC[C@@H](CC)CCC(=O)CC ZINC000043455605 573815472 /nfs/dbraw/zinc/81/54/72/573815472.db2.gz GPWXFAGLYWGJRK-LLVKDONJSA-N 0 0 184.323 3.962 10 0 AHAERN CCCC[C@H](CC)CCC(=O)CC ZINC000043455607 573811769 /nfs/dbraw/zinc/81/17/69/573811769.db2.gz GPWXFAGLYWGJRK-NSHDSACASA-N 0 0 184.323 3.962 10 0 AHAERN CCCC[C@@H](CC)C[C@@H](C)C(C)=O ZINC000043455613 573814221 /nfs/dbraw/zinc/81/42/21/573814221.db2.gz VEPUBNGSXBAGDW-ZYHUDNBSSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@H](CC)C[C@@H](C)C(C)=O ZINC000043455614 166924449 /nfs/dbraw/zinc/92/44/49/166924449.db2.gz VEPUBNGSXBAGDW-PWSUYJOCSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@@H](CC)C[C@H](C)C(C)=O ZINC000043455616 573812698 /nfs/dbraw/zinc/81/26/98/573812698.db2.gz VEPUBNGSXBAGDW-CMPLNLGQSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@H](CC)C[C@H](C)C(C)=O ZINC000043455618 573814013 /nfs/dbraw/zinc/81/40/13/573814013.db2.gz VEPUBNGSXBAGDW-JQWIXIFHSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@@H](CC)C[C@@H]1CCCC1=O ZINC000043455627 166917756 /nfs/dbraw/zinc/91/77/56/166917756.db2.gz HJDWJBNEHUIMMZ-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H](CC)C[C@@H]1CCCC1=O ZINC000043455629 166924708 /nfs/dbraw/zinc/92/47/08/166924708.db2.gz HJDWJBNEHUIMMZ-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@@H](CC)C[C@H]1CCCC1=O ZINC000043455631 573814384 /nfs/dbraw/zinc/81/43/84/573814384.db2.gz HJDWJBNEHUIMMZ-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H](CC)C[C@H]1CCCC1=O ZINC000043455632 573812089 /nfs/dbraw/zinc/81/20/89/573812089.db2.gz HJDWJBNEHUIMMZ-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@@H](CC)CC1(O)CCCC1 ZINC000043456098 573814631 /nfs/dbraw/zinc/81/46/31/573814631.db2.gz OPLKKFKYKWRKEZ-GFCCVEGCSA-N 0 0 198.350 3.898 10 0 AHAERN CCCC[C@H](CC)CC1(O)CCCC1 ZINC000043456099 573812535 /nfs/dbraw/zinc/81/25/35/573812535.db2.gz OPLKKFKYKWRKEZ-LBPRGKRZSA-N 0 0 198.350 3.898 10 0 AHAERN CCCC[C@@H](CC)C[C@](C)(O)CC ZINC000043456105 166917947 /nfs/dbraw/zinc/91/79/47/166917947.db2.gz LAHYJLRUQFLDKD-VXGBXAGGSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@](C)(O)CC ZINC000043456107 166924317 /nfs/dbraw/zinc/92/43/17/166924317.db2.gz LAHYJLRUQFLDKD-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@@H](CC)C[C@@](C)(O)CC ZINC000043456109 166916646 /nfs/dbraw/zinc/91/66/46/166916646.db2.gz LAHYJLRUQFLDKD-NEPJUHHUSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@@](C)(O)CC ZINC000043456111 572185668 /nfs/dbraw/zinc/18/56/68/572185668.db2.gz LAHYJLRUQFLDKD-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@@H](CC)C[C@](C)(O)C1CC1 ZINC000043456120 573816209 /nfs/dbraw/zinc/81/62/09/573816209.db2.gz BLVBCWIPRAASSP-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@](C)(O)C1CC1 ZINC000043456122 573812469 /nfs/dbraw/zinc/81/24/69/573812469.db2.gz BLVBCWIPRAASSP-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](CC)C[C@@](C)(O)C1CC1 ZINC000043456124 166915961 /nfs/dbraw/zinc/91/59/61/166915961.db2.gz BLVBCWIPRAASSP-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@@](C)(O)C1CC1 ZINC000043456126 573815289 /nfs/dbraw/zinc/81/52/89/573815289.db2.gz BLVBCWIPRAASSP-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](CC)CC(=O)C(C)C ZINC000043456205 573815776 /nfs/dbraw/zinc/81/57/76/573815776.db2.gz IKUSWYVXWQXRQT-LLVKDONJSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@H](CC)CC(=O)C(C)C ZINC000043456207 166923634 /nfs/dbraw/zinc/92/36/34/166923634.db2.gz IKUSWYVXWQXRQT-NSHDSACASA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@@H](CC)CC(=O)CC ZINC000043456213 166914793 /nfs/dbraw/zinc/91/47/93/166914793.db2.gz KAOJOMUTIDDDOQ-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN CCCC[C@H](CC)CC(=O)CC ZINC000043456215 573812443 /nfs/dbraw/zinc/81/24/43/573812443.db2.gz KAOJOMUTIDDDOQ-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CCCC[C@@H](CC)CC(=O)CCC ZINC000043456221 573814377 /nfs/dbraw/zinc/81/43/77/573814377.db2.gz 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CCCC[C@H](CC)C[C@@H](O)C(C)C ZINC000043456349 573813827 /nfs/dbraw/zinc/81/38/27/573813827.db2.gz GUGVMTKWVGIALV-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@@H](CC)C[C@H](O)CCC ZINC000043456359 166918265 /nfs/dbraw/zinc/91/82/65/166918265.db2.gz SHIMGJOEDUQLQM-VXGBXAGGSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@H](O)CCC ZINC000043456361 573813693 /nfs/dbraw/zinc/81/36/93/573813693.db2.gz SHIMGJOEDUQLQM-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@@H](CC)C[C@@H](O)CCC ZINC000043456363 166916154 /nfs/dbraw/zinc/91/61/54/166916154.db2.gz SHIMGJOEDUQLQM-NEPJUHHUSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@@H](O)CCC ZINC000043456364 166924642 /nfs/dbraw/zinc/92/46/42/166924642.db2.gz SHIMGJOEDUQLQM-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@@H](CC)C(=O)c1ccco1 ZINC000043606666 166915712 /nfs/dbraw/zinc/91/57/12/166915712.db2.gz UXBLTEAKFRYXKC-SNVBAGLBSA-N 0 0 194.274 3.679 10 0 AHAERN CCCC[C@H](CC)C(=O)c1ccco1 ZINC000043606667 166924608 /nfs/dbraw/zinc/92/46/08/166924608.db2.gz UXBLTEAKFRYXKC-JTQLQIEISA-N 0 0 194.274 3.679 10 0 AHAERN CCC(CC)C(=O)c1cc(C)oc1C ZINC000043609490 573849093 /nfs/dbraw/zinc/84/90/93/573849093.db2.gz CPJHGVYVDFBQIQ-UHFFFAOYSA-N 0 0 194.274 3.515 10 0 AHAERN CCCCCC(=O)c1cc(C)oc1C ZINC000043609548 573847802 /nfs/dbraw/zinc/84/78/02/573847802.db2.gz ORAXXLIDGQVCNJ-UHFFFAOYSA-N 0 0 194.274 3.659 10 0 AHAERN Cc1cc(C(=O)CC(C)(C)C)c(C)o1 ZINC000043609557 572203231 /nfs/dbraw/zinc/20/32/31/572203231.db2.gz KWNJUEUWJIPUKC-UHFFFAOYSA-N 0 0 194.274 3.515 10 0 AHAERN CC(C)CC[C@@H]1CCCCCC1=O ZINC000043650100 343258068 /nfs/dbraw/zinc/25/80/68/343258068.db2.gz CYCBZKWWBTVSJF-NSHDSACASA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)CC[C@H]1CCCCCC1=O ZINC000043650101 343258093 /nfs/dbraw/zinc/25/80/93/343258093.db2.gz CYCBZKWWBTVSJF-LLVKDONJSA-N 0 0 182.307 3.572 10 0 AHAERN O=C1CCCCC[C@@H]1CC1CCCC1 ZINC000043650156 572204931 /nfs/dbraw/zinc/20/49/31/572204931.db2.gz PCRBPKLLZOWZJO-GFCCVEGCSA-N 0 0 194.318 3.716 10 0 AHAERN O=C1CCCCC[C@H]1CC1CCCC1 ZINC000043650157 572204045 /nfs/dbraw/zinc/20/40/45/572204045.db2.gz PCRBPKLLZOWZJO-LBPRGKRZSA-N 0 0 194.318 3.716 10 0 AHAERN CC(C)(C)CC[C@@H]1CCCCCC1=O ZINC000043650158 572205614 /nfs/dbraw/zinc/20/56/14/572205614.db2.gz GTQXKEGTFTZEQZ-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)(C)CC[C@H]1CCCCCC1=O ZINC000043650159 572204833 /nfs/dbraw/zinc/20/48/33/572204833.db2.gz GTQXKEGTFTZEQZ-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCC[C@@H]1C[C@H](C)CCC1=O ZINC000043651964 573859067 /nfs/dbraw/zinc/85/90/67/573859067.db2.gz OFHNJKXRAIWXFD-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCC[C@H]1C[C@H](C)CCC1=O ZINC000043651965 573859624 /nfs/dbraw/zinc/85/96/24/573859624.db2.gz OFHNJKXRAIWXFD-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCC[C@@H]1C[C@@H](C)CCC1=O ZINC000043651966 573857959 /nfs/dbraw/zinc/85/79/59/573857959.db2.gz OFHNJKXRAIWXFD-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCC[C@H]1C[C@@H](C)CCC1=O ZINC000043651967 573857630 /nfs/dbraw/zinc/85/76/30/573857630.db2.gz OFHNJKXRAIWXFD-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC[C@@H]1C[C@H](C)CCC1=O ZINC000043651968 573860309 /nfs/dbraw/zinc/86/03/09/573860309.db2.gz DUHAPHSNOVRSEN-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCC[C@H]1C[C@H](C)CCC1=O ZINC000043651969 573859168 /nfs/dbraw/zinc/85/91/68/573859168.db2.gz DUHAPHSNOVRSEN-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CCCCC[C@@H]1C[C@@H](C)CCC1=O ZINC000043651970 573860222 /nfs/dbraw/zinc/86/02/22/573860222.db2.gz DUHAPHSNOVRSEN-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCC[C@H]1C[C@@H](C)CCC1=O ZINC000043651971 573859344 /nfs/dbraw/zinc/85/93/44/573859344.db2.gz DUHAPHSNOVRSEN-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN C[C@@H]1CCC(=O)[C@H](CC2CCCC2)C1 ZINC000043652242 343258471 /nfs/dbraw/zinc/25/84/71/343258471.db2.gz FZQZWCYJHNRACG-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC(=O)[C@H](CC2CCCC2)C1 ZINC000043652244 343258538 /nfs/dbraw/zinc/25/85/38/343258538.db2.gz 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196.334 3.818 10 0 AHAERN CC[C@@H]1CCC(=O)[C@H](CC=C(C)C)C1 ZINC000043653416 572205648 /nfs/dbraw/zinc/20/56/48/572205648.db2.gz CKTLSOGWHJBDLU-VXGBXAGGSA-N 0 0 194.318 3.738 10 0 AHAERN CC[C@H]1CCC(=O)[C@H](CC=C(C)C)C1 ZINC000043653418 167675104 /nfs/dbraw/zinc/67/51/04/167675104.db2.gz CKTLSOGWHJBDLU-NWDGAFQWSA-N 0 0 194.318 3.738 10 0 AHAERN CC[C@@H]1CCC(=O)[C@@H](CC=C(C)C)C1 ZINC000043653420 572204266 /nfs/dbraw/zinc/20/42/66/572204266.db2.gz CKTLSOGWHJBDLU-NEPJUHHUSA-N 0 0 194.318 3.738 10 0 AHAERN CC[C@H]1CCC(=O)[C@@H](CC=C(C)C)C1 ZINC000043653421 572206067 /nfs/dbraw/zinc/20/60/67/572206067.db2.gz CKTLSOGWHJBDLU-RYUDHWBXSA-N 0 0 194.318 3.738 10 0 AHAERN CCCC[C@@H]1C[C@H](CC)CCC1=O ZINC000043653459 573857848 /nfs/dbraw/zinc/85/78/48/573857848.db2.gz MLTYJVNIWCCSFJ-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC[C@H]1C[C@H](CC)CCC1=O ZINC000043653461 166930043 /nfs/dbraw/zinc/93/00/43/166930043.db2.gz MLTYJVNIWCCSFJ-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CCCC[C@@H]1C[C@@H](CC)CCC1=O ZINC000043653463 573858786 /nfs/dbraw/zinc/85/87/86/573858786.db2.gz MLTYJVNIWCCSFJ-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC[C@H]1C[C@@H](CC)CCC1=O ZINC000043653464 573858625 /nfs/dbraw/zinc/85/86/25/573858625.db2.gz MLTYJVNIWCCSFJ-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN C/C=C/C[C@@H]1C[C@H](CCC)CCC1=O ZINC000043653776 572241363 /nfs/dbraw/zinc/24/13/63/572241363.db2.gz WKBSHWKDVNTTRN-WEPHUFDCSA-N 0 0 194.318 3.738 10 0 AHAERN C/C=C/C[C@@H]1C[C@@H](CCC)CCC1=O ZINC000043653778 572241324 /nfs/dbraw/zinc/24/13/24/572241324.db2.gz WKBSHWKDVNTTRN-UHOOHFNOSA-N 0 0 194.318 3.738 10 0 AHAERN C/C=C/C[C@H]1C[C@H](CCC)CCC1=O ZINC000043653779 572242039 /nfs/dbraw/zinc/24/20/39/572242039.db2.gz WKBSHWKDVNTTRN-CHULQOHASA-N 0 0 194.318 3.738 10 0 AHAERN C/C=C/C[C@H]1C[C@@H](CCC)CCC1=O ZINC000043653781 572241993 /nfs/dbraw/zinc/24/19/93/572241993.db2.gz WKBSHWKDVNTTRN-SCBUBVSKSA-N 0 0 194.318 3.738 10 0 AHAERN CCCC[C@@H]1C[C@H](CCC)CCC1=O ZINC000043653799 572204155 /nfs/dbraw/zinc/20/41/55/572204155.db2.gz IJQZMIKTLVWPMJ-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H]1C[C@H](CCC)CCC1=O ZINC000043653801 573858139 /nfs/dbraw/zinc/85/81/39/573858139.db2.gz IJQZMIKTLVWPMJ-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@@H]1C[C@@H](CCC)CCC1=O ZINC000043653803 573857235 /nfs/dbraw/zinc/85/72/35/573857235.db2.gz IJQZMIKTLVWPMJ-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H]1C[C@@H](CCC)CCC1=O ZINC000043653805 573859746 /nfs/dbraw/zinc/85/97/46/573859746.db2.gz IJQZMIKTLVWPMJ-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@@H]1CCC(=O)[C@H](CC(C)C)C1 ZINC000043653807 167054052 /nfs/dbraw/zinc/05/40/52/167054052.db2.gz VNOIVUQJRJBNBG-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@H]1CCC(=O)[C@H](CC(C)C)C1 ZINC000043653809 167088457 /nfs/dbraw/zinc/08/84/57/167088457.db2.gz VNOIVUQJRJBNBG-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H]1CCC(=O)[C@@H](CC(C)C)C1 ZINC000043653810 167054059 /nfs/dbraw/zinc/05/40/59/167054059.db2.gz VNOIVUQJRJBNBG-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@H]1CCC(=O)[C@@H](CC(C)C)C1 ZINC000043653812 167087452 /nfs/dbraw/zinc/08/74/52/167087452.db2.gz VNOIVUQJRJBNBG-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H]1CCC(=O)[C@H](CCC)C1 ZINC000043653858 167053817 /nfs/dbraw/zinc/05/38/17/167053817.db2.gz VFBGNUGEQMTRRQ-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@@H]1C[C@@H](CCC)CCC1=O ZINC000043653859 167089234 /nfs/dbraw/zinc/08/92/34/167089234.db2.gz VFBGNUGEQMTRRQ-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@@H]1CCC(=O)[C@@H](CCC)C1 ZINC000043653860 167090886 /nfs/dbraw/zinc/09/08/86/167090886.db2.gz VFBGNUGEQMTRRQ-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@H]1CCC(=O)[C@@H](CCC)C1 ZINC000043653861 167088431 /nfs/dbraw/zinc/08/84/31/167088431.db2.gz VFBGNUGEQMTRRQ-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@@H]1C[C@H](C(C)(C)C)CCC1=O ZINC000043654051 167056747 /nfs/dbraw/zinc/05/67/47/167056747.db2.gz KMIVZYGUCIUIAK-GHMZBOCLSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@H]1C[C@H](C(C)(C)C)CCC1=O ZINC000043654052 167090402 /nfs/dbraw/zinc/09/04/02/167090402.db2.gz KMIVZYGUCIUIAK-WDEREUQCSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O ZINC000043654053 167056692 /nfs/dbraw/zinc/05/66/92/167056692.db2.gz KMIVZYGUCIUIAK-MNOVXSKESA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@H]1C[C@@H](C(C)(C)C)CCC1=O ZINC000043654054 167090619 /nfs/dbraw/zinc/09/06/19/167090619.db2.gz KMIVZYGUCIUIAK-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC[C@@H](CC)C[C@@H]1CCC[C@@H]1O ZINC000043656277 573856758 /nfs/dbraw/zinc/85/67/58/573856758.db2.gz FHHIJVUEMSJPJP-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@@H]1CCC[C@@H]1O ZINC000043656279 573856949 /nfs/dbraw/zinc/85/69/49/573856949.db2.gz FHHIJVUEMSJPJP-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](CC)C[C@H]1CCC[C@@H]1O ZINC000043656281 166918415 /nfs/dbraw/zinc/91/84/15/166918415.db2.gz FHHIJVUEMSJPJP-UPJWGTAASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@H]1CCC[C@@H]1O ZINC000043656283 573857377 /nfs/dbraw/zinc/85/73/77/573857377.db2.gz FHHIJVUEMSJPJP-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](O)CCC1CCCCC1 ZINC000043657372 167084990 /nfs/dbraw/zinc/08/49/90/167084990.db2.gz XYJUOVZEHORZHX-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@@H](O)CCC1CCCCC1 ZINC000043657373 167051053 /nfs/dbraw/zinc/05/10/53/167051053.db2.gz XYJUOVZEHORZHX-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CC(C)(C)[C@H](O)CCC1CCCCC1 ZINC000043657556 166379621 /nfs/dbraw/zinc/37/96/21/166379621.db2.gz VGXDXMQFUPGRPE-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)[C@@H](O)CCC1CCCCC1 ZINC000043657557 166376437 /nfs/dbraw/zinc/37/64/37/166376437.db2.gz VGXDXMQFUPGRPE-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@H](O)C(C)(C)C ZINC000043657683 166351047 /nfs/dbraw/zinc/35/10/47/166351047.db2.gz QWANNHSZCHEKFJ-JTQLQIEISA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)(C)CCC[C@@H](O)C(C)(C)C ZINC000043657684 166351171 /nfs/dbraw/zinc/35/11/71/166351171.db2.gz QWANNHSZCHEKFJ-SNVBAGLBSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@@H](CC)C[C@@H](C)[C@@H](C)O ZINC000043658733 166916030 /nfs/dbraw/zinc/91/60/30/166916030.db2.gz UYSUOAZBQUNLHD-IJLUTSLNSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](CC)C[C@@H](C)[C@@H](C)O ZINC000043658734 573856771 /nfs/dbraw/zinc/85/67/71/573856771.db2.gz UYSUOAZBQUNLHD-UTUOFQBUSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@@H](CC)C[C@H](C)[C@@H](C)O ZINC000043658735 573857105 /nfs/dbraw/zinc/85/71/05/573857105.db2.gz UYSUOAZBQUNLHD-QJPTWQEYSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](CC)C[C@H](C)[C@@H](C)O ZINC000043658736 166924523 /nfs/dbraw/zinc/92/45/23/166924523.db2.gz UYSUOAZBQUNLHD-TUAOUCFPSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCC[C@@H]1CCCCC[C@@H]1O ZINC000043658827 166857528 /nfs/dbraw/zinc/85/75/28/166857528.db2.gz VKAFXTNBXFBGDG-OLZOCXBDSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@H]1CCCCC[C@@H]1O ZINC000043658828 573857622 /nfs/dbraw/zinc/85/76/22/573857622.db2.gz VKAFXTNBXFBGDG-STQMWFEESA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@@H]1CCCCC[C@H]1O ZINC000043658829 573859692 /nfs/dbraw/zinc/85/96/92/573859692.db2.gz VKAFXTNBXFBGDG-CHWSQXEVSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@H]1CCCCC[C@H]1O ZINC000043658830 573856246 /nfs/dbraw/zinc/85/62/46/573856246.db2.gz VKAFXTNBXFBGDG-QWHCGFSZSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@H]1CCCCC[C@@H]1O ZINC000043658839 573858666 /nfs/dbraw/zinc/85/86/66/573858666.db2.gz ZOMHQVCREVSSCB-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@H]1CCCCC[C@@H]1O ZINC000043658840 573858213 /nfs/dbraw/zinc/85/82/13/573858213.db2.gz ZOMHQVCREVSSCB-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@@H]1CCCCC[C@H]1O ZINC000043658841 573858482 /nfs/dbraw/zinc/85/84/82/573858482.db2.gz ZOMHQVCREVSSCB-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@H]1CCCCC[C@H]1O ZINC000043658842 573858384 /nfs/dbraw/zinc/85/83/84/573858384.db2.gz ZOMHQVCREVSSCB-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN O[C@@H]1CCCCC[C@@H]1CC1CCCC1 ZINC000043659008 572208700 /nfs/dbraw/zinc/20/87/00/572208700.db2.gz XEVRDNWUDUKIGH-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H]1CCCCC[C@H]1CC1CCCC1 ZINC000043659009 572207252 /nfs/dbraw/zinc/20/72/52/572207252.db2.gz XEVRDNWUDUKIGH-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@H]1CCCCC[C@@H]1CC1CCCC1 ZINC000043659010 572207678 /nfs/dbraw/zinc/20/76/78/572207678.db2.gz XEVRDNWUDUKIGH-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@H]1CCCCC[C@H]1CC1CCCC1 ZINC000043659011 572206619 /nfs/dbraw/zinc/20/66/19/572206619.db2.gz XEVRDNWUDUKIGH-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)(C)CC[C@@H]1CCCCC[C@@H]1O ZINC000043659077 166350645 /nfs/dbraw/zinc/35/06/45/166350645.db2.gz FZQWZFCUFFAZTL-RYUDHWBXSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CC[C@H]1CCCCC[C@@H]1O ZINC000043659078 166350533 /nfs/dbraw/zinc/35/05/33/166350533.db2.gz FZQWZFCUFFAZTL-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CC[C@@H]1CCCCC[C@H]1O ZINC000043659080 166352204 /nfs/dbraw/zinc/35/22/04/166352204.db2.gz FZQWZFCUFFAZTL-NWDGAFQWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CC[C@H]1CCCCC[C@H]1O ZINC000043659081 166350544 /nfs/dbraw/zinc/35/05/44/166350544.db2.gz FZQWZFCUFFAZTL-VXGBXAGGSA-N 0 0 198.350 3.754 10 0 AHAERN C[C@@H]1CC[C@H](O)[C@H](CCC(C)(C)C)C1 ZINC000043660544 572206722 /nfs/dbraw/zinc/20/67/22/572206722.db2.gz MYPIUPMDTUXBJV-UTUOFQBUSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1CC[C@@H](O)[C@H](CCC(C)(C)C)C1 ZINC000043660547 572206783 /nfs/dbraw/zinc/20/67/83/572206783.db2.gz MYPIUPMDTUXBJV-IJLUTSLNSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CC[C@H](O)[C@H](CCC(C)C)C1 ZINC000043660622 572241985 /nfs/dbraw/zinc/24/19/85/572241985.db2.gz LAXQJDJIFREWSH-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CC[C@@H](O)[C@H](CCC(C)C)C1 ZINC000043660625 572242049 /nfs/dbraw/zinc/24/20/49/572242049.db2.gz LAXQJDJIFREWSH-JHJVBQTASA-N 0 0 198.350 3.610 10 0 AHAERN CCCCC[C@@H]1C[C@H](CC)CC[C@@H]1O ZINC000043660643 573858856 /nfs/dbraw/zinc/85/88/56/573858856.db2.gz FINTTXKETXGFAM-UPJWGTAASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@H]1C[C@H](CC)CC[C@@H]1O ZINC000043660645 573856955 /nfs/dbraw/zinc/85/69/55/573856955.db2.gz FINTTXKETXGFAM-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@@H]1C[C@@H](CC)CC[C@@H]1O ZINC000043660647 573857012 /nfs/dbraw/zinc/85/70/12/573857012.db2.gz FINTTXKETXGFAM-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@H]1C[C@@H](CC)CC[C@@H]1O ZINC000043660649 573859042 /nfs/dbraw/zinc/85/90/42/573859042.db2.gz FINTTXKETXGFAM-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN C/C=C/C[C@@H]1C[C@H](CCC)CC[C@@H]1O ZINC000043660970 572241604 /nfs/dbraw/zinc/24/16/04/572241604.db2.gz LXJPQTMBQMKHMN-HHPMJQAUSA-N 0 0 196.334 3.530 10 0 AHAERN C/C=C/C[C@@H]1C[C@H](CCC)CC[C@H]1O ZINC000043660974 572241647 /nfs/dbraw/zinc/24/16/47/572241647.db2.gz LXJPQTMBQMKHMN-YICHIWNISA-N 0 0 196.334 3.530 10 0 AHAERN CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1O ZINC000043660995 573858822 /nfs/dbraw/zinc/85/88/22/573858822.db2.gz AGKDVPPKBPYFCJ-UPJWGTAASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H]1C[C@H](CCC)CC[C@@H]1O ZINC000043660997 573862219 /nfs/dbraw/zinc/86/22/19/573862219.db2.gz AGKDVPPKBPYFCJ-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1O ZINC000043660999 573864858 /nfs/dbraw/zinc/86/48/58/573864858.db2.gz AGKDVPPKBPYFCJ-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H]1C[C@@H](CCC)CC[C@@H]1O ZINC000043661000 573865284 /nfs/dbraw/zinc/86/52/84/573865284.db2.gz AGKDVPPKBPYFCJ-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000043661230 572207973 /nfs/dbraw/zinc/20/79/73/572207973.db2.gz SCNYZHYDQBHZAU-UTUOFQBUSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000043661232 573866311 /nfs/dbraw/zinc/86/63/11/573866311.db2.gz SCNYZHYDQBHZAU-TUAOUCFPSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000043661234 572208140 /nfs/dbraw/zinc/20/81/40/572208140.db2.gz SCNYZHYDQBHZAU-WOPDTQHZSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000043661236 573862645 /nfs/dbraw/zinc/86/26/45/573862645.db2.gz SCNYZHYDQBHZAU-SRVKXCTJSA-N 0 0 198.350 3.610 10 0 AHAERN CC(=O)CC[C@H](C)CCCC(C)C ZINC000044082524 166241621 /nfs/dbraw/zinc/24/16/21/166241621.db2.gz JLUPXNKKEGLDEO-LLVKDONJSA-N 0 0 184.323 3.818 10 0 AHAERN CC(=O)CC[C@@H](C)CCCC(C)C ZINC000044082526 166241514 /nfs/dbraw/zinc/24/15/14/166241514.db2.gz JLUPXNKKEGLDEO-NSHDSACASA-N 0 0 184.323 3.818 10 0 AHAERN C[C@@H](CCc1ccccc1)n1cccc1 ZINC000044288892 168339747 /nfs/dbraw/zinc/33/97/47/168339747.db2.gz SFOHMXZLJQOTDP-ZDUSSCGKSA-N 0 0 199.297 3.682 10 0 AHAERN C[C@H](CCc1ccccc1)n1cccc1 ZINC000044288896 573895883 /nfs/dbraw/zinc/89/58/83/573895883.db2.gz SFOHMXZLJQOTDP-CYBMUJFWSA-N 0 0 199.297 3.682 10 0 AHAERN CC[C@@H]1CCC(=O)[C@H](CCC(C)C)C1 ZINC000044468749 167546268 /nfs/dbraw/zinc/54/62/68/167546268.db2.gz VUERDYWLUVJTIW-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCC(=O)[C@H](CCC(C)C)C1 ZINC000044468752 573903250 /nfs/dbraw/zinc/90/32/50/573903250.db2.gz VUERDYWLUVJTIW-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCC(=O)[C@@H](CCC(C)C)C1 ZINC000044468754 573904279 /nfs/dbraw/zinc/90/42/79/573904279.db2.gz VUERDYWLUVJTIW-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCC(=O)[C@@H](CCC(C)C)C1 ZINC000044468757 573901119 /nfs/dbraw/zinc/90/11/19/573901119.db2.gz VUERDYWLUVJTIW-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCC[C@@H]1C[C@H](CC)CCC1=O ZINC000044468784 166873872 /nfs/dbraw/zinc/87/38/72/166873872.db2.gz OPSYYRHUNPNHEV-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC[C@H]1C[C@H](CC)CCC1=O ZINC000044468787 573904442 /nfs/dbraw/zinc/90/44/42/573904442.db2.gz OPSYYRHUNPNHEV-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC[C@@H]1C[C@@H](CC)CCC1=O ZINC000044468789 573903082 /nfs/dbraw/zinc/90/30/82/573903082.db2.gz OPSYYRHUNPNHEV-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC[C@H]1C[C@@H](CC)CCC1=O ZINC000044468791 166877003 /nfs/dbraw/zinc/87/70/03/166877003.db2.gz OPSYYRHUNPNHEV-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCC[C@@H]1CCCC[C@@H]1O ZINC000044469819 573905052 /nfs/dbraw/zinc/90/50/52/573905052.db2.gz FUEBJGBQVICDLZ-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@H]1CCCC[C@@H]1O ZINC000044469821 573903253 /nfs/dbraw/zinc/90/32/53/573903253.db2.gz FUEBJGBQVICDLZ-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@@H]1CCCC[C@H]1O ZINC000044469824 166856748 /nfs/dbraw/zinc/85/67/48/166856748.db2.gz FUEBJGBQVICDLZ-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@H]1CCCC[C@H]1O ZINC000044469827 573904455 /nfs/dbraw/zinc/90/44/55/573904455.db2.gz FUEBJGBQVICDLZ-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000044470085 573903075 /nfs/dbraw/zinc/90/30/75/573903075.db2.gz KHENCCHZTNCQGZ-UPJWGTAASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@H]1C[C@H](C)CC[C@@H]1O ZINC000044470088 166860393 /nfs/dbraw/zinc/86/03/93/166860393.db2.gz KHENCCHZTNCQGZ-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000044470091 166857747 /nfs/dbraw/zinc/85/77/47/166857747.db2.gz KHENCCHZTNCQGZ-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@H]1C[C@@H](C)CC[C@@H]1O ZINC000044470094 573900789 /nfs/dbraw/zinc/90/07/89/573900789.db2.gz KHENCCHZTNCQGZ-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H]1CC[C@H](O)[C@H](CC(C)C)C1 ZINC000044470212 572241104 /nfs/dbraw/zinc/24/11/04/572241104.db2.gz KVBRNSXKTUYHFT-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H]1CC[C@@H](O)[C@H](CC(C)C)C1 ZINC000044470218 572241335 /nfs/dbraw/zinc/24/13/35/572241335.db2.gz KVBRNSXKTUYHFT-JHJVBQTASA-N 0 0 198.350 3.610 10 0 AHAERN Cc1ccc(Cl)cc1NC1CCC1 ZINC000044479817 343266315 /nfs/dbraw/zinc/26/63/15/343266315.db2.gz OFKQZHKDKZRBNS-UHFFFAOYSA-N 0 0 195.693 3.613 10 0 AHAERN Cc1ccc(NC2CCC2)cc1Cl ZINC000044479871 343266165 /nfs/dbraw/zinc/26/61/65/343266165.db2.gz JBYLYLHVHNIJNE-UHFFFAOYSA-N 0 0 195.693 3.613 10 0 AHAERN c1ccc2c(c1)cccc2NC1CCC1 ZINC000044479873 169477502 /nfs/dbraw/zinc/47/75/02/169477502.db2.gz NFSGLWNNLJGLHF-UHFFFAOYSA-N 0 0 197.281 3.804 10 0 AHAERN Cc1c(Cl)cccc1NC1CCC1 ZINC000044479926 343266703 /nfs/dbraw/zinc/26/67/03/343266703.db2.gz ATLHEEZPWIMGQN-UHFFFAOYSA-N 0 0 195.693 3.613 10 0 AHAERN CC(C)c1ccccc1NC1CCC1 ZINC000044479961 171090575 /nfs/dbraw/zinc/09/05/75/171090575.db2.gz JKOFURTUVJIFMH-UHFFFAOYSA-N 0 0 189.302 3.774 10 0 AHAERN CC(C)c1ccc(NC2CCC2)cc1 ZINC000044480005 343266835 /nfs/dbraw/zinc/26/68/35/343266835.db2.gz ZTQFFPWLTGKGGB-UHFFFAOYSA-N 0 0 189.302 3.774 10 0 AHAERN Cc1cc(Cl)ccc1NC1CCC1 ZINC000044480200 168761680 /nfs/dbraw/zinc/76/16/80/168761680.db2.gz WZFSKIUJLWMVHY-UHFFFAOYSA-N 0 0 195.693 3.613 10 0 AHAERN CC(C)c1cccc(NC2CCC2)c1 ZINC000044480355 171090753 /nfs/dbraw/zinc/09/07/53/171090753.db2.gz XWESQCWLBIOTRY-UHFFFAOYSA-N 0 0 189.302 3.774 10 0 AHAERN Cc1ccc(NC2CCC2)c(Cl)c1 ZINC000044480550 343266649 /nfs/dbraw/zinc/26/66/49/343266649.db2.gz CYESJFOPVDUMTE-UHFFFAOYSA-N 0 0 195.693 3.613 10 0 AHAERN CCCc1ccccc1NC1CCC1 ZINC000044481014 167107830 /nfs/dbraw/zinc/10/78/30/167107830.db2.gz NABVCEJZPOXBCJ-UHFFFAOYSA-N 0 0 189.302 3.604 10 0 AHAERN Cc1cc(C)c(NC2CCC2)c(C)c1 ZINC000044481740 343266717 /nfs/dbraw/zinc/26/67/17/343266717.db2.gz KMHRUDMVFCOTKJ-UHFFFAOYSA-N 0 0 189.302 3.576 10 0 AHAERN CCc1cccc(C)c1NC1CCC1 ZINC000044481741 572426207 /nfs/dbraw/zinc/42/62/07/572426207.db2.gz YLZVSKBHQONBAR-UHFFFAOYSA-N 0 0 189.302 3.522 10 0 AHAERN Cc1csc2cc(Cl)ccc12 ZINC000044564062 572449108 /nfs/dbraw/zinc/44/91/08/572449108.db2.gz RUSTZXQYPNFIRQ-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN CC[C@H](O)C1CCC(C(C)(C)C)CC1 ZINC000044709713 572475081 /nfs/dbraw/zinc/47/50/81/572475081.db2.gz MOIDOWNIRCVQFD-MCIGGMRASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](O)C1CCC(C(C)(C)C)CC1 ZINC000044709714 572474520 /nfs/dbraw/zinc/47/45/20/572474520.db2.gz MOIDOWNIRCVQFD-HTAVTVPLSA-N 0 0 198.350 3.610 10 0 AHAERN Cc1cc(CCC(C)(C)C)ccc1N ZINC000044857567 572485267 /nfs/dbraw/zinc/48/52/67/572485267.db2.gz NAFZRZSREFNEGW-UHFFFAOYSA-N 0 0 191.318 3.556 10 0 AHAERN C[C@@H]1CCC[C@H](C(=O)C2CCCC2)C1 ZINC000044979488 572501339 /nfs/dbraw/zinc/50/13/39/572501339.db2.gz DAXHKFPZRGJGLV-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@H](C(=O)C2CCCC2)C1 ZINC000044979491 168611918 /nfs/dbraw/zinc/61/19/18/168611918.db2.gz DAXHKFPZRGJGLV-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@@H]1CCC[C@@H](C(=O)C2CCCC2)C1 ZINC000044979494 572498419 /nfs/dbraw/zinc/49/84/19/572498419.db2.gz DAXHKFPZRGJGLV-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@@H](C(=O)C2CCCC2)C1 ZINC000044979497 572500881 /nfs/dbraw/zinc/50/08/81/572500881.db2.gz DAXHKFPZRGJGLV-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CC1CCC(C(=O)C2CCCC2)CC1 ZINC000044983341 166743869 /nfs/dbraw/zinc/74/38/69/166743869.db2.gz HYYXBKQXKRWAHL-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN CCC1CCC(Cn2cccc2)CC1 ZINC000045007326 572505118 /nfs/dbraw/zinc/50/51/18/572505118.db2.gz IETCYGSLRABXPO-UHFFFAOYSA-N 0 0 191.318 3.705 10 0 AHAERN CC(C)c1ccc(Cn2cccc2)cc1 ZINC000045046520 573945693 /nfs/dbraw/zinc/94/56/93/573945693.db2.gz QFFDJYPEDDERGY-UHFFFAOYSA-N 0 0 199.297 3.660 10 0 AHAERN Cc1ccc(C)n1C1(C)CCCCC1 ZINC000045046522 572503121 /nfs/dbraw/zinc/50/31/21/572503121.db2.gz OPKSEICELMEVDL-UHFFFAOYSA-N 0 0 191.318 3.784 10 0 AHAERN CCc1nc2c(cccc2Cl)s1 ZINC000045235846 343271714 /nfs/dbraw/zinc/27/17/14/343271714.db2.gz FSMGJULVKPKREX-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN c1cc2cc3scnc3cc2s1 ZINC000045236225 572523512 /nfs/dbraw/zinc/52/35/12/572523512.db2.gz BHGBVROSEZESST-UHFFFAOYSA-N 0 0 191.280 3.511 10 0 AHAERN Cc1nc2c(s1)c(Cl)ccc2C ZINC000045236887 168953663 /nfs/dbraw/zinc/95/36/63/168953663.db2.gz GMMMPBJYRWSSHH-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN Cc1nc2c(ccc(Cl)c2C)s1 ZINC000045236888 343271593 /nfs/dbraw/zinc/27/15/93/343271593.db2.gz BJVQVGMXNPQBMK-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN CCc1nc2cc(Cl)ccc2s1 ZINC000045236933 343271791 /nfs/dbraw/zinc/27/17/91/343271791.db2.gz FHNDWGLSMGUUPO-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN Cc1nc2ccc(C(C)C)cc2s1 ZINC000045237087 343271795 /nfs/dbraw/zinc/27/17/95/343271795.db2.gz VIYIYGNVHSOXKC-UHFFFAOYSA-N 0 0 191.299 3.728 10 0 AHAERN Cc1nc2c(cc(Cl)cc2C)s1 ZINC000045237118 343271675 /nfs/dbraw/zinc/27/16/75/343271675.db2.gz RZDWUPZUFYXDOJ-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN c1cc2ccc3ncsc3c2s1 ZINC000045237326 572521334 /nfs/dbraw/zinc/52/13/34/572521334.db2.gz OMLSVERONWZGEC-UHFFFAOYSA-N 0 0 191.280 3.511 10 0 AHAERN CCCCc1ccc2scnc2c1 ZINC000045237477 343271656 /nfs/dbraw/zinc/27/16/56/343271656.db2.gz RTXMMELNQPTRPE-UHFFFAOYSA-N 0 0 191.299 3.639 10 0 AHAERN FC(F)=Cc1nc2ccccc2s1 ZINC000045237632 169074160 /nfs/dbraw/zinc/07/41/60/169074160.db2.gz OHHAUCJSYPGVLY-UHFFFAOYSA-N 0 0 197.209 3.534 10 0 AHAERN CCc1nc2ccc(Cl)cc2s1 ZINC000045238015 343272137 /nfs/dbraw/zinc/27/21/37/343272137.db2.gz JVCOJGPZLXNDBU-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN c1cc2c(ccc3ncsc32)s1 ZINC000045238048 572520664 /nfs/dbraw/zinc/52/06/64/572520664.db2.gz ZVHYUWAOAKDBHV-UHFFFAOYSA-N 0 0 191.280 3.511 10 0 AHAERN CC(C)=Cc1nc2ccccc2s1 ZINC000045238203 351543584 /nfs/dbraw/zinc/54/35/84/351543584.db2.gz VSTRENQRHHEUJJ-UHFFFAOYSA-N 0 0 189.283 3.720 10 0 AHAERN c1cc2cc3ncsc3cc2s1 ZINC000045238232 572522867 /nfs/dbraw/zinc/52/28/67/572522867.db2.gz WAEOJTDDTSARTB-UHFFFAOYSA-N 0 0 191.280 3.511 10 0 AHAERN c1cc2ccc3scnc3c2s1 ZINC000045238245 572522241 /nfs/dbraw/zinc/52/22/41/572522241.db2.gz CNNUAQWDSGNIRC-UHFFFAOYSA-N 0 0 191.280 3.511 10 0 AHAERN c1cc2c(ccc3scnc32)s1 ZINC000045238252 572521939 /nfs/dbraw/zinc/52/19/39/572521939.db2.gz FZNHTAGYQNWTKY-UHFFFAOYSA-N 0 0 191.280 3.511 10 0 AHAERN c1nc2c(ccc3cscc32)s1 ZINC000045238254 351543115 /nfs/dbraw/zinc/54/31/15/351543115.db2.gz NTJKBVNKGXCAGQ-UHFFFAOYSA-N 0 0 191.280 3.511 10 0 AHAERN Cc1ccc2c(=S)cc[nH]c2c1C ZINC000045928614 572246207 /nfs/dbraw/zinc/24/62/07/572246207.db2.gz BQIQHNMXARNDPF-UHFFFAOYSA-N 0 0 189.283 3.514 10 0 AHAERN Cc1ccsc1-c1ccccc1F ZINC000047204885 572595415 /nfs/dbraw/zinc/59/54/15/572595415.db2.gz VLJKNWWDNPZVDW-UHFFFAOYSA-N 0 0 192.258 3.863 10 0 AHAERN Cc1ccsc1-c1cccc(F)c1 ZINC000047204886 572595889 /nfs/dbraw/zinc/59/58/89/572595889.db2.gz ULJFBQSUBRCBAH-UHFFFAOYSA-N 0 0 192.258 3.863 10 0 AHAERN Cc1ccsc1-c1ccc(F)cc1 ZINC000047204887 343273126 /nfs/dbraw/zinc/27/31/26/343273126.db2.gz GHBOCNJIYVUPHM-UHFFFAOYSA-N 0 0 192.258 3.863 10 0 AHAERN Cc1ccc(-c2cccc(F)c2)s1 ZINC000047204889 168793481 /nfs/dbraw/zinc/79/34/81/168793481.db2.gz GNTFBJIWTWUKAQ-UHFFFAOYSA-N 0 0 192.258 3.863 10 0 AHAERN Cc1cc(-c2ccccc2)c(C)cc1N ZINC000047207212 571916869 /nfs/dbraw/zinc/91/68/69/571916869.db2.gz GMSGGNPGNMGMCN-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN CCCC(=O)CCCC(C)(C)C ZINC000049255498 574025109 /nfs/dbraw/zinc/02/51/09/574025109.db2.gz GQCWOOJGIPUHCK-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN CC(C)(C)CCCC(=O)C(C)(C)C ZINC000049255501 166350438 /nfs/dbraw/zinc/35/04/38/166350438.db2.gz IBCAKKGQNDKAII-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN CC(C)(C)CC[C@@H]1CCCCC1=O ZINC000049255526 166351955 /nfs/dbraw/zinc/35/19/55/166351955.db2.gz MVVWTTLOXTVHQI-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)(C)CC[C@H]1CCCCC1=O ZINC000049255529 166351185 /nfs/dbraw/zinc/35/11/85/166351185.db2.gz MVVWTTLOXTVHQI-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@@H](c1cccs1)n1cccc1 ZINC000049531912 572771115 /nfs/dbraw/zinc/77/11/15/572771115.db2.gz LDLYKGLDMHOUMU-JTQLQIEISA-N 0 0 191.299 3.549 10 0 AHAERN CC[C@H](c1cccs1)n1cccc1 ZINC000049531913 572769699 /nfs/dbraw/zinc/76/96/99/572769699.db2.gz LDLYKGLDMHOUMU-SNVBAGLBSA-N 0 0 191.299 3.549 10 0 AHAERN Cc1ccc(CC(C)(C)Cl)cc1 ZINC000049649432 168810364 /nfs/dbraw/zinc/81/03/64/168810364.db2.gz KVFMHKFPBPVQOT-UHFFFAOYSA-N 0 0 182.694 3.555 10 0 AHAERN Cc1cccc(CC(C)(C)Cl)c1 ZINC000049649433 572795854 /nfs/dbraw/zinc/79/58/54/572795854.db2.gz FFMDIZBNPFFXDJ-UHFFFAOYSA-N 0 0 182.694 3.555 10 0 AHAERN Cc1ccccc1CC(C)(C)Cl ZINC000049649434 572793965 /nfs/dbraw/zinc/79/39/65/572793965.db2.gz FACVQWOTAIEJNE-UHFFFAOYSA-N 0 0 182.694 3.555 10 0 AHAERN Cc1ccc(CC(C)(C)Cl)cc1C ZINC000049649443 572797068 /nfs/dbraw/zinc/79/70/68/572797068.db2.gz OQPLPTPUXQAPHH-UHFFFAOYSA-N 0 0 196.721 3.863 10 0 AHAERN Cc1ccc(C)c(CC(C)(C)Cl)c1 ZINC000049649444 168804272 /nfs/dbraw/zinc/80/42/72/168804272.db2.gz YEAGQKUPFZLFIF-UHFFFAOYSA-N 0 0 196.721 3.863 10 0 AHAERN Cc1cnc2ccc(C(C)C)cc2c1 ZINC000049806005 572811453 /nfs/dbraw/zinc/81/14/53/572811453.db2.gz JDFLWEGYPDCOEM-UHFFFAOYSA-N 0 0 185.270 3.667 10 0 AHAERN Cc1cccc2cc(C(C)C)cnc12 ZINC000049806012 168880424 /nfs/dbraw/zinc/88/04/24/168880424.db2.gz INVHWKWDAFJPRE-UHFFFAOYSA-N 0 0 185.270 3.667 10 0 AHAERN Cc1ccc2cc(C(C)C)cnc2c1 ZINC000049806013 572809788 /nfs/dbraw/zinc/80/97/88/572809788.db2.gz RPGZBGQHJHDKTL-UHFFFAOYSA-N 0 0 185.270 3.667 10 0 AHAERN Cc1ccc2ncc(C(C)C)cc2c1 ZINC000049806014 168856973 /nfs/dbraw/zinc/85/69/73/168856973.db2.gz SGNHAUNLIFJZAM-UHFFFAOYSA-N 0 0 185.270 3.667 10 0 AHAERN CCc1cnc2c(c1)[C@@H](C)CC[C@H]2C ZINC000049806523 572809575 /nfs/dbraw/zinc/80/95/75/572809575.db2.gz ZLUXECOZOTXHHZ-VHSXEESVSA-N 0 0 189.302 3.645 10 0 AHAERN CCc1cnc2c(c1)[C@@H](C)CC[C@@H]2C ZINC000049806524 572809472 /nfs/dbraw/zinc/80/94/72/572809472.db2.gz ZLUXECOZOTXHHZ-UWVGGRQHSA-N 0 0 189.302 3.645 10 0 AHAERN CCc1cnc2c(c1)[C@H](C)CC[C@H]2C ZINC000049806525 572809836 /nfs/dbraw/zinc/80/98/36/572809836.db2.gz ZLUXECOZOTXHHZ-NXEZZACHSA-N 0 0 189.302 3.645 10 0 AHAERN CCc1cnc2c(c1)[C@H](C)CC[C@@H]2C ZINC000049806526 572809900 /nfs/dbraw/zinc/80/99/00/572809900.db2.gz ZLUXECOZOTXHHZ-ZJUUUORDSA-N 0 0 189.302 3.645 10 0 AHAERN CC(C)c1cnc2c(c1)CCC[C@H]2C ZINC000049806529 572811298 /nfs/dbraw/zinc/81/12/98/572811298.db2.gz FKVQFCZRGGUSPQ-SNVBAGLBSA-N 0 0 189.302 3.645 10 0 AHAERN CC(C)c1cnc2c(c1)CCC[C@@H]2C ZINC000049806530 572809650 /nfs/dbraw/zinc/80/96/50/572809650.db2.gz FKVQFCZRGGUSPQ-JTQLQIEISA-N 0 0 189.302 3.645 10 0 AHAERN CC(C)c1ccc([C@@H]2CCCO2)cc1 ZINC000049806618 572810136 /nfs/dbraw/zinc/81/01/36/572810136.db2.gz QRGNJNAWPAIITA-ZDUSSCGKSA-N 0 0 190.286 3.662 10 0 AHAERN CC(C)c1ccc([C@H]2CCCO2)cc1 ZINC000049806619 166632334 /nfs/dbraw/zinc/63/23/34/166632334.db2.gz QRGNJNAWPAIITA-CYBMUJFWSA-N 0 0 190.286 3.662 10 0 AHAERN Cc1cc(C(=O)CCC(C)C)c(C)o1 ZINC000049844626 573138536 /nfs/dbraw/zinc/13/85/36/573138536.db2.gz GWQKJNFARBPSPX-UHFFFAOYSA-N 0 0 194.274 3.515 10 0 AHAERN CCC[C@@H](C)C(=O)c1cc(C)oc1C ZINC000049844627 167029039 /nfs/dbraw/zinc/02/90/39/167029039.db2.gz MJBGBYVBPJBGMY-MRVPVSSYSA-N 0 0 194.274 3.515 10 0 AHAERN CCC[C@H](C)C(=O)c1cc(C)oc1C ZINC000049844628 167065043 /nfs/dbraw/zinc/06/50/43/167065043.db2.gz MJBGBYVBPJBGMY-QMMMGPOBSA-N 0 0 194.274 3.515 10 0 AHAERN CC[C@@H]1CC[C@H](O)[C@H](CC=C(C)C)C1 ZINC000049852456 572821753 /nfs/dbraw/zinc/82/17/53/572821753.db2.gz LBRDVXJLNZVEHA-UPJWGTAASA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@@H]1CC[C@@H](O)[C@H](CC=C(C)C)C1 ZINC000049852458 572820621 /nfs/dbraw/zinc/82/06/21/572820621.db2.gz LBRDVXJLNZVEHA-JHJVBQTASA-N 0 0 196.334 3.530 10 0 AHAERN CCCc1ccc(NC2CCC2)cc1 ZINC000049905629 167102708 /nfs/dbraw/zinc/10/27/08/167102708.db2.gz VUSGMIJRNGPBQP-UHFFFAOYSA-N 0 0 189.302 3.604 10 0 AHAERN CCCC[C@H](CC)[C@H](O)C1=CCCC1 ZINC000050329140 166924103 /nfs/dbraw/zinc/92/41/03/166924103.db2.gz ADQVQDHRGOTIRQ-AAEUAGOBSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)(C)C[C@H](O)C1=CCCCCC1 ZINC000050329544 572877624 /nfs/dbraw/zinc/87/76/24/572877624.db2.gz XEHKZKALYRTRAO-LBPRGKRZSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)(C)C[C@@H](O)C1=CCCCCC1 ZINC000050329545 572879847 /nfs/dbraw/zinc/87/98/47/572879847.db2.gz XEHKZKALYRTRAO-GFCCVEGCSA-N 0 0 196.334 3.674 10 0 AHAERN CCC[C@@H](CC)n1c(C)ccc1C ZINC000050407719 167040955 /nfs/dbraw/zinc/04/09/55/167040955.db2.gz GSOOAGRKBOFIMJ-GFCCVEGCSA-N 0 0 179.307 3.856 10 0 AHAERN CCC[C@H](CC)n1c(C)ccc1C ZINC000050407721 167075238 /nfs/dbraw/zinc/07/52/38/167075238.db2.gz GSOOAGRKBOFIMJ-LBPRGKRZSA-N 0 0 179.307 3.856 10 0 AHAERN CC[C@@H](C)CCC(=O)c1ccccc1 ZINC000050425956 167450572 /nfs/dbraw/zinc/45/05/72/167450572.db2.gz WVAYIPTZZWHQMM-LLVKDONJSA-N 0 0 190.286 3.696 10 0 AHAERN CC[C@@H](C)C[C@@H]1CCCCCC1=O ZINC000050426015 572891525 /nfs/dbraw/zinc/89/15/25/572891525.db2.gz KPZYALUNPSIYOR-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H](C)C[C@@H]1CCCCCC1=O ZINC000050426017 572892969 /nfs/dbraw/zinc/89/29/69/572892969.db2.gz KPZYALUNPSIYOR-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@@H](C)C[C@H]1CCCCCC1=O ZINC000050426018 572891423 /nfs/dbraw/zinc/89/14/23/572891423.db2.gz KPZYALUNPSIYOR-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H](C)C[C@H]1CCCCCC1=O ZINC000050426020 572890510 /nfs/dbraw/zinc/89/05/10/572890510.db2.gz KPZYALUNPSIYOR-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H](C)C[C@@H]1C[C@H](CC)CCC1=O ZINC000050426030 572252701 /nfs/dbraw/zinc/25/27/01/572252701.db2.gz GUGYHLRQSWHAPI-QJPTWQEYSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)C[C@H]1C[C@H](CC)CCC1=O ZINC000050426034 572252295 /nfs/dbraw/zinc/25/22/95/572252295.db2.gz GUGYHLRQSWHAPI-TUAOUCFPSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)C[C@@H]1C[C@H](CC)CC[C@@H]1O ZINC000050428169 571672475 /nfs/dbraw/zinc/67/24/75/571672475.db2.gz VHCOGJFXNAFKNJ-LOWDOPEQSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C[C@@H]1C[C@@H](CC)CC[C@@H]1O ZINC000050428171 573421892 /nfs/dbraw/zinc/42/18/92/573421892.db2.gz VHCOGJFXNAFKNJ-RVMXOQNASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C[C@@H]1C[C@H](CC)CC[C@H]1O ZINC000050428172 571673890 /nfs/dbraw/zinc/67/38/90/571673890.db2.gz VHCOGJFXNAFKNJ-UMSGYPCISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C[C@@H]1C[C@@H](CC)CC[C@H]1O ZINC000050428174 571673496 /nfs/dbraw/zinc/67/34/96/571673496.db2.gz VHCOGJFXNAFKNJ-WUHRBBMRSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@@H](C)n1c(C)ccc1C ZINC000050890644 573305092 /nfs/dbraw/zinc/30/50/92/573305092.db2.gz ASAFVFAAHCAVGK-SNVBAGLBSA-N 0 0 179.307 3.856 10 0 AHAERN CCCC[C@H](C)n1c(C)ccc1C ZINC000050890645 166924710 /nfs/dbraw/zinc/92/47/10/166924710.db2.gz ASAFVFAAHCAVGK-JTQLQIEISA-N 0 0 179.307 3.856 10 0 AHAERN CCC[C@@H](C)CCC(=O)C(C)(C)C ZINC000051321805 167030121 /nfs/dbraw/zinc/03/01/21/167030121.db2.gz SYOMEIIOMMFXME-SNVBAGLBSA-N 0 0 184.323 3.818 10 0 AHAERN CCC[C@H](C)CCC(=O)C(C)(C)C ZINC000051321807 167064280 /nfs/dbraw/zinc/06/42/80/167064280.db2.gz SYOMEIIOMMFXME-JTQLQIEISA-N 0 0 184.323 3.818 10 0 AHAERN CCC[C@@H](C)C[C@@H]1CCCCCC1=O ZINC000051321833 167032553 /nfs/dbraw/zinc/03/25/53/167032553.db2.gz VHOBYNRMWYZQIO-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@H](C)C[C@@H]1CCCCCC1=O ZINC000051321835 167067562 /nfs/dbraw/zinc/06/75/62/167067562.db2.gz VHOBYNRMWYZQIO-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@@H](C)C[C@H]1CCCCCC1=O ZINC000051321837 167033552 /nfs/dbraw/zinc/03/35/52/167033552.db2.gz VHOBYNRMWYZQIO-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@H](C)C[C@H]1CCCCCC1=O ZINC000051321838 167068976 /nfs/dbraw/zinc/06/89/76/167068976.db2.gz VHOBYNRMWYZQIO-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@H](C)C[C@@H]1C[C@H](C)CCC1=O ZINC000051321841 571672952 /nfs/dbraw/zinc/67/29/52/571672952.db2.gz GWMFUZWVFSPHBQ-QJPTWQEYSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H](C)C[C@@H]1CCCCC[C@@H]1O ZINC000051323686 167031435 /nfs/dbraw/zinc/03/14/35/167031435.db2.gz HVXVSXUJMQWWJK-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@@H]1CCCCC[C@@H]1O ZINC000051323687 167067005 /nfs/dbraw/zinc/06/70/05/167067005.db2.gz HVXVSXUJMQWWJK-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)C[C@H]1CCCCC[C@@H]1O ZINC000051323689 167032866 /nfs/dbraw/zinc/03/28/66/167032866.db2.gz HVXVSXUJMQWWJK-UPJWGTAASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@H]1CCCCC[C@@H]1O ZINC000051323691 167066768 /nfs/dbraw/zinc/06/67/68/167066768.db2.gz HVXVSXUJMQWWJK-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000051323702 571672930 /nfs/dbraw/zinc/67/29/30/571672930.db2.gz QFPCMGHTRFONHM-LOWDOPEQSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)CNc1c(C)cccc1C ZINC000051753971 167456680 /nfs/dbraw/zinc/45/66/80/167456680.db2.gz ZQNCYPJKJVEJHY-SNVBAGLBSA-N 0 0 191.318 3.761 10 0 AHAERN CC[C@H](C)CNc1c(C)cccc1C ZINC000051753973 572978679 /nfs/dbraw/zinc/97/86/79/572978679.db2.gz ZQNCYPJKJVEJHY-JTQLQIEISA-N 0 0 191.318 3.761 10 0 AHAERN CCCNc1c(CC)cccc1CC ZINC000051787599 167005955 /nfs/dbraw/zinc/00/59/55/167005955.db2.gz WHAWRBXZENUBAX-UHFFFAOYSA-N 0 0 191.318 3.633 10 0 AHAERN O[C@H]1CCCCC[C@H]1C1CCCCC1 ZINC000053751558 572540433 /nfs/dbraw/zinc/54/04/33/572540433.db2.gz XMVODDBYMRSNTA-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN O[C@H]1CCCCC[C@@H]1C1CCCCC1 ZINC000053751559 572541418 /nfs/dbraw/zinc/54/14/18/572541418.db2.gz XMVODDBYMRSNTA-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H]1CCCCC[C@H]1C1CCCCC1 ZINC000053751561 572538974 /nfs/dbraw/zinc/53/89/74/572538974.db2.gz XMVODDBYMRSNTA-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H]1CCCCC[C@@H]1C1CCCCC1 ZINC000053751563 572540549 /nfs/dbraw/zinc/54/05/49/572540549.db2.gz XMVODDBYMRSNTA-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN O=C(CC1CCCC1)c1ccsc1 ZINC000053764207 343316420 /nfs/dbraw/zinc/31/64/20/343316420.db2.gz UKTOJQSEPAFKBI-UHFFFAOYSA-N 0 0 194.299 3.511 10 0 AHAERN CCCCCC(=O)c1cccc(C)c1 ZINC000053765552 343316214 /nfs/dbraw/zinc/31/62/14/343316214.db2.gz TWNPDBWYWNMKDY-UHFFFAOYSA-N 0 0 190.286 3.758 10 0 AHAERN CCC[C@@H](C)CC(=O)C1CCCCC1 ZINC000053765890 572542550 /nfs/dbraw/zinc/54/25/50/572542550.db2.gz YHYAWSMXRXBGHO-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)CCC(=O)CC1CCCCC1 ZINC000053779325 571682060 /nfs/dbraw/zinc/68/20/60/571682060.db2.gz WZZDEMNGKNUMHT-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000053779978 166848284 /nfs/dbraw/zinc/84/82/84/166848284.db2.gz CIMNQACMPKQABF-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@H](C)CC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000053780104 571688294 /nfs/dbraw/zinc/68/82/94/571688294.db2.gz ZPRQXQYNYGHXOK-SDDRHHMPSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)CC(=O)[C@H]1CCC[C@H](C)C1 ZINC000053780108 571688192 /nfs/dbraw/zinc/68/81/92/571688192.db2.gz ZPRQXQYNYGHXOK-SRVKXCTJSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCCC[C@@H](O)c1cccs1 ZINC000053782087 343316290 /nfs/dbraw/zinc/31/62/90/343316290.db2.gz IJBWBLNGYCDBBE-SNVBAGLBSA-N 0 0 198.331 3.752 10 0 AHAERN CCCCC[C@H](O)C1CCCCC1 ZINC000053784529 343316674 /nfs/dbraw/zinc/31/66/74/343316674.db2.gz YOGRLTXNCLHZFR-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@@H](O)C1CCCCC1 ZINC000053784530 343316602 /nfs/dbraw/zinc/31/66/02/343316602.db2.gz YOGRLTXNCLHZFR-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN O[C@H](CC1CCCC1)C1CCCCC1 ZINC000053784573 572545620 /nfs/dbraw/zinc/54/56/20/572545620.db2.gz KPXCDXMHXLFIOU-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H](CC1CCCC1)C1CCCCC1 ZINC000053784574 572545326 /nfs/dbraw/zinc/54/53/26/572545326.db2.gz KPXCDXMHXLFIOU-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H](CC1CCCCC1)C1CCCC1 ZINC000053785265 572547986 /nfs/dbraw/zinc/54/79/86/572547986.db2.gz BDHVPFAWOBSMFA-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@H](CC1CCCCC1)C1CCCC1 ZINC000053785266 572547796 /nfs/dbraw/zinc/54/77/96/572547796.db2.gz BDHVPFAWOBSMFA-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CCCCC[C@H](O)[C@@H]1CCC[C@H](C)C1 ZINC000053787050 571677830 /nfs/dbraw/zinc/67/78/30/571677830.db2.gz NDLYZXILMVOEOB-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@H](O)[C@H]1CCC[C@H](C)C1 ZINC000053787052 571677699 /nfs/dbraw/zinc/67/76/99/571677699.db2.gz NDLYZXILMVOEOB-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@H](O)[C@@H]1CCC[C@H](C)C1 ZINC000053787095 571675864 /nfs/dbraw/zinc/67/58/64/571675864.db2.gz XAJXVXOYAFRECI-RVMXOQNASA-N 0 0 198.350 3.610 10 0 AHAERN Cc1cc(C)c2c(c1)[nH]ccc2=S ZINC000053994855 343317227 /nfs/dbraw/zinc/31/72/27/343317227.db2.gz WSBDBCDRXPANRE-UHFFFAOYSA-N 0 0 189.283 3.514 10 0 AHAERN CCC(C)(C)C(=O)c1ccc(C)s1 ZINC000054402078 343323004 /nfs/dbraw/zinc/32/30/04/343323004.db2.gz QIVWRJWFCKJMAA-UHFFFAOYSA-N 0 0 196.315 3.675 10 0 AHAERN CCC(C)(C)C(=O)c1sccc1C ZINC000054402191 343323166 /nfs/dbraw/zinc/32/31/66/343323166.db2.gz SZAWCRMWJDWYEO-UHFFFAOYSA-N 0 0 196.315 3.675 10 0 AHAERN CCC(C)(C)C(=O)c1cc(C)oc1C ZINC000054402196 343322875 /nfs/dbraw/zinc/32/28/75/343322875.db2.gz WGGLLVDYRMZSFX-UHFFFAOYSA-N 0 0 194.274 3.515 10 0 AHAERN CCC(C)(C)CNc1ccccc1 ZINC000054403080 572684870 /nfs/dbraw/zinc/68/48/70/572684870.db2.gz RDPKPJPVXIYNMP-UHFFFAOYSA-N 0 0 177.291 3.535 10 0 AHAERN CCC(C)(C)[C@H](O)c1ccc(C)s1 ZINC000054404012 343323351 /nfs/dbraw/zinc/32/33/51/343323351.db2.gz VULBHLBJYKZPDL-SNVBAGLBSA-N 0 0 198.331 3.526 10 0 AHAERN CCC(C)(C)[C@@H](O)c1ccc(C)s1 ZINC000054404013 343323348 /nfs/dbraw/zinc/32/33/48/343323348.db2.gz VULBHLBJYKZPDL-JTQLQIEISA-N 0 0 198.331 3.526 10 0 AHAERN CCC(C)(C)[C@H](O)c1sccc1C ZINC000054404170 343323456 /nfs/dbraw/zinc/32/34/56/343323456.db2.gz NIJLLZXUTXRVPQ-SNVBAGLBSA-N 0 0 198.331 3.526 10 0 AHAERN CCC(C)(C)[C@@H](O)c1sccc1C ZINC000054404171 343323250 /nfs/dbraw/zinc/32/32/50/343323250.db2.gz NIJLLZXUTXRVPQ-JTQLQIEISA-N 0 0 198.331 3.526 10 0 AHAERN CC(C)CC1(O)CCC(C(C)C)CC1 ZINC000054557298 572700264 /nfs/dbraw/zinc/70/02/64/572700264.db2.gz NUUBEIIPMHDDMJ-UHFFFAOYSA-N 0 0 198.350 3.610 10 0 AHAERN C/C=C/C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054629813 572706925 /nfs/dbraw/zinc/70/69/25/572706925.db2.gz OXARSDRQDVILJV-GKUNOOHESA-N 0 0 194.318 3.594 10 0 AHAERN C/C=C/C[C@H]1C[C@H](C(C)C)CCC1=O ZINC000054629815 572705716 /nfs/dbraw/zinc/70/57/16/572705716.db2.gz OXARSDRQDVILJV-RVAOTSRCSA-N 0 0 194.318 3.594 10 0 AHAERN C/C=C/C[C@@H]1C[C@@H](C(C)C)CCC1=O ZINC000054629817 572707593 /nfs/dbraw/zinc/70/75/93/572707593.db2.gz OXARSDRQDVILJV-RUULKOMLSA-N 0 0 194.318 3.594 10 0 AHAERN C/C=C/C[C@H]1C[C@@H](C(C)C)CCC1=O ZINC000054629819 572705769 /nfs/dbraw/zinc/70/57/69/572705769.db2.gz OXARSDRQDVILJV-XMXMHJJKSA-N 0 0 194.318 3.594 10 0 AHAERN CC(C)C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054629852 572705220 /nfs/dbraw/zinc/70/52/20/572705220.db2.gz SIKIUTYYTXGKDN-VXGBXAGGSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H]1C[C@H](C(C)C)CCC1=O ZINC000054629854 572706187 /nfs/dbraw/zinc/70/61/87/572706187.db2.gz SIKIUTYYTXGKDN-NEPJUHHUSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@@H]1C[C@@H](C(C)C)CCC1=O ZINC000054629856 572707411 /nfs/dbraw/zinc/70/74/11/572707411.db2.gz SIKIUTYYTXGKDN-NWDGAFQWSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H]1C[C@@H](C(C)C)CCC1=O ZINC000054629858 572705593 /nfs/dbraw/zinc/70/55/93/572705593.db2.gz SIKIUTYYTXGKDN-RYUDHWBXSA-N 0 0 196.334 3.674 10 0 AHAERN Cc1cc2cccc(C)cc-2c1C ZINC000054649287 572706852 /nfs/dbraw/zinc/70/68/52/572706852.db2.gz SUKAVBUFDHKUKZ-UHFFFAOYSA-N 0 0 170.255 3.717 10 0 AHAERN CCC1CCC(CC)CC1 ZINC000059069292 572963874 /nfs/dbraw/zinc/96/38/74/572963874.db2.gz SMAKEJNOUFLEEJ-UHFFFAOYSA-N 0 0 140.270 3.613 10 0 AHAERN CCc1ccccc1C(C)(C)C ZINC000059092354 343342267 /nfs/dbraw/zinc/34/22/67/343342267.db2.gz NKRAJTUTWBTQFT-UHFFFAOYSA-N 0 0 162.276 3.547 10 0 AHAERN C/C=C/c1c(C)cc(C)cc1C ZINC000059101218 343342175 /nfs/dbraw/zinc/34/21/75/343342175.db2.gz UTTPSVLHOJHKLA-AATRIKPKSA-N 0 0 160.260 3.645 10 0 AHAERN CCC(=Cc1ccccc1)CC ZINC000059111413 343342207 /nfs/dbraw/zinc/34/22/07/343342207.db2.gz DDBYLRWHHCWVID-UHFFFAOYSA-N 0 0 160.260 3.890 10 0 AHAERN CC(C)c1ccc(C2=CCC2)cc1 ZINC000059129467 572966880 /nfs/dbraw/zinc/96/68/80/572966880.db2.gz UGNANEBDRJWXPK-UHFFFAOYSA-N 0 0 172.271 3.987 10 0 AHAERN Cc1ccccc1-c1ccccc1F ZINC000059153976 343342658 /nfs/dbraw/zinc/34/26/58/343342658.db2.gz MSFNHNJJLZRLEX-UHFFFAOYSA-N 0 0 186.229 3.801 10 0 AHAERN C=Cc1ccc(C(C)(C)C)s1 ZINC000059164720 572966279 /nfs/dbraw/zinc/96/62/79/572966279.db2.gz MLGIQEXMKJTTMT-UHFFFAOYSA-N 0 0 166.289 3.689 10 0 AHAERN FC1=C(c2ccccc2)CCC1 ZINC000059188583 169076565 /nfs/dbraw/zinc/07/65/65/169076565.db2.gz RAQGFGXQOUUPQQ-UHFFFAOYSA-N 0 0 162.207 3.551 10 0 AHAERN CC(C)(C)CCc1ccccc1 ZINC000059192961 166350889 /nfs/dbraw/zinc/35/08/89/166350889.db2.gz NKDJZTYRVIGJCG-UHFFFAOYSA-N 0 0 162.276 3.665 10 0 AHAERN CC(C)[C@]1(C)Nc2ccccc2S1 ZINC000059220266 572967585 /nfs/dbraw/zinc/96/75/85/572967585.db2.gz HUILGONQIUIWQT-LLVKDONJSA-N 0 0 193.315 3.576 10 0 AHAERN CC(C)c1cccc2cccc-2c1 ZINC000059227981 343343425 /nfs/dbraw/zinc/34/34/25/343343425.db2.gz DIRVKNYGBKMFEJ-UHFFFAOYSA-N 0 0 170.255 3.915 10 0 AHAERN Cc1ccccc1CCC(C)C ZINC000059290732 171197153 /nfs/dbraw/zinc/19/71/53/171197153.db2.gz WPSVFYJNYKKGGW-UHFFFAOYSA-N 0 0 162.276 3.584 10 0 AHAERN Cc1c(N=O)ccc(N=O)c1C(C)C ZINC000059379819 572970472 /nfs/dbraw/zinc/97/04/72/572970472.db2.gz DSRVDUIRBITVRG-UHFFFAOYSA-N 0 0 192.218 3.914 10 0 AHAERN Cc1cccc(Oc2ccccc2)c1 ZINC000059447953 343345120 /nfs/dbraw/zinc/34/51/20/343345120.db2.gz PHUYHWPEGYLWDW-UHFFFAOYSA-N 0 0 183.230 3.661 10 0 AHAERN CC(C)c1cccc(O)c1C(C)(C)C ZINC000059450227 171101842 /nfs/dbraw/zinc/10/18/42/171101842.db2.gz JWLPJEOMNVPZHU-UHFFFAOYSA-N 0 0 192.302 3.813 10 0 AHAERN Cc1c(Cl)ssc1=S ZINC000059520048 572974515 /nfs/dbraw/zinc/97/45/15/572974515.db2.gz FXGZWOUTKFWWDJ-UHFFFAOYSA-N 0 0 182.722 3.501 10 0 AHAERN CC[C@@H](C)CCc1ccccc1 ZINC000059586675 371638005 /nfs/dbraw/zinc/63/80/05/371638005.db2.gz PVXCNEZDIJHZQB-LLVKDONJSA-N 0 0 162.276 3.665 10 0 biogenic,in-vitro AHAERN CCc1cc(Cl)ccc1Cl ZINC000059657782 371637997 /nfs/dbraw/zinc/63/79/97/371637997.db2.gz PZPSDDYNMXBZOA-UHFFFAOYSA-N 0 0 175.058 3.556 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1CC ZINC000059670062 343346824 /nfs/dbraw/zinc/34/68/24/343346824.db2.gz GQDRGBVPGCYTNU-AOOOYVTPSA-N 0 0 140.270 3.613 10 0 AHAERN CC(C)c1cc(Cl)nc(Cl)c1 ZINC000059682707 343346688 /nfs/dbraw/zinc/34/66/88/343346688.db2.gz RAWJXHNFJMZNDF-UHFFFAOYSA-N 0 0 190.073 3.512 10 0 AHAERN C=C/C=C/C=C\C/C=C\CC ZINC000059727388 571967834 /nfs/dbraw/zinc/96/78/34/571967834.db2.gz JXRWPVZILDJGFO-PWYDJTSCSA-N 0 0 148.249 3.641 10 0 AHAERN CSc1c[nH]c2ccc(Cl)cc12 ZINC000059872535 168308994 /nfs/dbraw/zinc/30/89/94/168308994.db2.gz GOYGZCJTYPLCHG-UHFFFAOYSA-N 0 0 197.690 3.543 10 0 AHAERN C=Cc1ccccc1C(C)(C)C ZINC000059882270 171102222 /nfs/dbraw/zinc/10/22/22/171102222.db2.gz LUECERFWADIZPD-UHFFFAOYSA-N 0 0 160.260 3.627 10 0 AHAERN C/C(=C/c1ccccc1)C(C)C ZINC000059904683 343348630 /nfs/dbraw/zinc/34/86/30/343348630.db2.gz SWZXRRSYEPARQZ-LUAWRHEFSA-N 0 0 160.260 3.746 10 0 AHAERN Cc1ccccc1-c1ccc(F)cc1 ZINC000059975227 343349893 /nfs/dbraw/zinc/34/98/93/343349893.db2.gz FJYWQZHPTCPATB-UHFFFAOYSA-N 0 0 186.229 3.801 10 0 AHAERN CCC(C)(C)c1ccc(C(C)=O)cc1 ZINC000060025496 343349878 /nfs/dbraw/zinc/34/98/78/343349878.db2.gz PGZYJEQPOZIRSP-UHFFFAOYSA-N 0 0 190.286 3.577 10 0 AHAERN CCc1cc(C(C)C)cc(CC)c1N ZINC000060068796 572334242 /nfs/dbraw/zinc/33/42/42/572334242.db2.gz IZUJQMBRINGEKW-UHFFFAOYSA-N 0 0 191.318 3.517 10 0 AHAERN C/C=C/CCc1ccc(C)cc1 ZINC000060109751 572043698 /nfs/dbraw/zinc/04/36/98/572043698.db2.gz MUHKIWBIYGOXLC-ONEGZZNKSA-N 0 0 160.260 3.504 10 0 AHAERN CCCc1c(O)c(C)ccc1C(C)C ZINC000060111844 572338237 /nfs/dbraw/zinc/33/82/37/572338237.db2.gz XLIMHCKVSLEVBL-UHFFFAOYSA-N 0 0 192.302 3.777 10 0 AHAERN CCC[C@@H](C)c1ccccc1C ZINC000060115920 325603982 /nfs/dbraw/zinc/60/39/82/325603982.db2.gz HCLCWUHUZXMADR-SNVBAGLBSA-N 0 0 162.276 3.899 10 0 AHAERN CCC[C@H](C)c1ccccc1C ZINC000060115922 325603978 /nfs/dbraw/zinc/60/39/78/325603978.db2.gz HCLCWUHUZXMADR-JTQLQIEISA-N 0 0 162.276 3.899 10 0 AHAERN Cc1cc2ccsc2c(C)c1C ZINC000060257833 572339838 /nfs/dbraw/zinc/33/98/38/572339838.db2.gz DKVPHTXRBVZPKA-UHFFFAOYSA-N 0 0 176.284 3.827 10 0 AHAERN CCC(C)(C)C1CCC([C@@H](C)O)CC1 ZINC000060268986 572342171 /nfs/dbraw/zinc/34/21/71/572342171.db2.gz RTVLLGINGJNVOU-VOMCLLRMSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)C1CCC([C@H](C)O)CC1 ZINC000060268987 572340050 /nfs/dbraw/zinc/34/00/50/572340050.db2.gz RTVLLGINGJNVOU-UNXYVOJBSA-N 0 0 198.350 3.610 10 0 AHAERN C=C/C=C\C=C/CCCCC ZINC000060292644 166142155 /nfs/dbraw/zinc/14/21/55/166142155.db2.gz JQQDKNVOSLONRS-CXHWBCNXSA-N 0 0 150.265 3.865 10 0 AHAERN Cc1cc(NCCC(C)C)ccc1F ZINC000061096766 572424108 /nfs/dbraw/zinc/42/41/08/572424108.db2.gz IRGGATFWFOZHHI-UHFFFAOYSA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@@H](C)CNc1ccc(F)c(C)c1 ZINC000061097551 572423765 /nfs/dbraw/zinc/42/37/65/572423765.db2.gz VBLWNWUVGFAOMF-SECBINFHSA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@H](C)CNc1ccc(F)c(C)c1 ZINC000061097552 572424125 /nfs/dbraw/zinc/42/41/25/572424125.db2.gz VBLWNWUVGFAOMF-VIFPVBQESA-N 0 0 195.281 3.592 10 0 AHAERN CCc1nc2cccc(C(C)C)c2o1 ZINC000062520629 167777625 /nfs/dbraw/zinc/77/76/25/167777625.db2.gz DVGVZFCCFVZVAF-UHFFFAOYSA-N 0 0 189.258 3.514 10 0 AHAERN C[C@@H](C(=O)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000062720570 572509228 /nfs/dbraw/zinc/50/92/28/572509228.db2.gz SWIXGNLWQQAPRF-AOOOYVTPSA-N 0 0 198.350 3.920 10 0 AHAERN C[C@@H](C(=O)[C@H](C)C(C)(C)C)C(C)(C)C ZINC000062720576 168330138 /nfs/dbraw/zinc/33/01/38/168330138.db2.gz SWIXGNLWQQAPRF-UWVGGRQHSA-N 0 0 198.350 3.920 10 0 AHAERN CCCCCC(=O)c1ccccc1F ZINC000062773914 343379517 /nfs/dbraw/zinc/37/95/17/343379517.db2.gz PEQYQQAAEZAJPQ-UHFFFAOYSA-N 0 0 194.249 3.589 10 0 AHAERN Cc1cc(C)cc(-c2ccccc2O)c1 ZINC000065339925 168743385 /nfs/dbraw/zinc/74/33/85/168743385.db2.gz INHZWCFILOKHEJ-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN Cc1cc(C)cc(-c2cccc(O)c2)c1 ZINC000065339926 168742698 /nfs/dbraw/zinc/74/26/98/168742698.db2.gz KJXJOHGNZYNBGG-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN Cc1cc(O)cc(-c2ccccc2C)c1 ZINC000065340210 168774060 /nfs/dbraw/zinc/77/40/60/168774060.db2.gz XWMDCXMTRBFLEF-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN Cc1cccc(-c2ccc(O)c(C)c2)c1 ZINC000065340211 168859694 /nfs/dbraw/zinc/85/96/94/168859694.db2.gz URLFMRIVRXGQOI-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN Cc1cccc(-c2ccc(C)c(O)c2)c1 ZINC000065340212 168858639 /nfs/dbraw/zinc/85/86/39/168858639.db2.gz LKBDRAPCWBZWJH-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN Cc1cccc(-c2cc(C)cc(O)c2)c1 ZINC000065340213 168858299 /nfs/dbraw/zinc/85/82/99/168858299.db2.gz YEJRQRBLSBFFHH-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN Cc1ccc(-c2cccc(F)c2)cc1 ZINC000066314809 343409505 /nfs/dbraw/zinc/40/95/05/343409505.db2.gz BGVOIDLAUFLERQ-UHFFFAOYSA-N 0 0 186.229 3.801 10 0 AHAERN Cc1ccc(Cc2ccccc2)c(C)c1 ZINC000066325003 343409969 /nfs/dbraw/zinc/40/99/69/343409969.db2.gz CVAMMFFQVDUIEX-UHFFFAOYSA-N 0 0 196.293 3.894 10 0 AHAERN CCCCCCC(F)(F)F ZINC000066368060 166849554 /nfs/dbraw/zinc/84/95/54/166849554.db2.gz JWNUWKGVARYVKY-UHFFFAOYSA-N 0 0 154.175 3.519 10 0 AHAERN CC/C=C(/CC)c1ccccc1 ZINC000066377892 343410461 /nfs/dbraw/zinc/41/04/61/343410461.db2.gz VXSDBQWRBMLKRL-FLIBITNWSA-N 0 0 160.260 3.890 10 0 AHAERN Clc1ccc(C=C2CC2)cc1 ZINC000067734111 343410737 /nfs/dbraw/zinc/41/07/37/343410737.db2.gz CPAJPJITPOUPAT-UHFFFAOYSA-N 0 0 164.635 3.517 10 0 AHAERN Cl/C=C/c1ccccc1Cl ZINC000067738077 169016216 /nfs/dbraw/zinc/01/62/16/169016216.db2.gz XKPCIGDIOQKJEB-AATRIKPKSA-N 0 0 173.042 3.550 10 0 AHAERN Clc1ccccc1C=C1CC1 ZINC000068575722 169025291 /nfs/dbraw/zinc/02/52/91/169025291.db2.gz FCKBJXZPGZCDPF-UHFFFAOYSA-N 0 0 164.635 3.517 10 0 AHAERN C1CC2CCC1C2C1C2CCC1CC2 ZINC000068576434 343411662 /nfs/dbraw/zinc/41/16/62/343411662.db2.gz ZCHBCCYHPMDWBS-UHFFFAOYSA-N 0 0 190.330 3.859 10 0 AHAERN CCCCCCC(=O)CC(C)(C)C ZINC000068847905 571997854 /nfs/dbraw/zinc/99/78/54/571997854.db2.gz LGVFBFVMFTZFDK-UHFFFAOYSA-N 0 0 184.323 3.962 10 0 AHAERN Cc1cn(CC2CCCC2)c(C)c1C ZINC000068944372 343416109 /nfs/dbraw/zinc/41/61/09/343416109.db2.gz IBTMNPLKYFNRDA-UHFFFAOYSA-N 0 0 191.318 3.604 10 0 AHAERN Cc1cn(CCC(C)(C)C)c(C)c1C ZINC000068944437 572451638 /nfs/dbraw/zinc/45/16/38/572451638.db2.gz YLOSTHGKXPBTJE-UHFFFAOYSA-N 0 0 193.334 3.850 10 0 AHAERN CC(C)CC[C@@H](C)n1cc[nH]c1=S ZINC000068945218 572005060 /nfs/dbraw/zinc/00/50/60/572005060.db2.gz CIHBCFOTNRMRIO-SECBINFHSA-N 0 0 198.335 3.543 10 0 AHAERN CC(C)CC[C@H](C)n1cc[nH]c1=S ZINC000068945220 572004272 /nfs/dbraw/zinc/00/42/72/572004272.db2.gz CIHBCFOTNRMRIO-VIFPVBQESA-N 0 0 198.335 3.543 10 0 AHAERN CCCCCC[C@H](O)CC(C)(C)C ZINC000069630065 572127343 /nfs/dbraw/zinc/12/73/43/572127343.db2.gz COHKEFKAUZSMRO-NSHDSACASA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCC[C@@H](O)CC(C)(C)C ZINC000069630067 572125544 /nfs/dbraw/zinc/12/55/44/572125544.db2.gz COHKEFKAUZSMRO-LLVKDONJSA-N 0 0 186.339 3.754 10 0 AHAERN CC[C@@H](CC1CC1)n1c(C)ccc1C ZINC000069669649 572131791 /nfs/dbraw/zinc/13/17/91/572131791.db2.gz PKWUSUQTKUZAHU-ZDUSSCGKSA-N 0 0 191.318 3.856 10 0 AHAERN CC[C@H](CC1CC1)n1c(C)ccc1C ZINC000069669654 572131549 /nfs/dbraw/zinc/13/15/49/572131549.db2.gz PKWUSUQTKUZAHU-CYBMUJFWSA-N 0 0 191.318 3.856 10 0 AHAERN Cc1ccc(C(=O)[C@@H](C)C(C)C)s1 ZINC000069685494 343434178 /nfs/dbraw/zinc/43/41/78/343434178.db2.gz CSAZUGAWYIMGEG-VIFPVBQESA-N 0 0 196.315 3.531 10 0 AHAERN Cc1ccc(C(=O)[C@H](C)C(C)C)s1 ZINC000069685496 343434345 /nfs/dbraw/zinc/43/43/45/343434345.db2.gz CSAZUGAWYIMGEG-SECBINFHSA-N 0 0 196.315 3.531 10 0 AHAERN Cc1ccsc1C(=O)[C@@H](C)C(C)C ZINC000069685635 343434249 /nfs/dbraw/zinc/43/42/49/343434249.db2.gz GHGONBYBJFCCDE-VIFPVBQESA-N 0 0 196.315 3.531 10 0 AHAERN Cc1ccsc1C(=O)[C@H](C)C(C)C ZINC000069685637 343434213 /nfs/dbraw/zinc/43/42/13/343434213.db2.gz GHGONBYBJFCCDE-SECBINFHSA-N 0 0 196.315 3.531 10 0 AHAERN CC(C)[C@@H](C)[C@H](O)C1=CCCCCC1 ZINC000069689695 573263207 /nfs/dbraw/zinc/26/32/07/573263207.db2.gz RLSGDLKKEOYSDC-YPMHNXCESA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@H](C)[C@H](O)C1=CCCCCC1 ZINC000069689697 573263415 /nfs/dbraw/zinc/26/34/15/573263415.db2.gz RLSGDLKKEOYSDC-AAEUAGOBSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@@H](C)[C@@H](O)C1=CCCCCC1 ZINC000069689700 573261948 /nfs/dbraw/zinc/26/19/48/573261948.db2.gz RLSGDLKKEOYSDC-DGCLKSJQSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@H](C)[C@@H](O)C1=CCCCCC1 ZINC000069689703 573260762 /nfs/dbraw/zinc/26/07/62/573260762.db2.gz RLSGDLKKEOYSDC-WCQYABFASA-N 0 0 196.334 3.530 10 0 AHAERN Cc1ccc(C)n1[C@@H](C)C1CCCC1 ZINC000069805873 572582537 /nfs/dbraw/zinc/58/25/37/572582537.db2.gz IVALVSPYPZBDMU-LBPRGKRZSA-N 0 0 191.318 3.856 10 0 AHAERN Cc1ccc(C)n1[C@H](C)C1CCCC1 ZINC000069805876 572583531 /nfs/dbraw/zinc/58/35/31/572583531.db2.gz IVALVSPYPZBDMU-GFCCVEGCSA-N 0 0 191.318 3.856 10 0 AHAERN Cc1cc(C)c2ccc(Cl)nc2c1 ZINC000070055004 343471016 /nfs/dbraw/zinc/47/10/16/343471016.db2.gz QRUZVJFWPWCUFL-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN Cc1ccc(C)c2nc(Cl)ccc12 ZINC000070055014 343471004 /nfs/dbraw/zinc/47/10/04/343471004.db2.gz WJLARMCLGNFVBB-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN Cc1ccc2ccc(Cl)nc2c1C ZINC000070055015 343471113 /nfs/dbraw/zinc/47/11/13/343471113.db2.gz QUZXAPQXEGIZGD-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CC(C)(C)CC(=O)C1CCCCC1 ZINC000070079015 343473833 /nfs/dbraw/zinc/47/38/33/343473833.db2.gz YOMYTNNLDQEGDB-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)Oc1ccc(C(C)(C)C)cc1 ZINC000070233505 572668300 /nfs/dbraw/zinc/66/83/00/572668300.db2.gz ZGLFMBVKFRXIES-UHFFFAOYSA-N 0 0 192.302 3.771 10 0 AHAERN CC(C)COc1ccccc1C(C)C ZINC000070233570 572201773 /nfs/dbraw/zinc/20/17/73/572201773.db2.gz XENRBMOJEWAMOL-UHFFFAOYSA-N 0 0 192.302 3.845 10 0 AHAERN CCc1ccccc1OCC=C(C)C ZINC000070233637 572201446 /nfs/dbraw/zinc/20/14/46/572201446.db2.gz PSLHFYGERHGPAK-UHFFFAOYSA-N 0 0 190.286 3.594 10 0 AHAERN CC(C)COc1ccc(C(C)C)cc1 ZINC000070233678 351602833 /nfs/dbraw/zinc/60/28/33/351602833.db2.gz WZVMOOJVNFYATQ-UHFFFAOYSA-N 0 0 192.302 3.845 10 0 AHAERN CCc1ccc(OCCC(C)C)cc1 ZINC000070234100 572199891 /nfs/dbraw/zinc/19/98/91/572199891.db2.gz BDZCMWJAYIFVIW-UHFFFAOYSA-N 0 0 192.302 3.674 10 0 AHAERN Cc1ccc(OCC2CCCC2)cc1 ZINC000070234466 572669004 /nfs/dbraw/zinc/66/90/04/572669004.db2.gz GRTWDVGEPNIERX-UHFFFAOYSA-N 0 0 190.286 3.564 10 0 AHAERN Cc1ccc(OCCC(C)(C)C)cc1 ZINC000070234484 572203294 /nfs/dbraw/zinc/20/32/94/572203294.db2.gz RAHQXTQRBHVXPZ-UHFFFAOYSA-N 0 0 192.302 3.810 10 0 AHAERN Cc1cccc(OCC2CCCC2)c1 ZINC000070234486 572666928 /nfs/dbraw/zinc/66/69/28/572666928.db2.gz SQUFFBJWPNCUCP-UHFFFAOYSA-N 0 0 190.286 3.564 10 0 AHAERN Cc1cccc(OCCC(C)(C)C)c1 ZINC000070234502 572203553 /nfs/dbraw/zinc/20/35/53/572203553.db2.gz HXGAQIAPFYGGOF-UHFFFAOYSA-N 0 0 192.302 3.810 10 0 AHAERN Cc1ccccc1OCC1CCCC1 ZINC000070234506 572668853 /nfs/dbraw/zinc/66/88/53/572668853.db2.gz KJSXPQVRZLIQMA-UHFFFAOYSA-N 0 0 190.286 3.564 10 0 AHAERN Cc1ccccc1OCCC(C)(C)C ZINC000070234517 572204890 /nfs/dbraw/zinc/20/48/90/572204890.db2.gz FNBXINFFWLPOBN-UHFFFAOYSA-N 0 0 192.302 3.810 10 0 AHAERN CC(C)(C)CCOc1ccc(F)cc1 ZINC000070234534 572203650 /nfs/dbraw/zinc/20/36/50/572203650.db2.gz CBLXZRWWUKHGJQ-UHFFFAOYSA-N 0 0 196.265 3.641 10 0 AHAERN CC(C)(C)CCOc1cccc(F)c1 ZINC000070234595 572203660 /nfs/dbraw/zinc/20/36/60/572203660.db2.gz QDOHOYIIEDLONY-UHFFFAOYSA-N 0 0 196.265 3.641 10 0 AHAERN C/C=C/COc1ccc(C(C)C)cc1 ZINC000070234609 572204376 /nfs/dbraw/zinc/20/43/76/572204376.db2.gz QYCSUKMSKNSYJQ-SNAWJCMRSA-N 0 0 190.286 3.765 10 0 AHAERN CC1=C[C@H]2CC[C@]1(C)C(C)=C2C ZINC000070451269 560048791 /nfs/dbraw/zinc/04/87/91/560048791.db2.gz AKVHDXDXXNIQJW-NEPJUHHUSA-N 0 0 162.276 3.699 10 0 biogenic,in-vitro AHAERN CCC(CC)CCC(C)C ZINC000070454449 166788858 /nfs/dbraw/zinc/78/88/58/166788858.db2.gz DGEMPTLPTFNEHJ-UHFFFAOYSA-N 0 0 142.286 3.859 10 0 biogenic,in-vitro AHAERN CCCCc1cc(C)cc(C)c1 ZINC000070454524 560048164 /nfs/dbraw/zinc/04/81/64/560048164.db2.gz GINMJHHVPMUMGK-UHFFFAOYSA-N 0 0 162.276 3.646 10 0 biogenic,in-vitro AHAERN Cc1ccc(-c2cc3ccccc3[nH]2)o1 ZINC000070463031 343487853 /nfs/dbraw/zinc/48/78/53/343487853.db2.gz DUSRJYQCFUCVQE-UHFFFAOYSA-N 0 0 197.237 3.736 10 0 AHAERN c1cc(-c2cc3ccccc3[nH]2)cs1 ZINC000070463033 351603510 /nfs/dbraw/zinc/60/35/10/351603510.db2.gz UDQZOSAIZZYPEO-UHFFFAOYSA-N 0 0 199.278 3.896 10 0 AHAERN C[C@@H]1CCC[C@H](CCn2cccc2)C1 ZINC000070532868 572701867 /nfs/dbraw/zinc/70/18/67/572701867.db2.gz INXJHMYVDCIDAO-CHWSQXEVSA-N 0 0 191.318 3.705 10 0 AHAERN C[C@H]1CCC[C@H](CCn2cccc2)C1 ZINC000070532869 572701920 /nfs/dbraw/zinc/70/19/20/572701920.db2.gz INXJHMYVDCIDAO-QWHCGFSZSA-N 0 0 191.318 3.705 10 0 AHAERN C[C@@H]1CCC[C@@H](CCn2cccc2)C1 ZINC000070532870 572701880 /nfs/dbraw/zinc/70/18/80/572701880.db2.gz INXJHMYVDCIDAO-OLZOCXBDSA-N 0 0 191.318 3.705 10 0 AHAERN C[C@H]1CCC[C@@H](CCn2cccc2)C1 ZINC000070532871 572701541 /nfs/dbraw/zinc/70/15/41/572701541.db2.gz INXJHMYVDCIDAO-STQMWFEESA-N 0 0 191.318 3.705 10 0 AHAERN CC1CCC(CCn2cccc2)CC1 ZINC000070532872 343489119 /nfs/dbraw/zinc/48/91/19/343489119.db2.gz YTHVSGUJPOOZQK-UHFFFAOYSA-N 0 0 191.318 3.705 10 0 AHAERN CCC(=O)c1cc(C)c(Cl)cc1C ZINC000070559745 343490953 /nfs/dbraw/zinc/49/09/53/343490953.db2.gz BLBHQVQFDCGFTN-UHFFFAOYSA-N 0 0 196.677 3.550 10 0 AHAERN CC[C@@H]1CCC[C@H](C(O)(CC)CC)C1 ZINC000070565636 571696742 /nfs/dbraw/zinc/69/67/42/571696742.db2.gz WLZKGBQDTIDXOM-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CCC[C@H](C(O)(CC)CC)C1 ZINC000070565637 571696672 /nfs/dbraw/zinc/69/66/72/571696672.db2.gz WLZKGBQDTIDXOM-RYUDHWBXSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H]1CCC[C@@H](C(O)(CC)CC)C1 ZINC000070565638 571696014 /nfs/dbraw/zinc/69/60/14/571696014.db2.gz WLZKGBQDTIDXOM-VXGBXAGGSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CCC[C@@H](C(O)(CC)CC)C1 ZINC000070565639 571694205 /nfs/dbraw/zinc/69/42/05/571694205.db2.gz WLZKGBQDTIDXOM-NWDGAFQWSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)[C@](C)(O)[C@@H]1CCC[C@H](C)C1 ZINC000070565669 343492878 /nfs/dbraw/zinc/49/28/78/343492878.db2.gz MCJNCEUMFVMSMD-RVMXOQNASA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@H](O)[C@@H]1CCC[C@H](C)C1 ZINC000070565872 571695018 /nfs/dbraw/zinc/69/50/18/571695018.db2.gz MPSAGDARPPNOKT-UHTWSYAYSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@H](O)[C@H]1CCC[C@H](C)C1 ZINC000070565874 571694457 /nfs/dbraw/zinc/69/44/57/571694457.db2.gz MPSAGDARPPNOKT-DRZSPHRISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@@H](O)[C@H]1CCC[C@@H](CC)C1 ZINC000070565904 571696239 /nfs/dbraw/zinc/69/62/39/571696239.db2.gz NWLDLQGFHDLUSW-QNWHQSFQSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@@H](O)[C@@H]1CCC[C@@H](CC)C1 ZINC000070565906 571695989 /nfs/dbraw/zinc/69/59/89/571695989.db2.gz NWLDLQGFHDLUSW-UMSGYPCISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCC[C@H]([C@H](O)CC(C)C)C1 ZINC000070565948 571696047 /nfs/dbraw/zinc/69/60/47/571696047.db2.gz FDOYCBWGRQVTRN-FRRDWIJNSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCC[C@@H]([C@H](O)CC(C)C)C1 ZINC000070565950 571694912 /nfs/dbraw/zinc/69/49/12/571694912.db2.gz FDOYCBWGRQVTRN-JHJVBQTASA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@H](O)[C@@H]1CCC[C@H](CC)C1 ZINC000070565968 571695567 /nfs/dbraw/zinc/69/55/67/571695567.db2.gz GBWSCJYJYPULSG-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](O)[C@H]1CCC[C@H](CC)C1 ZINC000070565970 571696016 /nfs/dbraw/zinc/69/60/16/571696016.db2.gz GBWSCJYJYPULSG-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)[C@H](O)[C@@H]1CCC[C@H](C)C1 ZINC000070565985 571695346 /nfs/dbraw/zinc/69/53/46/571695346.db2.gz WTEPSLDUVSYPEH-RVMXOQNASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCC[C@H](C(=O)CC(C)C)C1 ZINC000070566232 571696173 /nfs/dbraw/zinc/69/61/73/571696173.db2.gz MUCLPZQUCHBCOL-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCC[C@H](C(=O)CC(C)C)C1 ZINC000070566233 571696244 /nfs/dbraw/zinc/69/62/44/571696244.db2.gz MUCLPZQUCHBCOL-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCC[C@@H](C(=O)CC(C)C)C1 ZINC000070566234 571696155 /nfs/dbraw/zinc/69/61/55/571696155.db2.gz MUCLPZQUCHBCOL-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCC[C@@H](C(=O)CC(C)C)C1 ZINC000070566235 571696651 /nfs/dbraw/zinc/69/66/51/571696651.db2.gz MUCLPZQUCHBCOL-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(=O)[C@@H]1CCC[C@H](CC)C1 ZINC000070566260 571695651 /nfs/dbraw/zinc/69/56/51/571695651.db2.gz MBFWRRVQPYPLJF-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)[C@H]1CCC[C@H](CC)C1 ZINC000070566261 571694679 /nfs/dbraw/zinc/69/46/79/571694679.db2.gz MBFWRRVQPYPLJF-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)[C@@H]1CCC[C@@H](CC)C1 ZINC000070566262 571696772 /nfs/dbraw/zinc/69/67/72/571696772.db2.gz MBFWRRVQPYPLJF-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)[C@H]1CCC[C@@H](CC)C1 ZINC000070566263 571696443 /nfs/dbraw/zinc/69/64/43/571696443.db2.gz MBFWRRVQPYPLJF-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H](C)C(=O)[C@H]1CCC[C@@H](CC)C1 ZINC000070566392 571695160 /nfs/dbraw/zinc/69/51/60/571695160.db2.gz AOHZWGSRLJXZGB-TUAOUCFPSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)C(=O)[C@@H]1CCC[C@@H](CC)C1 ZINC000070566394 571696074 /nfs/dbraw/zinc/69/60/74/571696074.db2.gz AOHZWGSRLJXZGB-QJPTWQEYSA-N 0 0 196.334 3.818 10 0 AHAERN C[C@@H]1CCC[C@H](C(=O)CC(C)(C)C)C1 ZINC000070566400 343492812 /nfs/dbraw/zinc/49/28/12/343492812.db2.gz HUQVCZJVECOJHR-MNOVXSKESA-N 0 0 196.334 3.818 10 0 AHAERN C[C@H]1CCC[C@H](C(=O)CC(C)(C)C)C1 ZINC000070566401 343492819 /nfs/dbraw/zinc/49/28/19/343492819.db2.gz HUQVCZJVECOJHR-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN C[C@@H]1CCC[C@@H](C(=O)CC(C)(C)C)C1 ZINC000070566402 343492896 /nfs/dbraw/zinc/49/28/96/343492896.db2.gz HUQVCZJVECOJHR-GHMZBOCLSA-N 0 0 196.334 3.818 10 0 AHAERN C[C@H]1CCC[C@@H](C(=O)CC(C)(C)C)C1 ZINC000070566403 343492885 /nfs/dbraw/zinc/49/28/85/343492885.db2.gz HUQVCZJVECOJHR-WDEREUQCSA-N 0 0 196.334 3.818 10 0 AHAERN C[C@H]1CCC[C@H]([C@@H]2CCCCC2=O)C1 ZINC000070567375 571694614 /nfs/dbraw/zinc/69/46/14/571694614.db2.gz RQNPKZOAEQZVPG-SRVKXCTJSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@@H]([C@@H]2CCCCC2=O)C1 ZINC000070567377 571694454 /nfs/dbraw/zinc/69/44/54/571694454.db2.gz RQNPKZOAEQZVPG-TUAOUCFPSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC[C@H]([C@@H]2CCCC2=O)C1 ZINC000070567387 571694079 /nfs/dbraw/zinc/69/40/79/571694079.db2.gz OQKNFIVMPITCPY-SRVKXCTJSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC[C@@H]([C@@H]2CCCC2=O)C1 ZINC000070567389 571694513 /nfs/dbraw/zinc/69/45/13/571694513.db2.gz OQKNFIVMPITCPY-TUAOUCFPSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCCC[C@]1(O)C1CCCC1 ZINC000070568744 572704713 /nfs/dbraw/zinc/70/47/13/572704713.db2.gz QABYYUPNVOVKLV-DGCLKSJQSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1CCCC[C@]1(O)C1CCCC1 ZINC000070568745 572706580 /nfs/dbraw/zinc/70/65/80/572706580.db2.gz QABYYUPNVOVKLV-WCQYABFASA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@@H]1CCCC[C@@]1(O)C1CCCC1 ZINC000070568746 572704439 /nfs/dbraw/zinc/70/44/39/572704439.db2.gz QABYYUPNVOVKLV-YPMHNXCESA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1CCCC[C@@]1(O)C1CCCC1 ZINC000070568747 572703930 /nfs/dbraw/zinc/70/39/30/572703930.db2.gz QABYYUPNVOVKLV-AAEUAGOBSA-N 0 0 196.334 3.508 10 0 AHAERN C/C=C/C1=CCCCc2ccccc21 ZINC000070632479 166061900 /nfs/dbraw/zinc/06/19/00/166061900.db2.gz XNDWJUIPHRNFFX-FARCUNLSSA-N 0 0 184.282 3.982 10 0 AHAERN CC1(C)CCC(O)(C2CCCC2)CC1 ZINC000070654567 572722293 /nfs/dbraw/zinc/72/22/93/572722293.db2.gz XJMBNSXODRTMEX-UHFFFAOYSA-N 0 0 196.334 3.508 10 0 AHAERN CC1(C)CCC(n2cccc2)CC1 ZINC000070655456 572721396 /nfs/dbraw/zinc/72/13/96/572721396.db2.gz CNXJMAVFWQIVQG-UHFFFAOYSA-N 0 0 177.291 3.629 10 0 AHAERN CC1(C)CCC[C@](O)(C2CCCC2)C1 ZINC000070684333 572724923 /nfs/dbraw/zinc/72/49/23/572724923.db2.gz BSNIHZZLAFYHLD-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CC1(C)CCC[C@@](O)(C2CCCC2)C1 ZINC000070684336 572724656 /nfs/dbraw/zinc/72/46/56/572724656.db2.gz BSNIHZZLAFYHLD-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)[C@H]1C[C@@H](C)Nc2ccccc21 ZINC000070709928 572728430 /nfs/dbraw/zinc/72/84/30/572728430.db2.gz BOCMLTQTTKNJDD-ZYHUDNBSSA-N 0 0 189.302 3.630 10 0 AHAERN CC(C)[C@H]1C[C@H](C)Nc2ccccc21 ZINC000070709933 572730883 /nfs/dbraw/zinc/73/08/83/572730883.db2.gz BOCMLTQTTKNJDD-CMPLNLGQSA-N 0 0 189.302 3.630 10 0 AHAERN CC(C)[C@@H]1C[C@@H](C)Nc2ccccc21 ZINC000070709934 572728209 /nfs/dbraw/zinc/72/82/09/572728209.db2.gz BOCMLTQTTKNJDD-PWSUYJOCSA-N 0 0 189.302 3.630 10 0 AHAERN CC(C)[C@@H]1C[C@H](C)Nc2ccccc21 ZINC000070709935 572729813 /nfs/dbraw/zinc/72/98/13/572729813.db2.gz BOCMLTQTTKNJDD-JQWIXIFHSA-N 0 0 189.302 3.630 10 0 AHAERN C[C@@H]1CCC[C@H]([C@@H]2CCCC(=O)C2)C1 ZINC000070737588 572731576 /nfs/dbraw/zinc/73/15/76/572731576.db2.gz QZWPVLVDPPAXGW-GRYCIOLGSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@H]([C@@H]2CCCC(=O)C2)C1 ZINC000070737589 571746005 /nfs/dbraw/zinc/74/60/05/571746005.db2.gz QZWPVLVDPPAXGW-SDDRHHMPSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@@H]1CCC[C@@H]([C@@H]2CCCC(=O)C2)C1 ZINC000070737592 572732293 /nfs/dbraw/zinc/73/22/93/572732293.db2.gz QZWPVLVDPPAXGW-IJLUTSLNSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@@H]([C@@H]2CCCC(=O)C2)C1 ZINC000070737594 571745509 /nfs/dbraw/zinc/74/55/09/571745509.db2.gz QZWPVLVDPPAXGW-QJPTWQEYSA-N 0 0 194.318 3.572 10 0 AHAERN CCC[C@@H](C)C[C@@H]1CCCC(=O)C1 ZINC000070737611 571745035 /nfs/dbraw/zinc/74/50/35/571745035.db2.gz UVMWSGZNIGBNBP-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@H](C)C[C@@H]1CCCC(=O)C1 ZINC000070737612 571745017 /nfs/dbraw/zinc/74/50/17/571745017.db2.gz UVMWSGZNIGBNBP-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@@H](C)C[C@H]1CCCC(=O)C1 ZINC000070737613 571746447 /nfs/dbraw/zinc/74/64/47/571746447.db2.gz UVMWSGZNIGBNBP-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@H](C)C[C@H]1CCCC(=O)C1 ZINC000070737614 571744351 /nfs/dbraw/zinc/74/43/51/571744351.db2.gz UVMWSGZNIGBNBP-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCCC[C@@H]1CCCC(=O)C1 ZINC000070737808 343527344 /nfs/dbraw/zinc/52/73/44/343527344.db2.gz ADCQSWBYEZGBTF-LLVKDONJSA-N 0 0 182.307 3.716 10 0 AHAERN CCCCCC[C@H]1CCCC(=O)C1 ZINC000070737810 343527198 /nfs/dbraw/zinc/52/71/98/343527198.db2.gz ADCQSWBYEZGBTF-NSHDSACASA-N 0 0 182.307 3.716 10 0 AHAERN CC(C)(C)CC[C@@H]1CCCC(=O)C1 ZINC000070737843 572732426 /nfs/dbraw/zinc/73/24/26/572732426.db2.gz VRNWCRVRHPXEIV-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)(C)CC[C@H]1CCCC(=O)C1 ZINC000070737846 572732221 /nfs/dbraw/zinc/73/22/21/572732221.db2.gz VRNWCRVRHPXEIV-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@@H]1CCC[C@H]([C@@H]2CCC(=O)C2)C1 ZINC000070738200 343527691 /nfs/dbraw/zinc/52/76/91/343527691.db2.gz BHVWUVZFWXFLLE-GRYCIOLGSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC[C@H]([C@@H]2CCC(=O)C2)C1 ZINC000070738202 571744433 /nfs/dbraw/zinc/74/44/33/571744433.db2.gz BHVWUVZFWXFLLE-SDDRHHMPSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC[C@@H]([C@@H]2CCC(=O)C2)C1 ZINC000070738204 343527806 /nfs/dbraw/zinc/52/78/06/343527806.db2.gz BHVWUVZFWXFLLE-IJLUTSLNSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC[C@@H]([C@@H]2CCC(=O)C2)C1 ZINC000070738205 571745814 /nfs/dbraw/zinc/74/58/14/571745814.db2.gz BHVWUVZFWXFLLE-QJPTWQEYSA-N 0 0 194.318 3.572 10 0 AHAERN CCCC[C@@H](CC)C[C@@H]1CCC(=O)C1 ZINC000070738324 571745810 /nfs/dbraw/zinc/74/58/10/571745810.db2.gz QQUQWFAHOIBDRL-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H](CC)C[C@@H]1CCC(=O)C1 ZINC000070738326 571744590 /nfs/dbraw/zinc/74/45/90/571744590.db2.gz QQUQWFAHOIBDRL-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@@H](CC)C[C@H]1CCC(=O)C1 ZINC000070738329 571746061 /nfs/dbraw/zinc/74/60/61/571746061.db2.gz QQUQWFAHOIBDRL-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H](CC)C[C@H]1CCC(=O)C1 ZINC000070738332 571745059 /nfs/dbraw/zinc/74/50/59/571745059.db2.gz QQUQWFAHOIBDRL-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1[C@@H]1CCC(=O)C1 ZINC000070738450 572737307 /nfs/dbraw/zinc/73/73/07/572737307.db2.gz JOJWXTDGBZJUAE-WZRBSPASSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCCC[C@@H]1[C@@H]1CCC(=O)C1 ZINC000070738452 571745865 /nfs/dbraw/zinc/74/58/65/571745865.db2.gz JOJWXTDGBZJUAE-LOWVWBTDSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCCC[C@H]1[C@@H]1CCC(=O)C1 ZINC000070738454 572735934 /nfs/dbraw/zinc/73/59/34/572735934.db2.gz JOJWXTDGBZJUAE-NQBHXWOUSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCCC[C@H]1[C@@H]1CCC(=O)C1 ZINC000070738457 571746127 /nfs/dbraw/zinc/74/61/27/571746127.db2.gz JOJWXTDGBZJUAE-DMDPSCGWSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC[C@H](CCC(C)=O)C1 ZINC000070738699 571747230 /nfs/dbraw/zinc/74/72/30/571747230.db2.gz TYNOKLCGIANMSK-VXGBXAGGSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H]1CCC[C@H](CCC(C)=O)C1 ZINC000070738702 571747919 /nfs/dbraw/zinc/74/79/19/571747919.db2.gz TYNOKLCGIANMSK-NWDGAFQWSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@@H]1CCC[C@@H](CCC(C)=O)C1 ZINC000070738704 571747048 /nfs/dbraw/zinc/74/70/48/571747048.db2.gz TYNOKLCGIANMSK-NEPJUHHUSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H]1CCC[C@@H](CCC(C)=O)C1 ZINC000070738706 571748196 /nfs/dbraw/zinc/74/81/96/571748196.db2.gz TYNOKLCGIANMSK-RYUDHWBXSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC[C@@H](CC)CCCC(C)=O ZINC000070738744 571748970 /nfs/dbraw/zinc/74/89/70/571748970.db2.gz SNZRQWKTCLVSFI-GFCCVEGCSA-N 0 0 184.323 3.962 10 0 AHAERN CCCC[C@H](CC)CCCC(C)=O ZINC000070738747 571748033 /nfs/dbraw/zinc/74/80/33/571748033.db2.gz SNZRQWKTCLVSFI-LBPRGKRZSA-N 0 0 184.323 3.962 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1CCC(C)=O ZINC000070738801 571748801 /nfs/dbraw/zinc/74/88/01/571748801.db2.gz OCXKUNPAOMPQRX-VXGBXAGGSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H]1CCCC[C@@H]1CCC(C)=O ZINC000070738802 571749040 /nfs/dbraw/zinc/74/90/40/571749040.db2.gz OCXKUNPAOMPQRX-NWDGAFQWSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@@H]1CCCC[C@H]1CCC(C)=O ZINC000070738805 571747678 /nfs/dbraw/zinc/74/76/78/571747678.db2.gz OCXKUNPAOMPQRX-NEPJUHHUSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H]1CCCC[C@H]1CCC(C)=O ZINC000070738806 571747906 /nfs/dbraw/zinc/74/79/06/571747906.db2.gz OCXKUNPAOMPQRX-RYUDHWBXSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)CC[C@H]1CCC[C@@H](CC)C1 ZINC000070739124 571747162 /nfs/dbraw/zinc/74/71/62/571747162.db2.gz ZWXGEXREOQUGSF-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(=O)CC[C@H]1CCC[C@H](CC)C1 ZINC000070739126 571747929 /nfs/dbraw/zinc/74/79/29/571747929.db2.gz ZWXGEXREOQUGSF-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(=O)CC[C@@H]1CCC[C@@H](CC)C1 ZINC000070739127 571748085 /nfs/dbraw/zinc/74/80/85/571748085.db2.gz ZWXGEXREOQUGSF-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(=O)CC[C@@H]1CCC[C@H](CC)C1 ZINC000070739129 571748774 /nfs/dbraw/zinc/74/87/74/571748774.db2.gz ZWXGEXREOQUGSF-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(=O)CCCC1CCCCC1 ZINC000070739174 571885735 /nfs/dbraw/zinc/88/57/35/571885735.db2.gz GAGSRVIGCUMTNQ-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN CCC(=O)CC[C@@H]1CCC[C@H](C)C1 ZINC000070739196 571747335 /nfs/dbraw/zinc/74/73/35/571747335.db2.gz BBENNNURWSLHDA-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)CC[C@H]1CCC[C@H](C)C1 ZINC000070739199 571748411 /nfs/dbraw/zinc/74/84/11/571748411.db2.gz BBENNNURWSLHDA-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)CC[C@@H]1CCC[C@@H](C)C1 ZINC000070739201 571747196 /nfs/dbraw/zinc/74/71/96/571747196.db2.gz BBENNNURWSLHDA-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)CC[C@H]1CCC[C@@H](C)C1 ZINC000070739203 571747003 /nfs/dbraw/zinc/74/70/03/571747003.db2.gz BBENNNURWSLHDA-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@@H](C)CCCC(=O)CC ZINC000070739211 571747774 /nfs/dbraw/zinc/74/77/74/571747774.db2.gz MBMUGQXXPJUIAQ-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN CCC[C@H](C)CCCC(=O)CC ZINC000070739213 571748204 /nfs/dbraw/zinc/74/82/04/571748204.db2.gz MBMUGQXXPJUIAQ-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CCC(=O)CCCCC(C)(C)C ZINC000070739221 571749117 /nfs/dbraw/zinc/74/91/17/571749117.db2.gz HQECPVJMETWBTJ-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN CCC(=O)CC[C@H]1CCCC[C@H]1CC ZINC000070739226 571748285 /nfs/dbraw/zinc/74/82/85/571748285.db2.gz CCVNALOQTKCDHR-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(=O)CC[C@H]1CCCC[C@@H]1CC ZINC000070739227 571747765 /nfs/dbraw/zinc/74/77/65/571747765.db2.gz CCVNALOQTKCDHR-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(=O)CC[C@@H]1CCCC[C@H]1CC ZINC000070739230 571748004 /nfs/dbraw/zinc/74/80/04/571748004.db2.gz CCVNALOQTKCDHR-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(=O)CC[C@@H]1CCCC[C@@H]1CC ZINC000070739232 571748318 /nfs/dbraw/zinc/74/83/18/571748318.db2.gz CCVNALOQTKCDHR-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)CCCC1CCCC1 ZINC000070739390 571747476 /nfs/dbraw/zinc/74/74/76/571747476.db2.gz UFANQYCKEALVKV-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN CCCC(=O)CC[C@@H]1CCC[C@H](C)C1 ZINC000070739411 571747248 /nfs/dbraw/zinc/74/72/48/571747248.db2.gz ZFGDYMOGIIQDPM-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)CC[C@H]1CCC[C@H](C)C1 ZINC000070739413 571747623 /nfs/dbraw/zinc/74/76/23/571747623.db2.gz ZFGDYMOGIIQDPM-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)CC[C@@H]1CCC[C@@H](C)C1 ZINC000070739416 571747518 /nfs/dbraw/zinc/74/75/18/571747518.db2.gz ZFGDYMOGIIQDPM-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)CC[C@H]1CCC[C@@H](C)C1 ZINC000070739418 571748363 /nfs/dbraw/zinc/74/83/63/571748363.db2.gz ZFGDYMOGIIQDPM-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)CCC[C@H](C)CCC ZINC000070739422 571748236 /nfs/dbraw/zinc/74/82/36/571748236.db2.gz JXOAYTKZWILMDU-LLVKDONJSA-N 0 0 184.323 3.962 10 0 AHAERN CCCC(=O)CCC[C@@H](C)CCC ZINC000070739424 571747673 /nfs/dbraw/zinc/74/76/73/571747673.db2.gz JXOAYTKZWILMDU-NSHDSACASA-N 0 0 184.323 3.962 10 0 AHAERN CCCC(=O)CCCCC(C)(C)C ZINC000070739436 571748304 /nfs/dbraw/zinc/74/83/04/571748304.db2.gz ZXQDPCDKZHUUQC-UHFFFAOYSA-N 0 0 184.323 3.962 10 0 AHAERN CCCC(=O)CCC[C@@H](C)CC ZINC000070739501 571748765 /nfs/dbraw/zinc/74/87/65/571748765.db2.gz RKBKVOLVNHYNCG-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CCCC(=O)CCC[C@H](C)CC ZINC000070739503 571747848 /nfs/dbraw/zinc/74/78/48/571747848.db2.gz RKBKVOLVNHYNCG-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN CC(C)C(=O)CCCC1CCCCC1 ZINC000070739626 571884314 /nfs/dbraw/zinc/88/43/14/571884314.db2.gz PSIREMNXJZVKMS-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)C(=O)CC[C@H]1CCC[C@@H](C)C1 ZINC000070739646 571747472 /nfs/dbraw/zinc/74/74/72/571747472.db2.gz MHCALMUMWSHINV-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C(=O)CC[C@H]1CCC[C@H](C)C1 ZINC000070739649 571748444 /nfs/dbraw/zinc/74/84/44/571748444.db2.gz MHCALMUMWSHINV-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C(=O)CC[C@@H]1CCC[C@@H](C)C1 ZINC000070739651 571748879 /nfs/dbraw/zinc/74/88/79/571748879.db2.gz MHCALMUMWSHINV-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C(=O)CC[C@@H]1CCC[C@H](C)C1 ZINC000070739653 571748281 /nfs/dbraw/zinc/74/82/81/571748281.db2.gz MHCALMUMWSHINV-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H](C)CCCC(=O)C(C)C ZINC000070739658 571749209 /nfs/dbraw/zinc/74/92/09/571749209.db2.gz SMQDHDPFISBDQZ-LLVKDONJSA-N 0 0 184.323 3.818 10 0 AHAERN CCC[C@H](C)CCCC(=O)C(C)C ZINC000070739660 571748965 /nfs/dbraw/zinc/74/89/65/571748965.db2.gz SMQDHDPFISBDQZ-NSHDSACASA-N 0 0 184.323 3.818 10 0 AHAERN CC(C)C(=O)CCCCC(C)(C)C ZINC000070739672 572735967 /nfs/dbraw/zinc/73/59/67/572735967.db2.gz SMQDWEHELAEZIR-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN O=C(CCCC1CCCCC1)C1CC1 ZINC000070739862 571885540 /nfs/dbraw/zinc/88/55/40/571885540.db2.gz KTHOQKSFCWQDTM-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN C[C@@H]1CCC[C@H](CCC(=O)C2CC2)C1 ZINC000070739869 571748681 /nfs/dbraw/zinc/74/86/81/571748681.db2.gz ZAPJNOZKFQBMQY-GHMZBOCLSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@H](CCC(=O)C2CC2)C1 ZINC000070739870 571748578 /nfs/dbraw/zinc/74/85/78/571748578.db2.gz ZAPJNOZKFQBMQY-WDEREUQCSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@@H]1CCC[C@@H](CCC(=O)C2CC2)C1 ZINC000070739871 571749020 /nfs/dbraw/zinc/74/90/20/571749020.db2.gz ZAPJNOZKFQBMQY-MNOVXSKESA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@@H](CCC(=O)C2CC2)C1 ZINC000070739873 571748104 /nfs/dbraw/zinc/74/81/04/571748104.db2.gz ZAPJNOZKFQBMQY-QWRGUYRKSA-N 0 0 194.318 3.572 10 0 AHAERN CCC[C@@H](C)CCCC(=O)C1CC1 ZINC000070739877 571747183 /nfs/dbraw/zinc/74/71/83/571747183.db2.gz VVDDBXSOMWMKRP-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@H](C)CCCC(=O)C1CC1 ZINC000070739879 571747955 /nfs/dbraw/zinc/74/79/55/571747955.db2.gz VVDDBXSOMWMKRP-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)(C)CCCCC(=O)C1CC1 ZINC000070739886 571747278 /nfs/dbraw/zinc/74/72/78/571747278.db2.gz ZUOKSUHDZCNWFT-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)(C)C(=O)CCCC1CCCC1 ZINC000070740040 571749167 /nfs/dbraw/zinc/74/91/67/571749167.db2.gz CCPSUIPVLYXAAD-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@@H](C)CCCC(=O)C(C)(C)C ZINC000070740094 571747569 /nfs/dbraw/zinc/74/75/69/571747569.db2.gz OUHZXWGPPROSBL-SNVBAGLBSA-N 0 0 184.323 3.818 10 0 AHAERN CC[C@H](C)CCCC(=O)C(C)(C)C ZINC000070740095 571748351 /nfs/dbraw/zinc/74/83/51/571748351.db2.gz OUHZXWGPPROSBL-JTQLQIEISA-N 0 0 184.323 3.818 10 0 AHAERN CC(C)CC[C@@H]1CCCCC(=O)C1 ZINC000070740278 343528090 /nfs/dbraw/zinc/52/80/90/343528090.db2.gz SNTMOVTYPCIRLD-NSHDSACASA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)CC[C@H]1CCCCC(=O)C1 ZINC000070740280 343528068 /nfs/dbraw/zinc/52/80/68/343528068.db2.gz SNTMOVTYPCIRLD-LLVKDONJSA-N 0 0 182.307 3.572 10 0 AHAERN O=C1CCCC[C@@H](C2CCCCC2)C1 ZINC000070740363 572736272 /nfs/dbraw/zinc/73/62/72/572736272.db2.gz IYGPTTBEXHISRZ-GFCCVEGCSA-N 0 0 194.318 3.716 10 0 AHAERN O=C1CCCC[C@H](C2CCCCC2)C1 ZINC000070740364 572735666 /nfs/dbraw/zinc/73/56/66/572735666.db2.gz IYGPTTBEXHISRZ-LBPRGKRZSA-N 0 0 194.318 3.716 10 0 AHAERN CCC[C@@H](C)C[C@@H]1CCCCC(=O)C1 ZINC000070740442 571747841 /nfs/dbraw/zinc/74/78/41/571747841.db2.gz BMSARGJKUQTQIT-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@H](C)C[C@@H]1CCCCC(=O)C1 ZINC000070740445 571747503 /nfs/dbraw/zinc/74/75/03/571747503.db2.gz BMSARGJKUQTQIT-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@@H](C)C[C@H]1CCCCC(=O)C1 ZINC000070740447 571747085 /nfs/dbraw/zinc/74/70/85/571747085.db2.gz BMSARGJKUQTQIT-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@H](C)C[C@H]1CCCCC(=O)C1 ZINC000070740449 571747101 /nfs/dbraw/zinc/74/71/01/571747101.db2.gz BMSARGJKUQTQIT-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@@H](C)C[C@@H]1CCCCC(=O)C1 ZINC000070740603 572735044 /nfs/dbraw/zinc/73/50/44/572735044.db2.gz IKSDQBYVBSQYJH-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H](C)C[C@@H]1CCCCC(=O)C1 ZINC000070740604 572735853 /nfs/dbraw/zinc/73/58/53/572735853.db2.gz IKSDQBYVBSQYJH-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@@H](C)C[C@H]1CCCCC(=O)C1 ZINC000070740606 572737297 /nfs/dbraw/zinc/73/72/97/572737297.db2.gz IKSDQBYVBSQYJH-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H](C)C[C@H]1CCCCC(=O)C1 ZINC000070740607 572735813 /nfs/dbraw/zinc/73/58/13/572735813.db2.gz IKSDQBYVBSQYJH-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@@H]1CC[C@H](Nc2ccccc2)C1 ZINC000070747596 572735804 /nfs/dbraw/zinc/73/58/04/572735804.db2.gz KBPOSKOJTKZARK-YPMHNXCESA-N 0 0 189.302 3.677 10 0 AHAERN CC[C@H]1CC[C@H](Nc2ccccc2)C1 ZINC000070747598 572735699 /nfs/dbraw/zinc/73/56/99/572735699.db2.gz KBPOSKOJTKZARK-AAEUAGOBSA-N 0 0 189.302 3.677 10 0 AHAERN CC[C@@H]1CC[C@@H](Nc2ccccc2)C1 ZINC000070747600 572735862 /nfs/dbraw/zinc/73/58/62/572735862.db2.gz KBPOSKOJTKZARK-DGCLKSJQSA-N 0 0 189.302 3.677 10 0 AHAERN CC[C@H]1CC[C@@H](Nc2ccccc2)C1 ZINC000070747602 572735737 /nfs/dbraw/zinc/73/57/37/572735737.db2.gz KBPOSKOJTKZARK-WCQYABFASA-N 0 0 189.302 3.677 10 0 AHAERN Cc1ccc(N[C@@H]2CC[C@H](C)C2)cc1 ZINC000070748673 572736843 /nfs/dbraw/zinc/73/68/43/572736843.db2.gz KONGQCHVJOCEAY-WCQYABFASA-N 0 0 189.302 3.596 10 0 AHAERN Cc1ccc(N[C@H]2CC[C@H](C)C2)cc1 ZINC000070748675 572736134 /nfs/dbraw/zinc/73/61/34/572736134.db2.gz KONGQCHVJOCEAY-AAEUAGOBSA-N 0 0 189.302 3.596 10 0 AHAERN Cc1ccc(N[C@@H]2CC[C@@H](C)C2)cc1 ZINC000070748677 572736020 /nfs/dbraw/zinc/73/60/20/572736020.db2.gz KONGQCHVJOCEAY-DGCLKSJQSA-N 0 0 189.302 3.596 10 0 AHAERN Cc1ccc(N[C@H]2CC[C@@H](C)C2)cc1 ZINC000070748679 572736319 /nfs/dbraw/zinc/73/63/19/572736319.db2.gz KONGQCHVJOCEAY-YPMHNXCESA-N 0 0 189.302 3.596 10 0 AHAERN CC[C@@H]1CC[C@](O)(C2CCCCC2)C1 ZINC000070765910 572740406 /nfs/dbraw/zinc/74/04/06/572740406.db2.gz HTLZWVIEUKJXRA-DGCLKSJQSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1CC[C@](O)(C2CCCCC2)C1 ZINC000070765915 572740053 /nfs/dbraw/zinc/74/00/53/572740053.db2.gz HTLZWVIEUKJXRA-WCQYABFASA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@@H]1CC[C@@](O)(C2CCCCC2)C1 ZINC000070765917 572740400 /nfs/dbraw/zinc/74/04/00/572740400.db2.gz HTLZWVIEUKJXRA-YPMHNXCESA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1CC[C@@](O)(C2CCCCC2)C1 ZINC000070765922 572738748 /nfs/dbraw/zinc/73/87/48/572738748.db2.gz HTLZWVIEUKJXRA-AAEUAGOBSA-N 0 0 196.334 3.508 10 0 AHAERN CCCC[C@@H](CC)CCC[C@@H](C)O ZINC000070770210 571753427 /nfs/dbraw/zinc/75/34/27/571753427.db2.gz BJRFLPGWQKMIEB-VXGBXAGGSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@H](CC)CCC[C@@H](C)O ZINC000070770213 571752706 /nfs/dbraw/zinc/75/27/06/571752706.db2.gz BJRFLPGWQKMIEB-NEPJUHHUSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@@H](CC)CCC[C@H](C)O ZINC000070770217 571753379 /nfs/dbraw/zinc/75/33/79/571753379.db2.gz BJRFLPGWQKMIEB-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@H](CC)CCC[C@H](C)O ZINC000070770221 571752494 /nfs/dbraw/zinc/75/24/94/571752494.db2.gz BJRFLPGWQKMIEB-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@@H]1CC[C@H](O)C1 ZINC000070771189 571752688 /nfs/dbraw/zinc/75/26/88/571752688.db2.gz UXZACIPMXTYPMI-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@H]1CC[C@H](O)C1 ZINC000070771193 572740843 /nfs/dbraw/zinc/74/08/43/572740843.db2.gz UXZACIPMXTYPMI-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@@H]1CCC[C@H](O)C1 ZINC000070773293 571753608 /nfs/dbraw/zinc/75/36/08/571753608.db2.gz BTVYXFIQTYSWFB-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@H]1CCC[C@H](O)C1 ZINC000070773294 571752885 /nfs/dbraw/zinc/75/28/85/571752885.db2.gz BTVYXFIQTYSWFB-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@@H]1CCC[C@@H](O)C1 ZINC000070773299 571751934 /nfs/dbraw/zinc/75/19/34/571751934.db2.gz BTVYXFIQTYSWFB-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@H]1CCC[C@@H](O)C1 ZINC000070773304 571753787 /nfs/dbraw/zinc/75/37/87/571753787.db2.gz BTVYXFIQTYSWFB-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN O[C@H]1CCC[C@@H](CC2CCCCC2)C1 ZINC000070774002 343531218 /nfs/dbraw/zinc/53/12/18/343531218.db2.gz WWMQGASKGHNSIO-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN O[C@H]1CCC[C@H](CC2CCCCC2)C1 ZINC000070774006 343531155 /nfs/dbraw/zinc/53/11/55/343531155.db2.gz WWMQGASKGHNSIO-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H]1CCC[C@@H](CC2CCCCC2)C1 ZINC000070774009 343531178 /nfs/dbraw/zinc/53/11/78/343531178.db2.gz WWMQGASKGHNSIO-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H]1CCC[C@H](CC2CCCCC2)C1 ZINC000070774011 343531160 /nfs/dbraw/zinc/53/11/60/343531160.db2.gz WWMQGASKGHNSIO-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H](O)CCCC1CCCC1 ZINC000070774819 571753207 /nfs/dbraw/zinc/75/32/07/571753207.db2.gz NKPJDVPXHDHAEP-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@@H](O)CCCC1CCCC1 ZINC000070774822 571753382 /nfs/dbraw/zinc/75/33/82/571753382.db2.gz NKPJDVPXHDHAEP-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@H](O)CC[C@@H]1CCC[C@H](C)C1 ZINC000070774880 571752300 /nfs/dbraw/zinc/75/23/00/571752300.db2.gz HMRXQZBENSSXJW-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](O)CC[C@H]1CCC[C@H](C)C1 ZINC000070774892 571752515 /nfs/dbraw/zinc/75/25/15/571752515.db2.gz HMRXQZBENSSXJW-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](O)CCCCC(C)(C)C ZINC000070775151 571752771 /nfs/dbraw/zinc/75/27/71/571752771.db2.gz TXAARUFYDGOAHH-NSHDSACASA-N 0 0 186.339 3.754 10 0 AHAERN CCC[C@@H](O)CCCCC(C)(C)C ZINC000070775155 571753658 /nfs/dbraw/zinc/75/36/58/571753658.db2.gz TXAARUFYDGOAHH-LLVKDONJSA-N 0 0 186.339 3.754 10 0 AHAERN CCC[C@H](O)CCCC1CCCCC1 ZINC000070775193 571892992 /nfs/dbraw/zinc/89/29/92/571892992.db2.gz ZRKQIMFBVKXKNW-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCC[C@@H](O)CCCC1CCCCC1 ZINC000070775196 571892556 /nfs/dbraw/zinc/89/25/56/571892556.db2.gz ZRKQIMFBVKXKNW-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CCC[C@@H](O)CCC[C@@H](C)CCC ZINC000070775438 571755336 /nfs/dbraw/zinc/75/53/36/571755336.db2.gz OSMFZWYDTQXTLD-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CCC[C@@H](C)CCC[C@@H](O)CCC ZINC000070775442 571756485 /nfs/dbraw/zinc/75/64/85/571756485.db2.gz OSMFZWYDTQXTLD-NEPJUHHUSA-N 0 0 186.339 3.754 10 0 AHAERN CCC[C@H](C)CCC[C@@H](O)CCC ZINC000070775446 571755306 /nfs/dbraw/zinc/75/53/06/571755306.db2.gz OSMFZWYDTQXTLD-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN O[C@H]1CCCC[C@@H](CC2CCCC2)C1 ZINC000070775601 343531659 /nfs/dbraw/zinc/53/16/59/343531659.db2.gz NEJZIOOXTRLAFK-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN O[C@H]1CCCC[C@H](CC2CCCC2)C1 ZINC000070775603 343531631 /nfs/dbraw/zinc/53/16/31/343531631.db2.gz NEJZIOOXTRLAFK-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H]1CCCC[C@@H](CC2CCCC2)C1 ZINC000070775607 343531799 /nfs/dbraw/zinc/53/17/99/343531799.db2.gz NEJZIOOXTRLAFK-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H]1CCCC[C@H](CC2CCCC2)C1 ZINC000070775610 343531640 /nfs/dbraw/zinc/53/16/40/343531640.db2.gz NEJZIOOXTRLAFK-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN CCCCCC[C@@H]1CCCC[C@H](O)C1 ZINC000070775807 571755374 /nfs/dbraw/zinc/75/53/74/571755374.db2.gz QOMXNACJBWOAHO-OLZOCXBDSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@H]1CCCC[C@H](O)C1 ZINC000070775810 571754973 /nfs/dbraw/zinc/75/49/73/571754973.db2.gz QOMXNACJBWOAHO-STQMWFEESA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@@H]1CCCC[C@@H](O)C1 ZINC000070775813 571756053 /nfs/dbraw/zinc/75/60/53/571756053.db2.gz QOMXNACJBWOAHO-CHWSQXEVSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@H]1CCCC[C@@H](O)C1 ZINC000070775816 571756200 /nfs/dbraw/zinc/75/62/00/571756200.db2.gz QOMXNACJBWOAHO-QWHCGFSZSA-N 0 0 198.350 3.898 10 0 AHAERN CCC[C@H](C)C[C@@H]1CCCC[C@H](O)C1 ZINC000070776802 571756615 /nfs/dbraw/zinc/75/66/15/571756615.db2.gz IUYBOHLNZOWTBI-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@H]1CCCC[C@H](O)C1 ZINC000070776809 571756251 /nfs/dbraw/zinc/75/62/51/571756251.db2.gz IUYBOHLNZOWTBI-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](O)CC[C@H]1CCC[C@@H](CC)C1 ZINC000070777234 571755421 /nfs/dbraw/zinc/75/54/21/571755421.db2.gz PJIHUMSVXYIQBE-JHJVBQTASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](O)CC[C@@H]1CCC[C@@H](CC)C1 ZINC000070777240 571756057 /nfs/dbraw/zinc/75/60/57/571756057.db2.gz PJIHUMSVXYIQBE-FRRDWIJNSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](O)CCCC1CCCCC1 ZINC000070777321 571905999 /nfs/dbraw/zinc/90/59/99/571905999.db2.gz MPNVPGWANAPINZ-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CC[C@@H](O)CCCC1CCCCC1 ZINC000070777324 571906261 /nfs/dbraw/zinc/90/62/61/571906261.db2.gz MPNVPGWANAPINZ-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CC[C@@H](O)CC[C@H]1CCCC[C@@H]1CC ZINC000070777645 571755280 /nfs/dbraw/zinc/75/52/80/571755280.db2.gz UHWLHYPJXZIMEY-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](O)CC[C@@H]1CCCC[C@@H]1CC ZINC000070777653 571757161 /nfs/dbraw/zinc/75/71/61/571757161.db2.gz UHWLHYPJXZIMEY-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)[C@@H](O)CC[C@H]1CCC[C@@H](C)C1 ZINC000070777789 571756439 /nfs/dbraw/zinc/75/64/39/571756439.db2.gz HZZPUEPSXOEISA-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@H](O)CC[C@@H]1CCC[C@@H](C)C1 ZINC000070777797 571756416 /nfs/dbraw/zinc/75/64/16/571756416.db2.gz HZZPUEPSXOEISA-AGIUHOORSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@H](O)CCCCC(C)(C)C ZINC000070778110 571757112 /nfs/dbraw/zinc/75/71/12/571757112.db2.gz KPGRGTAVQRSSPA-NSHDSACASA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)[C@H](O)CCCC1CCCCC1 ZINC000070778157 571905994 /nfs/dbraw/zinc/90/59/94/571905994.db2.gz DYNVZGKWDZGHDQ-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)[C@@H](O)CCCC1CCCCC1 ZINC000070778159 571905507 /nfs/dbraw/zinc/90/55/07/571905507.db2.gz DYNVZGKWDZGHDQ-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)CCC[C@H](O)C(C)C ZINC000070778465 571755124 /nfs/dbraw/zinc/75/51/24/571755124.db2.gz PFKXXSHTDAMXQI-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)CCC[C@H](O)C(C)C ZINC000070778468 571756435 /nfs/dbraw/zinc/75/64/35/571756435.db2.gz PFKXXSHTDAMXQI-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](C)CCC[C@@H](O)C(C)C ZINC000070778473 571755208 /nfs/dbraw/zinc/75/52/08/571755208.db2.gz PFKXXSHTDAMXQI-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)CCC[C@@H](O)C(C)C ZINC000070778478 571757568 /nfs/dbraw/zinc/75/75/68/571757568.db2.gz PFKXXSHTDAMXQI-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN O[C@@H](CCCC1CCCCC1)C1CC1 ZINC000070779087 571904886 /nfs/dbraw/zinc/90/48/86/571904886.db2.gz RPNMMWWZDQRVAZ-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@H](CCCC1CCCCC1)C1CC1 ZINC000070779092 571905927 /nfs/dbraw/zinc/90/59/27/571905927.db2.gz RPNMMWWZDQRVAZ-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@@H](C)CCC[C@H](O)C(C)(C)C ZINC000070779953 571756421 /nfs/dbraw/zinc/75/64/21/571756421.db2.gz MBQJKJINEZZPGN-MNOVXSKESA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](C)CCC[C@H](O)C(C)(C)C ZINC000070779957 571755433 /nfs/dbraw/zinc/75/54/33/571755433.db2.gz MBQJKJINEZZPGN-QWRGUYRKSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H](C)CCC[C@@H](O)C(C)(C)C ZINC000070779962 571754817 /nfs/dbraw/zinc/75/48/17/571754817.db2.gz MBQJKJINEZZPGN-GHMZBOCLSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](C)CCC[C@@H](O)C(C)(C)C ZINC000070779974 571755805 /nfs/dbraw/zinc/75/58/05/571755805.db2.gz MBQJKJINEZZPGN-WDEREUQCSA-N 0 0 186.339 3.610 10 0 AHAERN Cc1ccc(-c2cc(N)ccc2C)cc1 ZINC000070994094 571763009 /nfs/dbraw/zinc/76/30/09/571763009.db2.gz WXCODGXHAUZFOK-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1cccc(-c2cc(N)ccc2C)c1 ZINC000070994111 571761512 /nfs/dbraw/zinc/76/15/12/571761512.db2.gz SUEUDEIUYWFANI-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN CCCC[C@@H](CC)CCC(=O)C1CC1 ZINC000071002887 571766720 /nfs/dbraw/zinc/76/67/20/571766720.db2.gz WZUXSSACTWNDHR-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H](CC)CCC(=O)C1CC1 ZINC000071002889 571766130 /nfs/dbraw/zinc/76/61/30/571766130.db2.gz WZUXSSACTWNDHR-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@@H](CC)CC[C@H](O)C1CC1 ZINC000071007720 571765569 /nfs/dbraw/zinc/76/55/69/571765569.db2.gz ZDFIBFLOEINMSX-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)CC[C@H](O)C1CC1 ZINC000071007725 571765736 /nfs/dbraw/zinc/76/57/36/571765736.db2.gz ZDFIBFLOEINMSX-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](CC)CC[C@@H](O)C1CC1 ZINC000071007727 571764945 /nfs/dbraw/zinc/76/49/45/571764945.db2.gz ZDFIBFLOEINMSX-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)CC[C@@H](O)C1CC1 ZINC000071007731 571765566 /nfs/dbraw/zinc/76/55/66/571765566.db2.gz ZDFIBFLOEINMSX-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN Fc1ccc2cc(Cl)ccc2c1 ZINC000071256907 169084890 /nfs/dbraw/zinc/08/48/90/169084890.db2.gz QWAOODAKUAYDQK-UHFFFAOYSA-N 0 0 180.609 3.632 10 0 AHAERN Clc1cc2c(c(Cl)c1)CC=C2 ZINC000071259690 169021020 /nfs/dbraw/zinc/02/10/20/169021020.db2.gz DGQRYUZVROHFOU-UHFFFAOYSA-N 0 0 185.053 3.563 10 0 AHAERN Fc1ccc(/C=C/c2ccccc2)cc1 ZINC000071260668 169081805 /nfs/dbraw/zinc/08/18/05/169081805.db2.gz LVDRRTRBRXDRIP-VOTSOKGWSA-N 0 0 198.240 3.996 10 0 AHAERN CCNc1c(C)ccc2ccccc21 ZINC000071445839 167303434 /nfs/dbraw/zinc/30/34/34/167303434.db2.gz PUIGMKSCFCFVHK-UHFFFAOYSA-N 0 0 185.270 3.580 10 0 AHAERN CCNc1ccc(C)c2ccccc12 ZINC000071450935 171107380 /nfs/dbraw/zinc/10/73/80/171107380.db2.gz SHSCQQJUMQBULS-UHFFFAOYSA-N 0 0 185.270 3.580 10 0 AHAERN CCCSc1ccc(NCC)cc1 ZINC000071453222 572053748 /nfs/dbraw/zinc/05/37/48/572053748.db2.gz RPHNUKDSTNHNJM-UHFFFAOYSA-N 0 0 195.331 3.621 10 0 AHAERN CCNc1ccc(SC(C)C)cc1 ZINC000071454113 167309882 /nfs/dbraw/zinc/30/98/82/167309882.db2.gz ZQEXQZDCTBFQAV-UHFFFAOYSA-N 0 0 195.331 3.619 10 0 AHAERN CCNc1cc(C)ccc1SCC ZINC000071454355 167307652 /nfs/dbraw/zinc/30/76/52/167307652.db2.gz MDSBQABBYKNMJH-UHFFFAOYSA-N 0 0 195.331 3.539 10 0 AHAERN CCCSc1ccc(C)cc1NC ZINC000071454407 167025154 /nfs/dbraw/zinc/02/51/54/167025154.db2.gz CDKUCKCBDSJTPI-UHFFFAOYSA-N 0 0 195.331 3.539 10 0 AHAERN CNc1cc(C)ccc1SC(C)C ZINC000071454517 168064616 /nfs/dbraw/zinc/06/46/16/168064616.db2.gz WAZIBZJEKBFDJJ-UHFFFAOYSA-N 0 0 195.331 3.537 10 0 AHAERN CCCc1c(O)cc(C)c(Cl)c1C ZINC000071454990 167099481 /nfs/dbraw/zinc/09/94/81/167099481.db2.gz GBFUGICSIQRQKR-UHFFFAOYSA-N 0 0 198.693 3.615 10 0 AHAERN CCNc1cc(C(C)(C)C)ccc1C ZINC000071456275 167307572 /nfs/dbraw/zinc/30/75/72/167307572.db2.gz DMDKOSUUIOVWBX-UHFFFAOYSA-N 0 0 191.318 3.724 10 0 AHAERN CC(C)c1ccc2cccc(O)c2c1 ZINC000071477568 343552667 /nfs/dbraw/zinc/55/26/67/343552667.db2.gz WZHUAKZRYWYZOV-UHFFFAOYSA-N 0 0 186.254 3.669 10 0 AHAERN CC1=Cc2cccc(C(C)C)c2NC1 ZINC000071479758 572827153 /nfs/dbraw/zinc/82/71/53/572827153.db2.gz CFAMHEVORXBOEH-UHFFFAOYSA-N 0 0 187.286 3.639 10 0 AHAERN CC1=Cc2cc(C(C)C)ccc2NC1 ZINC000071479759 572825301 /nfs/dbraw/zinc/82/53/01/572825301.db2.gz MADWQPQVCLSIPC-UHFFFAOYSA-N 0 0 187.286 3.639 10 0 AHAERN CC(C)c1cccc2c1N[C@H](C)C=C2 ZINC000071479795 572826947 /nfs/dbraw/zinc/82/69/47/572826947.db2.gz IOQTZKHBSUINIR-SNVBAGLBSA-N 0 0 187.286 3.637 10 0 AHAERN CC(C)c1cccc2c1N[C@@H](C)C=C2 ZINC000071479796 572826755 /nfs/dbraw/zinc/82/67/55/572826755.db2.gz IOQTZKHBSUINIR-JTQLQIEISA-N 0 0 187.286 3.637 10 0 AHAERN CC(C)c1ccc2c(c1)C=C[C@@H](C)N2 ZINC000071479797 572825480 /nfs/dbraw/zinc/82/54/80/572825480.db2.gz NIZMDDQTOBQMTA-SNVBAGLBSA-N 0 0 187.286 3.637 10 0 AHAERN CC(C)c1ccc2c(c1)C=C[C@H](C)N2 ZINC000071479798 572825309 /nfs/dbraw/zinc/82/53/09/572825309.db2.gz NIZMDDQTOBQMTA-JTQLQIEISA-N 0 0 187.286 3.637 10 0 AHAERN CC(C)c1cccc2c1N[C@H](C)CC2 ZINC000071479832 572825179 /nfs/dbraw/zinc/82/51/79/572825179.db2.gz HYKMEQLGPXMKIS-SNVBAGLBSA-N 0 0 189.302 3.557 10 0 AHAERN CC(C)c1cccc2c1N[C@@H](C)CC2 ZINC000071479833 572825462 /nfs/dbraw/zinc/82/54/62/572825462.db2.gz HYKMEQLGPXMKIS-JTQLQIEISA-N 0 0 189.302 3.557 10 0 AHAERN CC(C)c1ccc2c(c1)CC[C@@H](C)N2 ZINC000071479834 166634483 /nfs/dbraw/zinc/63/44/83/166634483.db2.gz VDOINVZJXDUPIR-SNVBAGLBSA-N 0 0 189.302 3.557 10 0 AHAERN CC(C)c1ccc2c(c1)CC[C@H](C)N2 ZINC000071479835 572824797 /nfs/dbraw/zinc/82/47/97/572824797.db2.gz VDOINVZJXDUPIR-JTQLQIEISA-N 0 0 189.302 3.557 10 0 AHAERN Cc1cc(C)c2c(Cl)nccc2c1 ZINC000071482444 343553540 /nfs/dbraw/zinc/55/35/40/343553540.db2.gz JGUCYTBNHDGHKN-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN Cc1ccc(C)c2c(Cl)nccc12 ZINC000071482447 168806318 /nfs/dbraw/zinc/80/63/18/168806318.db2.gz LQHCZJKZVFVVAQ-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CC(C)c1ccc2c(c1)[C@@H](C)[C@@H](C)N2 ZINC000071484383 572850514 /nfs/dbraw/zinc/85/05/14/572850514.db2.gz ZRRWKCQZSFSFEJ-VHSXEESVSA-N 0 0 189.302 3.728 10 0 AHAERN CC(C)c1ccc2c(c1)[C@H](C)[C@@H](C)N2 ZINC000071484385 572848824 /nfs/dbraw/zinc/84/88/24/572848824.db2.gz ZRRWKCQZSFSFEJ-NXEZZACHSA-N 0 0 189.302 3.728 10 0 AHAERN CC(C)c1ccc2c(c1)[C@@H](C)[C@H](C)N2 ZINC000071484387 572847404 /nfs/dbraw/zinc/84/74/04/572847404.db2.gz ZRRWKCQZSFSFEJ-UWVGGRQHSA-N 0 0 189.302 3.728 10 0 AHAERN CC(C)c1ccc2c(c1)[C@H](C)[C@H](C)N2 ZINC000071484388 572850207 /nfs/dbraw/zinc/85/02/07/572850207.db2.gz ZRRWKCQZSFSFEJ-ZJUUUORDSA-N 0 0 189.302 3.728 10 0 AHAERN CC(C)c1cccc2c1N[C@H](C)[C@@H]2C ZINC000071484473 572848033 /nfs/dbraw/zinc/84/80/33/572848033.db2.gz ODADGDPWTFRHLP-VHSXEESVSA-N 0 0 189.302 3.728 10 0 AHAERN CC(C)c1cccc2c1N[C@H](C)[C@H]2C ZINC000071484475 572109345 /nfs/dbraw/zinc/10/93/45/572109345.db2.gz ODADGDPWTFRHLP-NXEZZACHSA-N 0 0 189.302 3.728 10 0 AHAERN CC(C)c1cccc2c1N[C@@H](C)[C@@H]2C ZINC000071484477 572106625 /nfs/dbraw/zinc/10/66/25/572106625.db2.gz ODADGDPWTFRHLP-UWVGGRQHSA-N 0 0 189.302 3.728 10 0 AHAERN CC(C)c1cccc2c1N[C@@H](C)[C@H]2C ZINC000071484480 572849825 /nfs/dbraw/zinc/84/98/25/572849825.db2.gz ODADGDPWTFRHLP-ZJUUUORDSA-N 0 0 189.302 3.728 10 0 AHAERN CC(C)c1ccc2c(c1)C(C)(C)CN2 ZINC000071484945 166633546 /nfs/dbraw/zinc/63/35/46/166633546.db2.gz HXBARTLQNQTBCY-UHFFFAOYSA-N 0 0 189.302 3.513 10 0 AHAERN CC(C)c1cccc2c1NCC2(C)C ZINC000071484957 572828835 /nfs/dbraw/zinc/82/88/35/572828835.db2.gz FDJVNJUSFDHUBJ-UHFFFAOYSA-N 0 0 189.302 3.513 10 0 AHAERN C[C@@H]1CNc2ccc(C(C)(C)C)cc21 ZINC000071486297 572828526 /nfs/dbraw/zinc/82/85/26/572828526.db2.gz UAEDAAVBPLORPH-SECBINFHSA-N 0 0 189.302 3.513 10 0 AHAERN C[C@H]1CNc2ccc(C(C)(C)C)cc21 ZINC000071486299 168644358 /nfs/dbraw/zinc/64/43/58/168644358.db2.gz UAEDAAVBPLORPH-VIFPVBQESA-N 0 0 189.302 3.513 10 0 AHAERN CC[C@@H]1CNc2ccc(C(C)C)cc21 ZINC000071486346 572828684 /nfs/dbraw/zinc/82/86/84/572828684.db2.gz WVEHPKCHXYZCPV-SNVBAGLBSA-N 0 0 189.302 3.729 10 0 AHAERN CC[C@H]1CNc2ccc(C(C)C)cc21 ZINC000071486348 572827901 /nfs/dbraw/zinc/82/79/01/572827901.db2.gz WVEHPKCHXYZCPV-JTQLQIEISA-N 0 0 189.302 3.729 10 0 AHAERN CC[C@@H]1CNc2c1cccc2C(C)C ZINC000071486373 572830583 /nfs/dbraw/zinc/83/05/83/572830583.db2.gz XGIKMNWBTRNAGP-SNVBAGLBSA-N 0 0 189.302 3.729 10 0 AHAERN CC[C@H]1CNc2c1cccc2C(C)C ZINC000071486375 572828045 /nfs/dbraw/zinc/82/80/45/572828045.db2.gz XGIKMNWBTRNAGP-JTQLQIEISA-N 0 0 189.302 3.729 10 0 AHAERN CC(C)[C@@H]1CNc2ccc(Cl)cc21 ZINC000071486426 166590398 /nfs/dbraw/zinc/59/03/98/166590398.db2.gz CDCMUFKCXIOWEW-JTQLQIEISA-N 0 0 195.693 3.505 10 0 AHAERN CC(C)[C@H]1CNc2ccc(Cl)cc21 ZINC000071486428 343554016 /nfs/dbraw/zinc/55/40/16/343554016.db2.gz CDCMUFKCXIOWEW-SNVBAGLBSA-N 0 0 195.693 3.505 10 0 AHAERN CC(C)[C@@H]1CNc2c1cccc2Cl ZINC000071486449 343554176 /nfs/dbraw/zinc/55/41/76/343554176.db2.gz UMRQDENBJXWFAR-VIFPVBQESA-N 0 0 195.693 3.505 10 0 AHAERN CC(C)[C@H]1CNc2c1cccc2Cl ZINC000071486451 343554147 /nfs/dbraw/zinc/55/41/47/343554147.db2.gz UMRQDENBJXWFAR-SECBINFHSA-N 0 0 195.693 3.505 10 0 AHAERN Cc1ccc2ccc(Cl)cc2c1O ZINC000071489880 572827759 /nfs/dbraw/zinc/82/77/59/572827759.db2.gz XFTNXFZZSJMTRJ-UHFFFAOYSA-N 0 0 192.645 3.507 10 0 AHAERN Cc1ccc2c(Cl)cccc2c1O ZINC000071489897 572828686 /nfs/dbraw/zinc/82/86/86/572828686.db2.gz NXPVAVJEVFJBAY-UHFFFAOYSA-N 0 0 192.645 3.507 10 0 AHAERN Cc1ccc2sc(Cl)cc2c1O ZINC000071489901 572830136 /nfs/dbraw/zinc/83/01/36/572830136.db2.gz HPMUMTDUFPVBBB-UHFFFAOYSA-N 0 0 198.674 3.569 10 0 AHAERN Cc1cc2cc(C(C)C)ccc2[nH]1 ZINC000071494922 343554070 /nfs/dbraw/zinc/55/40/70/343554070.db2.gz ZZABNZLLIORENK-UHFFFAOYSA-N 0 0 173.259 3.600 10 0 AHAERN Cc1cc2cc(C(C)(C)C)ccc2[nH]1 ZINC000071494923 572833501 /nfs/dbraw/zinc/83/35/01/572833501.db2.gz CZMGIXOZUYGLMA-UHFFFAOYSA-N 0 0 187.286 3.774 10 0 AHAERN Cc1cc2cc(C(C)C)ccc2n1C ZINC000071494927 572832947 /nfs/dbraw/zinc/83/29/47/572832947.db2.gz JOCKNCSVYBTNPE-UHFFFAOYSA-N 0 0 187.286 3.610 10 0 AHAERN Cc1cc2cccc(C(C)C)c2n1C ZINC000071494936 168790336 /nfs/dbraw/zinc/79/03/36/168790336.db2.gz HKLSJINCAPGVRX-UHFFFAOYSA-N 0 0 187.286 3.610 10 0 AHAERN CNc1ccc(C2CCCCC2)cc1 ZINC000071500540 171107706 /nfs/dbraw/zinc/10/77/06/171107706.db2.gz UUWIPIJVBXYZJH-UHFFFAOYSA-N 0 0 189.302 3.776 10 0 AHAERN CNc1c(C)cc(C(C)(C)C)cc1C ZINC000071506019 168063103 /nfs/dbraw/zinc/06/31/03/168063103.db2.gz CTAQQRBNBWDGTC-UHFFFAOYSA-N 0 0 191.318 3.643 10 0 AHAERN Cc1cc(N)cc(-c2ccccc2C)c1 ZINC000071507545 572901166 /nfs/dbraw/zinc/90/11/66/572901166.db2.gz VQODTHQBXWUTIU-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1cccc(-c2cc(C)cc(N)c2)c1 ZINC000071507546 572176025 /nfs/dbraw/zinc/17/60/25/572176025.db2.gz IAPSTSDWYZESHU-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1ccc(-c2cc(C)cc(N)c2)cc1 ZINC000071507547 572178920 /nfs/dbraw/zinc/17/89/20/572178920.db2.gz ANBZGIWXGFDWEO-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Fc1cccc(-c2ccccc2)c1F ZINC000071617226 169086854 /nfs/dbraw/zinc/08/68/54/169086854.db2.gz YHAYNOYJLJHNSE-UHFFFAOYSA-N 0 0 190.192 3.632 10 0 AHAERN Fc1cc(Cl)c(Cl)cc1Cl ZINC000071617576 171108697 /nfs/dbraw/zinc/10/86/97/171108697.db2.gz BPLBJDXWALACBD-UHFFFAOYSA-N 0 0 199.439 3.786 10 0 AHAERN CC1=CC[C@H](C(C)(C)Cl)CC1 ZINC000071618172 343557168 /nfs/dbraw/zinc/55/71/68/343557168.db2.gz JDMWYZSPJDXSOB-VIFPVBQESA-N 0 0 172.699 3.750 10 0 AHAERN CC1=CC[C@@H](C(C)(C)Cl)CC1 ZINC000071618173 343556903 /nfs/dbraw/zinc/55/69/03/343556903.db2.gz JDMWYZSPJDXSOB-SECBINFHSA-N 0 0 172.699 3.750 10 0 AHAERN CC1=CC(C)=CC(C)=CC(C)=C1 ZINC000071785373 573887588 /nfs/dbraw/zinc/88/75/88/573887588.db2.gz XKORXPJTRSPQHR-UHFFFAOYSA-N 0 0 160.260 3.785 10 0 AHAERN C1=CC[C@]23CC[C@]2(C1)CCCC3 ZINC000071785545 166076729 /nfs/dbraw/zinc/07/67/29/166076729.db2.gz XKPMOIBNQWMLPE-RYUDHWBXSA-N 0 0 162.276 3.677 10 0 AHAERN C1=CC[C@]23CC[C@@]2(C1)CCCC3 ZINC000071785546 166076272 /nfs/dbraw/zinc/07/62/72/166076272.db2.gz XKPMOIBNQWMLPE-TXEJJXNPSA-N 0 0 162.276 3.677 10 0 AHAERN CC1=C(C)C=CC(C)=C(C)C=C1 ZINC000071785759 571944616 /nfs/dbraw/zinc/94/46/16/571944616.db2.gz ACZMPCLZOUDWJX-UHFFFAOYSA-N 0 0 160.260 3.785 10 0 AHAERN C1=C[C@@H]2C3=CCC=C3[C@H]1C21CCCC1 ZINC000071786489 166080222 /nfs/dbraw/zinc/08/02/22/166080222.db2.gz MJZCJZDEOFVTRM-BETUJISGSA-N 0 0 184.282 3.619 10 0 AHAERN CC(C)C12CC3CC(CC(C3)C1)C2 ZINC000071789881 351613779 /nfs/dbraw/zinc/61/37/79/351613779.db2.gz ISDSLPMQFWIUPU-UHFFFAOYSA-N 0 0 178.319 3.859 10 0 AHAERN CC[C@@H](C)C(C)[C@@H](C)CC ZINC000071789895 167596505 /nfs/dbraw/zinc/59/65/05/167596505.db2.gz LJIIBBYARMPSMT-ULKQDVFKSA-N 0 0 142.286 3.715 10 0 AHAERN CCc1cc(C)cc(C(F)(F)F)c1 ZINC000071791866 572868042 /nfs/dbraw/zinc/86/80/42/572868042.db2.gz ILJLVWWWLWSARH-UHFFFAOYSA-N 0 0 188.192 3.576 10 0 AHAERN CCC1CCC(C(F)(F)F)CC1 ZINC000071791902 573892502 /nfs/dbraw/zinc/89/25/02/573892502.db2.gz IDGKDUVJCWVLEI-UHFFFAOYSA-N 0 0 180.213 3.765 10 0 AHAERN Cc1ccc2ncc(C)c(Cl)c2c1 ZINC000072237001 343567493 /nfs/dbraw/zinc/56/74/93/343567493.db2.gz XDAPMXLMSNIMCG-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CCC(CC)Cc1csc(C=O)c1 ZINC000074241019 572453001 /nfs/dbraw/zinc/45/30/01/572453001.db2.gz VMSXLIONEISYIO-UHFFFAOYSA-N 0 0 196.315 3.539 10 0 AHAERN CCC(CC)Cc1ccsc1C=O ZINC000074241020 572453700 /nfs/dbraw/zinc/45/37/00/572453700.db2.gz LQHJOQIUXDOXMW-UHFFFAOYSA-N 0 0 196.315 3.539 10 0 AHAERN Cc1scc(N)c1C1CCCCC1 ZINC000074242988 572462345 /nfs/dbraw/zinc/46/23/45/572462345.db2.gz SMKSFEGGAPPLCK-UHFFFAOYSA-N 0 0 195.331 3.686 10 0 AHAERN O=Cc1sccc1C1CCCCC1 ZINC000074245702 572468317 /nfs/dbraw/zinc/46/83/17/572468317.db2.gz GDTGBIOVJCRDJW-UHFFFAOYSA-N 0 0 194.299 3.608 10 0 AHAERN Cc1sc(C=O)cc1C1CCCC1 ZINC000074245703 572470020 /nfs/dbraw/zinc/47/00/20/572470020.db2.gz BSXNGQNTISAFQL-UHFFFAOYSA-N 0 0 194.299 3.527 10 0 AHAERN Cc1ccc2c(c1)[C@H](C(C)C)CCN2 ZINC000074275412 572523792 /nfs/dbraw/zinc/52/37/92/572523792.db2.gz FJCPJSFKGFVBRO-NSHDSACASA-N 0 0 189.302 3.550 10 0 AHAERN Cc1ccc2c(c1)[C@@H](C(C)C)CCN2 ZINC000074275414 572524005 /nfs/dbraw/zinc/52/40/05/572524005.db2.gz FJCPJSFKGFVBRO-LLVKDONJSA-N 0 0 189.302 3.550 10 0 AHAERN c1csc(NC2CCCCCC2)c1 ZINC000075122858 572817113 /nfs/dbraw/zinc/81/71/13/572817113.db2.gz WDRSIJDXQIWCSJ-UHFFFAOYSA-N 0 0 195.331 3.883 10 0 AHAERN CC1CCC(Nc2cccs2)CC1 ZINC000075122859 572815431 /nfs/dbraw/zinc/81/54/31/572815431.db2.gz GCPGLSIDCKALIT-UHFFFAOYSA-N 0 0 195.331 3.739 10 0 AHAERN CCn1ccc2cc(C(C)C)ccc21 ZINC000075232810 573508383 /nfs/dbraw/zinc/50/83/83/573508383.db2.gz VHLREFRHTIKNPH-UHFFFAOYSA-N 0 0 187.286 3.785 10 0 AHAERN CCCn1ccc2cc(CC)ccc21 ZINC000075233144 573509180 /nfs/dbraw/zinc/50/91/80/573509180.db2.gz CGYYHVXXGQVRQM-UHFFFAOYSA-N 0 0 187.286 3.614 10 0 AHAERN CCc1ccc2c(ccn2C(C)C)c1 ZINC000075233151 573507697 /nfs/dbraw/zinc/50/76/97/573507697.db2.gz OHUHJUNVYJUKLN-UHFFFAOYSA-N 0 0 187.286 3.785 10 0 AHAERN CCCCn1ccc2cc(C)ccc21 ZINC000075233496 573505947 /nfs/dbraw/zinc/50/59/47/573505947.db2.gz HKMLTQCJMCJLFT-UHFFFAOYSA-N 0 0 187.286 3.750 10 0 AHAERN Cc1ccc2c(ccn2C(C)C)c1 ZINC000075233502 573509112 /nfs/dbraw/zinc/50/91/12/573509112.db2.gz BHDCFHMJGNBNEM-UHFFFAOYSA-N 0 0 173.259 3.531 10 0 AHAERN Cc1ccc2c(ccn2CC(C)C)c1 ZINC000075233504 573508676 /nfs/dbraw/zinc/50/86/76/573508676.db2.gz YQJXYEXYUCEIFB-UHFFFAOYSA-N 0 0 187.286 3.606 10 0 AHAERN CCCn1ccc2cc(Cl)ccc21 ZINC000075233805 167120395 /nfs/dbraw/zinc/12/03/95/167120395.db2.gz VSOKLEMRXYURCZ-UHFFFAOYSA-N 0 0 193.677 3.705 10 0 AHAERN CCCCn1ccc2cc(F)ccc21 ZINC000075234145 573508158 /nfs/dbraw/zinc/50/81/58/573508158.db2.gz BJWRLSDMLRJFEM-UHFFFAOYSA-N 0 0 191.249 3.581 10 0 AHAERN CC(C)c1ccc2sccc2c1N ZINC000075397103 573555137 /nfs/dbraw/zinc/55/51/37/573555137.db2.gz ICXKCOFGKICTSN-UHFFFAOYSA-N 0 0 191.299 3.607 10 0 AHAERN CC(C)c1cc2scc(N)c2s1 ZINC000075465483 572856836 /nfs/dbraw/zinc/85/68/36/572856836.db2.gz ODZGZLGCLGUXKF-UHFFFAOYSA-N 0 0 197.328 3.668 10 0 AHAERN O=Cc1cscc1C1CCCCC1 ZINC000075525118 573599127 /nfs/dbraw/zinc/59/91/27/573599127.db2.gz MKTRZEMEDXBCCT-UHFFFAOYSA-N 0 0 194.299 3.608 10 0 AHAERN C/C=C(\Cl)[C@@H](C)c1ccccc1N ZINC000075598654 572881917 /nfs/dbraw/zinc/88/19/17/572881917.db2.gz JTHDDYPKTPGLRP-RRHFRXRFSA-N 0 0 195.693 3.515 10 0 AHAERN C/C=C(\Cl)[C@H](C)c1ccccc1N ZINC000075598659 572880954 /nfs/dbraw/zinc/88/09/54/572880954.db2.gz JTHDDYPKTPGLRP-CZRQKWQQSA-N 0 0 195.693 3.515 10 0 AHAERN CCNc1ccc(C(C)C)c(C)c1 ZINC000075824434 171115187 /nfs/dbraw/zinc/11/51/87/171115187.db2.gz NHHMXLGDPKUQTR-UHFFFAOYSA-N 0 0 177.291 3.550 10 0 AHAERN Cc1cc(NC(C)C)ccc1C(C)C ZINC000075824462 168769492 /nfs/dbraw/zinc/76/94/92/168769492.db2.gz CADRTGBNHBFTLI-UHFFFAOYSA-N 0 0 191.318 3.939 10 0 AHAERN CC[C@@H](C)c1ccc(C)cc1 ZINC000075838795 371649013 /nfs/dbraw/zinc/64/90/13/371649013.db2.gz LWCFXYMSEGQWNB-SNVBAGLBSA-N 0 0 148.249 3.509 10 0 AHAERN CC[C@H](C)c1ccc(C)cc1 ZINC000075838796 343578463 /nfs/dbraw/zinc/57/84/63/343578463.db2.gz LWCFXYMSEGQWNB-JTQLQIEISA-N 0 0 148.249 3.509 10 0 AHAERN Cc1ccc(F)c(C(C)C)c1Cl ZINC000075838831 572903766 /nfs/dbraw/zinc/90/37/66/572903766.db2.gz XDEYUAJLCKWOAV-UHFFFAOYSA-N 0 0 186.657 3.911 10 0 AHAERN Cc1c(F)c(C(C)C)ccc1Cl ZINC000075838833 572902443 /nfs/dbraw/zinc/90/24/43/572902443.db2.gz RNMSPIIRTBHPBR-UHFFFAOYSA-N 0 0 186.657 3.911 10 0 AHAERN Cc1ccc(Cl)c(C(C)C)c1F ZINC000075838834 572902243 /nfs/dbraw/zinc/90/22/43/572902243.db2.gz IDHQIMJKTKOPAG-UHFFFAOYSA-N 0 0 186.657 3.911 10 0 AHAERN Cc1cc(C)c(C(C)C)c(C)c1 ZINC000075838888 343578269 /nfs/dbraw/zinc/57/82/69/343578269.db2.gz OBSKMRWMGXHFRO-UHFFFAOYSA-N 0 0 162.276 3.735 10 0 AHAERN Cc1ccc(Cl)cc1C(C)C ZINC000075838894 573706390 /nfs/dbraw/zinc/70/63/90/573706390.db2.gz ISPBEETWYSGCDQ-UHFFFAOYSA-N 0 0 168.667 3.772 10 0 AHAERN CC(C)c1ccc2c(c1)CCCC2 ZINC000075838899 573704065 /nfs/dbraw/zinc/70/40/65/573704065.db2.gz OKJDRCDBHNDGRV-UHFFFAOYSA-N 0 0 174.287 3.689 10 0 AHAERN CC(C)c1ccccc1C(F)(F)F ZINC000075838913 171115311 /nfs/dbraw/zinc/11/53/11/171115311.db2.gz LRMXTWCDIPSDCW-UHFFFAOYSA-N 0 0 188.192 3.829 10 0 AHAERN CC(C)c1cccc(C(F)(F)F)c1 ZINC000075838915 171115034 /nfs/dbraw/zinc/11/50/34/171115034.db2.gz BYPOENRTPJTXAT-UHFFFAOYSA-N 0 0 188.192 3.829 10 0 AHAERN COc1cc(Cl)c(C)cc1C(C)C ZINC000075838924 572902574 /nfs/dbraw/zinc/90/25/74/572902574.db2.gz HNBFJMNVQYAXMK-UHFFFAOYSA-N 0 0 198.693 3.780 10 0 AHAERN CC(=O)c1ccc(Cl)c(C(C)C)c1 ZINC000075838959 572902572 /nfs/dbraw/zinc/90/25/72/572902572.db2.gz CGPHUJUXCQDNOF-UHFFFAOYSA-N 0 0 196.677 3.666 10 0 AHAERN CC(=O)c1cc(Cl)cc(C(C)C)c1 ZINC000075838962 572903206 /nfs/dbraw/zinc/90/32/06/572903206.db2.gz MRYGIALWLUAVJF-UHFFFAOYSA-N 0 0 196.677 3.666 10 0 AHAERN CC(C)c1nc2ccc(F)cc2s1 ZINC000075839004 573707291 /nfs/dbraw/zinc/70/72/91/573707291.db2.gz RBPWBBHPPHWRDU-UHFFFAOYSA-N 0 0 195.262 3.559 10 0 AHAERN CC(C)c1nc2cc(F)ccc2s1 ZINC000075839005 573704481 /nfs/dbraw/zinc/70/44/81/573704481.db2.gz GULTURJZUJKANH-UHFFFAOYSA-N 0 0 195.262 3.559 10 0 AHAERN Cc1ccc2nc(C(C)C)sc2c1 ZINC000075839024 573706865 /nfs/dbraw/zinc/70/68/65/573706865.db2.gz ZPWUAVXLBCNQMC-UHFFFAOYSA-N 0 0 191.299 3.728 10 0 AHAERN Cc1ccc2sc(C(C)C)nc2c1 ZINC000075839026 573706263 /nfs/dbraw/zinc/70/62/63/573706263.db2.gz CTNFDVFKESMTCW-UHFFFAOYSA-N 0 0 191.299 3.728 10 0 AHAERN Cc1cccc2sc(C(C)C)nc21 ZINC000075839055 573703401 /nfs/dbraw/zinc/70/34/01/573703401.db2.gz IUQGYADCKOVDJZ-UHFFFAOYSA-N 0 0 191.299 3.728 10 0 AHAERN CC(C)c1nc2ccc(Cl)cc2o1 ZINC000075839256 572902174 /nfs/dbraw/zinc/90/21/74/572902174.db2.gz YGXNWJXCHZOWIF-UHFFFAOYSA-N 0 0 195.649 3.605 10 0 AHAERN Cc1ccccc1[C@@H](C)C(F)(F)F ZINC000075839454 572902216 /nfs/dbraw/zinc/90/22/16/572902216.db2.gz QSMPPLWIBVFAJT-MRVPVSSYSA-N 0 0 188.192 3.661 10 0 AHAERN Cc1ccccc1[C@H](C)C(F)(F)F ZINC000075839456 572902354 /nfs/dbraw/zinc/90/23/54/572902354.db2.gz QSMPPLWIBVFAJT-QMMMGPOBSA-N 0 0 188.192 3.661 10 0 AHAERN Cc1cccc([C@@H](C)C(F)(F)F)c1 ZINC000075839457 572903758 /nfs/dbraw/zinc/90/37/58/572903758.db2.gz NRHPOIWYGJVOFA-MRVPVSSYSA-N 0 0 188.192 3.661 10 0 AHAERN Cc1cccc([C@H](C)C(F)(F)F)c1 ZINC000075839459 572903301 /nfs/dbraw/zinc/90/33/01/572903301.db2.gz NRHPOIWYGJVOFA-QMMMGPOBSA-N 0 0 188.192 3.661 10 0 AHAERN Cc1cccc(C2CCCC2)c1F ZINC000075840441 572902352 /nfs/dbraw/zinc/90/23/52/572902352.db2.gz HIBZURKDSBJUSP-UHFFFAOYSA-N 0 0 178.250 3.792 10 0 AHAERN Fc1cccc(C2CCCC2)c1F ZINC000075840444 169086138 /nfs/dbraw/zinc/08/61/38/169086138.db2.gz FBTAUUILEANNSU-UHFFFAOYSA-N 0 0 182.213 3.622 10 0 AHAERN Fc1ccc(F)c(C2CCCC2)c1 ZINC000075840446 572903779 /nfs/dbraw/zinc/90/37/79/572903779.db2.gz JLHKTTBBUYGNKZ-UHFFFAOYSA-N 0 0 182.213 3.622 10 0 AHAERN Fc1cccc(F)c1C1CCCC1 ZINC000075840450 169086606 /nfs/dbraw/zinc/08/66/06/169086606.db2.gz VDKZOEGRDAQHIX-UHFFFAOYSA-N 0 0 182.213 3.622 10 0 AHAERN Cc1ccccc1C1CCCC1 ZINC000075840511 171115248 /nfs/dbraw/zinc/11/52/48/171115248.db2.gz GPEOILIUFBLQOG-UHFFFAOYSA-N 0 0 160.260 3.653 10 0 AHAERN Cc1cccc(C2CCCC2)c1 ZINC000075840514 168863538 /nfs/dbraw/zinc/86/35/38/168863538.db2.gz LQSJMMISQXCGDE-UHFFFAOYSA-N 0 0 160.260 3.653 10 0 AHAERN Cc1cccc(C)c1C1CCCC1 ZINC000075840519 572902860 /nfs/dbraw/zinc/90/28/60/572902860.db2.gz WQIOBJFOAUEMJD-UHFFFAOYSA-N 0 0 174.287 3.961 10 0 AHAERN Cc1ccc(C2CCCC2)cc1C ZINC000075840520 168809074 /nfs/dbraw/zinc/80/90/74/168809074.db2.gz ASXSLLOIAKGGFI-UHFFFAOYSA-N 0 0 174.287 3.961 10 0 AHAERN Clc1cccc(C2CCCC2)c1 ZINC000075840534 572902196 /nfs/dbraw/zinc/90/21/96/572902196.db2.gz YVKCZRXLMUODDT-UHFFFAOYSA-N 0 0 180.678 3.998 10 0 AHAERN Fc1cc(F)cc(C2CCCC2)c1 ZINC000075840538 169082018 /nfs/dbraw/zinc/08/20/18/169082018.db2.gz VWPXCMQQVWTHQO-UHFFFAOYSA-N 0 0 182.213 3.622 10 0 AHAERN Fc1ccc(C2CCCC2)cc1F ZINC000075840540 572902653 /nfs/dbraw/zinc/90/26/53/572902653.db2.gz YMGSKJPZXHEHGY-UHFFFAOYSA-N 0 0 182.213 3.622 10 0 AHAERN c1cc2cc(C3CCCC3)ccc2[nH]1 ZINC000075840542 573705170 /nfs/dbraw/zinc/70/51/70/573705170.db2.gz AYASHUYWWCRYRM-UHFFFAOYSA-N 0 0 185.270 3.826 10 0 AHAERN COc1ccc(C)cc1C1CCCC1 ZINC000075840554 572904044 /nfs/dbraw/zinc/90/40/44/572904044.db2.gz FHMUJCQQZKPQMY-UHFFFAOYSA-N 0 0 190.286 3.661 10 0 AHAERN c1ccc2ncc(C3CCCC3)cc2c1 ZINC000075840571 572903969 /nfs/dbraw/zinc/90/39/69/572903969.db2.gz ZUGZMEFGTGSTBE-UHFFFAOYSA-N 0 0 197.281 3.892 10 0 AHAERN c1cnc2ccc(C3CCCC3)cc2c1 ZINC000075840573 572902459 /nfs/dbraw/zinc/90/24/59/572902459.db2.gz CBMXLAFWTURYFK-UHFFFAOYSA-N 0 0 197.281 3.892 10 0 AHAERN Cn1ccc2cc(C3CCCC3)ccc21 ZINC000075840579 572903995 /nfs/dbraw/zinc/90/39/95/572903995.db2.gz YTSLMIWVOOWARJ-UHFFFAOYSA-N 0 0 199.297 3.836 10 0 AHAERN CNc1ccc(C2CCCC2)cc1F ZINC000075841023 572901885 /nfs/dbraw/zinc/90/18/85/572901885.db2.gz BRTZGNSZJBTTEZ-UHFFFAOYSA-N 0 0 193.265 3.525 10 0 AHAERN Cc1cc(C)cc(C2CCCC2)c1 ZINC000075841048 573705695 /nfs/dbraw/zinc/70/56/95/573705695.db2.gz MGKASUOTDCEFKG-UHFFFAOYSA-N 0 0 174.287 3.961 10 0 AHAERN Cc1ccc(C)c(C2CCCC2)c1 ZINC000075841049 573706091 /nfs/dbraw/zinc/70/60/91/573706091.db2.gz YSVADLJGCIUWQF-UHFFFAOYSA-N 0 0 174.287 3.961 10 0 AHAERN Cc1ccc(C2CCCC2)c(C)c1 ZINC000075841051 573703357 /nfs/dbraw/zinc/70/33/57/573703357.db2.gz GEZWMMJVKOMULT-UHFFFAOYSA-N 0 0 174.287 3.961 10 0 AHAERN CCc1ccccc1C1CCCC1 ZINC000075841058 573704995 /nfs/dbraw/zinc/70/49/95/573704995.db2.gz YLEUOKZKYHZFEX-UHFFFAOYSA-N 0 0 174.287 3.907 10 0 AHAERN CCc1ccc(C2CCCC2)cc1 ZINC000075841060 572902342 /nfs/dbraw/zinc/90/23/42/572902342.db2.gz ZSJLJGPZBXGGAA-UHFFFAOYSA-N 0 0 174.287 3.907 10 0 AHAERN Cc1cccc(C2CCCC2)c1C ZINC000075841061 168863860 /nfs/dbraw/zinc/86/38/60/168863860.db2.gz IEVIAIZPRSUHKK-UHFFFAOYSA-N 0 0 174.287 3.961 10 0 AHAERN Fc1cccc(C2CCCCC2)c1 ZINC000075841142 169085945 /nfs/dbraw/zinc/08/59/45/169085945.db2.gz HKMLIHLPRGKCQZ-UHFFFAOYSA-N 0 0 178.250 3.873 10 0 AHAERN Oc1ccc(F)cc1C1CCCCC1 ZINC000075841154 171114984 /nfs/dbraw/zinc/11/49/84/171114984.db2.gz LNQUVVANFJYEJI-UHFFFAOYSA-N 0 0 194.249 3.579 10 0 AHAERN Oc1ccc(C2CCCCC2)c(F)c1 ZINC000075841156 171115201 /nfs/dbraw/zinc/11/52/01/171115201.db2.gz FXBSIKFTODXTSW-UHFFFAOYSA-N 0 0 194.249 3.579 10 0 AHAERN Cc1nc(C2CCCCC2)sc1C ZINC000075841311 343578124 /nfs/dbraw/zinc/57/81/24/343578124.db2.gz WMMLLNKHQOUBQW-UHFFFAOYSA-N 0 0 195.331 3.808 10 0 AHAERN CC(C)n1ccnc1C1CCCCC1 ZINC000075841398 572902365 /nfs/dbraw/zinc/90/23/65/572902365.db2.gz RCTLSDQVSQNTNL-UHFFFAOYSA-N 0 0 192.306 3.512 10 0 AHAERN CC(C)n1nccc1C1CCCCC1 ZINC000075841501 573702915 /nfs/dbraw/zinc/70/29/15/573702915.db2.gz OXJQQQKEYNTKSA-UHFFFAOYSA-N 0 0 192.306 3.512 10 0 AHAERN Oc1ccc(C2CCCCC2)cc1F ZINC000075841544 171115106 /nfs/dbraw/zinc/11/51/06/171115106.db2.gz NDWYDFGLZJEYHX-UHFFFAOYSA-N 0 0 194.249 3.579 10 0 AHAERN C[C@@H](c1ccccc1)c1cccc(O)c1 ZINC000075841717 572905836 /nfs/dbraw/zinc/90/58/36/572905836.db2.gz YIRXHCFQVQYKCZ-NSHDSACASA-N 0 0 198.265 3.544 10 0 AHAERN C[C@H](c1ccccc1)c1cccc(O)c1 ZINC000075841719 572906722 /nfs/dbraw/zinc/90/67/22/572906722.db2.gz YIRXHCFQVQYKCZ-LLVKDONJSA-N 0 0 198.265 3.544 10 0 AHAERN Cc1ccc([C@@H](C)c2ccccc2)nc1 ZINC000075842022 572904664 /nfs/dbraw/zinc/90/46/64/572904664.db2.gz BTKFZISLGOAFDG-LBPRGKRZSA-N 0 0 197.281 3.542 10 0 AHAERN Cc1ccc([C@H](C)c2ccccc2)nc1 ZINC000075842024 572906222 /nfs/dbraw/zinc/90/62/22/572906222.db2.gz BTKFZISLGOAFDG-GFCCVEGCSA-N 0 0 197.281 3.542 10 0 AHAERN Cc1ccc2c(F)cc(C)cc2c1 ZINC000076600345 572391442 /nfs/dbraw/zinc/39/14/42/572391442.db2.gz MHJYUUHIIHYDTE-UHFFFAOYSA-N 0 0 174.218 3.596 10 0 AHAERN CC(C)(C)C[C@@H]1CCCCCC1=O ZINC000076607374 572406546 /nfs/dbraw/zinc/40/65/46/572406546.db2.gz HXTVLOMXPXILTD-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)(C)C[C@H]1CCCCCC1=O ZINC000076607376 572406140 /nfs/dbraw/zinc/40/61/40/572406140.db2.gz HXTVLOMXPXILTD-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN c1c2c(oc1-c1ccccc1)CCCC2 ZINC000076637555 169474146 /nfs/dbraw/zinc/47/41/46/169474146.db2.gz ADAPEIYATTZSEK-UHFFFAOYSA-N 0 0 198.265 3.825 10 0 AHAERN CC(=O)c1cc(C(C)C)oc1C(C)C ZINC000077078470 572712507 /nfs/dbraw/zinc/71/25/07/572712507.db2.gz GITSJFOEFOTGKO-UHFFFAOYSA-N 0 0 194.274 3.729 10 0 AHAERN CC(C)c1cc(C=O)c(C(C)(C)C)o1 ZINC000077078482 537872134 /nfs/dbraw/zinc/87/21/34/537872134.db2.gz ICECXRYLNHOJIE-UHFFFAOYSA-N 0 0 194.274 3.513 10 0 AHAERN CCCc1oc(C(C)C)cc1C(C)=O ZINC000077080539 572713069 /nfs/dbraw/zinc/71/30/69/572713069.db2.gz AFKFZAHXESGBLR-UHFFFAOYSA-N 0 0 194.274 3.558 10 0 AHAERN CC(=O)c1cc(C)sc1C(C)(C)C ZINC000077093468 572735083 /nfs/dbraw/zinc/73/50/83/572735083.db2.gz XHUJZMNAXQQGKW-UHFFFAOYSA-N 0 0 196.315 3.557 10 0 AHAERN CCc1sc(C(C)C)cc1C(C)=O ZINC000077096141 572736050 /nfs/dbraw/zinc/73/60/50/572736050.db2.gz WBNWNVQEEQQRNC-UHFFFAOYSA-N 0 0 196.315 3.637 10 0 AHAERN CC(C)c1cc(C=O)c(C(C)C)s1 ZINC000077098078 573055106 /nfs/dbraw/zinc/05/51/06/573055106.db2.gz GJYLKNIQRXNLCG-UHFFFAOYSA-N 0 0 196.315 3.807 10 0 AHAERN Cc1cc2ccc(C(C)C)nc2cc1C ZINC000077255146 572842659 /nfs/dbraw/zinc/84/26/59/572842659.db2.gz STMSBUVVMKHDKW-UHFFFAOYSA-N 0 0 199.297 3.975 10 0 AHAERN Cc1cc(C)c2nc(C(C)C)ccc2c1 ZINC000077255150 572843671 /nfs/dbraw/zinc/84/36/71/572843671.db2.gz DSXJDLRYQRNLJM-UHFFFAOYSA-N 0 0 199.297 3.975 10 0 AHAERN Cc1cc(C)c2ccc(C(C)C)nc2c1 ZINC000077255151 572844256 /nfs/dbraw/zinc/84/42/56/572844256.db2.gz MJQLLZNBCSVOJV-UHFFFAOYSA-N 0 0 199.297 3.975 10 0 AHAERN Cc1ccc(C)c2nc(C(C)C)ccc12 ZINC000077255152 572842871 /nfs/dbraw/zinc/84/28/71/572842871.db2.gz YIMDEDKILRMTFV-UHFFFAOYSA-N 0 0 199.297 3.975 10 0 AHAERN Cc1cccc2ccc(C(C)C)nc12 ZINC000077255153 168880902 /nfs/dbraw/zinc/88/09/02/168880902.db2.gz TVGKDQDCZLPYAA-UHFFFAOYSA-N 0 0 185.270 3.667 10 0 AHAERN Cc1ccc2ccc(C(C)C)nc2c1C ZINC000077255154 572843667 /nfs/dbraw/zinc/84/36/67/572843667.db2.gz ROIAWWUWIOPDAD-UHFFFAOYSA-N 0 0 199.297 3.975 10 0 AHAERN CCc1ccc2nc(C(C)C)ccc2c1 ZINC000077255186 572842433 /nfs/dbraw/zinc/84/24/33/572842433.db2.gz LBYFFHKXKQQKNB-UHFFFAOYSA-N 0 0 199.297 3.921 10 0 AHAERN Cc1cc2nccc(C(C)C)c2cc1C ZINC000077255197 572844383 /nfs/dbraw/zinc/84/43/83/572844383.db2.gz JYITXPSVBDCSGX-UHFFFAOYSA-N 0 0 199.297 3.975 10 0 AHAERN Cc1cc(C)c2nccc(C(C)C)c2c1 ZINC000077255200 572844565 /nfs/dbraw/zinc/84/45/65/572844565.db2.gz RFPKITUKAUUNHX-UHFFFAOYSA-N 0 0 199.297 3.975 10 0 AHAERN Cc1cc(C)c2c(c1)nccc2C(C)C ZINC000077255202 572842971 /nfs/dbraw/zinc/84/29/71/572842971.db2.gz PUOCFQKBVZKAGE-UHFFFAOYSA-N 0 0 199.297 3.975 10 0 AHAERN Cc1ccc(C)c2c(C(C)C)ccnc12 ZINC000077255204 572843275 /nfs/dbraw/zinc/84/32/75/572843275.db2.gz XAAHOCOQMAXKFJ-UHFFFAOYSA-N 0 0 199.297 3.975 10 0 AHAERN Cc1ccc2c(C(C)C)ccnc2c1C ZINC000077255208 572842298 /nfs/dbraw/zinc/84/22/98/572842298.db2.gz HHTWHKTUMLQCMO-UHFFFAOYSA-N 0 0 199.297 3.975 10 0 AHAERN CCc1ccc2nccc(C(C)C)c2c1 ZINC000077255251 572842692 /nfs/dbraw/zinc/84/26/92/572842692.db2.gz DBZXCHKRLHYBAY-UHFFFAOYSA-N 0 0 199.297 3.921 10 0 AHAERN Clc1ccc2cc(Cl)cnc2c1 ZINC000077291436 169026248 /nfs/dbraw/zinc/02/62/48/169026248.db2.gz SLJNJMNYSNPHJE-UHFFFAOYSA-N 0 0 198.052 3.542 10 0 in-vitro AHAERN CCCCc1c(C)[nH]c2ccccc21 ZINC000077904251 171219733 /nfs/dbraw/zinc/21/97/33/171219733.db2.gz ZEGLHVKVGBJOME-UHFFFAOYSA-N 0 0 187.286 3.819 10 0 AHAERN Cc1cccc(Cl)c1C(C)C ZINC000077951766 573244652 /nfs/dbraw/zinc/24/46/52/573244652.db2.gz NXUJLUAVBVMDQP-UHFFFAOYSA-N 0 0 168.667 3.772 10 0 AHAERN CC[C@@H](C)c1c[nH]c2ccccc12 ZINC000077952693 571992838 /nfs/dbraw/zinc/99/28/38/571992838.db2.gz YRPBUSRPISWIQH-SECBINFHSA-N 0 0 173.259 3.681 10 0 AHAERN CC[C@H](C)c1c[nH]c2ccccc12 ZINC000077952694 167634102 /nfs/dbraw/zinc/63/41/02/167634102.db2.gz YRPBUSRPISWIQH-VIFPVBQESA-N 0 0 173.259 3.681 10 0 AHAERN CCC/C=C/[C@H]1CC=CCC1 ZINC000078100354 572055878 /nfs/dbraw/zinc/05/58/78/572055878.db2.gz OXHHQOAAOQNWAR-BWNDKRECSA-N 0 0 150.265 3.699 10 0 AHAERN C=Cc1ccc(C2=CCC2)cc1 ZINC000078129690 573356478 /nfs/dbraw/zinc/35/64/78/573356478.db2.gz VSGOIJJUZGYGTQ-UHFFFAOYSA-N 0 0 156.228 3.507 10 0 AHAERN Cl/C=C(\Cl)Cc1ccccc1 ZINC000078130991 573635683 /nfs/dbraw/zinc/63/56/83/573635683.db2.gz NWOGRZXVYPQWGS-CLFYSBASSA-N 0 0 187.069 3.548 10 0 AHAERN C/C=C\CC1CCCCC1 ZINC000078133232 343581806 /nfs/dbraw/zinc/58/18/06/343581806.db2.gz KWTVLXPDCHEVOR-IHWYPQMZSA-N 0 0 138.254 3.533 10 0 AHAERN CC(C)=CCC[C@@H](C)C/C=C\[C@H](C)O ZINC000078201071 573793661 /nfs/dbraw/zinc/79/36/61/573793661.db2.gz WCOHBQLHOLKCPM-KICFUWCWSA-N 0 0 196.334 3.696 10 0 AHAERN C/C=C\[C@H](C)CCCCC ZINC000078212028 573841724 /nfs/dbraw/zinc/84/17/24/573841724.db2.gz YWPFKZMYKGXMAP-NVDWLVSRSA-N 0 0 140.270 3.779 10 0 AHAERN C/C=C\[C@@H](C)CCCCC ZINC000078212030 573842389 /nfs/dbraw/zinc/84/23/89/573842389.db2.gz YWPFKZMYKGXMAP-DAGBOUIGSA-N 0 0 140.270 3.779 10 0 AHAERN CC(C)=CCC[C@@H](C)C/C=C\[C@@H](C)O ZINC000078214494 573841624 /nfs/dbraw/zinc/84/16/24/573841624.db2.gz WCOHBQLHOLKCPM-PIFJCSEESA-N 0 0 196.334 3.696 10 0 AHAERN CC[C@H](C)CCc1ccccc1 ZINC000078215316 343582355 /nfs/dbraw/zinc/58/23/55/343582355.db2.gz PVXCNEZDIJHZQB-NSHDSACASA-N 0 0 162.276 3.665 10 0 AHAERN CCCCCC1CC=CC1 ZINC000078373516 573449372 /nfs/dbraw/zinc/44/93/72/573449372.db2.gz KMHMCBKWMDKNPT-UHFFFAOYSA-N 0 0 138.254 3.533 10 0 AHAERN Cc1ccc(-c2ccc(O)cc2C)cc1 ZINC000078516516 571830339 /nfs/dbraw/zinc/83/03/39/571830339.db2.gz VMVPRJLGMLEHJI-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN CCCC[C@@H](C)[C@H](CO)CCCC ZINC000078563118 573686156 /nfs/dbraw/zinc/68/61/56/573686156.db2.gz ONZRWZQTIOPZHM-NEPJUHHUSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC[C@@H](CO)[C@@H](C)CCCC ZINC000078563120 573685532 /nfs/dbraw/zinc/68/55/32/573685532.db2.gz ONZRWZQTIOPZHM-RYUDHWBXSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC[C@@H](C)[C@@H](CO)CCCC ZINC000078563124 573684272 /nfs/dbraw/zinc/68/42/72/573684272.db2.gz ONZRWZQTIOPZHM-VXGBXAGGSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC[C@H](C)[C@@H](CO)CCCC ZINC000078563127 573683388 /nfs/dbraw/zinc/68/33/88/573683388.db2.gz ONZRWZQTIOPZHM-NWDGAFQWSA-N 0 0 186.339 3.611 10 0 AHAERN CCCCc1ccc(C(F)F)cc1 ZINC000078578339 573706992 /nfs/dbraw/zinc/70/69/92/573706992.db2.gz ONOJFNCEBYRVCY-UHFFFAOYSA-N 0 0 184.229 3.967 10 0 AHAERN Fc1cccc(F)c1-c1ccccc1 ZINC000078592622 343583733 /nfs/dbraw/zinc/58/37/33/343583733.db2.gz WTUKEAUROZESDP-UHFFFAOYSA-N 0 0 190.192 3.632 10 0 AHAERN C/C=C\[C@@H](C)CCC=C(C)C ZINC000078644494 343583891 /nfs/dbraw/zinc/58/38/91/343583891.db2.gz WCKCPEWXTJLTGV-JPVGGKMYSA-N 0 0 152.281 3.945 10 0 AHAERN C/C=C/[C@@H](C)CCC=C(C)C ZINC000078644499 343583969 /nfs/dbraw/zinc/58/39/69/343583969.db2.gz WCKCPEWXTJLTGV-OKPNEXGHSA-N 0 0 152.281 3.945 10 0 AHAERN C/C=C\[C@H](C)CCC=C(C)C ZINC000078644500 343583771 /nfs/dbraw/zinc/58/37/71/343583771.db2.gz WCKCPEWXTJLTGV-XOIDGJRKSA-N 0 0 152.281 3.945 10 0 AHAERN C/C=C/[C@H](C)CCC=C(C)C ZINC000078644502 343583813 /nfs/dbraw/zinc/58/38/13/343583813.db2.gz WCKCPEWXTJLTGV-ZRQQLDRUSA-N 0 0 152.281 3.945 10 0 AHAERN Cc1cccc2c3c([nH]c21)CCCCC3 ZINC000078675749 571834272 /nfs/dbraw/zinc/83/42/72/571834272.db2.gz GJBFXKQNKRSEJV-UHFFFAOYSA-N 0 0 199.297 3.745 10 0 AHAERN C/C=C\COc1ccccc1C(C)C ZINC000078833105 571850262 /nfs/dbraw/zinc/85/02/62/571850262.db2.gz JUXKGIPJLTZHJR-PLNGDYQASA-N 0 0 190.286 3.765 10 0 AHAERN C=COc1cc(C(C)C)ccc1C ZINC000078849561 573650141 /nfs/dbraw/zinc/65/01/41/573650141.db2.gz XRHNAJLISVJQQN-UHFFFAOYSA-N 0 0 176.259 3.641 10 0 AHAERN Cc1ccc(F)cc1C1CCCC1 ZINC000078925683 573679725 /nfs/dbraw/zinc/67/97/25/573679725.db2.gz SSQKETLZYOCMDA-UHFFFAOYSA-N 0 0 178.250 3.792 10 0 AHAERN CC(C)CCC1CCCC1 ZINC000078927554 573681677 /nfs/dbraw/zinc/68/16/77/573681677.db2.gz SAVJAOISDXUPNK-UHFFFAOYSA-N 0 0 140.270 3.613 10 0 AHAERN CCc1cc(Cl)cc(Cl)c1 ZINC000079021701 343586461 /nfs/dbraw/zinc/58/64/61/343586461.db2.gz DPCQFBWPRXQASW-UHFFFAOYSA-N 0 0 175.058 3.556 10 0 AHAERN CCCSc1ccc2[nH]ccc2c1 ZINC000079271830 573788483 /nfs/dbraw/zinc/78/84/83/573788483.db2.gz FQRXXJLXKDNNHN-UHFFFAOYSA-N 0 0 191.299 3.670 10 0 AHAERN CCCCCC1(CO)CCCCC1 ZINC000079331885 343587048 /nfs/dbraw/zinc/58/70/48/343587048.db2.gz ABCHJPQOHVSJSO-UHFFFAOYSA-N 0 0 184.323 3.510 10 0 AHAERN CCOc1ccc(C(C)C)cc1C ZINC000079424092 351629988 /nfs/dbraw/zinc/62/99/88/351629988.db2.gz JRLDRERIHMGQNM-UHFFFAOYSA-N 0 0 178.275 3.517 10 0 AHAERN CC[C@H](C)n1ccc2ccccc21 ZINC000079425312 343588741 /nfs/dbraw/zinc/58/87/41/343588741.db2.gz REFAGUAQASDZDK-JTQLQIEISA-N 0 0 173.259 3.612 10 0 AHAERN CC/C=C/CCc1ccccc1 ZINC000079572650 343589456 /nfs/dbraw/zinc/58/94/56/343589456.db2.gz RFIOGLFWZDVQPB-ONEGZZNKSA-N 0 0 160.260 3.585 10 0 AHAERN CC[C@@H](C)c1cccc(C)c1 ZINC000079572666 351629221 /nfs/dbraw/zinc/62/92/21/351629221.db2.gz RMNILBOMCXQZFC-SNVBAGLBSA-N 0 0 148.249 3.509 10 0 AHAERN CC[C@H](C)c1cccc(C)c1 ZINC000079572670 343589147 /nfs/dbraw/zinc/58/91/47/343589147.db2.gz RMNILBOMCXQZFC-JTQLQIEISA-N 0 0 148.249 3.509 10 0 AHAERN CC[C@@H](C)CC1CCCC1 ZINC000079598040 573855640 /nfs/dbraw/zinc/85/56/40/573855640.db2.gz UORQAXQHLSZGRH-SECBINFHSA-N 0 0 140.270 3.613 10 0 AHAERN CCCc1ccc(C(C)C)cc1 ZINC000079674272 167103123 /nfs/dbraw/zinc/10/31/23/167103123.db2.gz FRGDRCOOSXPXDK-UHFFFAOYSA-N 0 0 162.276 3.763 10 0 AHAERN CCCC[C@@H]1CC(=O)CCC1(C)C ZINC000079675516 673931248 /nfs/dbraw/zinc/93/12/48/673931248.db2.gz ZISRGRZORWWWAF-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC[C@H]1CC(=O)CCC1(C)C ZINC000079675518 631156104 /nfs/dbraw/zinc/15/61/04/631156104.db2.gz ZISRGRZORWWWAF-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN Cc1cc(C2CC2)ccc1Cl ZINC000079720027 537875347 /nfs/dbraw/zinc/87/53/47/537875347.db2.gz BZFDAICEJDSRGT-UHFFFAOYSA-N 0 0 166.651 3.526 10 0 AHAERN CC(C)C1=CC=C(C(C)C)C1 ZINC000079745456 573867863 /nfs/dbraw/zinc/86/78/63/573867863.db2.gz JZEQNYSVDNENPP-UHFFFAOYSA-N 0 0 150.265 3.555 10 0 AHAERN C(=C\c1ccccc1)\Cc1ccccc1 ZINC000079873436 343590037 /nfs/dbraw/zinc/59/00/37/343590037.db2.gz AIMDYNJRXHEXEL-GHXNOFRVSA-N 0 0 194.277 3.943 10 0 AHAERN FC(F)(F)C1=Cc2ccccc2CC1 ZINC000080120002 343591228 /nfs/dbraw/zinc/59/12/28/343591228.db2.gz BVIALZCLPOUUHQ-UHFFFAOYSA-N 0 0 198.187 3.579 10 0 AHAERN CCCc1c(Cl)cccc1Cl ZINC000080179220 573885231 /nfs/dbraw/zinc/88/52/31/573885231.db2.gz FBVBZMVMEANWQE-UHFFFAOYSA-N 0 0 189.085 3.946 10 0 AHAERN CCCc1ccccc1C(C)C ZINC000080180103 167107513 /nfs/dbraw/zinc/10/75/13/167107513.db2.gz XNVONTNIANKYKT-UHFFFAOYSA-N 0 0 162.276 3.763 10 0 AHAERN CCCCCc1c[nH]c2ccccc12 ZINC000080352104 571961910 /nfs/dbraw/zinc/96/19/10/571961910.db2.gz AEBFIMYRMPFLOZ-UHFFFAOYSA-N 0 0 187.286 3.901 10 0 AHAERN CCCC(=O)CCCCC(C)C ZINC000080384116 166818771 /nfs/dbraw/zinc/81/87/71/166818771.db2.gz KYTOBAWRRBWGMZ-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN CC(C)C(=O)CCCC1CCCC1 ZINC000080384398 573892406 /nfs/dbraw/zinc/89/24/06/573892406.db2.gz WTLDRSMJKAPYJG-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN O=C1CCCC[C@@H](CC2CCCC2)C1 ZINC000080386023 573890591 /nfs/dbraw/zinc/89/05/91/573890591.db2.gz NSOZCXSGBFCEAO-LBPRGKRZSA-N 0 0 194.318 3.716 10 0 AHAERN O=C1CCCC[C@H](CC2CCCC2)C1 ZINC000080386027 573893456 /nfs/dbraw/zinc/89/34/56/573893456.db2.gz NSOZCXSGBFCEAO-GFCCVEGCSA-N 0 0 194.318 3.716 10 0 AHAERN CCCCC[C@@H]1CCCCC(=O)C1 ZINC000080386309 571961217 /nfs/dbraw/zinc/96/12/17/571961217.db2.gz WOYOHLBURKDKJU-LLVKDONJSA-N 0 0 182.307 3.716 10 0 AHAERN CCCCC[C@H]1CCCCC(=O)C1 ZINC000080386316 571962668 /nfs/dbraw/zinc/96/26/68/571962668.db2.gz WOYOHLBURKDKJU-NSHDSACASA-N 0 0 182.307 3.716 10 0 AHAERN CC(C)CCCC1CCC1 ZINC000080449406 573899784 /nfs/dbraw/zinc/89/97/84/573899784.db2.gz PRRVQSZPCCNDDD-UHFFFAOYSA-N 0 0 140.270 3.613 10 0 AHAERN C=Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000080450950 571964811 /nfs/dbraw/zinc/96/48/11/571964811.db2.gz QESYYRDPBSQZHZ-UHFFFAOYSA-N 0 0 192.261 3.901 10 0 AHAERN O[C@H]1CCCC[C@@H](C2CCCCC2)C1 ZINC000080477147 573895983 /nfs/dbraw/zinc/89/59/83/573895983.db2.gz JCCLECGQOKWIOR-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@H]1CCCC[C@H](C2CCCCC2)C1 ZINC000080477152 573897550 /nfs/dbraw/zinc/89/75/50/573897550.db2.gz JCCLECGQOKWIOR-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H]1CCCC[C@@H](C2CCCCC2)C1 ZINC000080477155 573897605 /nfs/dbraw/zinc/89/76/05/573897605.db2.gz JCCLECGQOKWIOR-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H]1CCCC[C@H](C2CCCCC2)C1 ZINC000080477160 573896414 /nfs/dbraw/zinc/89/64/14/573896414.db2.gz JCCLECGQOKWIOR-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN CCCCC[C@@H]1CCCC[C@H](O)C1 ZINC000080477214 571963670 /nfs/dbraw/zinc/96/36/70/571963670.db2.gz VLQQMDBIPMYDQP-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@H]1CCCC[C@H](O)C1 ZINC000080477219 571963217 /nfs/dbraw/zinc/96/32/17/571963217.db2.gz VLQQMDBIPMYDQP-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@@H]1CCCC[C@@H](O)C1 ZINC000080477220 571963058 /nfs/dbraw/zinc/96/30/58/571963058.db2.gz VLQQMDBIPMYDQP-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@H]1CCCC[C@@H](O)C1 ZINC000080477224 571963187 /nfs/dbraw/zinc/96/31/87/571963187.db2.gz VLQQMDBIPMYDQP-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CC(C)CCCC[C@H](O)C(C)(C)C ZINC000080478690 571963737 /nfs/dbraw/zinc/96/37/37/571963737.db2.gz CMEUBWQYNUKXQJ-NSHDSACASA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)CCCC[C@@H](O)C(C)(C)C ZINC000080478694 571964857 /nfs/dbraw/zinc/96/48/57/571964857.db2.gz CMEUBWQYNUKXQJ-LLVKDONJSA-N 0 0 186.339 3.610 10 0 AHAERN Cc1c(C)c(Cl)ccc1Cl ZINC000080483518 573899887 /nfs/dbraw/zinc/89/98/87/573899887.db2.gz ZTGQBARLNHQDKA-UHFFFAOYSA-N 0 0 175.058 3.610 10 0 AHAERN CCCCc1ccccc1Cl ZINC000080490833 573896405 /nfs/dbraw/zinc/89/64/05/573896405.db2.gz HKFLWLGSDNGYNN-UHFFFAOYSA-N 0 0 168.667 3.683 10 0 AHAERN CCC/C=C/C1CCCCC1 ZINC000080497565 375351177 /nfs/dbraw/zinc/35/11/77/375351177.db2.gz RQPUZGKLFDPSJD-VMPITWQZSA-N 0 0 152.281 3.923 10 0 AHAERN c1csc(C2CCCCCCC2)n1 ZINC000080520199 573897255 /nfs/dbraw/zinc/89/72/55/573897255.db2.gz KYYPOWPEDQNOAI-UHFFFAOYSA-N 0 0 195.331 3.971 10 0 AHAERN CCCCCCc1cccc(C=O)c1 ZINC000080684640 343591918 /nfs/dbraw/zinc/59/19/18/343591918.db2.gz BHNNSHADQMDKRC-UHFFFAOYSA-N 0 0 190.286 3.622 10 0 AHAERN CCc1ccc(C(C)C)cc1C ZINC000080685723 573907282 /nfs/dbraw/zinc/90/72/82/573907282.db2.gz NRTHCBJHTZAIOJ-UHFFFAOYSA-N 0 0 162.276 3.681 10 0 AHAERN Cc1ccccc1OCCCC(C)C ZINC000080688145 571968830 /nfs/dbraw/zinc/96/88/30/571968830.db2.gz NUROBRLFNRCSCN-UHFFFAOYSA-N 0 0 192.302 3.810 10 0 AHAERN CC1(C)C=Cc2cccc(Cl)c2N1 ZINC000080772043 573908874 /nfs/dbraw/zinc/90/88/74/573908874.db2.gz IDLIPYWRYIUMRG-UHFFFAOYSA-N 0 0 193.677 3.557 10 0 AHAERN CCCCc1cc(C)ccc1C ZINC000080874980 573916360 /nfs/dbraw/zinc/91/63/60/573916360.db2.gz ZRJNQRHSLVSHNI-UHFFFAOYSA-N 0 0 162.276 3.646 10 0 AHAERN CC(C)Oc1ccccc1C(C)(C)C ZINC000080881554 573919396 /nfs/dbraw/zinc/91/93/96/573919396.db2.gz XJQRPRQYNLEXJN-UHFFFAOYSA-N 0 0 192.302 3.771 10 0 AHAERN c1cn(CC2CCCC2)c2ccccc12 ZINC000080929046 571971034 /nfs/dbraw/zinc/97/10/34/571971034.db2.gz OMJJTDWWCHVTHF-UHFFFAOYSA-N 0 0 199.297 3.832 10 0 AHAERN C=Cc1ccc(CC(C)(C)C)cc1 ZINC000081127773 343593186 /nfs/dbraw/zinc/59/31/86/343593186.db2.gz HDKGBYWBVZDOIW-UHFFFAOYSA-N 0 0 174.287 3.918 10 0 AHAERN CCCCCc1ccc(N)c(Cl)c1 ZINC000081131543 343592928 /nfs/dbraw/zinc/59/29/28/343592928.db2.gz AMXVETIYWPVFQI-UHFFFAOYSA-N 0 0 197.709 3.655 10 0 AHAERN c1ccc2c(c1)ccc1c2C=CCC1 ZINC000081145138 573934540 /nfs/dbraw/zinc/93/45/40/573934540.db2.gz DYHJTAONEPZTCO-UHFFFAOYSA-N 0 0 180.250 3.799 10 0 AHAERN Cl/C=C(/Cl)C1CCCCC1 ZINC000081150196 573931567 /nfs/dbraw/zinc/93/15/67/573931567.db2.gz YNDIJTICRIYBHI-SOFGYWHQSA-N 0 0 179.090 3.886 10 0 AHAERN Cl/C=C(\Cl)C1CCCCC1 ZINC000081150197 572130608 /nfs/dbraw/zinc/13/06/08/572130608.db2.gz YNDIJTICRIYBHI-VURMDHGXSA-N 0 0 179.090 3.886 10 0 AHAERN CCCCC(=O)CC1CCCCC1 ZINC000081223217 571981705 /nfs/dbraw/zinc/98/17/05/571981705.db2.gz VDBONIVXHQMKAE-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN CC1(C)CCCc2c3ccccc3[nH]c21 ZINC000082009813 572015339 /nfs/dbraw/zinc/01/53/39/572015339.db2.gz PNNPOHPZNVPWHY-UHFFFAOYSA-N 0 0 199.297 3.782 10 0 AHAERN CC[C@@H](C)CCCC(C)(C)OC ZINC000082034359 572165854 /nfs/dbraw/zinc/16/58/54/572165854.db2.gz YQWIGVZLRVBLJM-SNVBAGLBSA-N 0 0 172.312 3.628 10 0 AHAERN CC1CCC(c2ccc(N)cc2)CC1 ZINC000082034393 351634362 /nfs/dbraw/zinc/63/43/62/351634362.db2.gz ACRINFORRKOCHJ-UHFFFAOYSA-N 0 0 189.302 3.563 10 0 AHAERN Cc1cc(Cl)c2ccccc2c1 ZINC000082038429 343595032 /nfs/dbraw/zinc/59/50/32/343595032.db2.gz FVWGPYXKBKTNEC-UHFFFAOYSA-N 0 0 176.646 3.802 10 0 AHAERN c1cc2cccc(-c3ccsc3)c2[nH]1 ZINC000082040546 573982952 /nfs/dbraw/zinc/98/29/52/573982952.db2.gz YZRDCICETZKUKJ-UHFFFAOYSA-N 0 0 199.278 3.896 10 0 AHAERN Clc1ccccc1C1=CCCC1 ZINC000082048316 573986062 /nfs/dbraw/zinc/98/60/62/573986062.db2.gz DZMBPURAZVPONF-UHFFFAOYSA-N 0 0 178.662 3.907 10 0 AHAERN CC(C)CCc1cccc(Cl)c1 ZINC000082059768 343595358 /nfs/dbraw/zinc/59/53/58/343595358.db2.gz JRIPTFISENCJRO-UHFFFAOYSA-N 0 0 182.694 3.929 10 0 AHAERN O[C@@H](CCC1CCCC1)C1CCCC1 ZINC000082061860 572015120 /nfs/dbraw/zinc/01/51/20/572015120.db2.gz ATNRBPIZJJCYRB-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@H](CCC1CCCC1)C1CCCC1 ZINC000082061861 572016579 /nfs/dbraw/zinc/01/65/79/572016579.db2.gz ATNRBPIZJJCYRB-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)(C)COc1ccc(Cl)cc1 ZINC000082074441 573982844 /nfs/dbraw/zinc/98/28/44/573982844.db2.gz AHWFSQRFJJHPJP-UHFFFAOYSA-N 0 0 198.693 3.765 10 0 AHAERN c1cc2c(cccc2-c2ccsc2)[nH]1 ZINC000082095819 573985859 /nfs/dbraw/zinc/98/58/59/573985859.db2.gz SVVMTKQSWJDTFQ-UHFFFAOYSA-N 0 0 199.278 3.896 10 0 AHAERN CCc1c(Cl)cccc1Cl ZINC000082105553 351634092 /nfs/dbraw/zinc/63/40/92/351634092.db2.gz NUDVJQOVBFONPG-UHFFFAOYSA-N 0 0 175.058 3.556 10 0 AHAERN CCCCCc1ccccc1C ZINC000082185258 343596052 /nfs/dbraw/zinc/59/60/52/343596052.db2.gz NQVHSBDSEAYZOO-UHFFFAOYSA-N 0 0 162.276 3.728 10 0 AHAERN CCCCC(CC)(CO)CCCC ZINC000082199661 573988712 /nfs/dbraw/zinc/98/87/12/573988712.db2.gz NSWQLQLMPMWVRJ-UHFFFAOYSA-N 0 0 186.339 3.756 10 0 AHAERN CCC[C@@H](C)C(=O)c1ccccc1C ZINC000082203348 572003027 /nfs/dbraw/zinc/00/30/27/572003027.db2.gz KDMVIRMWDMQGDT-LLVKDONJSA-N 0 0 190.286 3.614 10 0 AHAERN Cc1coc2ccc3ccccc3c12 ZINC000082217891 343596102 /nfs/dbraw/zinc/59/61/02/343596102.db2.gz WCXIYSNGVSMUKA-UHFFFAOYSA-N 0 0 182.222 3.894 10 0 AHAERN CCc1sc(C=O)cc1[C@H](C)CC ZINC000082385610 573557546 /nfs/dbraw/zinc/55/75/46/573557546.db2.gz NNUSGYDJQSUQGF-MRVPVSSYSA-N 0 0 196.315 3.637 10 0 AHAERN CC(C)(C)[C@@H]1CCNc2ccccc21 ZINC000082390738 166377347 /nfs/dbraw/zinc/37/73/47/166377347.db2.gz VZIYLFZRSTVWAJ-LLVKDONJSA-N 0 0 189.302 3.632 10 0 AHAERN CC(C)(C)[C@H]1CCNc2ccccc21 ZINC000082390739 166381993 /nfs/dbraw/zinc/38/19/93/166381993.db2.gz VZIYLFZRSTVWAJ-NSHDSACASA-N 0 0 189.302 3.632 10 0 AHAERN c1cc(NC2CCCCCC2)cs1 ZINC000082409688 573031497 /nfs/dbraw/zinc/03/14/97/573031497.db2.gz ZJTRLIGIKUJORZ-UHFFFAOYSA-N 0 0 195.331 3.883 10 0 AHAERN CCCCCC[C@@H](C)C(=O)CC ZINC000082442750 572027522 /nfs/dbraw/zinc/02/75/22/572027522.db2.gz CCUMCOTXVKVBPC-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN CCCCCC[C@H](C)C(=O)CC ZINC000082442751 572028163 /nfs/dbraw/zinc/02/81/63/572028163.db2.gz CCUMCOTXVKVBPC-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN Cc1cc(C)cc(OCCC(C)C)c1 ZINC000082551824 572048464 /nfs/dbraw/zinc/04/84/64/572048464.db2.gz WXOICGRXDUHCNY-UHFFFAOYSA-N 0 0 192.302 3.728 10 0 AHAERN Cc1ccc(C)c(OCCC(C)C)c1 ZINC000082551826 572047946 /nfs/dbraw/zinc/04/79/46/572047946.db2.gz SJOBEODUNNMJAL-UHFFFAOYSA-N 0 0 192.302 3.728 10 0 AHAERN CCCCCCC(=O)[C@@H](C)CC ZINC000082561266 572049773 /nfs/dbraw/zinc/04/97/73/572049773.db2.gz KCJSBDPYNNYQNG-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CCCCCCC(=O)[C@H](C)CC ZINC000082561267 572050670 /nfs/dbraw/zinc/05/06/70/572050670.db2.gz KCJSBDPYNNYQNG-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN CC[C@@H](C)C(=O)c1cc(C)cc(C)c1 ZINC000082561288 573101350 /nfs/dbraw/zinc/10/13/50/573101350.db2.gz SMDNHIHYZOEKTH-LLVKDONJSA-N 0 0 190.286 3.532 10 0 AHAERN CC[C@H](C)C(=O)c1cc(C)cc(C)c1 ZINC000082561289 573100555 /nfs/dbraw/zinc/10/05/55/573100555.db2.gz SMDNHIHYZOEKTH-NSHDSACASA-N 0 0 190.286 3.532 10 0 AHAERN CC[C@@H](C)C(=O)c1cccc(C)c1C ZINC000082561330 573099162 /nfs/dbraw/zinc/09/91/62/573099162.db2.gz NHLDVSGEIGIWBP-SECBINFHSA-N 0 0 190.286 3.532 10 0 AHAERN CC[C@H](C)C(=O)c1cccc(C)c1C ZINC000082561331 573101683 /nfs/dbraw/zinc/10/16/83/573101683.db2.gz NHLDVSGEIGIWBP-VIFPVBQESA-N 0 0 190.286 3.532 10 0 AHAERN CC[C@@H](C)C(=O)c1ccccc1Cl ZINC000082561336 573099386 /nfs/dbraw/zinc/09/93/86/573099386.db2.gz KFXDPHAJMLGVHT-MRVPVSSYSA-N 0 0 196.677 3.569 10 0 AHAERN CC[C@H](C)C(=O)c1ccccc1Cl ZINC000082561337 573100334 /nfs/dbraw/zinc/10/03/34/573100334.db2.gz KFXDPHAJMLGVHT-QMMMGPOBSA-N 0 0 196.677 3.569 10 0 AHAERN CCNc1cc(C(C)C)ccc1C ZINC000082587867 167307357 /nfs/dbraw/zinc/30/73/57/167307357.db2.gz MXUCDCJHGUFHFD-UHFFFAOYSA-N 0 0 177.291 3.550 10 0 AHAERN CC(C)Cc1ccc(NC(C)C)cc1 ZINC000082588528 537885352 /nfs/dbraw/zinc/88/53/52/537885352.db2.gz PDKWTGFTERKTTB-UHFFFAOYSA-N 0 0 191.318 3.705 10 0 AHAERN Cc1[nH]c2c(ccc(Cl)c2C)c1C ZINC000082588789 168698572 /nfs/dbraw/zinc/69/85/72/168698572.db2.gz CSPLKFXDHPHYRK-UHFFFAOYSA-N 0 0 193.677 3.747 10 0 AHAERN CC[C@@H](C)Cn1ccc2ccccc21 ZINC000082615124 573130053 /nfs/dbraw/zinc/13/00/53/573130053.db2.gz GPAWKUXYCSALHT-LLVKDONJSA-N 0 0 187.286 3.687 10 0 AHAERN CC[C@H](C)Cn1ccc2ccccc21 ZINC000082615125 573124733 /nfs/dbraw/zinc/12/47/33/573124733.db2.gz GPAWKUXYCSALHT-NSHDSACASA-N 0 0 187.286 3.687 10 0 AHAERN Cc1cc2ccccc2n1CC(C)C ZINC000082615135 573130079 /nfs/dbraw/zinc/13/00/79/573130079.db2.gz VGXYOARHYAJJDT-UHFFFAOYSA-N 0 0 187.286 3.606 10 0 AHAERN C/C=C/Cn1c(C)cc2ccccc21 ZINC000082615140 573128574 /nfs/dbraw/zinc/12/85/74/573128574.db2.gz BJXFVYNJTWRIHF-ONEGZZNKSA-N 0 0 185.270 3.526 10 0 AHAERN C[C@@H]1CC(=O)c2ccc3ccccc3c21 ZINC000082617856 573133344 /nfs/dbraw/zinc/13/33/44/573133344.db2.gz DDSHFIPMNGTJHZ-SECBINFHSA-N 0 0 196.249 3.530 10 0 AHAERN C[C@H]1CC(=O)c2ccc3ccccc3c21 ZINC000082617857 573133937 /nfs/dbraw/zinc/13/39/37/573133937.db2.gz DDSHFIPMNGTJHZ-VIFPVBQESA-N 0 0 196.249 3.530 10 0 AHAERN Cc1ccc(C)n1CC1(C)CCCC1 ZINC000082625735 573131444 /nfs/dbraw/zinc/13/14/44/573131444.db2.gz PSQOLVSGEXCKSW-UHFFFAOYSA-N 0 0 191.318 3.685 10 0 AHAERN C[C@@H](CC(=O)c1ccco1)C(C)(C)C ZINC000082628103 572077463 /nfs/dbraw/zinc/07/74/63/572077463.db2.gz SSTUPWDHEBSKDE-VIFPVBQESA-N 0 0 194.274 3.535 10 0 AHAERN C[C@H](CC(=O)c1ccco1)C(C)(C)C ZINC000082628104 572076069 /nfs/dbraw/zinc/07/60/69/572076069.db2.gz SSTUPWDHEBSKDE-SECBINFHSA-N 0 0 194.274 3.535 10 0 AHAERN C[C@@H](C[C@H](O)C1=CCCC1)C(C)(C)C ZINC000082628644 572077087 /nfs/dbraw/zinc/07/70/87/572077087.db2.gz SKGVVGCQUQWHGG-JQWIXIFHSA-N 0 0 196.334 3.530 10 0 AHAERN C[C@H](C[C@H](O)C1=CCCC1)C(C)(C)C ZINC000082628645 572077745 /nfs/dbraw/zinc/07/77/45/572077745.db2.gz SKGVVGCQUQWHGG-PWSUYJOCSA-N 0 0 196.334 3.530 10 0 AHAERN C[C@@H](C[C@@H](O)C1=CCCC1)C(C)(C)C ZINC000082628646 572076547 /nfs/dbraw/zinc/07/65/47/572076547.db2.gz SKGVVGCQUQWHGG-CMPLNLGQSA-N 0 0 196.334 3.530 10 0 AHAERN C[C@H](C[C@@H](O)C1=CCCC1)C(C)(C)C ZINC000082628647 572077381 /nfs/dbraw/zinc/07/73/81/572077381.db2.gz SKGVVGCQUQWHGG-ZYHUDNBSSA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1C1(O)CCCC1 ZINC000082658026 573145285 /nfs/dbraw/zinc/14/52/85/573145285.db2.gz UVQMKJGHTADJRB-NEPJUHHUSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1CCCC[C@@H]1C1(O)CCCC1 ZINC000082658027 573148692 /nfs/dbraw/zinc/14/86/92/573148692.db2.gz UVQMKJGHTADJRB-RYUDHWBXSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@@H]1CCCC[C@H]1C1(O)CCCC1 ZINC000082658028 573143838 /nfs/dbraw/zinc/14/38/38/573143838.db2.gz UVQMKJGHTADJRB-VXGBXAGGSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1CCCC[C@H]1C1(O)CCCC1 ZINC000082658029 573145036 /nfs/dbraw/zinc/14/50/36/573145036.db2.gz UVQMKJGHTADJRB-NWDGAFQWSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1C(O)(CC)CC ZINC000082658042 572070350 /nfs/dbraw/zinc/07/03/50/572070350.db2.gz NMACCPWCRSIKEI-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CCCC[C@@H]1C(O)(CC)CC ZINC000082658043 572070057 /nfs/dbraw/zinc/07/00/57/572070057.db2.gz NMACCPWCRSIKEI-RYUDHWBXSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H]1CCCC[C@H]1C(O)(CC)CC ZINC000082658044 572071474 /nfs/dbraw/zinc/07/14/74/572071474.db2.gz NMACCPWCRSIKEI-VXGBXAGGSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CCCC[C@H]1C(O)(CC)CC ZINC000082658045 572071554 /nfs/dbraw/zinc/07/15/54/572071554.db2.gz NMACCPWCRSIKEI-NWDGAFQWSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1[C@](C)(O)C(C)C ZINC000082658046 573146124 /nfs/dbraw/zinc/14/61/24/573146124.db2.gz NNIFLKWFJZOKIS-FRRDWIJNSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCCC[C@H]1[C@](C)(O)C(C)C ZINC000082658048 573147048 /nfs/dbraw/zinc/14/70/48/573147048.db2.gz NNIFLKWFJZOKIS-JHJVBQTASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1C(=O)CC(C)C ZINC000082658190 572073329 /nfs/dbraw/zinc/07/33/29/572073329.db2.gz CUFMZGVXBIZFIN-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCCC[C@@H]1C(=O)CC(C)C ZINC000082658191 572074103 /nfs/dbraw/zinc/07/41/03/572074103.db2.gz CUFMZGVXBIZFIN-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCCC[C@H]1C(=O)CC(C)C ZINC000082658192 572074378 /nfs/dbraw/zinc/07/43/78/572074378.db2.gz CUFMZGVXBIZFIN-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCCC[C@H]1C(=O)CC(C)C ZINC000082658193 572073432 /nfs/dbraw/zinc/07/34/32/572073432.db2.gz CUFMZGVXBIZFIN-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(=O)[C@@H]1CCCC[C@@H]1CC ZINC000082658213 572075201 /nfs/dbraw/zinc/07/52/01/572075201.db2.gz GCQZOYJLROXECS-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)[C@H]1CCCC[C@@H]1CC ZINC000082658214 572075361 /nfs/dbraw/zinc/07/53/61/572075361.db2.gz GCQZOYJLROXECS-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)[C@@H]1CCCC[C@H]1CC ZINC000082658215 572075041 /nfs/dbraw/zinc/07/50/41/572075041.db2.gz GCQZOYJLROXECS-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)[C@H]1CCCC[C@H]1CC ZINC000082658216 572074887 /nfs/dbraw/zinc/07/48/87/572074887.db2.gz GCQZOYJLROXECS-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C ZINC000082658221 573148900 /nfs/dbraw/zinc/14/89/00/573148900.db2.gz XDMRVKCUIZBJRT-MNOVXSKESA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCCC[C@@H]1C(=O)C(C)(C)C ZINC000082658222 573143367 /nfs/dbraw/zinc/14/33/67/573143367.db2.gz XDMRVKCUIZBJRT-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCCC[C@H]1C(=O)C(C)(C)C ZINC000082658223 573144839 /nfs/dbraw/zinc/14/48/39/573144839.db2.gz XDMRVKCUIZBJRT-GHMZBOCLSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCCC[C@H]1C(=O)C(C)(C)C ZINC000082658224 573148768 /nfs/dbraw/zinc/14/87/68/573148768.db2.gz XDMRVKCUIZBJRT-WDEREUQCSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)C(=O)[C@H]1CCCC[C@H]1CC ZINC000082658273 351640321 /nfs/dbraw/zinc/64/03/21/351640321.db2.gz DRWWUHWFNXBORJ-TUAOUCFPSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)C(=O)[C@H]1CCCC[C@@H]1CC ZINC000082658274 351640526 /nfs/dbraw/zinc/64/05/26/351640526.db2.gz DRWWUHWFNXBORJ-SRVKXCTJSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)C(=O)[C@@H]1CCCC[C@H]1CC ZINC000082658275 351640398 /nfs/dbraw/zinc/64/03/98/351640398.db2.gz DRWWUHWFNXBORJ-QJPTWQEYSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC000082658276 325607903 /nfs/dbraw/zinc/60/79/03/325607903.db2.gz DRWWUHWFNXBORJ-SDDRHHMPSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1[C@H](O)CC(C)C ZINC000082658301 572074075 /nfs/dbraw/zinc/07/40/75/572074075.db2.gz PPPFHWJREKGVLS-FRRDWIJNSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCCC[C@H]1[C@H](O)CC(C)C ZINC000082658303 572075476 /nfs/dbraw/zinc/07/54/76/572075476.db2.gz PPPFHWJREKGVLS-JHJVBQTASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1[C@H](O)C(C)(C)C ZINC000082658332 573148510 /nfs/dbraw/zinc/14/85/10/573148510.db2.gz GJKPFFQJJIFRBE-WOPDTQHZSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCCC[C@H]1[C@H](O)C(C)(C)C ZINC000082658334 573144897 /nfs/dbraw/zinc/14/48/97/573144897.db2.gz GJKPFFQJJIFRBE-UTUOFQBUSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@@H](O)[C@@H]1CCCC[C@@H]1CC ZINC000082658383 572074329 /nfs/dbraw/zinc/07/43/29/572074329.db2.gz CIYAKBIWCXLMRS-WUHRBBMRSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1[C@@H]1CCCC1=O ZINC000082658828 573145432 /nfs/dbraw/zinc/14/54/32/573145432.db2.gz OKFICABMFZLJAV-WOPDTQHZSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCCC[C@@H]1[C@@H]1CCCC1=O ZINC000082658829 572080121 /nfs/dbraw/zinc/08/01/21/572080121.db2.gz OKFICABMFZLJAV-SRVKXCTJSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCCC[C@H]1[C@@H]1CCCC1=O ZINC000082658830 573146687 /nfs/dbraw/zinc/14/66/87/573146687.db2.gz OKFICABMFZLJAV-UTUOFQBUSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCCC[C@H]1[C@@H]1CCCC1=O ZINC000082658831 572078170 /nfs/dbraw/zinc/07/81/70/572078170.db2.gz OKFICABMFZLJAV-TUAOUCFPSA-N 0 0 194.318 3.572 10 0 AHAERN CC(C)C[C@@H]1CCNc2ccccc21 ZINC000082665251 573152367 /nfs/dbraw/zinc/15/23/67/573152367.db2.gz CXEATXOXOMRICF-NSHDSACASA-N 0 0 189.302 3.632 10 0 AHAERN CC(C)C[C@H]1CCNc2ccccc21 ZINC000082665255 573155404 /nfs/dbraw/zinc/15/54/04/573155404.db2.gz CXEATXOXOMRICF-LLVKDONJSA-N 0 0 189.302 3.632 10 0 AHAERN CCCC[C@@H]1CCNc2ccccc21 ZINC000082665269 573152459 /nfs/dbraw/zinc/15/24/59/573152459.db2.gz NRFHDJJNTPJVIR-LLVKDONJSA-N 0 0 189.302 3.776 10 0 AHAERN CCCC[C@H]1CCNc2ccccc21 ZINC000082665273 573152159 /nfs/dbraw/zinc/15/21/59/573152159.db2.gz NRFHDJJNTPJVIR-NSHDSACASA-N 0 0 189.302 3.776 10 0 AHAERN CCC[C@@H](C)CC(=O)CC(C)(C)C ZINC000082673520 572083862 /nfs/dbraw/zinc/08/38/62/572083862.db2.gz UPFVVXNIVQCTOH-SNVBAGLBSA-N 0 0 184.323 3.818 10 0 AHAERN CCC[C@H](C)CC(=O)CC(C)(C)C ZINC000082673522 572083505 /nfs/dbraw/zinc/08/35/05/572083505.db2.gz UPFVVXNIVQCTOH-JTQLQIEISA-N 0 0 184.323 3.818 10 0 AHAERN CC(C)(C)CC(=O)CC1CCCC1 ZINC000082673559 572083691 /nfs/dbraw/zinc/08/36/91/572083691.db2.gz DADSXMWDGHXLRU-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)(C)CCC(=O)CC(C)(C)C ZINC000082673624 572083827 /nfs/dbraw/zinc/08/38/27/572083827.db2.gz GVELOCUNGAZLPU-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN CCC[C@@H](C)C[C@H](O)CC(C)(C)C ZINC000082673827 572082570 /nfs/dbraw/zinc/08/25/70/572082570.db2.gz BIZITNNTNKJGAT-MNOVXSKESA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)C[C@H](O)CC(C)(C)C ZINC000082673829 572082739 /nfs/dbraw/zinc/08/27/39/572082739.db2.gz BIZITNNTNKJGAT-QWRGUYRKSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](C)C[C@@H](O)CC(C)(C)C ZINC000082673830 572081477 /nfs/dbraw/zinc/08/14/77/572081477.db2.gz BIZITNNTNKJGAT-GHMZBOCLSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)C[C@@H](O)CC(C)(C)C ZINC000082673832 572082921 /nfs/dbraw/zinc/08/29/21/572082921.db2.gz BIZITNNTNKJGAT-WDEREUQCSA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)(C)CC[C@H](O)CC(C)(C)C ZINC000082673878 572081800 /nfs/dbraw/zinc/08/18/00/572081800.db2.gz QJMPXCKMGGQKBE-JTQLQIEISA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)(C)CC[C@@H](O)CC(C)(C)C ZINC000082673881 572082655 /nfs/dbraw/zinc/08/26/55/572082655.db2.gz QJMPXCKMGGQKBE-SNVBAGLBSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](O)c1cc(C)cc(C)c1 ZINC000082679128 572082846 /nfs/dbraw/zinc/08/28/46/572082846.db2.gz JSBSIIVVWOGBMQ-ZDUSSCGKSA-N 0 0 192.302 3.527 10 0 AHAERN CCCC[C@@H](O)c1cc(C)cc(C)c1 ZINC000082679130 572083616 /nfs/dbraw/zinc/08/36/16/572083616.db2.gz JSBSIIVVWOGBMQ-CYBMUJFWSA-N 0 0 192.302 3.527 10 0 AHAERN CCCC[C@H](O)[C@@H]1CCCC[C@@H]1CC ZINC000082679175 572083777 /nfs/dbraw/zinc/08/37/77/572083777.db2.gz JTXXIHKVTUULGX-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](O)[C@@H]1CCCC[C@@H]1CC ZINC000082679177 572081709 /nfs/dbraw/zinc/08/17/09/572081709.db2.gz JTXXIHKVTUULGX-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](O)[C@H]1CCCC[C@@H]1CC ZINC000082679180 572081630 /nfs/dbraw/zinc/08/16/30/572081630.db2.gz JTXXIHKVTUULGX-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](O)[C@H]1CCCC[C@@H]1CC ZINC000082679182 572082750 /nfs/dbraw/zinc/08/27/50/572082750.db2.gz JTXXIHKVTUULGX-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H]1CCC[C@H](n2cccc2)C1 ZINC000082713712 573166154 /nfs/dbraw/zinc/16/61/54/573166154.db2.gz SOOCIQHVJRZAEH-NEPJUHHUSA-N 0 0 177.291 3.629 10 0 AHAERN CC[C@H]1CCC[C@H](n2cccc2)C1 ZINC000082713713 573166145 /nfs/dbraw/zinc/16/61/45/573166145.db2.gz SOOCIQHVJRZAEH-RYUDHWBXSA-N 0 0 177.291 3.629 10 0 AHAERN CC[C@@H]1CCC[C@@H](n2cccc2)C1 ZINC000082713714 573168117 /nfs/dbraw/zinc/16/81/17/573168117.db2.gz SOOCIQHVJRZAEH-VXGBXAGGSA-N 0 0 177.291 3.629 10 0 AHAERN CC[C@H]1CCC[C@@H](n2cccc2)C1 ZINC000082713715 573166196 /nfs/dbraw/zinc/16/61/96/573166196.db2.gz SOOCIQHVJRZAEH-NWDGAFQWSA-N 0 0 177.291 3.629 10 0 AHAERN CCNc1c(C)cc(C)c(Cl)c1C ZINC000082725044 167303567 /nfs/dbraw/zinc/30/35/67/167303567.db2.gz GLCVKBZEHRHKFN-UHFFFAOYSA-N 0 0 197.709 3.697 10 0 AHAERN CC(C)(C)[C@H](O)CCCC1CCCC1 ZINC000082735642 572092189 /nfs/dbraw/zinc/09/21/89/572092189.db2.gz QBSFNJXYOAYKPX-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)[C@@H](O)CCCC1CCCC1 ZINC000082735643 572091404 /nfs/dbraw/zinc/09/14/04/572091404.db2.gz QBSFNJXYOAYKPX-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN C=Cc1ccc(-c2ccccc2F)o1 ZINC000082762020 573177596 /nfs/dbraw/zinc/17/75/96/573177596.db2.gz QLPXSMHQADZEOX-UHFFFAOYSA-N 0 0 188.201 3.729 10 0 AHAERN C=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000082762111 573175094 /nfs/dbraw/zinc/17/50/94/573175094.db2.gz YUPYWZIMJALZMV-UHFFFAOYSA-N 0 0 188.201 3.729 10 0 AHAERN CC(C)(C)c1ccc2ccncc2c1 ZINC000082767270 166385568 /nfs/dbraw/zinc/38/55/68/166385568.db2.gz FHWXEMXPKWXXDZ-UHFFFAOYSA-N 0 0 185.270 3.532 10 0 AHAERN Clc1cc(Cl)c2ccncc2c1 ZINC000082767272 169021973 /nfs/dbraw/zinc/02/19/73/169021973.db2.gz LRTAHCUSBZEOBO-UHFFFAOYSA-N 0 0 198.052 3.542 10 0 AHAERN Clc1cc(Cl)c2cnccc2c1 ZINC000082767274 169021769 /nfs/dbraw/zinc/02/17/69/169021769.db2.gz ZHYGMRPWVGMCJF-UHFFFAOYSA-N 0 0 198.052 3.542 10 0 AHAERN Cc1cc(C)c2cccc(C(C)C)c2n1 ZINC000082788303 572111547 /nfs/dbraw/zinc/11/15/47/572111547.db2.gz JBFKBWGOYKLRDJ-UHFFFAOYSA-N 0 0 199.297 3.975 10 0 AHAERN Cc1ccnc2c(C)cc(Cl)cc12 ZINC000082788393 343612564 /nfs/dbraw/zinc/61/25/64/343612564.db2.gz PAKFTHFHWQLTOI-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1[C@@H](C)CC(C)=O ZINC000082806962 572124112 /nfs/dbraw/zinc/12/41/12/572124112.db2.gz CLMKBMVVVDFYIJ-CYZMBNFOSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCCC[C@@H]1[C@@H](C)CC(C)=O ZINC000082806964 572124125 /nfs/dbraw/zinc/12/41/25/572124125.db2.gz CLMKBMVVVDFYIJ-WCFLWFBJSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCCC[C@H]1[C@@H](C)CC(C)=O ZINC000082806965 572123068 /nfs/dbraw/zinc/12/30/68/572123068.db2.gz CLMKBMVVVDFYIJ-UHTWSYAYSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCCC[C@H]1[C@@H](C)CC(C)=O ZINC000082806968 572124216 /nfs/dbraw/zinc/12/42/16/572124216.db2.gz CLMKBMVVVDFYIJ-DRZSPHRISA-N 0 0 196.334 3.818 10 0 AHAERN CCCCCC[C@@H](C)CC(C)=O ZINC000082807228 572123676 /nfs/dbraw/zinc/12/36/76/572123676.db2.gz GPGAVJBYUAURJV-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN CCCCCC[C@H](C)CC(C)=O ZINC000082807230 573206251 /nfs/dbraw/zinc/20/62/51/573206251.db2.gz GPGAVJBYUAURJV-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CC[C@@H]1CCC[C@H]([C@@H](C)CC(C)=O)C1 ZINC000082807330 572123237 /nfs/dbraw/zinc/12/32/37/572123237.db2.gz AMBPNZHGAYMJCJ-UHTWSYAYSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCC[C@H]([C@@H](C)CC(C)=O)C1 ZINC000082807332 572122792 /nfs/dbraw/zinc/12/27/92/572122792.db2.gz AMBPNZHGAYMJCJ-DRZSPHRISA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCC[C@@H]([C@@H](C)CC(C)=O)C1 ZINC000082807334 572124000 /nfs/dbraw/zinc/12/40/00/572124000.db2.gz AMBPNZHGAYMJCJ-CYZMBNFOSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCC[C@@H]([C@@H](C)CC(C)=O)C1 ZINC000082807336 572123983 /nfs/dbraw/zinc/12/39/83/572123983.db2.gz AMBPNZHGAYMJCJ-WCFLWFBJSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1[C@@H](C)C[C@@H](C)O ZINC000082811763 572124947 /nfs/dbraw/zinc/12/49/47/572124947.db2.gz DHXRVQBGIOYKGK-UMSGYPCISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H]1CCCC[C@@H]1[C@@H](C)C[C@@H](C)O ZINC000082811764 572124820 /nfs/dbraw/zinc/12/48/20/572124820.db2.gz DHXRVQBGIOYKGK-QNWHQSFQSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCCC[C@H]1[C@@H](C)C[C@@H](C)O ZINC000082811765 572125645 /nfs/dbraw/zinc/12/56/45/572125645.db2.gz DHXRVQBGIOYKGK-LOWDOPEQSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H]1CCCC[C@H]1[C@@H](C)C[C@@H](C)O ZINC000082811767 572127032 /nfs/dbraw/zinc/12/70/32/572127032.db2.gz DHXRVQBGIOYKGK-RNJOBUHISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCC[C@H]([C@@H](C)C[C@@H](C)O)C1 ZINC000082811769 572126006 /nfs/dbraw/zinc/12/60/06/572126006.db2.gz PWPUMISTYRGUKQ-LOWDOPEQSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H]1CCC[C@H]([C@@H](C)C[C@@H](C)O)C1 ZINC000082811770 572125653 /nfs/dbraw/zinc/12/56/53/572125653.db2.gz PWPUMISTYRGUKQ-RNJOBUHISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCC[C@@H]([C@@H](C)C[C@@H](C)O)C1 ZINC000082811772 572125599 /nfs/dbraw/zinc/12/55/99/572125599.db2.gz PWPUMISTYRGUKQ-UMSGYPCISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H]1CCC[C@@H]([C@@H](C)C[C@@H](C)O)C1 ZINC000082811774 572125552 /nfs/dbraw/zinc/12/55/52/572125552.db2.gz PWPUMISTYRGUKQ-QNWHQSFQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(=O)CC(C)(C)[C@H]1CCC[C@@H](C)C1 ZINC000082816129 573210631 /nfs/dbraw/zinc/21/06/31/573210631.db2.gz IGZIBPWEDKXUQC-PWSUYJOCSA-N 0 0 196.334 3.818 10 0 AHAERN CC(=O)CC(C)(C)[C@H]1CCC[C@H](C)C1 ZINC000082816130 573210771 /nfs/dbraw/zinc/21/07/71/573210771.db2.gz IGZIBPWEDKXUQC-JQWIXIFHSA-N 0 0 196.334 3.818 10 0 AHAERN CC(=O)CC(C)(C)[C@@H]1CCC[C@@H](C)C1 ZINC000082816131 573210569 /nfs/dbraw/zinc/21/05/69/573210569.db2.gz IGZIBPWEDKXUQC-ZYHUDNBSSA-N 0 0 196.334 3.818 10 0 AHAERN CC(=O)CC(C)(C)[C@@H]1CCC[C@H](C)C1 ZINC000082816132 573207265 /nfs/dbraw/zinc/20/72/65/573207265.db2.gz IGZIBPWEDKXUQC-CMPLNLGQSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H](C)CC(C)(C)CC(C)=O ZINC000082816138 572127446 /nfs/dbraw/zinc/12/74/46/572127446.db2.gz QHLNZLFDHDUWNI-SNVBAGLBSA-N 0 0 184.323 3.818 10 0 AHAERN CCC[C@H](C)CC(C)(C)CC(C)=O ZINC000082816139 572128456 /nfs/dbraw/zinc/12/84/56/572128456.db2.gz QHLNZLFDHDUWNI-JTQLQIEISA-N 0 0 184.323 3.818 10 0 AHAERN CC(=O)CC(C)(C)CCC(C)(C)C ZINC000082816142 572128965 /nfs/dbraw/zinc/12/89/65/572128965.db2.gz QNTMQVYEWHQZDJ-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN CC(=O)CC(C)(C)CC1CCCC1 ZINC000082816247 572128923 /nfs/dbraw/zinc/12/89/23/572128923.db2.gz ABMFVLNSFRVAQZ-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCCCC(C)(C)C[C@@H](C)O ZINC000082816969 572128723 /nfs/dbraw/zinc/12/87/23/572128723.db2.gz UKRANKUNKYENHP-LLVKDONJSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCCC(C)(C)C[C@H](C)O ZINC000082816970 572128301 /nfs/dbraw/zinc/12/83/01/572128301.db2.gz UKRANKUNKYENHP-NSHDSACASA-N 0 0 186.339 3.754 10 0 AHAERN C[C@H](O)CC(C)(C)CCC(C)(C)C ZINC000082817023 572127517 /nfs/dbraw/zinc/12/75/17/572127517.db2.gz MWBDTRDPRBVJAW-JTQLQIEISA-N 0 0 186.339 3.610 10 0 AHAERN C[C@@H](O)CC(C)(C)CCC(C)(C)C ZINC000082817024 572127906 /nfs/dbraw/zinc/12/79/06/572127906.db2.gz MWBDTRDPRBVJAW-SNVBAGLBSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](C)CC(C)(C)C[C@@H](C)O ZINC000082817068 572128082 /nfs/dbraw/zinc/12/80/82/572128082.db2.gz ASRDMZONKYMFBF-GHMZBOCLSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)CC(C)(C)C[C@@H](C)O ZINC000082817069 572127284 /nfs/dbraw/zinc/12/72/84/572127284.db2.gz ASRDMZONKYMFBF-WDEREUQCSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](C)CC(C)(C)C[C@H](C)O ZINC000082817070 572127949 /nfs/dbraw/zinc/12/79/49/572127949.db2.gz ASRDMZONKYMFBF-MNOVXSKESA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)CC(C)(C)C[C@H](C)O ZINC000082817071 572128570 /nfs/dbraw/zinc/12/85/70/572128570.db2.gz ASRDMZONKYMFBF-QWRGUYRKSA-N 0 0 186.339 3.610 10 0 AHAERN C[C@@H](O)CC(C)(C)[C@H]1CCC[C@@H](C)C1 ZINC000082817186 572128573 /nfs/dbraw/zinc/12/85/73/572128573.db2.gz COLPXOORFPXIEK-UTUOFQBUSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H](O)CC(C)(C)[C@@H]1CCC[C@@H](C)C1 ZINC000082817188 572127859 /nfs/dbraw/zinc/12/78/59/572127859.db2.gz COLPXOORFPXIEK-IJLUTSLNSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(O)(CC)C1C[C@H](C)C[C@H](C)C1 ZINC000082832997 572130820 /nfs/dbraw/zinc/13/08/20/572130820.db2.gz BNRTYBBROZHERA-FOSCPWQOSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(O)(CC)C1C[C@@H](C)C[C@H](C)C1 ZINC000082832998 573221052 /nfs/dbraw/zinc/22/10/52/573221052.db2.gz BNRTYBBROZHERA-QWRGUYRKSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(O)(CC)C1C[C@H](C)C[C@@H](C)C1 ZINC000082832999 573219286 /nfs/dbraw/zinc/21/92/86/573219286.db2.gz BNRTYBBROZHERA-GHMZBOCLSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@H](O)C1C[C@H](C)C[C@H](C)C1 ZINC000082833118 572129711 /nfs/dbraw/zinc/12/97/11/572129711.db2.gz YSWBOYMPAIIVIA-HNGCFSAESA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@@H](O)C1C[C@H](C)C[C@H](C)C1 ZINC000082833119 572130102 /nfs/dbraw/zinc/13/01/02/572130102.db2.gz YSWBOYMPAIIVIA-ZGVCCVRISA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@H](O)C1C[C@@H](C)C[C@H](C)C1 ZINC000082833120 572130186 /nfs/dbraw/zinc/13/01/86/572130186.db2.gz YSWBOYMPAIIVIA-GVXVVHGQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC(=O)C1C[C@H](C)C[C@H](C)C1 ZINC000082833247 572130437 /nfs/dbraw/zinc/13/04/37/572130437.db2.gz MVDPRMNRLXDIMH-FOSCPWQOSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)CC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000082833248 573217816 /nfs/dbraw/zinc/21/78/16/573217816.db2.gz MVDPRMNRLXDIMH-QWRGUYRKSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)CC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000082833249 573222177 /nfs/dbraw/zinc/22/21/77/573222177.db2.gz MVDPRMNRLXDIMH-GHMZBOCLSA-N 0 0 196.334 3.674 10 0 AHAERN C[C@H]1CC(C(=O)C(C)(C)C)C[C@@H](C)C1 ZINC000082833268 572130619 /nfs/dbraw/zinc/13/06/19/572130619.db2.gz OELKCYDHYJMRNK-ZACCUICWSA-N 0 0 196.334 3.674 10 0 AHAERN C[C@@H]1CC(C(=O)C(C)(C)C)C[C@@H](C)C1 ZINC000082833269 573218924 /nfs/dbraw/zinc/21/89/24/573218924.db2.gz OELKCYDHYJMRNK-UWVGGRQHSA-N 0 0 196.334 3.674 10 0 AHAERN C[C@H]1CC(C(=O)C(C)(C)C)C[C@H](C)C1 ZINC000082833270 573220886 /nfs/dbraw/zinc/22/08/86/573220886.db2.gz OELKCYDHYJMRNK-NXEZZACHSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H](C)C(=O)C1C[C@H](C)C[C@H](C)C1 ZINC000082833307 572129819 /nfs/dbraw/zinc/12/98/19/572129819.db2.gz RIALYWMEHJFHCP-FBTJUVTCSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](C)C(=O)C1C[C@H](C)C[C@H](C)C1 ZINC000082833308 572129706 /nfs/dbraw/zinc/12/97/06/572129706.db2.gz RIALYWMEHJFHCP-PSIUFMSWSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](C)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000082833310 573219723 /nfs/dbraw/zinc/21/97/23/573219723.db2.gz RIALYWMEHJFHCP-DCAQKATOSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(=O)CCC1C[C@H](C)C[C@H](C)C1 ZINC000082833954 572133965 /nfs/dbraw/zinc/13/39/65/572133965.db2.gz GDNTVZUYYDARHQ-FOSCPWQOSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)CCC1C[C@@H](C)C[C@H](C)C1 ZINC000082833955 572132460 /nfs/dbraw/zinc/13/24/60/572132460.db2.gz GDNTVZUYYDARHQ-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)CCC1C[C@H](C)C[C@@H](C)C1 ZINC000082833956 572132643 /nfs/dbraw/zinc/13/26/43/572132643.db2.gz GDNTVZUYYDARHQ-GHMZBOCLSA-N 0 0 196.334 3.818 10 0 AHAERN CC(=O)C[C@H](C)C1C[C@H](C)C[C@H](C)C1 ZINC000082833965 572134322 /nfs/dbraw/zinc/13/43/22/572134322.db2.gz QLMDCBULMGSDSL-NUVITONLSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)C[C@H](C)C1C[C@@H](C)C[C@H](C)C1 ZINC000082833966 573221254 /nfs/dbraw/zinc/22/12/54/573221254.db2.gz QLMDCBULMGSDSL-DCAQKATOSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)C[C@H](C)C1C[C@H](C)C[C@@H](C)C1 ZINC000082833967 573221336 /nfs/dbraw/zinc/22/13/36/573221336.db2.gz QLMDCBULMGSDSL-MXWKQRLJSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](O)CCC1C[C@H](C)C[C@H](C)C1 ZINC000082834111 572133619 /nfs/dbraw/zinc/13/36/19/572133619.db2.gz MXGAUGISMRVBTL-HNGCFSAESA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](O)CCC1C[C@H](C)C[C@H](C)C1 ZINC000082834112 572134212 /nfs/dbraw/zinc/13/42/12/572134212.db2.gz MXGAUGISMRVBTL-ZGVCCVRISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](O)CCC1C[C@@H](C)C[C@H](C)C1 ZINC000082834113 572132587 /nfs/dbraw/zinc/13/25/87/572132587.db2.gz MXGAUGISMRVBTL-GVXVVHGQSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(O)(CC)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082842492 573230242 /nfs/dbraw/zinc/23/02/42/573230242.db2.gz WKHIZLGZVBCEBC-QJPTWQEYSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(O)(CC)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000082842495 573233374 /nfs/dbraw/zinc/23/33/74/573233374.db2.gz WKHIZLGZVBCEBC-IJLUTSLNSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@H](O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082842833 572152927 /nfs/dbraw/zinc/15/29/27/572152927.db2.gz IPNYRPKVJIEPFK-LOWDOPEQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000082843138 573231364 /nfs/dbraw/zinc/23/13/64/573231364.db2.gz JUAYIDMDOHIOIF-SDDRHHMPSA-N 0 0 196.334 3.674 10 0 AHAERN C[C@@H]1CC[C@H](C(=O)C(C)(C)C)C[C@@H]1C ZINC000082843197 573230176 /nfs/dbraw/zinc/23/01/76/573230176.db2.gz FNYHHSIOPZRKPQ-VWYCJHECSA-N 0 0 196.334 3.674 10 0 AHAERN C[C@H]1CC[C@H](C(=O)C(C)(C)C)C[C@@H]1C ZINC000082843199 572153492 /nfs/dbraw/zinc/15/34/92/572153492.db2.gz FNYHHSIOPZRKPQ-DCAQKATOSA-N 0 0 196.334 3.674 10 0 AHAERN C[C@@H]1CC[C@@H](C(=O)C(C)(C)C)C[C@@H]1C ZINC000082843201 573231234 /nfs/dbraw/zinc/23/12/34/573231234.db2.gz FNYHHSIOPZRKPQ-OUAUKWLOSA-N 0 0 196.334 3.674 10 0 AHAERN C[C@H]1CC[C@@H](C(=O)C(C)(C)C)C[C@@H]1C ZINC000082843203 572153759 /nfs/dbraw/zinc/15/37/59/572153759.db2.gz FNYHHSIOPZRKPQ-GARJFASQSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](C)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082843306 573230201 /nfs/dbraw/zinc/23/02/01/573230201.db2.gz YDKTZPDPTNGSPS-NNYUYHANSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(=O)CC[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082845047 572153842 /nfs/dbraw/zinc/15/38/42/572153842.db2.gz MFNKUSGBMNIKFV-TUAOUCFPSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)CC[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000082845049 572152646 /nfs/dbraw/zinc/15/26/46/572152646.db2.gz MFNKUSGBMNIKFV-UTUOFQBUSA-N 0 0 196.334 3.818 10 0 AHAERN CC(=O)C[C@H](C)[C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000082845143 572153721 /nfs/dbraw/zinc/15/37/21/572153721.db2.gz FVBJMAICMPGQTO-BLFANLJRSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)C[C@H](C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000082845146 573233399 /nfs/dbraw/zinc/23/33/99/573233399.db2.gz FVBJMAICMPGQTO-MPPDQPJWSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)C[C@H](C)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000082845149 573229163 /nfs/dbraw/zinc/22/91/63/573229163.db2.gz FVBJMAICMPGQTO-MRBYEJRBSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](O)CC[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082845523 572154104 /nfs/dbraw/zinc/15/41/04/572154104.db2.gz MBBWLUWNRJVGFJ-RNJOBUHISA-N 0 0 198.350 3.610 10 0 AHAERN CC1CCC(C2(O)CCCCC2)CC1 ZINC000082848779 573230190 /nfs/dbraw/zinc/23/01/90/573230190.db2.gz AVBXJZAYOSKGJK-UHFFFAOYSA-N 0 0 196.334 3.508 10 0 AHAERN CCC1CCC(C2(O)CCCC2)CC1 ZINC000082848799 573229424 /nfs/dbraw/zinc/22/94/24/573229424.db2.gz YIWZNYVRHPJQJH-UHFFFAOYSA-N 0 0 196.334 3.508 10 0 AHAERN CCC1CCC(C(O)(CC)CC)CC1 ZINC000082848810 572154074 /nfs/dbraw/zinc/15/40/74/572154074.db2.gz YBOIMHMFYUFKGS-UHFFFAOYSA-N 0 0 198.350 3.754 10 0 AHAERN CCC1CCC([C@](C)(O)C(C)C)CC1 ZINC000082848814 573229105 /nfs/dbraw/zinc/22/91/05/573229105.db2.gz CENRNSYYUQJWMQ-WXRRBKDZSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC([C@@](C)(O)C(C)C)CC1 ZINC000082848815 573228902 /nfs/dbraw/zinc/22/89/02/573228902.db2.gz CENRNSYYUQJWMQ-BPCQOVAHSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)[C@](C)(O)C1CCC(C)CC1 ZINC000082848829 573230659 /nfs/dbraw/zinc/23/06/59/573230659.db2.gz NTOSFHDPPMNRIP-KPFVRQRISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@](C)(O)C1CCC(C)CC1 ZINC000082848831 573232929 /nfs/dbraw/zinc/23/29/29/573232929.db2.gz NTOSFHDPPMNRIP-MVKMKZAISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)[C@@](C)(O)C1CCC(C)CC1 ZINC000082848833 573230349 /nfs/dbraw/zinc/23/03/49/573230349.db2.gz NTOSFHDPPMNRIP-POOIEITISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@@](C)(O)C1CCC(C)CC1 ZINC000082848835 573232160 /nfs/dbraw/zinc/23/21/60/573232160.db2.gz NTOSFHDPPMNRIP-PYNQCMFNSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@](O)(C(C)C)C1CCC(C)CC1 ZINC000082848838 573230549 /nfs/dbraw/zinc/23/05/49/573230549.db2.gz SCELMGYYHPKNPQ-BPCQOVAHSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@](O)(C(C)C)C1CCC(C)CC1 ZINC000082848839 573229063 /nfs/dbraw/zinc/22/90/63/573229063.db2.gz SCELMGYYHPKNPQ-WXRRBKDZSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@H](O)C1CCC(C)CC1 ZINC000082848931 572152249 /nfs/dbraw/zinc/15/22/49/572152249.db2.gz SSMYTSJJPLIYPT-GDKBPFBDSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@@H](O)C1CCC(C)CC1 ZINC000082848932 572152773 /nfs/dbraw/zinc/15/27/73/572152773.db2.gz SSMYTSJJPLIYPT-KGPNIALWSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@@H](O)C1CCC(CC)CC1 ZINC000082848945 572153447 /nfs/dbraw/zinc/15/34/47/572153447.db2.gz KLASFUVVICXSRO-YWPUVAFDSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@H](O)C1CCC(CC)CC1 ZINC000082848947 572153209 /nfs/dbraw/zinc/15/32/09/572153209.db2.gz KLASFUVVICXSRO-WTIISPKJSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)[C@@H](O)C1CCC(CC)CC1 ZINC000082848948 572152318 /nfs/dbraw/zinc/15/23/18/572152318.db2.gz KLASFUVVICXSRO-IKWCTNDRSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)[C@H](O)C1CCC(CC)CC1 ZINC000082848949 572153816 /nfs/dbraw/zinc/15/38/16/572153816.db2.gz KLASFUVVICXSRO-XVSSEFHLSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC([C@H](O)CC(C)C)CC1 ZINC000082848978 572154064 /nfs/dbraw/zinc/15/40/64/572154064.db2.gz MMGGPZCQQBHABK-WXRRBKDZSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC([C@@H](O)CC(C)C)CC1 ZINC000082848979 572153024 /nfs/dbraw/zinc/15/30/24/572153024.db2.gz MMGGPZCQQBHABK-BPCQOVAHSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@H](O)C1CCC(CC)CC1 ZINC000082848996 572152508 /nfs/dbraw/zinc/15/25/08/572152508.db2.gz CSFWPLDWBHSRKV-BPCQOVAHSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](O)C1CCC(CC)CC1 ZINC000082848997 572153622 /nfs/dbraw/zinc/15/36/22/572153622.db2.gz CSFWPLDWBHSRKV-WXRRBKDZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)[C@H](O)C1CCC(C)CC1 ZINC000082849008 572152334 /nfs/dbraw/zinc/15/23/34/572152334.db2.gz FNVGOPVCOQECLW-KPFVRQRISA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)[C@H](O)C1CCC(C)CC1 ZINC000082849009 572153661 /nfs/dbraw/zinc/15/36/61/572153661.db2.gz FNVGOPVCOQECLW-MVKMKZAISA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H](C)[C@@H](O)C1CCC(C)CC1 ZINC000082849010 572154092 /nfs/dbraw/zinc/15/40/92/572154092.db2.gz FNVGOPVCOQECLW-POOIEITISA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)[C@@H](O)C1CCC(C)CC1 ZINC000082849011 572153702 /nfs/dbraw/zinc/15/37/02/572153702.db2.gz FNVGOPVCOQECLW-PYNQCMFNSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC([C@H](O)C(C)(C)C)CC1 ZINC000082849012 573229097 /nfs/dbraw/zinc/22/90/97/573229097.db2.gz NMVFZIQFWMPWEI-MCIGGMRASA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC([C@@H](O)C(C)(C)C)CC1 ZINC000082849013 573228722 /nfs/dbraw/zinc/22/87/22/573228722.db2.gz NMVFZIQFWMPWEI-HTAVTVPLSA-N 0 0 198.350 3.610 10 0 AHAERN CC1CCC([C@H](O)CC(C)(C)C)CC1 ZINC000082849018 573235157 /nfs/dbraw/zinc/23/51/57/573235157.db2.gz JEJHDZPPRGAOQO-HTAVTVPLSA-N 0 0 198.350 3.610 10 0 AHAERN CC1CCC([C@@H](O)CC(C)(C)C)CC1 ZINC000082849019 573237925 /nfs/dbraw/zinc/23/79/25/573237925.db2.gz JEJHDZPPRGAOQO-MCIGGMRASA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC(C(=O)CC(C)C)CC1 ZINC000082849213 572153529 /nfs/dbraw/zinc/15/35/29/572153529.db2.gz IWUAZAVIVMJCSJ-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(=O)C1CCC(CC)CC1 ZINC000082849219 572152159 /nfs/dbraw/zinc/15/21/59/572152159.db2.gz TXJCYHMDRYHSPN-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCC1CCC(C(=O)C(C)(C)C)CC1 ZINC000082849221 573234663 /nfs/dbraw/zinc/23/46/63/573234663.db2.gz ZHCCOBPTWISQQE-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)C(=O)C1CCC(CC)CC1 ZINC000082849247 572154067 /nfs/dbraw/zinc/15/40/67/572154067.db2.gz BDAOANGAZMLJOT-UNXYVOJBSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H](C)C(=O)C1CCC(CC)CC1 ZINC000082849248 572152862 /nfs/dbraw/zinc/15/28/62/572152862.db2.gz BDAOANGAZMLJOT-VOMCLLRMSA-N 0 0 196.334 3.818 10 0 AHAERN CC1CCC(C(=O)CC(C)(C)C)CC1 ZINC000082849253 573235538 /nfs/dbraw/zinc/23/55/38/573235538.db2.gz YAEBDHFQCOUUJV-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CC1CCC([C@@H]2CCCCC2=O)CC1 ZINC000082856291 573234838 /nfs/dbraw/zinc/23/48/38/573234838.db2.gz IQJDKTSDTJUAAF-MCIGGMRASA-N 0 0 194.318 3.572 10 0 AHAERN CC1CCC([C@H]2CCCCC2=O)CC1 ZINC000082856292 573237653 /nfs/dbraw/zinc/23/76/53/573237653.db2.gz IQJDKTSDTJUAAF-HTAVTVPLSA-N 0 0 194.318 3.572 10 0 AHAERN CCC1CCC([C@@H]2CCCC2=O)CC1 ZINC000082856297 573234959 /nfs/dbraw/zinc/23/49/59/573234959.db2.gz IXSIGTLBRAYTPN-MCIGGMRASA-N 0 0 194.318 3.572 10 0 AHAERN CCC1CCC([C@H]2CCCC2=O)CC1 ZINC000082856298 573234987 /nfs/dbraw/zinc/23/49/87/573234987.db2.gz IXSIGTLBRAYTPN-HTAVTVPLSA-N 0 0 194.318 3.572 10 0 AHAERN CC1CCC([C@@H]2CCCC(=O)C2)CC1 ZINC000082856555 573241237 /nfs/dbraw/zinc/24/12/37/573241237.db2.gz JAHPBXRCWDKIAJ-HTAVTVPLSA-N 0 0 194.318 3.572 10 0 AHAERN CC1CCC([C@H]2CCCC(=O)C2)CC1 ZINC000082856556 573239114 /nfs/dbraw/zinc/23/91/14/573239114.db2.gz JAHPBXRCWDKIAJ-MCIGGMRASA-N 0 0 194.318 3.572 10 0 AHAERN CCC1CCC([C@@H]2CCC(=O)C2)CC1 ZINC000082856559 573240517 /nfs/dbraw/zinc/24/05/17/573240517.db2.gz UHHJYWCZXBAOCI-HTAVTVPLSA-N 0 0 194.318 3.572 10 0 AHAERN CCC1CCC([C@H]2CCC(=O)C2)CC1 ZINC000082856560 573241791 /nfs/dbraw/zinc/24/17/91/573241791.db2.gz UHHJYWCZXBAOCI-MCIGGMRASA-N 0 0 194.318 3.572 10 0 AHAERN CCC1CCC(CCC(C)=O)CC1 ZINC000082856562 572153350 /nfs/dbraw/zinc/15/33/50/572153350.db2.gz FTODUWVIKYXJEQ-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)CCC1CCC(C)CC1 ZINC000082856565 572153203 /nfs/dbraw/zinc/15/32/03/572153203.db2.gz FHEJZNXGQQTLPS-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)CCC1CCC(CC)CC1 ZINC000082856566 572154024 /nfs/dbraw/zinc/15/40/24/572154024.db2.gz GPNGIPADRRRZKL-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)CCC1CCC(C)CC1 ZINC000082856567 572152296 /nfs/dbraw/zinc/15/22/96/572152296.db2.gz GYSCSSBWQCMGSW-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)C(=O)CCC1CCC(C)CC1 ZINC000082856569 572152685 /nfs/dbraw/zinc/15/26/85/572152685.db2.gz KWHPZTPLKINLMG-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CC1CCC(CCC(=O)C2CC2)CC1 ZINC000082856571 572153565 /nfs/dbraw/zinc/15/35/65/572153565.db2.gz QQJXUERDHVYGHP-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN CCC1CCC([C@@H](C)CC(C)=O)CC1 ZINC000082856583 572152640 /nfs/dbraw/zinc/15/26/40/572152640.db2.gz CPLCRKWQXYYPNA-PKSQDBQZSA-N 0 0 196.334 3.818 10 0 AHAERN CCC1CCC([C@H](C)CC(C)=O)CC1 ZINC000082856584 572154009 /nfs/dbraw/zinc/15/40/09/572154009.db2.gz CPLCRKWQXYYPNA-QFWMXSHPSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@H](O)CCC1CCC(C)CC1 ZINC000082856818 572154015 /nfs/dbraw/zinc/15/40/15/572154015.db2.gz IGVGEWOOSADTQW-BPCQOVAHSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](O)CCC1CCC(C)CC1 ZINC000082856819 572154166 /nfs/dbraw/zinc/15/41/66/572154166.db2.gz IGVGEWOOSADTQW-WXRRBKDZSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](O)CCC1CCC(CC)CC1 ZINC000082856832 572154747 /nfs/dbraw/zinc/15/47/47/572154747.db2.gz ZIMQPJKLPDEDRJ-WXRRBKDZSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](O)CCC1CCC(CC)CC1 ZINC000082856833 572155455 /nfs/dbraw/zinc/15/54/55/572155455.db2.gz ZIMQPJKLPDEDRJ-BPCQOVAHSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)[C@@H](O)CCC1CCC(C)CC1 ZINC000082856834 572156658 /nfs/dbraw/zinc/15/66/58/572156658.db2.gz JTDCIDVDADOTNI-BPCQOVAHSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@H](O)CCC1CCC(C)CC1 ZINC000082856835 572155270 /nfs/dbraw/zinc/15/52/70/572155270.db2.gz JTDCIDVDADOTNI-WXRRBKDZSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC([C@@H](C)C[C@@H](C)O)CC1 ZINC000082856854 572155986 /nfs/dbraw/zinc/15/59/86/572155986.db2.gz DJFSYPINBYXCJH-ZFDZMSFRSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC([C@H](C)C[C@@H](C)O)CC1 ZINC000082856855 572154716 /nfs/dbraw/zinc/15/47/16/572154716.db2.gz DJFSYPINBYXCJH-OKZRHMCRSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC([C@@H](C)C[C@H](C)O)CC1 ZINC000082856856 572156221 /nfs/dbraw/zinc/15/62/21/572156221.db2.gz DJFSYPINBYXCJH-ZSVAQUKISA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC([C@H](C)C[C@H](C)O)CC1 ZINC000082856857 572154533 /nfs/dbraw/zinc/15/45/33/572154533.db2.gz DJFSYPINBYXCJH-IALDZJHCSA-N 0 0 198.350 3.610 10 0 AHAERN CC1CCC(Oc2ccccc2)CC1 ZINC000082865092 573250315 /nfs/dbraw/zinc/25/03/15/573250315.db2.gz DOSJSHWAHRWSBY-UHFFFAOYSA-N 0 0 190.286 3.644 10 0 AHAERN CCC[C@@H](C)COc1ccccc1 ZINC000082865095 572157859 /nfs/dbraw/zinc/15/78/59/572157859.db2.gz DXBDTSYXZBRSSE-LLVKDONJSA-N 0 0 178.275 3.502 10 0 AHAERN CCC[C@H](C)COc1ccccc1 ZINC000082865096 572158647 /nfs/dbraw/zinc/15/86/47/572158647.db2.gz DXBDTSYXZBRSSE-NSHDSACASA-N 0 0 178.275 3.502 10 0 AHAERN C[C@@H]1CCC[C@H](Oc2ccccc2)C1 ZINC000082865097 573251027 /nfs/dbraw/zinc/25/10/27/573251027.db2.gz PSZCQTNCNOPBCE-YPMHNXCESA-N 0 0 190.286 3.644 10 0 AHAERN C[C@H]1CCC[C@H](Oc2ccccc2)C1 ZINC000082865098 573248207 /nfs/dbraw/zinc/24/82/07/573248207.db2.gz PSZCQTNCNOPBCE-AAEUAGOBSA-N 0 0 190.286 3.644 10 0 AHAERN C[C@@H]1CCC[C@@H](Oc2ccccc2)C1 ZINC000082865099 573249982 /nfs/dbraw/zinc/24/99/82/573249982.db2.gz PSZCQTNCNOPBCE-DGCLKSJQSA-N 0 0 190.286 3.644 10 0 AHAERN C[C@H]1CCC[C@@H](Oc2ccccc2)C1 ZINC000082865100 573251405 /nfs/dbraw/zinc/25/14/05/573251405.db2.gz PSZCQTNCNOPBCE-WCQYABFASA-N 0 0 190.286 3.644 10 0 AHAERN CCC[C@@H](C)COc1ccccc1C ZINC000082865109 572158496 /nfs/dbraw/zinc/15/84/96/572158496.db2.gz UBNORNHTOJOXCP-LLVKDONJSA-N 0 0 192.302 3.810 10 0 AHAERN CCC[C@H](C)COc1ccccc1C ZINC000082865110 572158571 /nfs/dbraw/zinc/15/85/71/572158571.db2.gz UBNORNHTOJOXCP-NSHDSACASA-N 0 0 192.302 3.810 10 0 AHAERN Fc1ccccc1OC1CCCCC1 ZINC000082865121 573251250 /nfs/dbraw/zinc/25/12/50/573251250.db2.gz BWBQCJRZDLBCEO-UHFFFAOYSA-N 0 0 194.249 3.537 10 0 AHAERN CCC[C@@H](C)COc1ccccc1F ZINC000082865127 572159050 /nfs/dbraw/zinc/15/90/50/572159050.db2.gz VFDZNDVYBDCBMT-SNVBAGLBSA-N 0 0 196.265 3.641 10 0 AHAERN CCC[C@H](C)COc1ccccc1F ZINC000082865128 572157417 /nfs/dbraw/zinc/15/74/17/572157417.db2.gz VFDZNDVYBDCBMT-JTQLQIEISA-N 0 0 196.265 3.641 10 0 AHAERN CC[C@@H](C)Oc1ccccc1Cl ZINC000082865146 573249538 /nfs/dbraw/zinc/24/95/38/573249538.db2.gz YINOCPKFYUXCOB-MRVPVSSYSA-N 0 0 184.666 3.517 10 0 AHAERN CC[C@H](C)Oc1ccccc1Cl ZINC000082865147 573250121 /nfs/dbraw/zinc/25/01/21/573250121.db2.gz YINOCPKFYUXCOB-QMMMGPOBSA-N 0 0 184.666 3.517 10 0 AHAERN CC[C@@H](C)COc1ccccc1Cl ZINC000082865157 572158729 /nfs/dbraw/zinc/15/87/29/572158729.db2.gz FZSCKCSACGMMMT-SECBINFHSA-N 0 0 198.693 3.765 10 0 AHAERN CC[C@H](C)COc1ccccc1Cl ZINC000082865158 572157994 /nfs/dbraw/zinc/15/79/94/572157994.db2.gz FZSCKCSACGMMMT-VIFPVBQESA-N 0 0 198.693 3.765 10 0 AHAERN CCC[C@@H](C)COc1ccc(C)cc1 ZINC000082865166 572157442 /nfs/dbraw/zinc/15/74/42/572157442.db2.gz LPPDFEAXRBUHSO-GFCCVEGCSA-N 0 0 192.302 3.810 10 0 AHAERN CCC[C@H](C)COc1ccc(C)cc1 ZINC000082865167 572157504 /nfs/dbraw/zinc/15/75/04/572157504.db2.gz LPPDFEAXRBUHSO-LBPRGKRZSA-N 0 0 192.302 3.810 10 0 AHAERN Fc1ccc(OC2CCCCC2)cc1 ZINC000082865178 573250640 /nfs/dbraw/zinc/25/06/40/573250640.db2.gz XHCBOTFFQFWUEQ-UHFFFAOYSA-N 0 0 194.249 3.537 10 0 AHAERN CCC[C@@H](C)COc1ccc(F)cc1 ZINC000082865182 572159166 /nfs/dbraw/zinc/15/91/66/572159166.db2.gz DUKGAGFCZNKPEM-SNVBAGLBSA-N 0 0 196.265 3.641 10 0 AHAERN CCC[C@H](C)COc1ccc(F)cc1 ZINC000082865183 572158573 /nfs/dbraw/zinc/15/85/73/572158573.db2.gz DUKGAGFCZNKPEM-JTQLQIEISA-N 0 0 196.265 3.641 10 0 AHAERN CC[C@@H](C)COc1ccc(Cl)cc1 ZINC000082865207 572157130 /nfs/dbraw/zinc/15/71/30/572157130.db2.gz UWXVJZNMTOIIAB-SECBINFHSA-N 0 0 198.693 3.765 10 0 AHAERN CC[C@H](C)COc1ccc(Cl)cc1 ZINC000082865208 572158107 /nfs/dbraw/zinc/15/81/07/572158107.db2.gz UWXVJZNMTOIIAB-VIFPVBQESA-N 0 0 198.693 3.765 10 0 AHAERN CCC[C@@H](C)COc1cccc(C)c1 ZINC000082865220 572159135 /nfs/dbraw/zinc/15/91/35/572159135.db2.gz WOXVWKLJGDSPQQ-GFCCVEGCSA-N 0 0 192.302 3.810 10 0 AHAERN CCC[C@H](C)COc1cccc(C)c1 ZINC000082865221 572157961 /nfs/dbraw/zinc/15/79/61/572157961.db2.gz WOXVWKLJGDSPQQ-LBPRGKRZSA-N 0 0 192.302 3.810 10 0 AHAERN Fc1cccc(OC2CCCCC2)c1 ZINC000082865233 573250239 /nfs/dbraw/zinc/25/02/39/573250239.db2.gz RQRHZCVUKDAWJD-UHFFFAOYSA-N 0 0 194.249 3.537 10 0 AHAERN CCC[C@@H](C)COc1cccc(F)c1 ZINC000082865242 572157868 /nfs/dbraw/zinc/15/78/68/572157868.db2.gz FYTOJKFSIXVEBC-SNVBAGLBSA-N 0 0 196.265 3.641 10 0 AHAERN CCC[C@H](C)COc1cccc(F)c1 ZINC000082865243 572158624 /nfs/dbraw/zinc/15/86/24/572158624.db2.gz FYTOJKFSIXVEBC-JTQLQIEISA-N 0 0 196.265 3.641 10 0 AHAERN CC[C@@H](C)Oc1cccc(Cl)c1 ZINC000082865263 573249502 /nfs/dbraw/zinc/24/95/02/573249502.db2.gz FGLAPEVSAHPDCY-MRVPVSSYSA-N 0 0 184.666 3.517 10 0 AHAERN CC[C@H](C)Oc1cccc(Cl)c1 ZINC000082865264 573249949 /nfs/dbraw/zinc/24/99/49/573249949.db2.gz FGLAPEVSAHPDCY-QMMMGPOBSA-N 0 0 184.666 3.517 10 0 AHAERN CC[C@@H](C)COc1cccc(Cl)c1 ZINC000082865274 572157326 /nfs/dbraw/zinc/15/73/26/572157326.db2.gz TVTGNANFPIJIRO-SECBINFHSA-N 0 0 198.693 3.765 10 0 AHAERN CC[C@H](C)COc1cccc(Cl)c1 ZINC000082865275 572157970 /nfs/dbraw/zinc/15/79/70/572157970.db2.gz TVTGNANFPIJIRO-VIFPVBQESA-N 0 0 198.693 3.765 10 0 AHAERN CCc1ccc(OC[C@@H](C)CC)cc1 ZINC000082865290 572157923 /nfs/dbraw/zinc/15/79/23/572157923.db2.gz MSQWQPBHLFMSFJ-NSHDSACASA-N 0 0 192.302 3.674 10 0 AHAERN CCc1ccc(OC[C@H](C)CC)cc1 ZINC000082865291 572158576 /nfs/dbraw/zinc/15/85/76/572158576.db2.gz MSQWQPBHLFMSFJ-LLVKDONJSA-N 0 0 192.302 3.674 10 0 AHAERN CCCCCOc1cccc(CC)c1 ZINC000082865292 572157908 /nfs/dbraw/zinc/15/79/08/572157908.db2.gz RHNRPRQOVJAGAB-UHFFFAOYSA-N 0 0 192.302 3.818 10 0 AHAERN CCc1cccc(OCCC(C)C)c1 ZINC000082865293 572157637 /nfs/dbraw/zinc/15/76/37/572157637.db2.gz WCWRZOMFSJSFKJ-UHFFFAOYSA-N 0 0 192.302 3.674 10 0 AHAERN CCc1cccc(OC2CCCC2)c1 ZINC000082865304 573251288 /nfs/dbraw/zinc/25/12/88/573251288.db2.gz GQFZIWYOBWXFHY-UHFFFAOYSA-N 0 0 190.286 3.570 10 0 AHAERN CCc1cccc(OC[C@@H](C)CC)c1 ZINC000082865309 572161047 /nfs/dbraw/zinc/16/10/47/572161047.db2.gz SFGQSBDAMCJGFT-NSHDSACASA-N 0 0 192.302 3.674 10 0 AHAERN CCc1cccc(OC[C@H](C)CC)c1 ZINC000082865310 572161628 /nfs/dbraw/zinc/16/16/28/572161628.db2.gz SFGQSBDAMCJGFT-LLVKDONJSA-N 0 0 192.302 3.674 10 0 AHAERN CCCCCOc1ccccc1CC ZINC000082865312 572159958 /nfs/dbraw/zinc/15/99/58/572159958.db2.gz RCSTXSDMFQFXEQ-UHFFFAOYSA-N 0 0 192.302 3.818 10 0 AHAERN CCc1ccccc1OC1CCCC1 ZINC000082865324 573249327 /nfs/dbraw/zinc/24/93/27/573249327.db2.gz SHSMMYDRZDAJGP-UHFFFAOYSA-N 0 0 190.286 3.570 10 0 AHAERN CCc1ccccc1OC[C@@H](C)CC ZINC000082865330 572161539 /nfs/dbraw/zinc/16/15/39/572161539.db2.gz ZMPMEIYRCHIKJG-NSHDSACASA-N 0 0 192.302 3.674 10 0 AHAERN CCc1ccccc1OC[C@H](C)CC ZINC000082865331 572160078 /nfs/dbraw/zinc/16/00/78/572160078.db2.gz ZMPMEIYRCHIKJG-LLVKDONJSA-N 0 0 192.302 3.674 10 0 AHAERN CC[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000082865335 572161550 /nfs/dbraw/zinc/16/15/50/572161550.db2.gz ZBCGQQIXRUMRNT-LLVKDONJSA-N 0 0 192.302 3.987 10 0 AHAERN CC[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000082865336 572160741 /nfs/dbraw/zinc/16/07/41/572160741.db2.gz ZBCGQQIXRUMRNT-NSHDSACASA-N 0 0 192.302 3.987 10 0 AHAERN CC[C@@H](C)Oc1ccccc1C(C)C ZINC000082865344 572159524 /nfs/dbraw/zinc/15/95/24/572159524.db2.gz XMRXXAMJPYVCAP-LLVKDONJSA-N 0 0 192.302 3.987 10 0 AHAERN CC[C@H](C)Oc1ccccc1C(C)C ZINC000082865345 572159672 /nfs/dbraw/zinc/15/96/72/572159672.db2.gz XMRXXAMJPYVCAP-NSHDSACASA-N 0 0 192.302 3.987 10 0 AHAERN CCCCCOc1ccc(C)cc1C ZINC000082865350 572161032 /nfs/dbraw/zinc/16/10/32/572161032.db2.gz MXRIKWAREVGBBC-UHFFFAOYSA-N 0 0 192.302 3.872 10 0 AHAERN Cc1ccc(OCCC(C)C)c(C)c1 ZINC000082865351 572160969 /nfs/dbraw/zinc/16/09/69/572160969.db2.gz BXSMVEPWHXMQOA-UHFFFAOYSA-N 0 0 192.302 3.728 10 0 AHAERN Cc1ccc(OC2CCCC2)c(C)c1 ZINC000082865360 573249344 /nfs/dbraw/zinc/24/93/44/573249344.db2.gz XKUCOJJEVOULEK-UHFFFAOYSA-N 0 0 190.286 3.625 10 0 AHAERN CC[C@@H](C)COc1ccc(C)cc1C ZINC000082865365 572161236 /nfs/dbraw/zinc/16/12/36/572161236.db2.gz DLUCFAOWAQMPLH-SNVBAGLBSA-N 0 0 192.302 3.728 10 0 AHAERN CC[C@H](C)COc1ccc(C)cc1C ZINC000082865366 572161148 /nfs/dbraw/zinc/16/11/48/572161148.db2.gz DLUCFAOWAQMPLH-JTQLQIEISA-N 0 0 192.302 3.728 10 0 AHAERN CC(C)C(C)(C)[C@H]1CC[C@@H](C)CC1=O ZINC000082865391 573250867 /nfs/dbraw/zinc/25/08/67/573250867.db2.gz CWXVTBGDRZSZCP-MNOVXSKESA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C(C)(C)[C@H]1CC[C@H](C)CC1=O ZINC000082865392 573251483 /nfs/dbraw/zinc/25/14/83/573251483.db2.gz CWXVTBGDRZSZCP-QWRGUYRKSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C(C)(C)[C@@H]1CC[C@@H](C)CC1=O ZINC000082865393 573251186 /nfs/dbraw/zinc/25/11/86/573251186.db2.gz CWXVTBGDRZSZCP-GHMZBOCLSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C(C)(C)[C@@H]1CC[C@H](C)CC1=O ZINC000082865394 573248688 /nfs/dbraw/zinc/24/86/88/573248688.db2.gz CWXVTBGDRZSZCP-WDEREUQCSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC(C)(C)[C@@H]1CC[C@H](C)CC1=O ZINC000082865407 573251200 /nfs/dbraw/zinc/25/12/00/573251200.db2.gz UFMXALKDXAFCIJ-WDEREUQCSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(C)(C)[C@H]1CC[C@H](C)CC1=O ZINC000082865408 573251295 /nfs/dbraw/zinc/25/12/95/573251295.db2.gz UFMXALKDXAFCIJ-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O ZINC000082865409 573249938 /nfs/dbraw/zinc/24/99/38/573249938.db2.gz UFMXALKDXAFCIJ-GHMZBOCLSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(C)(C)[C@H]1CC[C@@H](C)CC1=O ZINC000082865410 573250726 /nfs/dbraw/zinc/25/07/26/573250726.db2.gz UFMXALKDXAFCIJ-MNOVXSKESA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O ZINC000082865660 573250412 /nfs/dbraw/zinc/25/04/12/573250412.db2.gz IKRWUIFZQYUFTE-TUAOUCFPSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC(C)(C)[C@H]1CC[C@H](C)C[C@@H]1O ZINC000082865661 572161818 /nfs/dbraw/zinc/16/18/18/572161818.db2.gz IKRWUIFZQYUFTE-SRVKXCTJSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O ZINC000082865662 573249688 /nfs/dbraw/zinc/24/96/88/573249688.db2.gz IKRWUIFZQYUFTE-UTUOFQBUSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC(C)(C)[C@H]1CC[C@@H](C)C[C@@H]1O ZINC000082865663 572161161 /nfs/dbraw/zinc/16/11/61/572161161.db2.gz IKRWUIFZQYUFTE-WOPDTQHZSA-N 0 0 198.350 3.610 10 0 AHAERN Clc1cccc(C2CCCCC2)n1 ZINC000082908419 169025238 /nfs/dbraw/zinc/02/52/38/169025238.db2.gz WVLXRMYCIXTHSM-UHFFFAOYSA-N 0 0 195.693 3.783 10 0 AHAERN CC[C@@H](C)COc1cc(C)ccc1F ZINC000082940234 572180274 /nfs/dbraw/zinc/18/02/74/572180274.db2.gz MRGMHERUEJJZBQ-SECBINFHSA-N 0 0 196.265 3.559 10 0 AHAERN CC[C@H](C)COc1cc(C)ccc1F ZINC000082940236 572182481 /nfs/dbraw/zinc/18/24/81/572182481.db2.gz MRGMHERUEJJZBQ-VIFPVBQESA-N 0 0 196.265 3.559 10 0 AHAERN CC[C@@H](C)n1c(C(C)C)c[nH]c1=S ZINC000082944611 573310637 /nfs/dbraw/zinc/31/06/37/573310637.db2.gz FCJWZEIMZMTFJT-MRVPVSSYSA-N 0 0 198.335 3.640 10 0 AHAERN CC[C@H](C)n1c(C(C)C)c[nH]c1=S ZINC000082944614 573312339 /nfs/dbraw/zinc/31/23/39/573312339.db2.gz FCJWZEIMZMTFJT-QMMMGPOBSA-N 0 0 198.335 3.640 10 0 AHAERN CCCCCC[C@@H]1CCC(=O)[C@@H]1C ZINC000083001595 572169399 /nfs/dbraw/zinc/16/93/99/572169399.db2.gz XMRZYCBRPRJKPM-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCCC[C@H]1CCC(=O)[C@@H]1C ZINC000083001596 573354057 /nfs/dbraw/zinc/35/40/57/573354057.db2.gz XMRZYCBRPRJKPM-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CCCCCC[C@@H]1CCC(=O)[C@H]1C ZINC000083001597 572168512 /nfs/dbraw/zinc/16/85/12/572168512.db2.gz XMRZYCBRPRJKPM-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCCC[C@H]1CCC(=O)[C@H]1C ZINC000083001598 572169605 /nfs/dbraw/zinc/16/96/05/572169605.db2.gz XMRZYCBRPRJKPM-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN Cc1ccc(C)n1[C@@H]1CC[C@H](C)[C@@H]1C ZINC000083046303 573375772 /nfs/dbraw/zinc/37/57/72/573375772.db2.gz YCCXYUYNDLYCOZ-TVYUQYBPSA-N 0 0 191.318 3.712 10 0 AHAERN Cc1ccc(C)n1[C@@H]1CC[C@@H](C)[C@@H]1C ZINC000083046306 573378270 /nfs/dbraw/zinc/37/82/70/573378270.db2.gz YCCXYUYNDLYCOZ-JIMOISOXSA-N 0 0 191.318 3.712 10 0 AHAERN CCCC[C@@H]1CCc2ccccc2N1 ZINC000083094577 343616889 /nfs/dbraw/zinc/61/68/89/343616889.db2.gz GVAZHZFKDJFLNN-GFCCVEGCSA-N 0 0 189.302 3.604 10 0 AHAERN CCCC[C@H]1CCc2ccccc2N1 ZINC000083094579 343616790 /nfs/dbraw/zinc/61/67/90/343616790.db2.gz GVAZHZFKDJFLNN-LBPRGKRZSA-N 0 0 189.302 3.604 10 0 AHAERN CCc1cc(Cl)c2sccc2n1 ZINC000083119969 573412398 /nfs/dbraw/zinc/41/23/98/573412398.db2.gz FZGDVRLLSVCYOB-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CCC1CCC(C(=O)C2CCC2)CC1 ZINC000083120233 573413016 /nfs/dbraw/zinc/41/30/16/573413016.db2.gz WDOMMKHPBWIGLJ-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC[C@H](C(=O)C2CCC2)C1 ZINC000083120286 573414302 /nfs/dbraw/zinc/41/43/02/573414302.db2.gz IQGGOOOVFBKGED-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC[C@H](C(=O)C2CCC2)C1 ZINC000083120287 573412371 /nfs/dbraw/zinc/41/23/71/573412371.db2.gz IQGGOOOVFBKGED-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC[C@@H](C(=O)C2CCC2)C1 ZINC000083120288 573414003 /nfs/dbraw/zinc/41/40/03/573414003.db2.gz IQGGOOOVFBKGED-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC[C@@H](C(=O)C2CCC2)C1 ZINC000083120289 573414380 /nfs/dbraw/zinc/41/43/80/573414380.db2.gz IQGGOOOVFBKGED-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CCCC[C@@H](CC)CC(=O)C1CCC1 ZINC000083120299 572188035 /nfs/dbraw/zinc/18/80/35/572188035.db2.gz FDHQLIIYCHQWMT-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H](CC)CC(=O)C1CCC1 ZINC000083120300 572186950 /nfs/dbraw/zinc/18/69/50/572186950.db2.gz FDHQLIIYCHQWMT-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1C(=O)C1CCC1 ZINC000083120311 573411628 /nfs/dbraw/zinc/41/16/28/573411628.db2.gz VBJUFBDADLTKRU-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCCC[C@@H]1C(=O)C1CCC1 ZINC000083120312 573411927 /nfs/dbraw/zinc/41/19/27/573411927.db2.gz VBJUFBDADLTKRU-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCCC[C@H]1C(=O)C1CCC1 ZINC000083120313 573412578 /nfs/dbraw/zinc/41/25/78/573412578.db2.gz VBJUFBDADLTKRU-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCCC[C@H]1C(=O)C1CCC1 ZINC000083120314 573413054 /nfs/dbraw/zinc/41/30/54/573413054.db2.gz VBJUFBDADLTKRU-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CCCC[C@@H](CC)C[C@H](O)C1CCC1 ZINC000083120936 573412586 /nfs/dbraw/zinc/41/25/86/573412586.db2.gz HALAAIKPOPWOGV-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@H](O)C1CCC1 ZINC000083120937 572198693 /nfs/dbraw/zinc/19/86/93/572198693.db2.gz HALAAIKPOPWOGV-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](CC)C[C@@H](O)C1CCC1 ZINC000083120939 572197659 /nfs/dbraw/zinc/19/76/59/572197659.db2.gz HALAAIKPOPWOGV-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@@H](O)C1CCC1 ZINC000083120941 572197210 /nfs/dbraw/zinc/19/72/10/572197210.db2.gz HALAAIKPOPWOGV-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC(=O)c1cc(C)c(C)cc1Cl ZINC000083165588 573438123 /nfs/dbraw/zinc/43/81/23/573438123.db2.gz PTVICKAIQXZYDV-UHFFFAOYSA-N 0 0 196.677 3.550 10 0 AHAERN C=Cc1ccc2c(c1)[nH]c1ccccc12 ZINC000083253091 166223445 /nfs/dbraw/zinc/22/34/45/166223445.db2.gz JJEJACZBVVTDIH-UHFFFAOYSA-N 0 0 193.249 3.964 10 0 AHAERN Cc1ccc(C2CCCCC2)cc1N ZINC000083254955 343617663 /nfs/dbraw/zinc/61/76/63/343617663.db2.gz AWPKUTDSDRVAFE-UHFFFAOYSA-N 0 0 189.302 3.625 10 0 AHAERN Cc1ccc(N)cc1C1CCCCC1 ZINC000083254957 343617844 /nfs/dbraw/zinc/61/78/44/343617844.db2.gz FHALAAXWXLHRFJ-UHFFFAOYSA-N 0 0 189.302 3.625 10 0 AHAERN Fc1ccc(/C=C\c2ccccc2)cc1 ZINC000083314884 169081870 /nfs/dbraw/zinc/08/18/70/169081870.db2.gz LVDRRTRBRXDRIP-SREVYHEPSA-N 0 0 198.240 3.996 10 0 AHAERN Oc1cccc(/C=C\c2ccccc2)c1 ZINC000083330367 631157958 /nfs/dbraw/zinc/15/79/58/631157958.db2.gz XBHJTSIYYWRJFQ-KTKRTIGZSA-N 0 0 196.249 3.563 10 0 AHAERN C/C=C\C12CC3CC(CC(C3)C1)C2 ZINC000083333166 166068399 /nfs/dbraw/zinc/06/83/99/166068399.db2.gz KJONNQZAPZNSNI-IHWYPQMZSA-N 0 0 176.303 3.779 10 0 AHAERN CCCNc1ccc(C(C)C)c(C)c1 ZINC000083341702 167005689 /nfs/dbraw/zinc/00/56/89/167005689.db2.gz CEVOUUHNDDZBGQ-UHFFFAOYSA-N 0 0 191.318 3.940 10 0 AHAERN Cc1cc(NCC(C)C)ccc1Cl ZINC000083342854 168772259 /nfs/dbraw/zinc/77/22/59/168772259.db2.gz ADEAFOGQXGLRLU-UHFFFAOYSA-N 0 0 197.709 3.716 10 0 AHAERN CCCNc1c(C)ccc(Cl)c1C ZINC000083342856 167006091 /nfs/dbraw/zinc/00/60/91/167006091.db2.gz YAISRBXXTSHCOW-UHFFFAOYSA-N 0 0 197.709 3.779 10 0 AHAERN CCCCC[C@@H]1Cc2ccccc2N1 ZINC000083388944 572208680 /nfs/dbraw/zinc/20/86/80/572208680.db2.gz NVMYLQAJSRSYAN-GFCCVEGCSA-N 0 0 189.302 3.604 10 0 AHAERN CCCCC[C@H]1Cc2ccccc2N1 ZINC000083388945 572207043 /nfs/dbraw/zinc/20/70/43/572207043.db2.gz NVMYLQAJSRSYAN-LBPRGKRZSA-N 0 0 189.302 3.604 10 0 AHAERN Cl/C=C\c1ccccc1Cl ZINC000083406926 169016329 /nfs/dbraw/zinc/01/63/29/169016329.db2.gz XKPCIGDIOQKJEB-WAYWQWQTSA-N 0 0 173.042 3.550 10 0 AHAERN Cc1ccccc1-c1ccccc1 ZINC000083407080 169468796 /nfs/dbraw/zinc/46/87/96/169468796.db2.gz XJNWUVCEENSJQA-UHFFFAOYSA-N 0 0 167.231 3.536 10 0 AHAERN C=Cc1cc2sc(C)cc2s1 ZINC000083428693 166223198 /nfs/dbraw/zinc/22/31/98/166223198.db2.gz XUSWMGXQYGDSPU-UHFFFAOYSA-N 0 0 180.297 3.914 10 0 AHAERN C[C@@H]1CCC[C@](O)(C2CCCC2)CC1 ZINC000083434489 573499363 /nfs/dbraw/zinc/49/93/63/573499363.db2.gz WFYFATNCUIYRTJ-DGCLKSJQSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H]1CCC[C@](O)(C2CCCC2)CC1 ZINC000083434490 573501640 /nfs/dbraw/zinc/50/16/40/573501640.db2.gz WFYFATNCUIYRTJ-WCQYABFASA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@H]1CCC[C@@](O)(C2CCCC2)CC1 ZINC000083434491 573498649 /nfs/dbraw/zinc/49/86/49/573498649.db2.gz WFYFATNCUIYRTJ-YPMHNXCESA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H]1CCC[C@@](O)(C2CCCC2)CC1 ZINC000083434492 573502036 /nfs/dbraw/zinc/50/20/36/573502036.db2.gz WFYFATNCUIYRTJ-AAEUAGOBSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@]1(O)CCC[C@H](CC)CC1 ZINC000083436500 573506083 /nfs/dbraw/zinc/50/60/83/573506083.db2.gz QWBCIDFAUSPUQB-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@@]1(O)CCC[C@H](CC)CC1 ZINC000083436501 573504202 /nfs/dbraw/zinc/50/42/02/573504202.db2.gz QWBCIDFAUSPUQB-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@]1(O)CCC[C@@H](CC)CC1 ZINC000083436502 573503889 /nfs/dbraw/zinc/50/38/89/573503889.db2.gz QWBCIDFAUSPUQB-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@@]1(O)CCC[C@@H](CC)CC1 ZINC000083436503 573505637 /nfs/dbraw/zinc/50/56/37/573505637.db2.gz QWBCIDFAUSPUQB-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN CC[C@@H]1CCC[C@](O)(CC(C)C)CC1 ZINC000083436524 573503810 /nfs/dbraw/zinc/50/38/10/573503810.db2.gz WKNAZPRBALFNGP-CHWSQXEVSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CCC[C@](O)(CC(C)C)CC1 ZINC000083436525 573504478 /nfs/dbraw/zinc/50/44/78/573504478.db2.gz WKNAZPRBALFNGP-QWHCGFSZSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H]1CCC[C@@](O)(CC(C)C)CC1 ZINC000083436526 573503770 /nfs/dbraw/zinc/50/37/70/573503770.db2.gz WKNAZPRBALFNGP-OLZOCXBDSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CCC[C@@](O)(CC(C)C)CC1 ZINC000083436527 573506790 /nfs/dbraw/zinc/50/67/90/573506790.db2.gz WKNAZPRBALFNGP-STQMWFEESA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@]1(O)CCCC(C)(C)CC1 ZINC000083436578 573506259 /nfs/dbraw/zinc/50/62/59/573506259.db2.gz YSVPPSNBNFTFTE-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@@]1(O)CCCC(C)(C)CC1 ZINC000083436579 573506324 /nfs/dbraw/zinc/50/63/24/573506324.db2.gz YSVPPSNBNFTFTE-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CC(C)C[C@]1(O)CCCC(C)(C)CC1 ZINC000083436592 573506439 /nfs/dbraw/zinc/50/64/39/573506439.db2.gz JBZHIMJTMIUMAZ-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C[C@@]1(O)CCCC(C)(C)CC1 ZINC000083436593 573504831 /nfs/dbraw/zinc/50/48/31/573504831.db2.gz JBZHIMJTMIUMAZ-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H]1CCC[C@](O)(C(C)C)CC1 ZINC000083437978 573507039 /nfs/dbraw/zinc/50/70/39/573507039.db2.gz RGBKWGALDXLVBC-CHWSQXEVSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H]1CCC[C@](O)(C(C)C)CC1 ZINC000083437979 573507232 /nfs/dbraw/zinc/50/72/32/573507232.db2.gz RGBKWGALDXLVBC-QWHCGFSZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H]1CCC[C@@](O)(C(C)C)CC1 ZINC000083437980 573503099 /nfs/dbraw/zinc/50/30/99/573503099.db2.gz RGBKWGALDXLVBC-OLZOCXBDSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H]1CCC[C@@](O)(C(C)C)CC1 ZINC000083437981 573504358 /nfs/dbraw/zinc/50/43/58/573504358.db2.gz RGBKWGALDXLVBC-STQMWFEESA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H]1CCC[C@](O)(CC)CC1 ZINC000083438014 573503682 /nfs/dbraw/zinc/50/36/82/573503682.db2.gz JORZZWPGQSUEDK-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@H]1CCC[C@](O)(CC)CC1 ZINC000083438015 573505245 /nfs/dbraw/zinc/50/52/45/573505245.db2.gz JORZZWPGQSUEDK-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@@H]1CCC[C@@](O)(CC)CC1 ZINC000083438016 573506035 /nfs/dbraw/zinc/50/60/35/573506035.db2.gz JORZZWPGQSUEDK-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@H]1CCC[C@@](O)(CC)CC1 ZINC000083438017 573503652 /nfs/dbraw/zinc/50/36/52/573503652.db2.gz JORZZWPGQSUEDK-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@@H]1CCC[C@](O)(CCC)CC1 ZINC000083438018 572215296 /nfs/dbraw/zinc/21/52/96/572215296.db2.gz RPNSAXXIJWNNSE-CHWSQXEVSA-N 0 0 198.350 3.898 10 0 AHAERN CCC[C@H]1CCC[C@](O)(CCC)CC1 ZINC000083438019 572215698 /nfs/dbraw/zinc/21/56/98/572215698.db2.gz RPNSAXXIJWNNSE-QWHCGFSZSA-N 0 0 198.350 3.898 10 0 AHAERN CCC[C@@H]1CCC[C@@](O)(CCC)CC1 ZINC000083438020 572214569 /nfs/dbraw/zinc/21/45/69/572214569.db2.gz RPNSAXXIJWNNSE-OLZOCXBDSA-N 0 0 198.350 3.898 10 0 AHAERN CCC[C@H]1CCC[C@@](O)(CCC)CC1 ZINC000083438021 572215373 /nfs/dbraw/zinc/21/53/73/572215373.db2.gz RPNSAXXIJWNNSE-STQMWFEESA-N 0 0 198.350 3.898 10 0 AHAERN CC(C)[C@@H]1CCC[C@](O)(C(C)C)CC1 ZINC000083438042 573505238 /nfs/dbraw/zinc/50/52/38/573505238.db2.gz JYMYQSMEJNQVFO-CHWSQXEVSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@H]1CCC[C@](O)(C(C)C)CC1 ZINC000083438043 573503995 /nfs/dbraw/zinc/50/39/95/573503995.db2.gz JYMYQSMEJNQVFO-QWHCGFSZSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@H]1CCC[C@@](O)(C(C)C)CC1 ZINC000083438044 573505907 /nfs/dbraw/zinc/50/59/07/573505907.db2.gz JYMYQSMEJNQVFO-OLZOCXBDSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@H]1CCC[C@@](O)(C(C)C)CC1 ZINC000083438045 573503897 /nfs/dbraw/zinc/50/38/97/573503897.db2.gz JYMYQSMEJNQVFO-STQMWFEESA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@]1(O)CCC[C@H](C(C)C)CC1 ZINC000083438082 573507735 /nfs/dbraw/zinc/50/77/35/573507735.db2.gz NUGXMJAIIKJVCR-STQMWFEESA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@]1(O)CCC[C@H](C(C)C)CC1 ZINC000083438083 573507165 /nfs/dbraw/zinc/50/71/65/573507165.db2.gz NUGXMJAIIKJVCR-QWHCGFSZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@]1(O)CCC[C@@H](C(C)C)CC1 ZINC000083438084 573507452 /nfs/dbraw/zinc/50/74/52/573507452.db2.gz NUGXMJAIIKJVCR-OLZOCXBDSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@]1(O)CCC[C@@H](C(C)C)CC1 ZINC000083438085 573506664 /nfs/dbraw/zinc/50/66/64/573506664.db2.gz NUGXMJAIIKJVCR-CHWSQXEVSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@]1(O)CCC[C@H](C(C)(C)C)CC1 ZINC000083438708 573509934 /nfs/dbraw/zinc/50/99/34/573509934.db2.gz WFDSXPQSCYUCKD-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@]1(O)CCC[C@H](C(C)(C)C)CC1 ZINC000083438709 573508826 /nfs/dbraw/zinc/50/88/26/573508826.db2.gz WFDSXPQSCYUCKD-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@]1(O)CCC[C@@H](C(C)(C)C)CC1 ZINC000083438710 573509203 /nfs/dbraw/zinc/50/92/03/573509203.db2.gz WFDSXPQSCYUCKD-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1 ZINC000083438711 573511323 /nfs/dbraw/zinc/51/13/23/573511323.db2.gz WFDSXPQSCYUCKD-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN FC1(F)C=CC(c2ccccc2)=CC1 ZINC000083442089 572807755 /nfs/dbraw/zinc/80/77/55/572807755.db2.gz XJVJEDGZZWISLJ-UHFFFAOYSA-N 0 0 192.208 3.665 10 0 AHAERN CCC(CC)[C@H](O)c1csc(C)c1 ZINC000083448024 572220857 /nfs/dbraw/zinc/22/08/57/572220857.db2.gz IVEDLMRRYHMHGQ-NSHDSACASA-N 0 0 198.331 3.526 10 0 AHAERN CCC(CC)[C@@H](O)c1csc(C)c1 ZINC000083448026 572221032 /nfs/dbraw/zinc/22/10/32/572221032.db2.gz IVEDLMRRYHMHGQ-LLVKDONJSA-N 0 0 198.331 3.526 10 0 AHAERN CCC[C@@H](C)[C@H](O)c1csc(C)c1 ZINC000083448458 572222231 /nfs/dbraw/zinc/22/22/31/572222231.db2.gz NSVLJLVPCMWEAY-KCJUWKMLSA-N 0 0 198.331 3.526 10 0 AHAERN CCC[C@H](C)[C@H](O)c1csc(C)c1 ZINC000083448461 572221474 /nfs/dbraw/zinc/22/14/74/572221474.db2.gz NSVLJLVPCMWEAY-KWQFWETISA-N 0 0 198.331 3.526 10 0 AHAERN CCC[C@@H](C)[C@@H](O)c1csc(C)c1 ZINC000083448464 572220975 /nfs/dbraw/zinc/22/09/75/572220975.db2.gz NSVLJLVPCMWEAY-LDYMZIIASA-N 0 0 198.331 3.526 10 0 AHAERN CCC[C@H](C)[C@@H](O)c1csc(C)c1 ZINC000083448467 572221793 /nfs/dbraw/zinc/22/17/93/572221793.db2.gz NSVLJLVPCMWEAY-GZMMTYOYSA-N 0 0 198.331 3.526 10 0 AHAERN CCCCC[C@H](O)c1csc(C)c1 ZINC000083448484 572222274 /nfs/dbraw/zinc/22/22/74/572222274.db2.gz WFNYTVCZEMPNDG-NSHDSACASA-N 0 0 198.331 3.670 10 0 AHAERN CCCCC[C@@H](O)c1csc(C)c1 ZINC000083448487 572221094 /nfs/dbraw/zinc/22/10/94/572221094.db2.gz WFNYTVCZEMPNDG-LLVKDONJSA-N 0 0 198.331 3.670 10 0 AHAERN Cc1cc([C@H](O)CC(C)(C)C)cs1 ZINC000083448488 573511106 /nfs/dbraw/zinc/51/11/06/573511106.db2.gz NXEXUAWUNNDGCH-SNVBAGLBSA-N 0 0 198.331 3.526 10 0 AHAERN Cc1cc([C@@H](O)CC(C)(C)C)cs1 ZINC000083448499 573511956 /nfs/dbraw/zinc/51/19/56/573511956.db2.gz NXEXUAWUNNDGCH-JTQLQIEISA-N 0 0 198.331 3.526 10 0 AHAERN Cc1cc(C(=O)CCC(C)C)cs1 ZINC000083450067 572222521 /nfs/dbraw/zinc/22/25/21/572222521.db2.gz JKNVGZXJALCKSB-UHFFFAOYSA-N 0 0 196.315 3.675 10 0 AHAERN Cc1cc(C(=O)CC(C)(C)C)cs1 ZINC000083450197 573510540 /nfs/dbraw/zinc/51/05/40/573510540.db2.gz JMKAMMHCLUCLTJ-UHFFFAOYSA-N 0 0 196.315 3.675 10 0 AHAERN Cc1cc([C@H](O)CCC(C)C)cs1 ZINC000083450390 572220542 /nfs/dbraw/zinc/22/05/42/572220542.db2.gz KQJZHBDJQKJIDC-LLVKDONJSA-N 0 0 198.331 3.526 10 0 AHAERN Cc1cc([C@@H](O)CCC(C)C)cs1 ZINC000083450392 572221868 /nfs/dbraw/zinc/22/18/68/572221868.db2.gz KQJZHBDJQKJIDC-NSHDSACASA-N 0 0 198.331 3.526 10 0 AHAERN CC(C)(C)CCC1(O)CCCCC1 ZINC000083502430 573532793 /nfs/dbraw/zinc/53/27/93/573532793.db2.gz WJSSAEIULRYELU-UHFFFAOYSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@@H](C)CC1(O)CCCCC1 ZINC000083502454 572326432 /nfs/dbraw/zinc/32/64/32/572326432.db2.gz GSYGKFCLLAUGQI-LLVKDONJSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@H](C)CC1(O)CCCCC1 ZINC000083502455 572327037 /nfs/dbraw/zinc/32/70/37/572327037.db2.gz GSYGKFCLLAUGQI-NSHDSACASA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@]1(O)CCC[C@H](C)C1 ZINC000083502478 572326193 /nfs/dbraw/zinc/32/61/93/572326193.db2.gz BVWWDKYYFKLTRS-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@@]1(O)CCC[C@H](C)C1 ZINC000083502479 572326803 /nfs/dbraw/zinc/32/68/03/572326803.db2.gz BVWWDKYYFKLTRS-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@]1(O)CCC[C@@H](C)C1 ZINC000083502480 572327292 /nfs/dbraw/zinc/32/72/92/572327292.db2.gz BVWWDKYYFKLTRS-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@@]1(O)CCC[C@@H](C)C1 ZINC000083502481 572326462 /nfs/dbraw/zinc/32/64/62/572326462.db2.gz BVWWDKYYFKLTRS-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN C[C@@H]1CCC[C@](O)(CCC(C)(C)C)C1 ZINC000083502482 573532892 /nfs/dbraw/zinc/53/28/92/573532892.db2.gz UIIHAXJIUZRZRV-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN C[C@H]1CCC[C@](O)(CCC(C)(C)C)C1 ZINC000083502483 573535035 /nfs/dbraw/zinc/53/50/35/573535035.db2.gz UIIHAXJIUZRZRV-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN C[C@@H]1CCC[C@@](O)(CCC(C)(C)C)C1 ZINC000083502484 573532264 /nfs/dbraw/zinc/53/22/64/573532264.db2.gz UIIHAXJIUZRZRV-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN C[C@H]1CCC[C@@](O)(CCC(C)(C)C)C1 ZINC000083502485 573536235 /nfs/dbraw/zinc/53/62/35/573536235.db2.gz UIIHAXJIUZRZRV-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@]1(O)CCC[C@H](C)C1 ZINC000083502490 572326208 /nfs/dbraw/zinc/32/62/08/572326208.db2.gz QRHHSVNMVIDTNL-STQMWFEESA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@@]1(O)CCC[C@H](C)C1 ZINC000083502491 572327743 /nfs/dbraw/zinc/32/77/43/572327743.db2.gz QRHHSVNMVIDTNL-QWHCGFSZSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@]1(O)CCC[C@@H](C)C1 ZINC000083502492 572327283 /nfs/dbraw/zinc/32/72/83/572327283.db2.gz QRHHSVNMVIDTNL-OLZOCXBDSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@@]1(O)CCC[C@@H](C)C1 ZINC000083502493 572327554 /nfs/dbraw/zinc/32/75/54/572327554.db2.gz QRHHSVNMVIDTNL-CHWSQXEVSA-N 0 0 198.350 3.898 10 0 AHAERN C[C@@H]1CCC[C@](O)(CC2CCCC2)C1 ZINC000083502534 573533171 /nfs/dbraw/zinc/53/31/71/573533171.db2.gz GGEUYOSAEAYGTF-DGCLKSJQSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H]1CCC[C@](O)(CC2CCCC2)C1 ZINC000083502535 573535322 /nfs/dbraw/zinc/53/53/22/573535322.db2.gz GGEUYOSAEAYGTF-WCQYABFASA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@H]1CCC[C@@](O)(CC2CCCC2)C1 ZINC000083502536 573532016 /nfs/dbraw/zinc/53/20/16/573532016.db2.gz GGEUYOSAEAYGTF-YPMHNXCESA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H]1CCC[C@@](O)(CC2CCCC2)C1 ZINC000083502537 573536002 /nfs/dbraw/zinc/53/60/02/573536002.db2.gz GGEUYOSAEAYGTF-AAEUAGOBSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H](C)C[C@]1(O)CCC[C@H](C)C1 ZINC000083502547 572326660 /nfs/dbraw/zinc/32/66/60/572326660.db2.gz PEQSSOMEQCNWRE-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@@]1(O)CCC[C@H](C)C1 ZINC000083502549 572327034 /nfs/dbraw/zinc/32/70/34/572327034.db2.gz PEQSSOMEQCNWRE-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC1(O)CCC(CCC)CC1 ZINC000083502558 572326236 /nfs/dbraw/zinc/32/62/36/572326236.db2.gz MVAQUFQLQWHBAH-UHFFFAOYSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC1(O)CCC(C)CC1 ZINC000083502572 572327680 /nfs/dbraw/zinc/32/76/80/572327680.db2.gz JWWDGEFWMAXXFF-UHFFFAOYSA-N 0 0 184.323 3.508 10 0 AHAERN CC1CCC(O)(CCC(C)(C)C)CC1 ZINC000083502573 573532712 /nfs/dbraw/zinc/53/27/12/573532712.db2.gz BOHFCZIBVDWUHM-UHFFFAOYSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCCC1(O)CCC(C)CC1 ZINC000083502575 572327073 /nfs/dbraw/zinc/32/70/73/572327073.db2.gz ABSYMCCZWAVVTH-UHFFFAOYSA-N 0 0 198.350 3.898 10 0 AHAERN CC1CCC(O)(CC2CCCC2)CC1 ZINC000083502586 573535872 /nfs/dbraw/zinc/53/58/72/573535872.db2.gz BQDLVIWNDXDVSW-UHFFFAOYSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@@H](C)CC1(O)CCC(C)CC1 ZINC000083502590 572327676 /nfs/dbraw/zinc/32/76/76/572327676.db2.gz HBOJDAQEKZWCNN-OTTFEQOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)CC1(O)CCC(C)CC1 ZINC000083502591 572326324 /nfs/dbraw/zinc/32/63/24/572326324.db2.gz HBOJDAQEKZWCNN-CPCZMJQVSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@]1(O)C[C@H](C)CC(C)(C)C1 ZINC000083502594 573533479 /nfs/dbraw/zinc/53/34/79/573533479.db2.gz NFDGJXNMPYPHHI-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@]1(O)C[C@H](C)CC(C)(C)C1 ZINC000083502595 573533531 /nfs/dbraw/zinc/53/35/31/573533531.db2.gz NFDGJXNMPYPHHI-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@]1(O)C[C@@H](C)CC(C)(C)C1 ZINC000083502596 573535857 /nfs/dbraw/zinc/53/58/57/573535857.db2.gz NFDGJXNMPYPHHI-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@]1(O)C[C@@H](C)CC(C)(C)C1 ZINC000083502597 573534214 /nfs/dbraw/zinc/53/42/14/573534214.db2.gz NFDGJXNMPYPHHI-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC1(O)CCC(CC)CC1 ZINC000083502639 572326296 /nfs/dbraw/zinc/32/62/96/572326296.db2.gz RIMKREUCLWVAIF-UHFFFAOYSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC1(O)CCC(CC)CC1 ZINC000083502640 572327045 /nfs/dbraw/zinc/32/70/45/572327045.db2.gz RWPPVAGIHSCPOC-UHFFFAOYSA-N 0 0 198.350 3.898 10 0 AHAERN CCC1CCC(O)(CCC(C)C)CC1 ZINC000083502651 572327401 /nfs/dbraw/zinc/32/74/01/572327401.db2.gz GSLVDCGIVUXRRA-UHFFFAOYSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)CC1(O)CCC(CC)CC1 ZINC000083502654 572327501 /nfs/dbraw/zinc/32/75/01/572327501.db2.gz YALKEOFLTKQNKX-HIFPTAJRSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)CC1(O)CCC(CC)CC1 ZINC000083502655 572327634 /nfs/dbraw/zinc/32/76/34/572327634.db2.gz YALKEOFLTKQNKX-PNESKVBLSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@]1(O)CCCC[C@@H]1C ZINC000083502667 572326455 /nfs/dbraw/zinc/32/64/55/572326455.db2.gz RWAJKIXZHMBZMX-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@@]1(O)CCCC[C@@H]1C ZINC000083502668 572326377 /nfs/dbraw/zinc/32/63/77/572326377.db2.gz RWAJKIXZHMBZMX-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@]1(O)CCCC[C@H]1C ZINC000083502669 572326128 /nfs/dbraw/zinc/32/61/28/572326128.db2.gz RWAJKIXZHMBZMX-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@@]1(O)CCCC[C@H]1C ZINC000083502670 572327606 /nfs/dbraw/zinc/32/76/06/572327606.db2.gz RWAJKIXZHMBZMX-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN C[C@@H]1CCCC[C@]1(O)CCC(C)(C)C ZINC000083502671 573532220 /nfs/dbraw/zinc/53/22/20/573532220.db2.gz ATJFYDQDRVCWDF-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN C[C@H]1CCCC[C@]1(O)CCC(C)(C)C ZINC000083502672 573535902 /nfs/dbraw/zinc/53/59/02/573535902.db2.gz ATJFYDQDRVCWDF-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN C[C@@H]1CCCC[C@@]1(O)CCC(C)(C)C ZINC000083502673 573534223 /nfs/dbraw/zinc/53/42/23/573534223.db2.gz ATJFYDQDRVCWDF-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN C[C@H]1CCCC[C@@]1(O)CCC(C)(C)C ZINC000083502674 573532141 /nfs/dbraw/zinc/53/21/41/573532141.db2.gz ATJFYDQDRVCWDF-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@]1(O)CCCC[C@@H]1C ZINC000083502679 572327199 /nfs/dbraw/zinc/32/71/99/572327199.db2.gz PLZFFTKVBRAWEN-STQMWFEESA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@@]1(O)CCCC[C@@H]1C ZINC000083502680 572326480 /nfs/dbraw/zinc/32/64/80/572326480.db2.gz PLZFFTKVBRAWEN-QWHCGFSZSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@]1(O)CCCC[C@H]1C ZINC000083502681 572327701 /nfs/dbraw/zinc/32/77/01/572327701.db2.gz PLZFFTKVBRAWEN-OLZOCXBDSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@@]1(O)CCCC[C@H]1C ZINC000083502682 572326218 /nfs/dbraw/zinc/32/62/18/572326218.db2.gz PLZFFTKVBRAWEN-CHWSQXEVSA-N 0 0 198.350 3.898 10 0 AHAERN C[C@@H]1CCCC[C@]1(O)CC1CCCC1 ZINC000083502723 573533789 /nfs/dbraw/zinc/53/37/89/573533789.db2.gz ZVPDNHLWLXJKJG-YPMHNXCESA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H]1CCCC[C@]1(O)CC1CCCC1 ZINC000083502724 573535043 /nfs/dbraw/zinc/53/50/43/573535043.db2.gz ZVPDNHLWLXJKJG-AAEUAGOBSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@H]1CCCC[C@@]1(O)CC1CCCC1 ZINC000083502725 573531639 /nfs/dbraw/zinc/53/16/39/573531639.db2.gz ZVPDNHLWLXJKJG-DGCLKSJQSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H]1CCCC[C@@]1(O)CC1CCCC1 ZINC000083502726 573535385 /nfs/dbraw/zinc/53/53/85/573535385.db2.gz ZVPDNHLWLXJKJG-WCQYABFASA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H](C)C[C@]1(O)CCCC[C@@H]1C ZINC000083502736 572326799 /nfs/dbraw/zinc/32/67/99/572326799.db2.gz RFYGQOAXZBLURT-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@@]1(O)CCCC[C@@H]1C ZINC000083502738 572326922 /nfs/dbraw/zinc/32/69/22/572326922.db2.gz RFYGQOAXZBLURT-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC1(O)CCCCCC1 ZINC000083502804 572327347 /nfs/dbraw/zinc/32/73/47/572327347.db2.gz LLSGHSHZKUFUNU-UHFFFAOYSA-N 0 0 184.323 3.652 10 0 AHAERN CC(C)(C)CCC1(O)CCCCCC1 ZINC000083502805 573534434 /nfs/dbraw/zinc/53/44/34/573534434.db2.gz GSLOXYZEHPZGEV-UHFFFAOYSA-N 0 0 198.350 3.898 10 0 AHAERN CC(C)CCC1(O)CCCCCC1 ZINC000083502816 573535158 /nfs/dbraw/zinc/53/51/58/573535158.db2.gz IHACPZIAGWBBCK-UHFFFAOYSA-N 0 0 184.323 3.508 10 0 AHAERN OC1(CC2CCCC2)CCCCCC1 ZINC000083502818 573534844 /nfs/dbraw/zinc/53/48/44/573534844.db2.gz MFWQFVVLHFNOSN-UHFFFAOYSA-N 0 0 196.334 3.652 10 0 AHAERN CC[C@@H](C)CC1(O)CCCCCC1 ZINC000083502819 573536252 /nfs/dbraw/zinc/53/62/52/573536252.db2.gz VLESGIHMYFTSEP-LLVKDONJSA-N 0 0 184.323 3.508 10 0 AHAERN CC[C@H](C)CC1(O)CCCCCC1 ZINC000083502820 573534452 /nfs/dbraw/zinc/53/44/52/573534452.db2.gz VLESGIHMYFTSEP-NSHDSACASA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@@H](C)CC1(O)CCCCCC1 ZINC000083502822 572327366 /nfs/dbraw/zinc/32/73/66/572327366.db2.gz ZOPIOXCOSZWWEZ-GFCCVEGCSA-N 0 0 198.350 3.898 10 0 AHAERN CCC[C@H](C)CC1(O)CCCCCC1 ZINC000083502823 572327247 /nfs/dbraw/zinc/32/72/47/572327247.db2.gz ZOPIOXCOSZWWEZ-LBPRGKRZSA-N 0 0 198.350 3.898 10 0 AHAERN CC[C@@H](C)[C@](C)(O)CCC(C)(C)C ZINC000083503591 572326593 /nfs/dbraw/zinc/32/65/93/572326593.db2.gz UQDQXVLFDGPQQY-ZYHUDNBSSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](C)[C@](C)(O)CCC(C)(C)C ZINC000083503592 572327225 /nfs/dbraw/zinc/32/72/25/572327225.db2.gz UQDQXVLFDGPQQY-CMPLNLGQSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H](C)[C@@](C)(O)CCC(C)(C)C ZINC000083503593 572326853 /nfs/dbraw/zinc/32/68/53/572326853.db2.gz UQDQXVLFDGPQQY-PWSUYJOCSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](C)[C@@](C)(O)CCC(C)(C)C ZINC000083503594 572327695 /nfs/dbraw/zinc/32/76/95/572327695.db2.gz UQDQXVLFDGPQQY-JQWIXIFHSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCC[C@](C)(O)[C@@H](C)CC ZINC000083503599 572327423 /nfs/dbraw/zinc/32/74/23/572327423.db2.gz QYPVFTIEZIBNGF-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCC[C@@](C)(O)[C@@H](C)CC ZINC000083503600 572326327 /nfs/dbraw/zinc/32/63/27/572326327.db2.gz QYPVFTIEZIBNGF-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCC[C@](C)(O)[C@H](C)CC ZINC000083503601 572326817 /nfs/dbraw/zinc/32/68/17/572326817.db2.gz QYPVFTIEZIBNGF-NEPJUHHUSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCC[C@@](C)(O)[C@H](C)CC ZINC000083503602 572326590 /nfs/dbraw/zinc/32/65/90/572326590.db2.gz QYPVFTIEZIBNGF-VXGBXAGGSA-N 0 0 186.339 3.754 10 0 AHAERN CCC[C@H](C)C[C@](C)(O)[C@@H](C)CC ZINC000083503692 572326347 /nfs/dbraw/zinc/32/63/47/572326347.db2.gz VIAAVBQVCKBJRW-SRVKXCTJSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)C[C@@](C)(O)[C@@H](C)CC ZINC000083503694 572327476 /nfs/dbraw/zinc/32/74/76/572327476.db2.gz VIAAVBQVCKBJRW-SDDRHHMPSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@](O)(CCC(C)(C)C)C(C)C ZINC000083503709 572327211 /nfs/dbraw/zinc/32/72/11/572327211.db2.gz QNWAYLHAIJYQKX-GFCCVEGCSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@](O)(CCC(C)(C)C)C(C)C ZINC000083503710 572326780 /nfs/dbraw/zinc/32/67/80/572326780.db2.gz QNWAYLHAIJYQKX-LBPRGKRZSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCC[C@@](O)(CC)C(C)C ZINC000083503713 572326987 /nfs/dbraw/zinc/32/69/87/572326987.db2.gz JFQDVELUHDJLRM-LBPRGKRZSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCC[C@](O)(CC)C(C)C ZINC000083503714 572326493 /nfs/dbraw/zinc/32/64/93/572326493.db2.gz JFQDVELUHDJLRM-GFCCVEGCSA-N 0 0 186.339 3.754 10 0 AHAERN CCC[C@@H](C)C[C@@](O)(CC)C(C)C ZINC000083503761 572326178 /nfs/dbraw/zinc/32/61/78/572326178.db2.gz AIJKURJSXCYBGX-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)C[C@@](O)(CC)C(C)C ZINC000083503762 572326628 /nfs/dbraw/zinc/32/66/28/572326628.db2.gz AIJKURJSXCYBGX-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](C)C[C@](O)(CC)C(C)C ZINC000083503763 572326950 /nfs/dbraw/zinc/32/69/50/572326950.db2.gz AIJKURJSXCYBGX-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)C[C@](O)(CC)C(C)C ZINC000083503764 572326530 /nfs/dbraw/zinc/32/65/30/572326530.db2.gz AIJKURJSXCYBGX-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCC[C@](C)(O)c1cccs1 ZINC000083504164 572327043 /nfs/dbraw/zinc/32/70/43/572327043.db2.gz SJGYKEQEKIBXGZ-NSHDSACASA-N 0 0 198.331 3.536 10 0 AHAERN CCCCC[C@@](C)(O)c1cccs1 ZINC000083504165 572326514 /nfs/dbraw/zinc/32/65/14/572326514.db2.gz SJGYKEQEKIBXGZ-LLVKDONJSA-N 0 0 198.331 3.536 10 0 AHAERN CCCCCC[C@H](O)c1ccc(C)o1 ZINC000083504553 572326807 /nfs/dbraw/zinc/32/68/07/572326807.db2.gz OOAFCJCDQKYPSR-NSHDSACASA-N 0 0 196.290 3.592 10 0 AHAERN CCCCCC[C@@H](O)c1ccc(C)o1 ZINC000083504554 572327180 /nfs/dbraw/zinc/32/71/80/572327180.db2.gz OOAFCJCDQKYPSR-LLVKDONJSA-N 0 0 196.290 3.592 10 0 AHAERN CC[C@@H](C)C[C@H](O)c1sccc1C ZINC000083504820 572326734 /nfs/dbraw/zinc/32/67/34/572326734.db2.gz JHAXWOMXIDKTOI-SCZZXKLOSA-N 0 0 198.331 3.526 10 0 AHAERN CC[C@H](C)C[C@H](O)c1sccc1C ZINC000083504821 572327660 /nfs/dbraw/zinc/32/76/60/572327660.db2.gz JHAXWOMXIDKTOI-WPRPVWTQSA-N 0 0 198.331 3.526 10 0 AHAERN CC[C@@H](C)C[C@@H](O)c1sccc1C ZINC000083504822 572327405 /nfs/dbraw/zinc/32/74/05/572327405.db2.gz JHAXWOMXIDKTOI-PSASIEDQSA-N 0 0 198.331 3.526 10 0 AHAERN CC[C@H](C)C[C@@H](O)c1sccc1C ZINC000083504823 572326737 /nfs/dbraw/zinc/32/67/37/572326737.db2.gz JHAXWOMXIDKTOI-WCBMZHEXSA-N 0 0 198.331 3.526 10 0 AHAERN CC[C@@H](C)C[C@H](O)c1ccc(C)s1 ZINC000083504876 572327215 /nfs/dbraw/zinc/32/72/15/572327215.db2.gz JAQHIYUCHGOPAX-SCZZXKLOSA-N 0 0 198.331 3.526 10 0 AHAERN CC[C@H](C)C[C@H](O)c1ccc(C)s1 ZINC000083504877 572326266 /nfs/dbraw/zinc/32/62/66/572326266.db2.gz JAQHIYUCHGOPAX-WPRPVWTQSA-N 0 0 198.331 3.526 10 0 AHAERN CC[C@@H](C)C[C@@H](O)c1ccc(C)s1 ZINC000083504878 572326170 /nfs/dbraw/zinc/32/61/70/572326170.db2.gz JAQHIYUCHGOPAX-PSASIEDQSA-N 0 0 198.331 3.526 10 0 AHAERN CC[C@H](C)C[C@@H](O)c1ccc(C)s1 ZINC000083504879 572326316 /nfs/dbraw/zinc/32/63/16/572326316.db2.gz JAQHIYUCHGOPAX-WCBMZHEXSA-N 0 0 198.331 3.526 10 0 AHAERN CCC(CC)[C@H](O)CCC(C)(C)C ZINC000083504894 572327252 /nfs/dbraw/zinc/32/72/52/572327252.db2.gz IOYDAODZNNDOMM-LLVKDONJSA-N 0 0 186.339 3.610 10 0 AHAERN CCC(CC)[C@@H](O)CCC(C)(C)C ZINC000083504895 572326415 /nfs/dbraw/zinc/32/64/15/572326415.db2.gz IOYDAODZNNDOMM-NSHDSACASA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCC[C@H](O)C(CC)CC ZINC000083504898 572326566 /nfs/dbraw/zinc/32/65/66/572326566.db2.gz NLBBKBIHDFRCSK-LBPRGKRZSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCC[C@@H](O)C(CC)CC ZINC000083504899 572326389 /nfs/dbraw/zinc/32/63/89/572326389.db2.gz NLBBKBIHDFRCSK-GFCCVEGCSA-N 0 0 186.339 3.754 10 0 AHAERN CCC(CC)[C@H](O)CC1CCCCC1 ZINC000083504926 572327057 /nfs/dbraw/zinc/32/70/57/572327057.db2.gz WXPJPUVYCRAMTP-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@@H](O)CC1CCCCC1 ZINC000083504927 572327602 /nfs/dbraw/zinc/32/76/02/572327602.db2.gz WXPJPUVYCRAMTP-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)C[C@H](O)C(CC)CC ZINC000083504944 572326338 /nfs/dbraw/zinc/32/63/38/572326338.db2.gz NEWWTWNYMKKPRE-PWSUYJOCSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)C[C@H](O)C(CC)CC ZINC000083504945 572327570 /nfs/dbraw/zinc/32/75/70/572327570.db2.gz NEWWTWNYMKKPRE-JQWIXIFHSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](C)C[C@@H](O)C(CC)CC ZINC000083504946 572327641 /nfs/dbraw/zinc/32/76/41/572327641.db2.gz NEWWTWNYMKKPRE-ZYHUDNBSSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)C[C@@H](O)C(CC)CC ZINC000083504947 572326943 /nfs/dbraw/zinc/32/69/43/572326943.db2.gz NEWWTWNYMKKPRE-CMPLNLGQSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCC[C@H](O)[C@H]1CC=CCC1 ZINC000083505614 572327713 /nfs/dbraw/zinc/32/77/13/572327713.db2.gz ILUFNTLMWNHHSR-STQMWFEESA-N 0 0 196.334 3.674 10 0 AHAERN CCCCCC[C@@H](O)[C@H]1CC=CCC1 ZINC000083505615 572327055 /nfs/dbraw/zinc/32/70/55/572327055.db2.gz ILUFNTLMWNHHSR-QWHCGFSZSA-N 0 0 196.334 3.674 10 0 AHAERN CCCCCC[C@H](O)[C@@H]1CC=CCC1 ZINC000083505616 572327243 /nfs/dbraw/zinc/32/72/43/572327243.db2.gz ILUFNTLMWNHHSR-OLZOCXBDSA-N 0 0 196.334 3.674 10 0 AHAERN CCCCCC[C@@H](O)[C@@H]1CC=CCC1 ZINC000083505617 572327173 /nfs/dbraw/zinc/32/71/73/572327173.db2.gz ILUFNTLMWNHHSR-CHWSQXEVSA-N 0 0 196.334 3.674 10 0 AHAERN CCC[C@H](C)C[C@H](O)[C@H]1CC=CCC1 ZINC000083505671 572327519 /nfs/dbraw/zinc/32/75/19/572327519.db2.gz KGACQJPYYJOJAQ-AVGNSLFASA-N 0 0 196.334 3.530 10 0 AHAERN CCC[C@H](C)C[C@@H](O)[C@H]1CC=CCC1 ZINC000083505673 572326309 /nfs/dbraw/zinc/32/63/09/572326309.db2.gz KGACQJPYYJOJAQ-RWMBFGLXSA-N 0 0 196.334 3.530 10 0 AHAERN CCCC[C@H](O)CC1CCCCC1 ZINC000083505714 572327169 /nfs/dbraw/zinc/32/71/69/572327169.db2.gz GVJKEOWAKMHBGB-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@@H](O)CC1CCCCC1 ZINC000083505715 572960313 /nfs/dbraw/zinc/96/03/13/572960313.db2.gz GVJKEOWAKMHBGB-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@H](O)CC1CCCC1 ZINC000083505876 572326422 /nfs/dbraw/zinc/32/64/22/572326422.db2.gz KHYAWDXMHQOFJA-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@@H](O)CC1CCCC1 ZINC000083505877 572327156 /nfs/dbraw/zinc/32/71/56/572327156.db2.gz KHYAWDXMHQOFJA-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@H](O)C[C@@H](C)CC ZINC000083505878 572327213 /nfs/dbraw/zinc/32/72/13/572327213.db2.gz MEVMUBFIHJVINP-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCC[C@@H](O)C[C@@H](C)CC ZINC000083505879 572326498 /nfs/dbraw/zinc/32/64/98/572326498.db2.gz MEVMUBFIHJVINP-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCC[C@H](O)C[C@H](C)CC ZINC000083505880 572327019 /nfs/dbraw/zinc/32/70/19/572327019.db2.gz MEVMUBFIHJVINP-NEPJUHHUSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCC[C@@H](O)C[C@H](C)CC ZINC000083505881 572326340 /nfs/dbraw/zinc/32/63/40/572326340.db2.gz MEVMUBFIHJVINP-VXGBXAGGSA-N 0 0 186.339 3.754 10 0 AHAERN CCC[C@@H](C)[C@H](O)CCC(C)(C)C ZINC000083505900 572327189 /nfs/dbraw/zinc/32/71/89/572327189.db2.gz XOUPQZJIXXQBKS-GHMZBOCLSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)[C@H](O)CCC(C)(C)C ZINC000083505901 572326931 /nfs/dbraw/zinc/32/69/31/572326931.db2.gz XOUPQZJIXXQBKS-WDEREUQCSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](C)[C@@H](O)CCC(C)(C)C ZINC000083505902 572326605 /nfs/dbraw/zinc/32/66/05/572326605.db2.gz XOUPQZJIXXQBKS-MNOVXSKESA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)[C@@H](O)CCC(C)(C)C ZINC000083505903 572327720 /nfs/dbraw/zinc/32/77/20/572327720.db2.gz XOUPQZJIXXQBKS-QWRGUYRKSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCC[C@H](O)[C@@H](C)CCC ZINC000083505908 572326849 /nfs/dbraw/zinc/32/68/49/572326849.db2.gz SLAMGBNDQLJCFI-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCC[C@@H](O)[C@@H](C)CCC ZINC000083505909 572327040 /nfs/dbraw/zinc/32/70/40/572327040.db2.gz SLAMGBNDQLJCFI-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCC[C@H](O)[C@H](C)CCC ZINC000083505910 572326490 /nfs/dbraw/zinc/32/64/90/572326490.db2.gz SLAMGBNDQLJCFI-NEPJUHHUSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCCC[C@@H](O)[C@H](C)CCC ZINC000083505911 572326332 /nfs/dbraw/zinc/32/63/32/572326332.db2.gz SLAMGBNDQLJCFI-VXGBXAGGSA-N 0 0 186.339 3.754 10 0 AHAERN CCC[C@H](C)C[C@H](O)[C@@H](C)CCC ZINC000083505985 572326648 /nfs/dbraw/zinc/32/66/48/572326648.db2.gz UVUOIGNYRXWJDA-SRVKXCTJSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)C[C@@H](O)[C@@H](C)CCC ZINC000083505987 572327658 /nfs/dbraw/zinc/32/76/58/572327658.db2.gz UVUOIGNYRXWJDA-SDDRHHMPSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCC[C@H](O)CCC(C)(C)C ZINC000083506000 572327063 /nfs/dbraw/zinc/32/70/63/572327063.db2.gz VUKCCZXOWWTGIP-NSHDSACASA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@@H](O)CCC(C)(C)C ZINC000083506001 572327507 /nfs/dbraw/zinc/32/75/07/572327507.db2.gz VUKCCZXOWWTGIP-LLVKDONJSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@H](O)CC1CCCCC1 ZINC000083506022 572326158 /nfs/dbraw/zinc/32/61/58/572326158.db2.gz WZURJDPUYLXLQS-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@H](O)CC1CCCCC1 ZINC000083506023 572327389 /nfs/dbraw/zinc/32/73/89/572327389.db2.gz WZURJDPUYLXLQS-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@H](O)C[C@@H](C)CCC ZINC000083506034 573537418 /nfs/dbraw/zinc/53/74/18/573537418.db2.gz GSWSQKQPIWEREB-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@@H](O)C[C@@H](C)CCC ZINC000083506035 572326896 /nfs/dbraw/zinc/32/68/96/572326896.db2.gz GSWSQKQPIWEREB-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@H](O)C[C@H](C)CCC ZINC000083506036 572326903 /nfs/dbraw/zinc/32/69/03/572326903.db2.gz GSWSQKQPIWEREB-NEPJUHHUSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@@H](O)C[C@H](C)CCC ZINC000083506037 572326681 /nfs/dbraw/zinc/32/66/81/572326681.db2.gz GSWSQKQPIWEREB-VXGBXAGGSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@]1(O)CCC[C@H](CC)C1 ZINC000083506484 572330671 /nfs/dbraw/zinc/33/06/71/572330671.db2.gz XMMPPZOKFRLMJB-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@@]1(O)CCC[C@H](CC)C1 ZINC000083506485 572329031 /nfs/dbraw/zinc/32/90/31/572329031.db2.gz XMMPPZOKFRLMJB-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@]1(O)CCC[C@@H](CC)C1 ZINC000083506486 572329648 /nfs/dbraw/zinc/32/96/48/572329648.db2.gz XMMPPZOKFRLMJB-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@@]1(O)CCC[C@@H](CC)C1 ZINC000083506487 572328913 /nfs/dbraw/zinc/32/89/13/572328913.db2.gz XMMPPZOKFRLMJB-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@]1(O)CCC[C@H](CC)C1 ZINC000083506488 572330627 /nfs/dbraw/zinc/33/06/27/572330627.db2.gz YIJMHGVMQMDJCP-STQMWFEESA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@]1(O)CCC[C@H](CC)C1 ZINC000083506489 572328857 /nfs/dbraw/zinc/32/88/57/572328857.db2.gz YIJMHGVMQMDJCP-QWHCGFSZSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@]1(O)CCC[C@@H](CC)C1 ZINC000083506490 572329654 /nfs/dbraw/zinc/32/96/54/572329654.db2.gz YIJMHGVMQMDJCP-OLZOCXBDSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@]1(O)CCC[C@@H](CC)C1 ZINC000083506491 572330117 /nfs/dbraw/zinc/33/01/17/572330117.db2.gz YIJMHGVMQMDJCP-CHWSQXEVSA-N 0 0 198.350 3.898 10 0 AHAERN CC[C@@H]1CCC[C@](O)(CCC(C)C)C1 ZINC000083506532 572329443 /nfs/dbraw/zinc/32/94/43/572329443.db2.gz CBSAFOBXJLBTGM-OLZOCXBDSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CCC[C@](O)(CCC(C)C)C1 ZINC000083506533 572329351 /nfs/dbraw/zinc/32/93/51/572329351.db2.gz CBSAFOBXJLBTGM-STQMWFEESA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H]1CCC[C@@](O)(CCC(C)C)C1 ZINC000083506534 572328683 /nfs/dbraw/zinc/32/86/83/572328683.db2.gz CBSAFOBXJLBTGM-CHWSQXEVSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CCC[C@@](O)(CCC(C)C)C1 ZINC000083506535 572328467 /nfs/dbraw/zinc/32/84/67/572328467.db2.gz CBSAFOBXJLBTGM-QWHCGFSZSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@@]1(O)CCC[C@@H](CC)C1 ZINC000083506544 572327945 /nfs/dbraw/zinc/32/79/45/572327945.db2.gz MKECECVJMDJERL-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@@]1(O)CCC[C@H](CC)C1 ZINC000083506545 572329342 /nfs/dbraw/zinc/32/93/42/572329342.db2.gz MKECECVJMDJERL-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@]1(O)CCC[C@@H](CC)C1 ZINC000083506546 572328115 /nfs/dbraw/zinc/32/81/15/572328115.db2.gz MKECECVJMDJERL-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@]1(O)CCC[C@H](CC)C1 ZINC000083506547 572329190 /nfs/dbraw/zinc/32/91/90/572329190.db2.gz MKECECVJMDJERL-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@]1(O)CCCC[C@@H]1CC ZINC000083506560 572329124 /nfs/dbraw/zinc/32/91/24/572329124.db2.gz GICXUMDKAHUYOL-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@@]1(O)CCCC[C@@H]1CC ZINC000083506561 572328556 /nfs/dbraw/zinc/32/85/56/572328556.db2.gz GICXUMDKAHUYOL-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@]1(O)CCCC[C@H]1CC ZINC000083506562 572330538 /nfs/dbraw/zinc/33/05/38/572330538.db2.gz GICXUMDKAHUYOL-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@@]1(O)CCCC[C@H]1CC ZINC000083506563 572327996 /nfs/dbraw/zinc/32/79/96/572327996.db2.gz GICXUMDKAHUYOL-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@]1(O)CCCC[C@@H]1CC ZINC000083506564 572329779 /nfs/dbraw/zinc/32/97/79/572329779.db2.gz JZALTBNQRQFLEU-STQMWFEESA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@]1(O)CCCC[C@@H]1CC ZINC000083506565 572328583 /nfs/dbraw/zinc/32/85/83/572328583.db2.gz JZALTBNQRQFLEU-QWHCGFSZSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@]1(O)CCCC[C@H]1CC ZINC000083506566 572328407 /nfs/dbraw/zinc/32/84/07/572328407.db2.gz JZALTBNQRQFLEU-OLZOCXBDSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@]1(O)CCCC[C@H]1CC ZINC000083506567 572329518 /nfs/dbraw/zinc/32/95/18/572329518.db2.gz JZALTBNQRQFLEU-CHWSQXEVSA-N 0 0 198.350 3.898 10 0 AHAERN CC[C@@H]1CCCC[C@]1(O)CCC(C)C ZINC000083506608 572330010 /nfs/dbraw/zinc/33/00/10/572330010.db2.gz PCFVFTZNQPEVRT-OLZOCXBDSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CCCC[C@]1(O)CCC(C)C ZINC000083506609 572329582 /nfs/dbraw/zinc/32/95/82/572329582.db2.gz PCFVFTZNQPEVRT-STQMWFEESA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H]1CCCC[C@@]1(O)CCC(C)C ZINC000083506610 572328416 /nfs/dbraw/zinc/32/84/16/572328416.db2.gz PCFVFTZNQPEVRT-CHWSQXEVSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CCCC[C@@]1(O)CCC(C)C ZINC000083506611 572329217 /nfs/dbraw/zinc/32/92/17/572329217.db2.gz PCFVFTZNQPEVRT-QWHCGFSZSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@@]1(O)CCCC[C@H]1CC ZINC000083506620 572330524 /nfs/dbraw/zinc/33/05/24/572330524.db2.gz VGPFUWMULHXPFE-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@@]1(O)CCCC[C@@H]1CC ZINC000083506621 572328095 /nfs/dbraw/zinc/32/80/95/572328095.db2.gz VGPFUWMULHXPFE-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@]1(O)CCCC[C@H]1CC ZINC000083506622 572329799 /nfs/dbraw/zinc/32/97/99/572329799.db2.gz VGPFUWMULHXPFE-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@]1(O)CCCC[C@@H]1CC ZINC000083506623 572329425 /nfs/dbraw/zinc/32/94/25/572329425.db2.gz VGPFUWMULHXPFE-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC1(O)CCC(C)(C)CC1 ZINC000083506636 573537288 /nfs/dbraw/zinc/53/72/88/573537288.db2.gz VMSQVRFZRPFUJR-UHFFFAOYSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC1(O)CCC(C)(C)CC1 ZINC000083506637 572330281 /nfs/dbraw/zinc/33/02/81/572330281.db2.gz IKTGFXWWHDOFTI-UHFFFAOYSA-N 0 0 198.350 3.898 10 0 AHAERN CC(C)CCC1(O)CCC(C)(C)CC1 ZINC000083506648 573537577 /nfs/dbraw/zinc/53/75/77/573537577.db2.gz KTNXIJURJWIMRJ-UHFFFAOYSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)CC1(O)CCC(C)(C)CC1 ZINC000083506651 573537827 /nfs/dbraw/zinc/53/78/27/573537827.db2.gz MIZLGHMNUGMMTE-LLVKDONJSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)CC1(O)CCC(C)(C)CC1 ZINC000083506652 573537357 /nfs/dbraw/zinc/53/73/57/573537357.db2.gz MIZLGHMNUGMMTE-NSHDSACASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@]1(O)CCCC(C)(C)C1 ZINC000083506725 573538542 /nfs/dbraw/zinc/53/85/42/573538542.db2.gz YYIROBLKLLEEAA-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@@]1(O)CCCC(C)(C)C1 ZINC000083506726 573538374 /nfs/dbraw/zinc/53/83/74/573538374.db2.gz YYIROBLKLLEEAA-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@]1(O)CCCC(C)(C)C1 ZINC000083506727 572328091 /nfs/dbraw/zinc/32/80/91/572328091.db2.gz WTGCKKUZWGOMLK-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@]1(O)CCCC(C)(C)C1 ZINC000083506728 572329513 /nfs/dbraw/zinc/32/95/13/572329513.db2.gz WTGCKKUZWGOMLK-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CC(C)CC[C@]1(O)CCCC(C)(C)C1 ZINC000083506749 573538666 /nfs/dbraw/zinc/53/86/66/573538666.db2.gz BNNREIIYKDVWED-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)CC[C@@]1(O)CCCC(C)(C)C1 ZINC000083506750 573537799 /nfs/dbraw/zinc/53/77/99/573537799.db2.gz BNNREIIYKDVWED-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)C[C@]1(O)CCCC(C)(C)C1 ZINC000083506755 573537211 /nfs/dbraw/zinc/53/72/11/573537211.db2.gz ITBNEZYJPRAJOT-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@]1(O)CCCC(C)(C)C1 ZINC000083506756 573537753 /nfs/dbraw/zinc/53/77/53/573537753.db2.gz ITBNEZYJPRAJOT-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)C[C@@]1(O)CCCC(C)(C)C1 ZINC000083506757 573537028 /nfs/dbraw/zinc/53/70/28/573537028.db2.gz ITBNEZYJPRAJOT-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@@]1(O)CCCC(C)(C)C1 ZINC000083506758 573537851 /nfs/dbraw/zinc/53/78/51/573537851.db2.gz ITBNEZYJPRAJOT-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@]1(O)CC[C@H](C)C1 ZINC000083506791 572328154 /nfs/dbraw/zinc/32/81/54/572328154.db2.gz JTIQMOCTNSRJDE-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@@]1(O)CC[C@H](C)C1 ZINC000083506792 572329932 /nfs/dbraw/zinc/32/99/32/572329932.db2.gz JTIQMOCTNSRJDE-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@]1(O)CC[C@@H](C)C1 ZINC000083506793 572328367 /nfs/dbraw/zinc/32/83/67/572328367.db2.gz JTIQMOCTNSRJDE-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@@]1(O)CC[C@@H](C)C1 ZINC000083506794 572330236 /nfs/dbraw/zinc/33/02/36/572330236.db2.gz JTIQMOCTNSRJDE-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@]1(O)CC[C@H](CC)C1 ZINC000083506899 572330316 /nfs/dbraw/zinc/33/03/16/572330316.db2.gz TVYDTJDFYONOAC-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@@]1(O)CC[C@H](CC)C1 ZINC000083506900 572329571 /nfs/dbraw/zinc/32/95/71/572329571.db2.gz TVYDTJDFYONOAC-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@]1(O)CC[C@@H](CC)C1 ZINC000083506901 572329257 /nfs/dbraw/zinc/32/92/57/572329257.db2.gz TVYDTJDFYONOAC-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@@]1(O)CC[C@@H](CC)C1 ZINC000083506902 572328864 /nfs/dbraw/zinc/32/88/64/572328864.db2.gz TVYDTJDFYONOAC-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN CC[C@@H]1CC[C@](O)(CCC(C)(C)C)C1 ZINC000083506903 572329429 /nfs/dbraw/zinc/32/94/29/572329429.db2.gz XRXDJEJRYFMPTA-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CC[C@](O)(CCC(C)(C)C)C1 ZINC000083506904 572330885 /nfs/dbraw/zinc/33/08/85/572330885.db2.gz XRXDJEJRYFMPTA-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H]1CC[C@@](O)(CCC(C)(C)C)C1 ZINC000083506905 572329106 /nfs/dbraw/zinc/32/91/06/572329106.db2.gz XRXDJEJRYFMPTA-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CC[C@@](O)(CCC(C)(C)C)C1 ZINC000083506906 572329829 /nfs/dbraw/zinc/32/98/29/572329829.db2.gz XRXDJEJRYFMPTA-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@]1(O)CC[C@H](CC)C1 ZINC000083506911 572328654 /nfs/dbraw/zinc/32/86/54/572328654.db2.gz VKEBDLAJCUOPGV-STQMWFEESA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@@]1(O)CC[C@H](CC)C1 ZINC000083506912 572328869 /nfs/dbraw/zinc/32/88/69/572328869.db2.gz VKEBDLAJCUOPGV-QWHCGFSZSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@]1(O)CC[C@@H](CC)C1 ZINC000083506913 572327916 /nfs/dbraw/zinc/32/79/16/572327916.db2.gz VKEBDLAJCUOPGV-OLZOCXBDSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@@]1(O)CC[C@@H](CC)C1 ZINC000083506914 572328525 /nfs/dbraw/zinc/32/85/25/572328525.db2.gz VKEBDLAJCUOPGV-CHWSQXEVSA-N 0 0 198.350 3.898 10 0 AHAERN CC[C@@H]1CC[C@](O)(CC2CCCC2)C1 ZINC000083506955 573538531 /nfs/dbraw/zinc/53/85/31/573538531.db2.gz ABJSNNPXGRIVPA-DGCLKSJQSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1CC[C@](O)(CC2CCCC2)C1 ZINC000083506956 573537423 /nfs/dbraw/zinc/53/74/23/573537423.db2.gz ABJSNNPXGRIVPA-WCQYABFASA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@@H]1CC[C@@](O)(CC2CCCC2)C1 ZINC000083506957 573537898 /nfs/dbraw/zinc/53/78/98/573537898.db2.gz ABJSNNPXGRIVPA-YPMHNXCESA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1CC[C@@](O)(CC2CCCC2)C1 ZINC000083506958 573536839 /nfs/dbraw/zinc/53/68/39/573536839.db2.gz ABJSNNPXGRIVPA-AAEUAGOBSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H](C)C[C@]1(O)CC[C@H](CC)C1 ZINC000083506968 572329577 /nfs/dbraw/zinc/32/95/77/572329577.db2.gz SMLONHBFRLWUNB-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@@]1(O)CC[C@H](CC)C1 ZINC000083506970 572329902 /nfs/dbraw/zinc/32/99/02/572329902.db2.gz SMLONHBFRLWUNB-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@]1(O)CCC[C@H](C2CC2)C1 ZINC000083506979 572327965 /nfs/dbraw/zinc/32/79/65/572327965.db2.gz NCBLQGJYCLMCTR-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN CCCC[C@@]1(O)CCC[C@H](C2CC2)C1 ZINC000083506980 572328648 /nfs/dbraw/zinc/32/86/48/572328648.db2.gz NCBLQGJYCLMCTR-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN CCCC[C@]1(O)CCC[C@@H](C2CC2)C1 ZINC000083506981 572329540 /nfs/dbraw/zinc/32/95/40/572329540.db2.gz NCBLQGJYCLMCTR-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN CCCC[C@@]1(O)CCC[C@@H](C2CC2)C1 ZINC000083506982 572330178 /nfs/dbraw/zinc/33/01/78/572330178.db2.gz NCBLQGJYCLMCTR-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN CCCCCC1(O)C[C@@H](C)C[C@H](C)C1 ZINC000083507027 572330150 /nfs/dbraw/zinc/33/01/50/572330150.db2.gz FQAIZLJFDBWUHC-RYUDHWBXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC1(O)C[C@H](C)C[C@@H](C)C1 ZINC000083507028 572331023 /nfs/dbraw/zinc/33/10/23/572331023.db2.gz FQAIZLJFDBWUHC-VXGBXAGGSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)CCC1(O)C[C@@H](C)C[C@H](C)C1 ZINC000083507060 573538075 /nfs/dbraw/zinc/53/80/75/573538075.db2.gz GRUXYELYDXSFHD-RYUDHWBXSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CCC1(O)C[C@H](C)C[C@@H](C)C1 ZINC000083507061 573537173 /nfs/dbraw/zinc/53/71/73/573537173.db2.gz GRUXYELYDXSFHD-VXGBXAGGSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)CC1(O)C[C@@H](C)C[C@H](C)C1 ZINC000083507071 573537982 /nfs/dbraw/zinc/53/79/82/573537982.db2.gz VODGAUXHYMNADT-SRVKXCTJSA-N 0 0 198.350 3.610 10 0 AHAERN CCCCC[C@]1(O)CC[C@H](C)[C@H](C)C1 ZINC000083507086 572328399 /nfs/dbraw/zinc/32/83/99/572328399.db2.gz DVIOCWTVCXKUHE-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@]1(O)CC[C@@H](C)[C@H](C)C1 ZINC000083507088 572329885 /nfs/dbraw/zinc/32/98/85/572329885.db2.gz DVIOCWTVCXKUHE-UPJWGTAASA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)CC[C@]1(O)CC[C@@H](C)[C@@H](C)C1 ZINC000083507132 573537929 /nfs/dbraw/zinc/53/79/29/573537929.db2.gz KYMQLXLZZHJCIA-AGIUHOORSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC[C@]1(O)CC[C@H](C)[C@@H](C)C1 ZINC000083507133 573538584 /nfs/dbraw/zinc/53/85/84/573538584.db2.gz KYMQLXLZZHJCIA-AVGNSLFASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C[C@]1(O)CC[C@H](C)[C@H](C)C1 ZINC000083507143 573537766 /nfs/dbraw/zinc/53/77/66/573537766.db2.gz PUUWSFFSEMEOMD-WUHRBBMRSA-N 0 0 198.350 3.610 10 0 AHAERN CCCCC[C@]1(O)CCC[C@H](C)[C@@H]1C ZINC000083507162 572330842 /nfs/dbraw/zinc/33/08/42/572330842.db2.gz KUBCKWWPQAOGSE-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@]1(O)CCC[C@@H](C)[C@@H]1C ZINC000083507164 572330135 /nfs/dbraw/zinc/33/01/35/572330135.db2.gz KUBCKWWPQAOGSE-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)CC[C@]1(O)CCC[C@@H](C)[C@H]1C ZINC000083507208 573538481 /nfs/dbraw/zinc/53/84/81/573538481.db2.gz GAXCFNMMTUKYAX-JHJVBQTASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC[C@]1(O)CCC[C@H](C)[C@H]1C ZINC000083507209 573538462 /nfs/dbraw/zinc/53/84/62/573538462.db2.gz GAXCFNMMTUKYAX-YNEHKIRRSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C[C@]1(O)CCC[C@H](C)[C@@H]1C ZINC000083507219 573537689 /nfs/dbraw/zinc/53/76/89/573537689.db2.gz IASAZAYCVJYOPI-ZDEQEGDKSA-N 0 0 198.350 3.610 10 0 AHAERN CCCCC[C@]1(O)CC[C@H](C)C[C@@H]1C ZINC000083507238 572329762 /nfs/dbraw/zinc/32/97/62/572329762.db2.gz KPRYSHNEOZRPCZ-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@]1(O)CC[C@@H](C)C[C@@H]1C ZINC000083507240 572328120 /nfs/dbraw/zinc/32/81/20/572328120.db2.gz KPRYSHNEOZRPCZ-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)CC[C@]1(O)CC[C@@H](C)C[C@H]1C ZINC000083507284 573537924 /nfs/dbraw/zinc/53/79/24/573537924.db2.gz GIUJZFSQPNHSON-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC[C@]1(O)CC[C@H](C)C[C@H]1C ZINC000083507285 573537874 /nfs/dbraw/zinc/53/78/74/573537874.db2.gz GIUJZFSQPNHSON-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C[C@]1(O)CC[C@H](C)C[C@@H]1C ZINC000083507295 573537127 /nfs/dbraw/zinc/53/71/27/573537127.db2.gz LXKDXKXZXQRSBZ-ZDEQEGDKSA-N 0 0 198.350 3.610 10 0 AHAERN CCCCC[C@]1(O)C[C@H](C)CC[C@@H]1C ZINC000083507314 572328337 /nfs/dbraw/zinc/32/83/37/572328337.db2.gz QKOCLNVGRCPUFY-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@]1(O)C[C@@H](C)CC[C@@H]1C ZINC000083507316 572330320 /nfs/dbraw/zinc/33/03/20/572330320.db2.gz QKOCLNVGRCPUFY-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)CC[C@]1(O)C[C@H](C)CC[C@@H]1C ZINC000083507358 573537721 /nfs/dbraw/zinc/53/77/21/573537721.db2.gz PYIQBRYJGNLZKI-AGIUHOORSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC[C@]1(O)C[C@@H](C)CC[C@@H]1C ZINC000083507359 573538079 /nfs/dbraw/zinc/53/80/79/573538079.db2.gz PYIQBRYJGNLZKI-AVGNSLFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC[C@]1(O)C[C@H](C)CC[C@H]1C ZINC000083507360 573537013 /nfs/dbraw/zinc/53/70/13/573537013.db2.gz PYIQBRYJGNLZKI-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC[C@]1(O)C[C@@H](C)CC[C@H]1C ZINC000083507361 573538253 /nfs/dbraw/zinc/53/82/53/573538253.db2.gz PYIQBRYJGNLZKI-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C[C@]1(O)C[C@H](C)CC[C@@H]1C ZINC000083507371 573538286 /nfs/dbraw/zinc/53/82/86/573538286.db2.gz LXMOORGRSXSRFM-RNJOBUHISA-N 0 0 198.350 3.610 10 0 AHAERN CCCCCC[C@@](O)(CC)C1CC1 ZINC000083507419 572328659 /nfs/dbraw/zinc/32/86/59/572328659.db2.gz FJUCTTLVDBPRMD-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@](O)(CC)C1CC1 ZINC000083507420 572329293 /nfs/dbraw/zinc/32/92/93/572329293.db2.gz FJUCTTLVDBPRMD-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@]1(O)CCC[C@@H]1C ZINC000083507547 572329068 /nfs/dbraw/zinc/32/90/68/572329068.db2.gz LZKNIAPGYBWFMU-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@@]1(O)CCC[C@@H]1C ZINC000083507548 572328079 /nfs/dbraw/zinc/32/80/79/572328079.db2.gz LZKNIAPGYBWFMU-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@]1(O)CCC[C@H]1C ZINC000083507549 572330697 /nfs/dbraw/zinc/33/06/97/572330697.db2.gz LZKNIAPGYBWFMU-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@@]1(O)CCC[C@H]1C ZINC000083507550 572330936 /nfs/dbraw/zinc/33/09/36/572330936.db2.gz LZKNIAPGYBWFMU-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@]1(O)CCC[C@H](C)CC1 ZINC000083520106 572227505 /nfs/dbraw/zinc/22/75/05/572227505.db2.gz CRYMMAGSRQCHSB-STQMWFEESA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@]1(O)CCC[C@H](C)CC1 ZINC000083520110 572229801 /nfs/dbraw/zinc/22/98/01/572229801.db2.gz CRYMMAGSRQCHSB-QWHCGFSZSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@]1(O)CCC[C@@H](C)CC1 ZINC000083520115 572228177 /nfs/dbraw/zinc/22/81/77/572228177.db2.gz CRYMMAGSRQCHSB-OLZOCXBDSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@]1(O)CCC[C@@H](C)CC1 ZINC000083520118 572227479 /nfs/dbraw/zinc/22/74/79/572227479.db2.gz CRYMMAGSRQCHSB-CHWSQXEVSA-N 0 0 198.350 3.898 10 0 AHAERN CCCC[C@]1(O)CCC[C@H](CC)CC1 ZINC000083520379 572228360 /nfs/dbraw/zinc/22/83/60/572228360.db2.gz FBGNRHRCTMHGML-STQMWFEESA-N 0 0 198.350 3.898 10 0 AHAERN CCCC[C@@]1(O)CCC[C@H](CC)CC1 ZINC000083520381 572229338 /nfs/dbraw/zinc/22/93/38/572229338.db2.gz FBGNRHRCTMHGML-QWHCGFSZSA-N 0 0 198.350 3.898 10 0 AHAERN CCCC[C@]1(O)CCC[C@@H](CC)CC1 ZINC000083520386 572229287 /nfs/dbraw/zinc/22/92/87/572229287.db2.gz FBGNRHRCTMHGML-OLZOCXBDSA-N 0 0 198.350 3.898 10 0 AHAERN CCCC[C@@]1(O)CCC[C@@H](CC)CC1 ZINC000083520388 572227681 /nfs/dbraw/zinc/22/76/81/572227681.db2.gz FBGNRHRCTMHGML-CHWSQXEVSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC1=C[C@H](O)CC(C)(C)C1 ZINC000083547177 572329646 /nfs/dbraw/zinc/32/96/46/572329646.db2.gz LPZITBRPAZJNJG-LBPRGKRZSA-N 0 0 196.334 3.674 10 0 AHAERN CCCCCC1=C[C@@H](O)CC(C)(C)C1 ZINC000083547179 572329487 /nfs/dbraw/zinc/32/94/87/572329487.db2.gz LPZITBRPAZJNJG-GFCCVEGCSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@@H](CC)CC1=C[C@H](O)CC1 ZINC000083548840 573546472 /nfs/dbraw/zinc/54/64/72/573546472.db2.gz YKGDWRZZPUKJQP-DGCLKSJQSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@H](CC)CC1=C[C@H](O)CC1 ZINC000083548842 572330417 /nfs/dbraw/zinc/33/04/17/572330417.db2.gz YKGDWRZZPUKJQP-WCQYABFASA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@@H](CC)CC1=C[C@@H](O)CC1 ZINC000083548844 572328072 /nfs/dbraw/zinc/32/80/72/572328072.db2.gz YKGDWRZZPUKJQP-YPMHNXCESA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@H](CC)CC1=C[C@@H](O)CC1 ZINC000083548845 572330105 /nfs/dbraw/zinc/33/01/05/572330105.db2.gz YKGDWRZZPUKJQP-AAEUAGOBSA-N 0 0 196.334 3.674 10 0 AHAERN CCCCCOc1cc(C)cc(C)c1 ZINC000083577062 572341794 /nfs/dbraw/zinc/34/17/94/572341794.db2.gz CYNODBJKXUPCHB-UHFFFAOYSA-N 0 0 192.302 3.872 10 0 AHAERN Cc1cc(C)cc(OC2CCCC2)c1 ZINC000083577069 573556631 /nfs/dbraw/zinc/55/66/31/573556631.db2.gz WCTLRIIFFAQOSZ-UHFFFAOYSA-N 0 0 190.286 3.625 10 0 AHAERN CC[C@@H](C)COc1cc(C)cc(C)c1 ZINC000083577078 573558009 /nfs/dbraw/zinc/55/80/09/573558009.db2.gz WDLMJPICOFJSOH-SNVBAGLBSA-N 0 0 192.302 3.728 10 0 AHAERN CC[C@H](C)COc1cc(C)cc(C)c1 ZINC000083577080 572341184 /nfs/dbraw/zinc/34/11/84/572341184.db2.gz WDLMJPICOFJSOH-JTQLQIEISA-N 0 0 192.302 3.728 10 0 AHAERN CCc1[nH]c2c(c1C)c(C)ccc2C ZINC000083728835 573613097 /nfs/dbraw/zinc/61/30/97/573613097.db2.gz CQDQWMGDNUXEEU-UHFFFAOYSA-N 0 0 187.286 3.656 10 0 AHAERN CCc1[nH]c2c(cccc2Cl)c1C ZINC000083728871 573612794 /nfs/dbraw/zinc/61/27/94/573612794.db2.gz TUQWDZKLEOSNIC-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCc1[nH]c2cc(C)cc(C)c2c1C ZINC000083728930 573613187 /nfs/dbraw/zinc/61/31/87/573613187.db2.gz LXAOETODUWVNCO-UHFFFAOYSA-N 0 0 187.286 3.656 10 0 AHAERN CCC1CCC(C(=O)CC2CC2)CC1 ZINC000083778206 572404445 /nfs/dbraw/zinc/40/44/45/572404445.db2.gz UDBKWGCYJBZKJC-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN CCCCC(=O)C1CCC(CC)CC1 ZINC000083778212 572407138 /nfs/dbraw/zinc/40/71/38/572407138.db2.gz MISIVGUAUXMICS-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC1(C)CCC(C(=O)CC2CC2)CC1 ZINC000083778533 573629645 /nfs/dbraw/zinc/62/96/45/573629645.db2.gz CDZGHFCTEODWJZ-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN CC(C)(C)C(=O)C1CCC(C)(C)CC1 ZINC000083778537 573629430 /nfs/dbraw/zinc/62/94/30/573629430.db2.gz HHAYQZVQUQXLIH-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)CC(=O)C1CCC(C)(C)CC1 ZINC000083778538 573628148 /nfs/dbraw/zinc/62/81/48/573628148.db2.gz BIYBQPIMHGVMPM-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCC(=O)C1CCC(C)(C)CC1 ZINC000083778549 572407753 /nfs/dbraw/zinc/40/77/53/572407753.db2.gz ARLXCZUYDMNYGZ-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)C1CCC(C)(C)CC1 ZINC000083778557 573629820 /nfs/dbraw/zinc/62/98/20/573629820.db2.gz BLJIXHUOJDLKNY-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC[C@H](O)C1CCC(C)(C)CC1 ZINC000083778600 572408077 /nfs/dbraw/zinc/40/80/77/572408077.db2.gz UQBPSOPBHBPPGU-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](O)C1CCC(C)(C)CC1 ZINC000083778601 572409684 /nfs/dbraw/zinc/40/96/84/572409684.db2.gz UQBPSOPBHBPPGU-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C[C@H](O)C1CCC(C)(C)CC1 ZINC000083778640 573629734 /nfs/dbraw/zinc/62/97/34/573629734.db2.gz KNLBXKBXKFFTQN-LBPRGKRZSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](O)C1CCC(C)(C)CC1 ZINC000083778641 573627676 /nfs/dbraw/zinc/62/76/76/573627676.db2.gz KNLBXKBXKFFTQN-GFCCVEGCSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)(C)[C@@H](O)C1CCC(C)(C)CC1 ZINC000083778660 573631212 /nfs/dbraw/zinc/63/12/12/573631212.db2.gz LROSHCAPVPBNFT-NSHDSACASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)(C)[C@H](O)C1CCC(C)(C)CC1 ZINC000083778661 573631164 /nfs/dbraw/zinc/63/11/64/573631164.db2.gz LROSHCAPVPBNFT-LLVKDONJSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)(C)C(=O)C1CCCCCC1 ZINC000083779116 573629816 /nfs/dbraw/zinc/62/98/16/573629816.db2.gz HLVSOPVNCCFZHD-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)CC(=O)C1CCCCCC1 ZINC000083779117 573628728 /nfs/dbraw/zinc/62/87/28/573628728.db2.gz ITFSQRAAQPOPPG-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)CCC(=O)C1CCCCCC1 ZINC000083779122 572407825 /nfs/dbraw/zinc/40/78/25/572407825.db2.gz UNQXAQJTWZPOQF-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC(=O)C1CCCCCC1 ZINC000083779128 572408236 /nfs/dbraw/zinc/40/82/36/572408236.db2.gz FWOHJBINVAIVQU-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN O=C(C1CCCC1)C1CCCCCC1 ZINC000083779149 573628209 /nfs/dbraw/zinc/62/82/09/573628209.db2.gz DJZMNFQZISZMNA-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CC[C@@H](C)CC(=O)C1CCCCCC1 ZINC000083779153 572409312 /nfs/dbraw/zinc/40/93/12/572409312.db2.gz ARHBTVVNQYZDEL-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@H](C)CC(=O)C1CCCCCC1 ZINC000083779154 572409141 /nfs/dbraw/zinc/40/91/41/572409141.db2.gz ARHBTVVNQYZDEL-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN O[C@@H](C1CCCC1)C1CCCCCC1 ZINC000083779184 573630384 /nfs/dbraw/zinc/63/03/84/573630384.db2.gz QYVSTFZTDOPFMD-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CCCCC[C@H](O)C1CCCCCC1 ZINC000083779191 572407749 /nfs/dbraw/zinc/40/77/49/572407749.db2.gz CBWCXJUDVGTLSO-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@H](O)C1CCCCCC1 ZINC000083779192 572410095 /nfs/dbraw/zinc/41/00/95/572410095.db2.gz CBWCXJUDVGTLSO-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CCCC[C@H](O)C1CCCCCC1 ZINC000083779195 572408123 /nfs/dbraw/zinc/40/81/23/572408123.db2.gz GPRTTYIHNAUMGQ-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@@H](O)C1CCCCCC1 ZINC000083779196 572410434 /nfs/dbraw/zinc/41/04/34/572410434.db2.gz GPRTTYIHNAUMGQ-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CC(C)CC[C@H](O)C1CCCCCC1 ZINC000083779227 572408149 /nfs/dbraw/zinc/40/81/49/572408149.db2.gz NLMPHTVTYQJRLM-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)CC[C@@H](O)C1CCCCCC1 ZINC000083779228 572409279 /nfs/dbraw/zinc/40/92/79/572409279.db2.gz NLMPHTVTYQJRLM-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)C[C@H](O)C1CCCCCC1 ZINC000083779229 572408455 /nfs/dbraw/zinc/40/84/55/572408455.db2.gz VCGDXTPHAZLDKG-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@H](O)C1CCCCCC1 ZINC000083779230 572409690 /nfs/dbraw/zinc/40/96/90/572409690.db2.gz VCGDXTPHAZLDKG-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)C[C@@H](O)C1CCCCCC1 ZINC000083779231 572410468 /nfs/dbraw/zinc/41/04/68/572410468.db2.gz VCGDXTPHAZLDKG-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@@H](O)C1CCCCCC1 ZINC000083779232 572408853 /nfs/dbraw/zinc/40/88/53/572408853.db2.gz VCGDXTPHAZLDKG-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC1CCC(C(=O)C2CC2)CC1 ZINC000083780136 572408768 /nfs/dbraw/zinc/40/87/68/572408768.db2.gz TVCAZYIYACHYPD-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN CCCC1CCC(C(=O)CC)CC1 ZINC000083780159 572409035 /nfs/dbraw/zinc/40/90/35/572409035.db2.gz IVZFMNGHAZZMSA-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC1CCC(C(=O)C(C)C)CC1 ZINC000083780162 572409219 /nfs/dbraw/zinc/40/92/19/572409219.db2.gz PYVGQWDCFTUWOK-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(=O)C1CCC(CCC)CC1 ZINC000083780173 572408112 /nfs/dbraw/zinc/40/81/12/572408112.db2.gz OCIHHFPOHRVCLN-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)C(=O)C1CCC(C(C)C)CC1 ZINC000083780261 573630665 /nfs/dbraw/zinc/63/06/65/573630665.db2.gz KHOLHMKICKSNDM-UHFFFAOYSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC(=O)C1CCC(C(C)C)CC1 ZINC000083780270 572409240 /nfs/dbraw/zinc/40/92/40/572409240.db2.gz ZXFDLKGQDXQJCJ-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H](O)C1CCC(CCC)CC1 ZINC000083780308 572408047 /nfs/dbraw/zinc/40/80/47/572408047.db2.gz KVGOSXMPBAVTNV-WXRRBKDZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](O)C1CCC(CCC)CC1 ZINC000083780310 572408494 /nfs/dbraw/zinc/40/84/94/572408494.db2.gz KVGOSXMPBAVTNV-BPCQOVAHSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC1CCC([C@H](O)C(C)C)CC1 ZINC000083780348 572409067 /nfs/dbraw/zinc/40/90/67/572409067.db2.gz PILKHNAFENACCX-WXRRBKDZSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC1CCC([C@@H](O)C(C)C)CC1 ZINC000083780350 572407576 /nfs/dbraw/zinc/40/75/76/572407576.db2.gz PILKHNAFENACCX-BPCQOVAHSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](O)C1CCC(C(C)C)CC1 ZINC000083780454 572410224 /nfs/dbraw/zinc/41/02/24/572410224.db2.gz RFUNTVVQXDNTIS-BPCQOVAHSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H](O)C1CCC(C(C)C)CC1 ZINC000083780458 573628860 /nfs/dbraw/zinc/62/88/60/573628860.db2.gz RFUNTVVQXDNTIS-WXRRBKDZSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC1CCC(C(=N)OCC)CC1 ZINC000083780991 572409660 /nfs/dbraw/zinc/40/96/60/572409660.db2.gz ADWQMYHLFPPHOS-UHFFFAOYSA-N 0 0 197.322 3.607 10 0 AHAERN CCC(=O)C1CCC(C(C)(C)C)CC1 ZINC000083783497 573632970 /nfs/dbraw/zinc/63/29/70/573632970.db2.gz YIAXAPSJFDWPLF-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCC[C@H](C(=O)CC2CC2)C1 ZINC000083783896 572407841 /nfs/dbraw/zinc/40/78/41/572407841.db2.gz SXCKYLAERPRRCR-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC[C@H](C(=O)CC2CC2)C1 ZINC000083783899 572410268 /nfs/dbraw/zinc/41/02/68/572410268.db2.gz SXCKYLAERPRRCR-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC[C@@H](C(=O)CC2CC2)C1 ZINC000083783902 572410477 /nfs/dbraw/zinc/41/04/77/572410477.db2.gz SXCKYLAERPRRCR-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC[C@@H](C(=O)CC2CC2)C1 ZINC000083783907 572410162 /nfs/dbraw/zinc/41/01/62/572410162.db2.gz SXCKYLAERPRRCR-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CCCCC(=O)[C@@H]1CCC[C@H](CC)C1 ZINC000083784019 572408995 /nfs/dbraw/zinc/40/89/95/572408995.db2.gz CTWGOGNQBZTALA-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC(=O)[C@H]1CCC[C@H](CC)C1 ZINC000083784021 572408503 /nfs/dbraw/zinc/40/85/03/572408503.db2.gz CTWGOGNQBZTALA-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC(=O)[C@@H]1CCC[C@@H](CC)C1 ZINC000083784023 572407609 /nfs/dbraw/zinc/40/76/09/572407609.db2.gz CTWGOGNQBZTALA-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC(=O)[C@H]1CCC[C@@H](CC)C1 ZINC000083784025 572409464 /nfs/dbraw/zinc/40/94/64/572409464.db2.gz CTWGOGNQBZTALA-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN C[C@@H]1CC[C@H](C(=O)CCC(C)(C)C)C1 ZINC000083784409 572395308 /nfs/dbraw/zinc/39/53/08/572395308.db2.gz KHTVJHWRUXSDFM-MNOVXSKESA-N 0 0 196.334 3.818 10 0 AHAERN C[C@H]1CC[C@H](C(=O)CCC(C)(C)C)C1 ZINC000083784410 572398054 /nfs/dbraw/zinc/39/80/54/572398054.db2.gz KHTVJHWRUXSDFM-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN C[C@@H]1CC[C@@H](C(=O)CCC(C)(C)C)C1 ZINC000083784412 572397682 /nfs/dbraw/zinc/39/76/82/572397682.db2.gz KHTVJHWRUXSDFM-GHMZBOCLSA-N 0 0 196.334 3.818 10 0 AHAERN C[C@H]1CC[C@@H](C(=O)CCC(C)(C)C)C1 ZINC000083784414 572397268 /nfs/dbraw/zinc/39/72/68/572397268.db2.gz KHTVJHWRUXSDFM-WDEREUQCSA-N 0 0 196.334 3.818 10 0 AHAERN C[C@@H]1CC[C@H](C(=O)CC2CCCC2)C1 ZINC000083784483 573632072 /nfs/dbraw/zinc/63/20/72/573632072.db2.gz OCXCWOVWUVJCMN-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CC[C@H](C(=O)CC2CCCC2)C1 ZINC000083784485 573636303 /nfs/dbraw/zinc/63/63/03/573636303.db2.gz OCXCWOVWUVJCMN-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@@H]1CC[C@@H](C(=O)CC2CCCC2)C1 ZINC000083784487 573632202 /nfs/dbraw/zinc/63/22/02/573632202.db2.gz OCXCWOVWUVJCMN-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CC[C@@H](C(=O)CC2CCCC2)C1 ZINC000083784489 573635282 /nfs/dbraw/zinc/63/52/82/573635282.db2.gz OCXCWOVWUVJCMN-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CCCCCC(=O)[C@@H]1CC[C@H](C)C1 ZINC000083784631 572395322 /nfs/dbraw/zinc/39/53/22/572395322.db2.gz MZEOBPVFOIAMQQ-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCCC(=O)[C@H]1CC[C@H](C)C1 ZINC000083784632 572397741 /nfs/dbraw/zinc/39/77/41/572397741.db2.gz MZEOBPVFOIAMQQ-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCCC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000083784634 572396480 /nfs/dbraw/zinc/39/64/80/572396480.db2.gz MZEOBPVFOIAMQQ-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCCC(=O)[C@H]1CC[C@@H](C)C1 ZINC000083784636 572395014 /nfs/dbraw/zinc/39/50/14/572395014.db2.gz MZEOBPVFOIAMQQ-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN C[C@@H]1CC[C@H](C(=O)C2CCCCC2)C1 ZINC000083784669 573633719 /nfs/dbraw/zinc/63/37/19/573633719.db2.gz YEILJTPWPXUIQH-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CC[C@H](C(=O)C2CCCCC2)C1 ZINC000083784672 573631980 /nfs/dbraw/zinc/63/19/80/573631980.db2.gz YEILJTPWPXUIQH-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@@H]1CC[C@@H](C(=O)C2CCCCC2)C1 ZINC000083784674 573636068 /nfs/dbraw/zinc/63/60/68/573636068.db2.gz YEILJTPWPXUIQH-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CC[C@@H](C(=O)C2CCCCC2)C1 ZINC000083784676 573632785 /nfs/dbraw/zinc/63/27/85/573632785.db2.gz YEILJTPWPXUIQH-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CCCCCCC(=O)[C@@H]1CC[C@H](C)C1 ZINC000083784871 572397570 /nfs/dbraw/zinc/39/75/70/572397570.db2.gz LBUGWQFXULTDOK-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCCC(=O)[C@H]1CC[C@H](C)C1 ZINC000083784873 572395738 /nfs/dbraw/zinc/39/57/38/572395738.db2.gz LBUGWQFXULTDOK-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCCC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000083784875 572397938 /nfs/dbraw/zinc/39/79/38/572397938.db2.gz LBUGWQFXULTDOK-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCCC(=O)[C@H]1CC[C@@H](C)C1 ZINC000083784878 572395943 /nfs/dbraw/zinc/39/59/43/572395943.db2.gz LBUGWQFXULTDOK-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@H](C)CC(=O)[C@@H]1CC[C@H](C)C1 ZINC000083784925 572394148 /nfs/dbraw/zinc/39/41/48/572394148.db2.gz ZOFFZHYZTFMQFB-SDDRHHMPSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@H](C)CC(=O)[C@H]1CC[C@H](C)C1 ZINC000083784929 572393371 /nfs/dbraw/zinc/39/33/71/572393371.db2.gz ZOFFZHYZTFMQFB-SRVKXCTJSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCCC[C@H](O)[C@@H]1CC[C@H](C)C1 ZINC000083786082 572395151 /nfs/dbraw/zinc/39/51/51/572395151.db2.gz JVYGTCSVEITRTN-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@H](O)[C@H]1CC[C@H](C)C1 ZINC000083786086 572397432 /nfs/dbraw/zinc/39/74/32/572397432.db2.gz JVYGTCSVEITRTN-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN C[C@@H]1CC[C@H]([C@H](O)CCC(C)(C)C)C1 ZINC000083786115 572393632 /nfs/dbraw/zinc/39/36/32/572393632.db2.gz CWCNICHOQWLCNU-GRYCIOLGSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1CC[C@@H]([C@H](O)CCC(C)(C)C)C1 ZINC000083786119 572397188 /nfs/dbraw/zinc/39/71/88/572397188.db2.gz CWCNICHOQWLCNU-IJLUTSLNSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)C[C@H](O)[C@@H]1CC[C@H](C)C1 ZINC000083786197 572394993 /nfs/dbraw/zinc/39/49/93/572394993.db2.gz MIQTZXWMCJGYDQ-RVMXOQNASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CC[C@H](C(=O)CCC(C)C)C1 ZINC000083793033 572417081 /nfs/dbraw/zinc/41/70/81/572417081.db2.gz RSUUBXORVBWJDF-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CC[C@H](C(=O)CCC(C)C)C1 ZINC000083793038 572416994 /nfs/dbraw/zinc/41/69/94/572416994.db2.gz RSUUBXORVBWJDF-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CC[C@@H](C(=O)CCC(C)C)C1 ZINC000083793041 572414311 /nfs/dbraw/zinc/41/43/11/572414311.db2.gz RSUUBXORVBWJDF-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CC[C@@H](C(=O)CCC(C)C)C1 ZINC000083793046 572415248 /nfs/dbraw/zinc/41/52/48/572415248.db2.gz RSUUBXORVBWJDF-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCC(=O)[C@@H]1CC[C@H](CC)C1 ZINC000083797727 572414471 /nfs/dbraw/zinc/41/44/71/572414471.db2.gz WVSDXISAYUDQSF-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCC(=O)[C@H]1CC[C@H](CC)C1 ZINC000083797728 572415500 /nfs/dbraw/zinc/41/55/00/572415500.db2.gz WVSDXISAYUDQSF-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCC(=O)[C@@H]1CC[C@@H](CC)C1 ZINC000083797730 572414893 /nfs/dbraw/zinc/41/48/93/572414893.db2.gz WVSDXISAYUDQSF-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCC(=O)[C@H]1CC[C@@H](CC)C1 ZINC000083797732 572415776 /nfs/dbraw/zinc/41/57/76/572415776.db2.gz WVSDXISAYUDQSF-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CCCCCC(=O)[C@@H]1CC[C@H](CC)C1 ZINC000083797765 572417185 /nfs/dbraw/zinc/41/71/85/572417185.db2.gz MWTNPKVEDBDPEX-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCC(=O)[C@H]1CC[C@H](CC)C1 ZINC000083797767 572415734 /nfs/dbraw/zinc/41/57/34/572415734.db2.gz MWTNPKVEDBDPEX-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCC(=O)[C@@H]1CC[C@@H](CC)C1 ZINC000083797769 572414711 /nfs/dbraw/zinc/41/47/11/572414711.db2.gz MWTNPKVEDBDPEX-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCCC(=O)[C@H]1CC[C@@H](CC)C1 ZINC000083797771 572417356 /nfs/dbraw/zinc/41/73/56/572417356.db2.gz MWTNPKVEDBDPEX-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@@H]1CC[C@H](C(=O)C2CCCC2)C1 ZINC000083797985 573640103 /nfs/dbraw/zinc/64/01/03/573640103.db2.gz NDSKFFFGCXFGQN-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CC[C@H](C(=O)C2CCCC2)C1 ZINC000083797988 573637807 /nfs/dbraw/zinc/63/78/07/573637807.db2.gz NDSKFFFGCXFGQN-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CC[C@@H](C(=O)C2CCCC2)C1 ZINC000083797991 573638591 /nfs/dbraw/zinc/63/85/91/573638591.db2.gz NDSKFFFGCXFGQN-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CC[C@@H](C(=O)C2CCCC2)C1 ZINC000083797994 573638659 /nfs/dbraw/zinc/63/86/59/573638659.db2.gz NDSKFFFGCXFGQN-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H](C)CC(=O)[C@H]1CC[C@@H](CC)C1 ZINC000083798019 572415992 /nfs/dbraw/zinc/41/59/92/572415992.db2.gz JNZIGKNAJMFNPR-TUAOUCFPSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)CC(=O)[C@H]1CC[C@H](CC)C1 ZINC000083798023 572414725 /nfs/dbraw/zinc/41/47/25/572414725.db2.gz JNZIGKNAJMFNPR-SRVKXCTJSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)CC(=O)[C@@H]1CC[C@@H](CC)C1 ZINC000083798028 572416790 /nfs/dbraw/zinc/41/67/90/572416790.db2.gz JNZIGKNAJMFNPR-QJPTWQEYSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)CC(=O)[C@@H]1CC[C@H](CC)C1 ZINC000083798032 572416051 /nfs/dbraw/zinc/41/60/51/572416051.db2.gz JNZIGKNAJMFNPR-SDDRHHMPSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCC[C@H](O)[C@@H]1CC[C@H](CC)C1 ZINC000083798948 572415085 /nfs/dbraw/zinc/41/50/85/572415085.db2.gz GUHUPUJXTOKXQI-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@H](O)[C@H]1CC[C@H](CC)C1 ZINC000083798954 572414652 /nfs/dbraw/zinc/41/46/52/572414652.db2.gz GUHUPUJXTOKXQI-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H]1CC[C@H]([C@H](O)CCC(C)C)C1 ZINC000083799182 572414428 /nfs/dbraw/zinc/41/44/28/572414428.db2.gz KLPYHSPEXALSFI-FRRDWIJNSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CC[C@@H]([C@H](O)CCC(C)C)C1 ZINC000083799188 572415153 /nfs/dbraw/zinc/41/51/53/572415153.db2.gz KLPYHSPEXALSFI-JHJVBQTASA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]1C ZINC000083807000 572420189 /nfs/dbraw/zinc/42/01/89/572420189.db2.gz IPPJVSMXOXEROJ-SDDRHHMPSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC[C@H](CC)CC(=O)[C@H]1C[C@@H]1C ZINC000083807005 572418947 /nfs/dbraw/zinc/41/89/47/572418947.db2.gz IPPJVSMXOXEROJ-SRVKXCTJSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC[C@H](CC)C[C@H](O)[C@@H]1C[C@@H]1C ZINC000083807605 572409587 /nfs/dbraw/zinc/40/95/87/572409587.db2.gz ZECRGPKOBXDKCE-RVMXOQNASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)C[C@@H](C)n1cc[nH]c1=S ZINC000083823546 343624762 /nfs/dbraw/zinc/62/47/62/343624762.db2.gz QBTLNOXFSNSWDN-RKDXNWHRSA-N 0 0 198.335 3.543 10 0 AHAERN CC[C@H](C)C[C@@H](C)n1cc[nH]c1=S ZINC000083823548 343624624 /nfs/dbraw/zinc/62/46/24/343624624.db2.gz QBTLNOXFSNSWDN-DTWKUNHWSA-N 0 0 198.335 3.543 10 0 AHAERN CC[C@@H](C)C[C@H](C)n1cc[nH]c1=S ZINC000083823550 343624551 /nfs/dbraw/zinc/62/45/51/343624551.db2.gz QBTLNOXFSNSWDN-BDAKNGLRSA-N 0 0 198.335 3.543 10 0 AHAERN CC[C@H](C)C[C@H](C)n1cc[nH]c1=S ZINC000083823552 343624565 /nfs/dbraw/zinc/62/45/65/343624565.db2.gz QBTLNOXFSNSWDN-IUCAKERBSA-N 0 0 198.335 3.543 10 0 AHAERN Cc1cccc(Cl)c1NCC(C)C ZINC000083824025 573668673 /nfs/dbraw/zinc/66/86/73/573668673.db2.gz ZROZMTSJPYHHOM-UHFFFAOYSA-N 0 0 197.709 3.716 10 0 AHAERN C[C@@H]1CCC[C@H](C(=O)CC2CCC2)C1 ZINC000083840153 573677497 /nfs/dbraw/zinc/67/74/97/573677497.db2.gz FFUWYZGLONKLEH-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@H](C(=O)CC2CCC2)C1 ZINC000083840155 573675853 /nfs/dbraw/zinc/67/58/53/573675853.db2.gz FFUWYZGLONKLEH-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@@H]1CCC[C@@H](C(=O)CC2CCC2)C1 ZINC000083840158 573675979 /nfs/dbraw/zinc/67/59/79/573675979.db2.gz FFUWYZGLONKLEH-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@@H](C(=O)CC2CCC2)C1 ZINC000083840160 573681035 /nfs/dbraw/zinc/68/10/35/573681035.db2.gz FFUWYZGLONKLEH-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CC1CCC(C(=O)CC2CCC2)CC1 ZINC000083840162 573679819 /nfs/dbraw/zinc/67/98/19/573679819.db2.gz PSBRLEOREKBIEN-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN O=C(CC1CCC1)C1CCCCCC1 ZINC000083840321 573678685 /nfs/dbraw/zinc/67/86/85/573678685.db2.gz YJKWNBSWTLMCEM-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CC[C@@H]1CC[C@H](C(=O)CC2CCC2)C1 ZINC000083840352 572436361 /nfs/dbraw/zinc/43/63/61/572436361.db2.gz ZKKQVYBGGUBDIJ-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CC[C@H](C(=O)CC2CCC2)C1 ZINC000083840353 572436356 /nfs/dbraw/zinc/43/63/56/572436356.db2.gz ZKKQVYBGGUBDIJ-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CC[C@@H](C(=O)CC2CCC2)C1 ZINC000083840354 572434901 /nfs/dbraw/zinc/43/49/01/572434901.db2.gz ZKKQVYBGGUBDIJ-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CC[C@@H](C(=O)CC2CCC2)C1 ZINC000083840356 572433712 /nfs/dbraw/zinc/43/37/12/572433712.db2.gz ZKKQVYBGGUBDIJ-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN O[C@H](CC1CCC1)C1CCCCCC1 ZINC000083840908 573685310 /nfs/dbraw/zinc/68/53/10/573685310.db2.gz OTYVGHPMYNRHCT-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H](CC1CCC1)C1CCCCCC1 ZINC000083840909 573685220 /nfs/dbraw/zinc/68/52/20/573685220.db2.gz OTYVGHPMYNRHCT-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@H]1CCC[C@H](C(=O)CCC2CC2)C1 ZINC000083935691 572462306 /nfs/dbraw/zinc/46/23/06/572462306.db2.gz BXWCSFZSHXZDIC-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@H](C(=O)CCC2CC2)C1 ZINC000083935694 572459307 /nfs/dbraw/zinc/45/93/07/572459307.db2.gz BXWCSFZSHXZDIC-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@@H]1CCC[C@@H](C(=O)CCC2CC2)C1 ZINC000083935698 572459919 /nfs/dbraw/zinc/45/99/19/572459919.db2.gz BXWCSFZSHXZDIC-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@@H](C(=O)CCC2CC2)C1 ZINC000083935701 572460186 /nfs/dbraw/zinc/46/01/86/572460186.db2.gz BXWCSFZSHXZDIC-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CC1CCC(C(=O)CCC2CC2)CC1 ZINC000083935707 572462537 /nfs/dbraw/zinc/46/25/37/572462537.db2.gz YRBRBYPJOAUXPH-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN O=C(CCC1CC1)C1CCCCCC1 ZINC000083936019 572458936 /nfs/dbraw/zinc/45/89/36/572458936.db2.gz QFBODCOTTUOVAE-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CC[C@@H]1CC[C@H](C(=O)CCC2CC2)C1 ZINC000083936052 572450118 /nfs/dbraw/zinc/45/01/18/572450118.db2.gz ITSGLVLERCNFHZ-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CC[C@H](C(=O)CCC2CC2)C1 ZINC000083936053 572449715 /nfs/dbraw/zinc/44/97/15/572449715.db2.gz ITSGLVLERCNFHZ-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CC[C@@H](C(=O)CCC2CC2)C1 ZINC000083936057 572447750 /nfs/dbraw/zinc/44/77/50/572447750.db2.gz ITSGLVLERCNFHZ-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CC[C@@H](C(=O)CCC2CC2)C1 ZINC000083936058 572448490 /nfs/dbraw/zinc/44/84/90/572448490.db2.gz ITSGLVLERCNFHZ-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN O[C@H](CCC1CC1)C1CCCCCC1 ZINC000083936899 572450740 /nfs/dbraw/zinc/45/07/40/572450740.db2.gz OCGGQRYWOZAVPU-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN O[C@@H](CCC1CC1)C1CCCCCC1 ZINC000083936904 572451334 /nfs/dbraw/zinc/45/13/34/572451334.db2.gz OCGGQRYWOZAVPU-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@H]1CCCCC[C@@H]1n1cccc1 ZINC000083949711 573710056 /nfs/dbraw/zinc/71/00/56/573710056.db2.gz BSCKHDHVMKNTOU-NEPJUHHUSA-N 0 0 177.291 3.629 10 0 AHAERN C[C@H]1CCCCC[C@@H]1n1cccc1 ZINC000083949712 573708227 /nfs/dbraw/zinc/70/82/27/573708227.db2.gz BSCKHDHVMKNTOU-RYUDHWBXSA-N 0 0 177.291 3.629 10 0 AHAERN C[C@@H]1CCCCC[C@H]1n1cccc1 ZINC000083949713 573709514 /nfs/dbraw/zinc/70/95/14/573709514.db2.gz BSCKHDHVMKNTOU-VXGBXAGGSA-N 0 0 177.291 3.629 10 0 AHAERN C[C@H]1CCCCC[C@H]1n1cccc1 ZINC000083949714 573707533 /nfs/dbraw/zinc/70/75/33/573707533.db2.gz BSCKHDHVMKNTOU-NWDGAFQWSA-N 0 0 177.291 3.629 10 0 AHAERN Clc1ccc2[nH]c(C3CC3)cc2c1 ZINC000083982361 573729011 /nfs/dbraw/zinc/72/90/11/573729011.db2.gz UINYICJDOUEYAA-UHFFFAOYSA-N 0 0 191.661 3.699 10 0 AHAERN CC(C)c1cc2cc(Cl)ccc2[nH]1 ZINC000083982885 573731641 /nfs/dbraw/zinc/73/16/41/573731641.db2.gz YYRJXVNEZQLQKS-UHFFFAOYSA-N 0 0 193.677 3.945 10 0 AHAERN CC[C@@H](C)Oc1cc(Cl)ccc1C ZINC000084082809 573770066 /nfs/dbraw/zinc/77/00/66/573770066.db2.gz KWICOWLMWSIKIX-SECBINFHSA-N 0 0 198.693 3.826 10 0 AHAERN CC[C@H](C)Oc1cc(Cl)ccc1C ZINC000084082810 573766783 /nfs/dbraw/zinc/76/67/83/573766783.db2.gz KWICOWLMWSIKIX-VIFPVBQESA-N 0 0 198.693 3.826 10 0 AHAERN CCCCOc1cc(Cl)ccc1C ZINC000084082816 572495488 /nfs/dbraw/zinc/49/54/88/572495488.db2.gz QBXVVRGHNZCXMI-UHFFFAOYSA-N 0 0 198.693 3.827 10 0 AHAERN C/C=C/COc1cc(Cl)ccc1C ZINC000084082820 573772081 /nfs/dbraw/zinc/77/20/81/573772081.db2.gz SNDHVKQVAJHYEW-ONEGZZNKSA-N 0 0 196.677 3.603 10 0 AHAERN Cc1ccc(Cl)cc1OCC(C)C ZINC000084082841 573771606 /nfs/dbraw/zinc/77/16/06/573771606.db2.gz ILSYSGAIDBEXHY-UHFFFAOYSA-N 0 0 198.693 3.683 10 0 AHAERN Cc1ccc(C(C)C)cc1OC(C)C ZINC000084147766 573779983 /nfs/dbraw/zinc/77/99/83/573779983.db2.gz SVSLHNBAXCDCRA-UHFFFAOYSA-N 0 0 192.302 3.906 10 0 AHAERN CCCOc1cc(C(C)C)ccc1C ZINC000084147768 572504247 /nfs/dbraw/zinc/50/42/47/572504247.db2.gz VWEFEJDDFCTQKO-UHFFFAOYSA-N 0 0 192.302 3.907 10 0 AHAERN CC/C(=C\C1CCCCCC1)[N+](=O)[O-] ZINC000084328584 573830077 /nfs/dbraw/zinc/83/00/77/573830077.db2.gz PAZNPAJIGYFNCA-PKNBQFBNSA-N 0 0 197.278 3.527 10 0 AHAERN CC[C@@H]1CCC[C@](O)(C(C)(C)C)CC1 ZINC000084375404 573861968 /nfs/dbraw/zinc/86/19/68/573861968.db2.gz VCPDOMCFFAHWFE-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CCC[C@](O)(C(C)(C)C)CC1 ZINC000084375405 573861514 /nfs/dbraw/zinc/86/15/14/573861514.db2.gz VCPDOMCFFAHWFE-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H]1CCC[C@@](O)(C(C)(C)C)CC1 ZINC000084375406 573860027 /nfs/dbraw/zinc/86/00/27/573860027.db2.gz VCPDOMCFFAHWFE-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H]1CCC[C@@](O)(C(C)(C)C)CC1 ZINC000084375407 573863231 /nfs/dbraw/zinc/86/32/31/573863231.db2.gz VCPDOMCFFAHWFE-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)[C@@]1(O)CCCC(C)(C)CC1 ZINC000084375412 573861795 /nfs/dbraw/zinc/86/17/95/573861795.db2.gz NQFHVZKZQTVFMX-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)[C@]1(O)CCCC(C)(C)CC1 ZINC000084375413 573859661 /nfs/dbraw/zinc/85/96/61/573859661.db2.gz NQFHVZKZQTVFMX-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H]1CCC[C@](O)(C2CC2)CC1 ZINC000084375420 573860668 /nfs/dbraw/zinc/86/06/68/573860668.db2.gz ONSDVPVVPCGFTH-DGCLKSJQSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H]1CCC[C@](O)(C2CC2)CC1 ZINC000084375421 573862353 /nfs/dbraw/zinc/86/23/53/573862353.db2.gz ONSDVPVVPCGFTH-WCQYABFASA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@@H]1CCC[C@@](O)(C2CC2)CC1 ZINC000084375422 573861363 /nfs/dbraw/zinc/86/13/63/573861363.db2.gz ONSDVPVVPCGFTH-YPMHNXCESA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H]1CCC[C@@](O)(C2CC2)CC1 ZINC000084375423 573862914 /nfs/dbraw/zinc/86/29/14/573862914.db2.gz ONSDVPVVPCGFTH-AAEUAGOBSA-N 0 0 196.334 3.508 10 0 AHAERN CC1C(C)(C)c2ccccc2C1(C)C ZINC000084403396 343635849 /nfs/dbraw/zinc/63/58/49/343635849.db2.gz ZCMKNGQFIXAHLP-UHFFFAOYSA-N 0 0 188.314 3.892 10 0 AHAERN C/C=C(\C)[C@@H](C)C(C)(C)C ZINC000084403465 166059654 /nfs/dbraw/zinc/05/96/54/166059654.db2.gz PSSMIMCIKZSQIG-FCZSHJHJSA-N 0 0 140.270 3.635 10 0 AHAERN C/C=C(\C)[C@H](C)C(C)(C)C ZINC000084403466 166059278 /nfs/dbraw/zinc/05/92/78/166059278.db2.gz PSSMIMCIKZSQIG-FLOXNTQESA-N 0 0 140.270 3.635 10 0 AHAERN CCCCCC(=O)CC(C)(C)C ZINC000084739350 572576147 /nfs/dbraw/zinc/57/61/47/572576147.db2.gz RIZKYKJPFLPAFB-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN CC(C)CC(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000084836998 571676938 /nfs/dbraw/zinc/67/69/38/571676938.db2.gz JUAYIDMDOHIOIF-WOPDTQHZSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)CC(=O)[C@H]1CC[C@H](C)[C@@H](C)C1 ZINC000084836999 571678110 /nfs/dbraw/zinc/67/81/10/571678110.db2.gz JUAYIDMDOHIOIF-SRVKXCTJSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)CC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000084837000 573918041 /nfs/dbraw/zinc/91/80/41/573918041.db2.gz JUAYIDMDOHIOIF-GRYCIOLGSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)c1ccn(C2CCCCC2)n1 ZINC000085020336 573952543 /nfs/dbraw/zinc/95/25/43/573952543.db2.gz AFNWPYFPFAAASA-UHFFFAOYSA-N 0 0 192.306 3.512 10 0 AHAERN CCC(CC)n1ccc(C(C)(C)C)n1 ZINC000085020407 572594716 /nfs/dbraw/zinc/59/47/16/572594716.db2.gz LPZFBWOKFGJCNZ-UHFFFAOYSA-N 0 0 194.322 3.542 10 0 AHAERN CCCC[C@@H](CC)CC(C)(C)CO ZINC000085036017 572622889 /nfs/dbraw/zinc/62/28/89/572622889.db2.gz QJCHQPOCTPUDEJ-LLVKDONJSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC[C@@H](CC)CC1(CO)CCC1 ZINC000085037185 572624146 /nfs/dbraw/zinc/62/41/46/572624146.db2.gz ALNGTPYFNKJFDJ-GFCCVEGCSA-N 0 0 198.350 3.756 10 0 AHAERN CCCC[C@H](CC)CC1(CO)CCC1 ZINC000085037189 572624241 /nfs/dbraw/zinc/62/42/41/572624241.db2.gz ALNGTPYFNKJFDJ-LBPRGKRZSA-N 0 0 198.350 3.756 10 0 AHAERN CCCCCCC1(CO)CCCCC1 ZINC000085037563 572625557 /nfs/dbraw/zinc/62/55/57/572625557.db2.gz DUQUJARWZXLOGJ-UHFFFAOYSA-N 0 0 198.350 3.900 10 0 AHAERN CC(C)(C)CCC1(CO)CCCCC1 ZINC000085037608 572624726 /nfs/dbraw/zinc/62/47/26/572624726.db2.gz GCPYLHZYNRPRBD-UHFFFAOYSA-N 0 0 198.350 3.756 10 0 AHAERN CCC[C@@H](C)CC1(CO)CCCCC1 ZINC000085037675 572623700 /nfs/dbraw/zinc/62/37/00/572623700.db2.gz WTXXRLRKXJFZNN-GFCCVEGCSA-N 0 0 198.350 3.756 10 0 AHAERN CCC[C@H](C)CC1(CO)CCCCC1 ZINC000085037677 572623306 /nfs/dbraw/zinc/62/33/06/572623306.db2.gz WTXXRLRKXJFZNN-LBPRGKRZSA-N 0 0 198.350 3.756 10 0 AHAERN CCCCCCC1(CO)CCCC1 ZINC000085037703 572624171 /nfs/dbraw/zinc/62/41/71/572624171.db2.gz WQDFTEOIBRWJKF-UHFFFAOYSA-N 0 0 184.323 3.510 10 0 AHAERN CCCCCC[C@](C)(CO)CCC ZINC000085037918 572624904 /nfs/dbraw/zinc/62/49/04/572624904.db2.gz QTQPGQZPKLCZCD-GFCCVEGCSA-N 0 0 186.339 3.756 10 0 AHAERN CCCCCC[C@@](C)(CO)CCC ZINC000085037920 572623969 /nfs/dbraw/zinc/62/39/69/572623969.db2.gz QTQPGQZPKLCZCD-LBPRGKRZSA-N 0 0 186.339 3.756 10 0 AHAERN CCC[C@](C)(CO)CCC(C)(C)C ZINC000085038066 572628321 /nfs/dbraw/zinc/62/83/21/572628321.db2.gz SVFMIGKIZGXACC-LBPRGKRZSA-N 0 0 186.339 3.611 10 0 AHAERN CCC[C@@](C)(CO)CCC(C)(C)C ZINC000085038068 572629319 /nfs/dbraw/zinc/62/93/19/572629319.db2.gz SVFMIGKIZGXACC-GFCCVEGCSA-N 0 0 186.339 3.611 10 0 AHAERN CCC[C@@H](C)C[C@](C)(CO)CCC ZINC000085038246 572629508 /nfs/dbraw/zinc/62/95/08/572629508.db2.gz DCNPLGUEZCVKAY-VXGBXAGGSA-N 0 0 186.339 3.611 10 0 AHAERN CCC[C@H](C)C[C@](C)(CO)CCC ZINC000085038247 572627159 /nfs/dbraw/zinc/62/71/59/572627159.db2.gz DCNPLGUEZCVKAY-NWDGAFQWSA-N 0 0 186.339 3.611 10 0 AHAERN CCC[C@@H](C)C[C@@](C)(CO)CCC ZINC000085038249 572629204 /nfs/dbraw/zinc/62/92/04/572629204.db2.gz DCNPLGUEZCVKAY-NEPJUHHUSA-N 0 0 186.339 3.611 10 0 AHAERN CCC[C@H](C)C[C@@](C)(CO)CCC ZINC000085038251 572628521 /nfs/dbraw/zinc/62/85/21/572628521.db2.gz DCNPLGUEZCVKAY-RYUDHWBXSA-N 0 0 186.339 3.611 10 0 AHAERN CCC1(CO)CCC(C(C)(C)C)CC1 ZINC000085038300 573959710 /nfs/dbraw/zinc/95/97/10/573959710.db2.gz URSZWQKHUPNFIV-UHFFFAOYSA-N 0 0 198.350 3.611 10 0 AHAERN CCCC[C@](CC)(CO)CC(C)C ZINC000085038310 572628309 /nfs/dbraw/zinc/62/83/09/572628309.db2.gz QGZKIHXXAKOSOF-LBPRGKRZSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC[C@@](CC)(CO)CC(C)C ZINC000085038311 572627168 /nfs/dbraw/zinc/62/71/68/572627168.db2.gz QGZKIHXXAKOSOF-GFCCVEGCSA-N 0 0 186.339 3.611 10 0 AHAERN CCC(CC)(CO)CCC(C)(C)C ZINC000085038548 572627289 /nfs/dbraw/zinc/62/72/89/572627289.db2.gz QDTYVEPRTLMNBA-UHFFFAOYSA-N 0 0 186.339 3.611 10 0 AHAERN CCC[C@@H](C)CC(CC)(CC)CO ZINC000085038634 572627978 /nfs/dbraw/zinc/62/79/78/572627978.db2.gz GTRWNMHRPOOMAO-LLVKDONJSA-N 0 0 186.339 3.611 10 0 AHAERN CCC[C@H](C)CC(CC)(CC)CO ZINC000085038635 572627544 /nfs/dbraw/zinc/62/75/44/572627544.db2.gz GTRWNMHRPOOMAO-NSHDSACASA-N 0 0 186.339 3.611 10 0 AHAERN CCCCCC[C@H](CO)CC(C)C ZINC000085039765 572629533 /nfs/dbraw/zinc/62/95/33/572629533.db2.gz ZSNIOUDDQIZFHZ-LBPRGKRZSA-N 0 0 186.339 3.611 10 0 AHAERN CCCCCC[C@@H](CO)CC(C)C ZINC000085039767 572629592 /nfs/dbraw/zinc/62/95/92/572629592.db2.gz ZSNIOUDDQIZFHZ-GFCCVEGCSA-N 0 0 186.339 3.611 10 0 AHAERN CCCCNc1c(C)cccc1Cl ZINC000085387899 573003658 /nfs/dbraw/zinc/00/36/58/573003658.db2.gz CTZRORPYBKLUGO-UHFFFAOYSA-N 0 0 197.709 3.860 10 0 AHAERN CC[C@@H](C)Nc1c(C)cccc1Cl ZINC000085387931 573003502 /nfs/dbraw/zinc/00/35/02/573003502.db2.gz BQRXBFOWZCUMMH-SECBINFHSA-N 0 0 197.709 3.859 10 0 AHAERN CC[C@H](C)Nc1c(C)cccc1Cl ZINC000085387934 573006542 /nfs/dbraw/zinc/00/65/42/573006542.db2.gz BQRXBFOWZCUMMH-VIFPVBQESA-N 0 0 197.709 3.859 10 0 AHAERN Cc1cccc(Cl)c1NC1CCC1 ZINC000085388085 573000425 /nfs/dbraw/zinc/00/04/25/573000425.db2.gz PIYXYGOEXNIIOA-UHFFFAOYSA-N 0 0 195.693 3.613 10 0 AHAERN C=COc1ccccc1C(C)(C)C ZINC000085503213 573052738 /nfs/dbraw/zinc/05/27/38/573052738.db2.gz MEXFGDOUBPOLPX-UHFFFAOYSA-N 0 0 176.259 3.506 10 0 AHAERN C=COc1cc(Cl)ccc1Cl ZINC000085503223 573050233 /nfs/dbraw/zinc/05/02/33/573050233.db2.gz HSYLVGQSTVSYIQ-UHFFFAOYSA-N 0 0 189.041 3.516 10 0 AHAERN C=COc1cc(C)ccc1C(C)C ZINC000085503252 573049261 /nfs/dbraw/zinc/04/92/61/573049261.db2.gz YIDSXCPEQQMWSM-UHFFFAOYSA-N 0 0 176.259 3.641 10 0 AHAERN C=COc1ccc(C(C)C)c(C)c1 ZINC000085503255 573049155 /nfs/dbraw/zinc/04/91/55/573049155.db2.gz HHRFJEDODUTQKT-UHFFFAOYSA-N 0 0 176.259 3.641 10 0 AHAERN C=COc1ccc(C(C)(C)CC)cc1 ZINC000085503274 572760401 /nfs/dbraw/zinc/76/04/01/572760401.db2.gz DKBORISRBWPRDE-UHFFFAOYSA-N 0 0 190.286 3.897 10 0 AHAERN C=COc1ccccc1[C@H](C)CC ZINC000085503304 572758536 /nfs/dbraw/zinc/75/85/36/572758536.db2.gz HMTRHQXNTGVITG-SNVBAGLBSA-N 0 0 176.259 3.722 10 0 AHAERN C=COc1ccccc1[C@@H](C)CC ZINC000085503306 572757868 /nfs/dbraw/zinc/75/78/68/572757868.db2.gz HMTRHQXNTGVITG-JTQLQIEISA-N 0 0 176.259 3.722 10 0 AHAERN C=COc1ccc(C)cc1C(C)(C)C ZINC000085503331 573050130 /nfs/dbraw/zinc/05/01/30/573050130.db2.gz ASOFPNOUNDGKOB-UHFFFAOYSA-N 0 0 190.286 3.815 10 0 AHAERN C=COc1cccc(Cl)c1Cl ZINC000085503392 573050580 /nfs/dbraw/zinc/05/05/80/573050580.db2.gz AMJOZIOJGLPDJB-UHFFFAOYSA-N 0 0 189.041 3.516 10 0 AHAERN C=COc1cc(C)ccc1C(C)(C)C ZINC000085503452 573051915 /nfs/dbraw/zinc/05/19/15/573051915.db2.gz GQJCGJXZCKFPKC-UHFFFAOYSA-N 0 0 190.286 3.815 10 0 AHAERN C=COc1cccc(C(C)(C)C)c1 ZINC000085503468 573052137 /nfs/dbraw/zinc/05/21/37/573052137.db2.gz WLWMKTMCFOLDBY-UHFFFAOYSA-N 0 0 176.259 3.506 10 0 AHAERN C=COc1ccc(C(C)(C)C)cc1C ZINC000085503470 573052648 /nfs/dbraw/zinc/05/26/48/573052648.db2.gz UMGMEIWBTSWZQU-UHFFFAOYSA-N 0 0 190.286 3.815 10 0 AHAERN C=COc1cc(Cl)cc(Cl)c1 ZINC000085503542 573051646 /nfs/dbraw/zinc/05/16/46/573051646.db2.gz UKCXBTVQYAGAEH-UHFFFAOYSA-N 0 0 189.041 3.516 10 0 AHAERN C=COc1c(Cl)cccc1Cl ZINC000085503545 573049033 /nfs/dbraw/zinc/04/90/33/573049033.db2.gz DYPHJXUVWXIOKC-UHFFFAOYSA-N 0 0 189.041 3.516 10 0 AHAERN C=COc1ccc(Cl)c(Cl)c1 ZINC000085503572 573049089 /nfs/dbraw/zinc/04/90/89/573049089.db2.gz IPBBTWNCIANFQZ-UHFFFAOYSA-N 0 0 189.041 3.516 10 0 AHAERN CC[C@H](Nc1ccsc1)C(C)C ZINC000085527522 573061802 /nfs/dbraw/zinc/06/18/02/573061802.db2.gz CQIRWDYIRZARFJ-JTQLQIEISA-N 0 0 183.320 3.595 10 0 AHAERN CC[C@@H](Nc1ccsc1)C(C)C ZINC000085527524 573064428 /nfs/dbraw/zinc/06/44/28/573064428.db2.gz CQIRWDYIRZARFJ-SNVBAGLBSA-N 0 0 183.320 3.595 10 0 AHAERN c1cc(NCC2CCCCC2)cs1 ZINC000085527548 573064342 /nfs/dbraw/zinc/06/43/42/573064342.db2.gz MMBLLZATAFVLOB-UHFFFAOYSA-N 0 0 195.331 3.740 10 0 AHAERN C[C@H](Nc1ccsc1)C1CCCC1 ZINC000085527642 573060281 /nfs/dbraw/zinc/06/02/81/573060281.db2.gz HTOKPSHIYSCJPG-VIFPVBQESA-N 0 0 195.331 3.739 10 0 AHAERN C[C@@H](Nc1ccsc1)C1CCCC1 ZINC000085527646 573062044 /nfs/dbraw/zinc/06/20/44/573062044.db2.gz HTOKPSHIYSCJPG-SECBINFHSA-N 0 0 195.331 3.739 10 0 AHAERN CC(C)C[C@@H](C)Nc1ccsc1 ZINC000085527991 573069106 /nfs/dbraw/zinc/06/91/06/573069106.db2.gz LFJVZGXCPPLFFY-SECBINFHSA-N 0 0 183.320 3.595 10 0 AHAERN CC(C)C[C@H](C)Nc1ccsc1 ZINC000085527994 573069201 /nfs/dbraw/zinc/06/92/01/573069201.db2.gz LFJVZGXCPPLFFY-VIFPVBQESA-N 0 0 183.320 3.595 10 0 AHAERN CCC[C@@H](C)CNc1ccsc1 ZINC000085528068 572758417 /nfs/dbraw/zinc/75/84/17/572758417.db2.gz MGURIMIOCRVXKP-SECBINFHSA-N 0 0 183.320 3.596 10 0 AHAERN CCC[C@H](C)CNc1ccsc1 ZINC000085528070 572758379 /nfs/dbraw/zinc/75/83/79/572758379.db2.gz MGURIMIOCRVXKP-VIFPVBQESA-N 0 0 183.320 3.596 10 0 AHAERN CCCC[C@@H](C)Nc1ccsc1 ZINC000085528230 572759140 /nfs/dbraw/zinc/75/91/40/572759140.db2.gz VGTOFWZYIXXTSW-SECBINFHSA-N 0 0 183.320 3.739 10 0 AHAERN CCCC[C@H](C)Nc1ccsc1 ZINC000085528232 572759490 /nfs/dbraw/zinc/75/94/90/572759490.db2.gz VGTOFWZYIXXTSW-VIFPVBQESA-N 0 0 183.320 3.739 10 0 AHAERN C[C@@H]1CCC[C@H](Nc2ccsc2)C1 ZINC000085528360 573069512 /nfs/dbraw/zinc/06/95/12/573069512.db2.gz RKGMJRQYWULBDL-ZJUUUORDSA-N 0 0 195.331 3.739 10 0 AHAERN C[C@H]1CCC[C@H](Nc2ccsc2)C1 ZINC000085528362 573066700 /nfs/dbraw/zinc/06/67/00/573066700.db2.gz RKGMJRQYWULBDL-UWVGGRQHSA-N 0 0 195.331 3.739 10 0 AHAERN C[C@@H]1CCC[C@@H](Nc2ccsc2)C1 ZINC000085528365 573068238 /nfs/dbraw/zinc/06/82/38/573068238.db2.gz RKGMJRQYWULBDL-NXEZZACHSA-N 0 0 195.331 3.739 10 0 AHAERN C[C@H]1CCC[C@@H](Nc2ccsc2)C1 ZINC000085528367 573066986 /nfs/dbraw/zinc/06/69/86/573066986.db2.gz RKGMJRQYWULBDL-VHSXEESVSA-N 0 0 195.331 3.739 10 0 AHAERN CC[C@@H](C)[C@@H](C)Nc1ccsc1 ZINC000085528490 573071336 /nfs/dbraw/zinc/07/13/36/573071336.db2.gz HTOSJOHUOKVJRV-RKDXNWHRSA-N 0 0 183.320 3.595 10 0 AHAERN CC[C@H](C)[C@@H](C)Nc1ccsc1 ZINC000085528492 573070750 /nfs/dbraw/zinc/07/07/50/573070750.db2.gz HTOSJOHUOKVJRV-DTWKUNHWSA-N 0 0 183.320 3.595 10 0 AHAERN CC[C@@H](C)[C@H](C)Nc1ccsc1 ZINC000085528494 573068736 /nfs/dbraw/zinc/06/87/36/573068736.db2.gz HTOSJOHUOKVJRV-BDAKNGLRSA-N 0 0 183.320 3.595 10 0 AHAERN CC[C@H](C)[C@H](C)Nc1ccsc1 ZINC000085528496 573069869 /nfs/dbraw/zinc/06/98/69/573069869.db2.gz HTOSJOHUOKVJRV-IUCAKERBSA-N 0 0 183.320 3.595 10 0 AHAERN CC[C@@H]1CC[C@H](Nc2ccsc2)C1 ZINC000085528559 573066352 /nfs/dbraw/zinc/06/63/52/573066352.db2.gz GPIBJASNZRRWRY-ZJUUUORDSA-N 0 0 195.331 3.739 10 0 AHAERN CC[C@H]1CC[C@H](Nc2ccsc2)C1 ZINC000085528562 573070759 /nfs/dbraw/zinc/07/07/59/573070759.db2.gz GPIBJASNZRRWRY-UWVGGRQHSA-N 0 0 195.331 3.739 10 0 AHAERN CC[C@@H]1CC[C@@H](Nc2ccsc2)C1 ZINC000085528563 573065503 /nfs/dbraw/zinc/06/55/03/573065503.db2.gz GPIBJASNZRRWRY-NXEZZACHSA-N 0 0 195.331 3.739 10 0 AHAERN CC[C@H]1CC[C@@H](Nc2ccsc2)C1 ZINC000085528564 573065571 /nfs/dbraw/zinc/06/55/71/573065571.db2.gz GPIBJASNZRRWRY-VHSXEESVSA-N 0 0 195.331 3.739 10 0 AHAERN c1cc(NC[C@H]2CC=CCC2)cs1 ZINC000085528704 573065701 /nfs/dbraw/zinc/06/57/01/573065701.db2.gz ZQZTZKIYKSWHPU-JTQLQIEISA-N 0 0 193.315 3.516 10 0 AHAERN c1cc(NC[C@@H]2CC=CCC2)cs1 ZINC000085528707 573069658 /nfs/dbraw/zinc/06/96/58/573069658.db2.gz ZQZTZKIYKSWHPU-SNVBAGLBSA-N 0 0 193.315 3.516 10 0 AHAERN CC(C)CC[C@@H](C)Nc1ccsc1 ZINC000085528899 572757471 /nfs/dbraw/zinc/75/74/71/572757471.db2.gz IDJSCPBNWALRDR-SNVBAGLBSA-N 0 0 197.347 3.985 10 0 AHAERN CC(C)CC[C@H](C)Nc1ccsc1 ZINC000085528902 572758171 /nfs/dbraw/zinc/75/81/71/572758171.db2.gz IDJSCPBNWALRDR-JTQLQIEISA-N 0 0 197.347 3.985 10 0 AHAERN CC(C)(C)CCNc1ccsc1 ZINC000085528973 573068507 /nfs/dbraw/zinc/06/85/07/573068507.db2.gz XRAHITYUNRCRSR-UHFFFAOYSA-N 0 0 183.320 3.596 10 0 AHAERN CC1CCC(Nc2ccsc2)CC1 ZINC000085529091 573068203 /nfs/dbraw/zinc/06/82/03/573068203.db2.gz ZTBPYTYVRHOPDU-UHFFFAOYSA-N 0 0 195.331 3.739 10 0 AHAERN C[C@H](Nc1ccsc1)c1ccco1 ZINC000085529110 573066660 /nfs/dbraw/zinc/06/66/60/573066660.db2.gz FZRUXPMXIZSMLA-QMMMGPOBSA-N 0 0 193.271 3.514 10 0 AHAERN C[C@@H](Nc1ccsc1)c1ccco1 ZINC000085529112 573066728 /nfs/dbraw/zinc/06/67/28/573066728.db2.gz FZRUXPMXIZSMLA-MRVPVSSYSA-N 0 0 193.271 3.514 10 0 AHAERN CCC(CC)CNc1ccsc1 ZINC000085529150 572757597 /nfs/dbraw/zinc/75/75/97/572757597.db2.gz KKARREUQZBZNTF-UHFFFAOYSA-N 0 0 183.320 3.596 10 0 AHAERN C[C@@H]1CCCC[C@@H]1Nc1ccsc1 ZINC000085529208 573069883 /nfs/dbraw/zinc/06/98/83/573069883.db2.gz YBCVHIRKPGXCSP-KOLCDFICSA-N 0 0 195.331 3.739 10 0 AHAERN C[C@H]1CCCC[C@@H]1Nc1ccsc1 ZINC000085529209 573068259 /nfs/dbraw/zinc/06/82/59/573068259.db2.gz YBCVHIRKPGXCSP-ONGXEEELSA-N 0 0 195.331 3.739 10 0 AHAERN C[C@@H]1CCCC[C@H]1Nc1ccsc1 ZINC000085529211 573068231 /nfs/dbraw/zinc/06/82/31/573068231.db2.gz YBCVHIRKPGXCSP-MWLCHTKSSA-N 0 0 195.331 3.739 10 0 AHAERN C[C@H]1CCCC[C@H]1Nc1ccsc1 ZINC000085529212 573067581 /nfs/dbraw/zinc/06/75/81/573067581.db2.gz YBCVHIRKPGXCSP-GXSJLCMTSA-N 0 0 195.331 3.739 10 0 AHAERN CCCC(C)(CC)CC ZINC000085530342 560073538 /nfs/dbraw/zinc/07/35/38/560073538.db2.gz CYWROHZCELEGSE-UHFFFAOYSA-N 0 0 128.259 3.613 10 0 biogenic,in-vitro AHAERN Cc1nc2ccsc2c(Cl)c1C ZINC000085535278 573069648 /nfs/dbraw/zinc/06/96/48/573069648.db2.gz AKEOZZUKEHOOKQ-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN CCc1cc2sccc2nc1Cl ZINC000085535427 573069076 /nfs/dbraw/zinc/06/90/76/573069076.db2.gz HLCYSJVWMJVOIC-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN C[C@H](O)[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000085658828 573102482 /nfs/dbraw/zinc/10/24/82/573102482.db2.gz VXHFSMKKBXGRIT-TUAOUCFPSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@H](O)[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000085658831 573102306 /nfs/dbraw/zinc/10/23/06/573102306.db2.gz VXHFSMKKBXGRIT-SRVKXCTJSA-N 0 0 198.350 3.610 10 0 AHAERN CC(=O)[C@H](C)c1ccc(C(C)C)cc1 ZINC000085662187 573104390 /nfs/dbraw/zinc/10/43/90/573104390.db2.gz ZTLCLDMHLIBZEQ-JTQLQIEISA-N 0 0 190.286 3.503 10 0 AHAERN CC(=O)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000085662189 573103399 /nfs/dbraw/zinc/10/33/99/573103399.db2.gz ZTLCLDMHLIBZEQ-SNVBAGLBSA-N 0 0 190.286 3.503 10 0 AHAERN CCC[C@@H]1CCC[C@H](C(C)=O)CC1 ZINC000085662277 573103114 /nfs/dbraw/zinc/10/31/14/573103114.db2.gz XIWRNVRZQDIFOE-NEPJUHHUSA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@H]1CCC[C@H](C(C)=O)CC1 ZINC000085662279 573105156 /nfs/dbraw/zinc/10/51/56/573105156.db2.gz XIWRNVRZQDIFOE-RYUDHWBXSA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@@H]1CCC[C@@H](C(C)=O)CC1 ZINC000085662282 573102497 /nfs/dbraw/zinc/10/24/97/573102497.db2.gz XIWRNVRZQDIFOE-VXGBXAGGSA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@H]1CCC[C@@H](C(C)=O)CC1 ZINC000085662283 573105630 /nfs/dbraw/zinc/10/56/30/573105630.db2.gz XIWRNVRZQDIFOE-NWDGAFQWSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(C)(C)C1CCC(C(C)=O)CC1 ZINC000085662416 573106758 /nfs/dbraw/zinc/10/67/58/573106758.db2.gz QYCGERIBMUTGFY-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CC(=O)[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000085662478 573111650 /nfs/dbraw/zinc/11/16/50/573111650.db2.gz DAYUDBLDBZOXMD-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CC(=O)[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000085662479 573107503 /nfs/dbraw/zinc/10/75/03/573107503.db2.gz DAYUDBLDBZOXMD-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CC(=O)[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000085662481 573111065 /nfs/dbraw/zinc/11/10/65/573111065.db2.gz DAYUDBLDBZOXMD-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC(=O)[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000085662482 573110286 /nfs/dbraw/zinc/11/02/86/573110286.db2.gz DAYUDBLDBZOXMD-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CC(=O)[C@@H](C)c1cccc2ccccc21 ZINC000085662539 573111300 /nfs/dbraw/zinc/11/13/00/573111300.db2.gz SBFKUMZLZQUBST-SNVBAGLBSA-N 0 0 198.265 3.532 10 0 AHAERN CC(=O)[C@H](C)c1cccc2ccccc21 ZINC000085662541 573112493 /nfs/dbraw/zinc/11/24/93/573112493.db2.gz SBFKUMZLZQUBST-JTQLQIEISA-N 0 0 198.265 3.532 10 0 AHAERN Cc1cc(F)cc(NCCC(C)C)c1 ZINC000085729547 573128265 /nfs/dbraw/zinc/12/82/65/573128265.db2.gz JKMDCUAMYBTIOV-UHFFFAOYSA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@@H](C)CNc1cc(C)cc(F)c1 ZINC000085729766 573129448 /nfs/dbraw/zinc/12/94/48/573129448.db2.gz NMNQTQPKQNOFLM-SECBINFHSA-N 0 0 195.281 3.592 10 0 AHAERN CC[C@H](C)CNc1cc(C)cc(F)c1 ZINC000085729770 573127896 /nfs/dbraw/zinc/12/78/96/573127896.db2.gz NMNQTQPKQNOFLM-VIFPVBQESA-N 0 0 195.281 3.592 10 0 AHAERN CCCC[C@@H](CC)CC1(O)CCC1 ZINC000085754538 572798760 /nfs/dbraw/zinc/79/87/60/572798760.db2.gz DZTUKLNDDRLMPR-LLVKDONJSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@H](CC)CC1(O)CCC1 ZINC000085754540 572802410 /nfs/dbraw/zinc/80/24/10/572802410.db2.gz DZTUKLNDDRLMPR-NSHDSACASA-N 0 0 184.323 3.508 10 0 AHAERN Cc1ccc2c(c1C)CCCC2(C)C ZINC000085925372 573874309 /nfs/dbraw/zinc/87/43/09/573874309.db2.gz FXJRXZWVNPHANR-UHFFFAOYSA-N 0 0 188.314 3.917 10 0 AHAERN CCCC1CCC(O)(C=C(C)C)CC1 ZINC000086017967 573231831 /nfs/dbraw/zinc/23/18/31/573231831.db2.gz RLNKQQDKAHCMQH-UHFFFAOYSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)=C[C@]1(O)C[C@H](C)CC(C)(C)C1 ZINC000086017991 573231516 /nfs/dbraw/zinc/23/15/16/573231516.db2.gz LJDADRQKBZUMOL-YPMHNXCESA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)=C[C@]1(O)C[C@@H](C)CC(C)(C)C1 ZINC000086017994 573232953 /nfs/dbraw/zinc/23/29/53/573232953.db2.gz LJDADRQKBZUMOL-AAEUAGOBSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)=C[C@@]1(O)C[C@H](C)CC(C)(C)C1 ZINC000086017996 573233727 /nfs/dbraw/zinc/23/37/27/573233727.db2.gz LJDADRQKBZUMOL-DGCLKSJQSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)=C[C@@]1(O)C[C@@H](C)CC(C)(C)C1 ZINC000086017997 573234547 /nfs/dbraw/zinc/23/45/47/573234547.db2.gz LJDADRQKBZUMOL-WCQYABFASA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)=CC1(O)CCC(C(C)C)CC1 ZINC000086018573 573233292 /nfs/dbraw/zinc/23/32/92/573233292.db2.gz UTIJDBMOGTVART-UHFFFAOYSA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@@H]1CCC[C@](O)(C=C(C)C)CC1 ZINC000086021475 573233105 /nfs/dbraw/zinc/23/31/05/573233105.db2.gz VOLJTQXDQRZTQM-CHWSQXEVSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H]1CCC[C@](O)(C=C(C)C)CC1 ZINC000086021480 573232040 /nfs/dbraw/zinc/23/20/40/573232040.db2.gz VOLJTQXDQRZTQM-QWHCGFSZSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H]1CCC[C@@](O)(C=C(C)C)CC1 ZINC000086021484 573233332 /nfs/dbraw/zinc/23/33/32/573233332.db2.gz VOLJTQXDQRZTQM-OLZOCXBDSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H]1CCC[C@@](O)(C=C(C)C)CC1 ZINC000086021489 573234222 /nfs/dbraw/zinc/23/42/22/573234222.db2.gz VOLJTQXDQRZTQM-STQMWFEESA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)=C[C@]1(O)CCCC(C)(C)CC1 ZINC000086021502 573234697 /nfs/dbraw/zinc/23/46/97/573234697.db2.gz XKSZYOGFXOURSP-ZDUSSCGKSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)=C[C@@]1(O)CCCC(C)(C)CC1 ZINC000086021507 573233503 /nfs/dbraw/zinc/23/35/03/573233503.db2.gz XKSZYOGFXOURSP-CYBMUJFWSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(=O)[C@@H]1CCCC(C)(C)CC1 ZINC000086161587 573275786 /nfs/dbraw/zinc/27/57/86/573275786.db2.gz LNXFYTCUCHTGSX-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)[C@H]1CCCC(C)(C)CC1 ZINC000086161588 573279603 /nfs/dbraw/zinc/27/96/03/573279603.db2.gz LNXFYTCUCHTGSX-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@H](C(=O)CC)c1ccccc1 ZINC000086161595 572882465 /nfs/dbraw/zinc/88/24/65/572882465.db2.gz DFXJCFWGJVFNLH-LBPRGKRZSA-N 0 0 190.286 3.549 10 0 AHAERN CCC[C@@H](C(=O)CC)c1ccccc1 ZINC000086161596 572881290 /nfs/dbraw/zinc/88/12/90/572881290.db2.gz DFXJCFWGJVFNLH-GFCCVEGCSA-N 0 0 190.286 3.549 10 0 AHAERN CCC(=O)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000086161622 573276003 /nfs/dbraw/zinc/27/60/03/573276003.db2.gz SQGBRAFJCYAUQB-MNOVXSKESA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000086161623 573277471 /nfs/dbraw/zinc/27/74/71/573277471.db2.gz SQGBRAFJCYAUQB-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000086161624 573279949 /nfs/dbraw/zinc/27/99/49/573279949.db2.gz SQGBRAFJCYAUQB-GHMZBOCLSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H]1CCCC[C@H]1C(C)(C)C ZINC000086161625 573279588 /nfs/dbraw/zinc/27/95/88/573279588.db2.gz SQGBRAFJCYAUQB-WDEREUQCSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000086161648 573279332 /nfs/dbraw/zinc/27/93/32/573279332.db2.gz OLZZNXHHRIHTCG-IJLUTSLNSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(=O)[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000086161650 573275519 /nfs/dbraw/zinc/27/55/19/573275519.db2.gz OLZZNXHHRIHTCG-QJPTWQEYSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(=O)[C@@H]1CCC[C@H](C(C)C)CC1 ZINC000086161696 573276331 /nfs/dbraw/zinc/27/63/31/573276331.db2.gz ZEJIBCAJOLOMFW-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H]1CCC[C@H](C(C)C)CC1 ZINC000086161697 573275185 /nfs/dbraw/zinc/27/51/85/573275185.db2.gz ZEJIBCAJOLOMFW-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000086161698 573275793 /nfs/dbraw/zinc/27/57/93/573275793.db2.gz ZEJIBCAJOLOMFW-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H]1CCC[C@@H](C(C)C)CC1 ZINC000086161699 573278681 /nfs/dbraw/zinc/27/86/81/573278681.db2.gz ZEJIBCAJOLOMFW-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H]1CCC[C@H](C(=O)CC)CC1 ZINC000086161704 572881471 /nfs/dbraw/zinc/88/14/71/572881471.db2.gz LHSZUTOONAYKGC-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@H]1CCC[C@H](C(=O)CC)CC1 ZINC000086161705 572883194 /nfs/dbraw/zinc/88/31/94/572883194.db2.gz LHSZUTOONAYKGC-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@@H]1CCC[C@@H](C(=O)CC)CC1 ZINC000086161706 572881907 /nfs/dbraw/zinc/88/19/07/572881907.db2.gz LHSZUTOONAYKGC-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@H]1CCC[C@@H](C(=O)CC)CC1 ZINC000086161707 572881194 /nfs/dbraw/zinc/88/11/94/572881194.db2.gz LHSZUTOONAYKGC-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(=O)[C@H]1CCC[C@@H](CC)CC1 ZINC000086161743 573275565 /nfs/dbraw/zinc/27/55/65/573275565.db2.gz RSWGLTGTOUNJDC-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)[C@H]1CCC[C@H](CC)CC1 ZINC000086161744 573275381 /nfs/dbraw/zinc/27/53/81/573275381.db2.gz RSWGLTGTOUNJDC-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)[C@@H]1CCC[C@@H](CC)CC1 ZINC000086161745 573276055 /nfs/dbraw/zinc/27/60/55/573276055.db2.gz RSWGLTGTOUNJDC-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)[C@@H]1CCC[C@H](CC)CC1 ZINC000086161746 573278428 /nfs/dbraw/zinc/27/84/28/573278428.db2.gz RSWGLTGTOUNJDC-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H](O)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000086166202 573281792 /nfs/dbraw/zinc/28/17/92/573281792.db2.gz BZEIBNDDKBPASA-WOPDTQHZSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](O)[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000086166205 573282065 /nfs/dbraw/zinc/28/20/65/573282065.db2.gz BZEIBNDDKBPASA-SRVKXCTJSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](O)[C@@H]1CCC[C@H](C(C)C)CC1 ZINC000086166753 573280312 /nfs/dbraw/zinc/28/03/12/573280312.db2.gz OYVDXYDAWRUXDK-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](O)[C@H]1CCC[C@H](C(C)C)CC1 ZINC000086166757 573280467 /nfs/dbraw/zinc/28/04/67/573280467.db2.gz OYVDXYDAWRUXDK-AVGNSLFASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H]1CCC[C@H]([C@H](O)CC)CC1 ZINC000086166900 572883073 /nfs/dbraw/zinc/88/30/73/572883073.db2.gz YXPLFYXIHIMBHN-FRRDWIJNSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H]1CCC[C@@H]([C@H](O)CC)CC1 ZINC000086166903 572881143 /nfs/dbraw/zinc/88/11/43/572881143.db2.gz YXPLFYXIHIMBHN-JHJVBQTASA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C(=O)[C@@H]1CCCC(C)(C)CC1 ZINC000086167061 573282240 /nfs/dbraw/zinc/28/22/40/573282240.db2.gz OEHGWUMLGGMQHV-LLVKDONJSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C(=O)[C@H]1CCCC(C)(C)CC1 ZINC000086167064 573280283 /nfs/dbraw/zinc/28/02/83/573280283.db2.gz OEHGWUMLGGMQHV-NSHDSACASA-N 0 0 196.334 3.818 10 0 AHAERN CCCCCC[C@@H](C)C(=O)C(C)C ZINC000086167211 573280291 /nfs/dbraw/zinc/28/02/91/573280291.db2.gz AAYPQYAMWBLCLD-LLVKDONJSA-N 0 0 184.323 3.818 10 0 AHAERN CCCCCC[C@H](C)C(=O)C(C)C ZINC000086167213 572884680 /nfs/dbraw/zinc/88/46/80/572884680.db2.gz AAYPQYAMWBLCLD-NSHDSACASA-N 0 0 184.323 3.818 10 0 AHAERN CC(C)C(=O)C1CCCCCCC1 ZINC000086167269 573282118 /nfs/dbraw/zinc/28/21/18/573282118.db2.gz PWWHAJGYSFBBFN-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@@H](C)C[C@@H](CC)C(=O)C(C)C ZINC000086167378 572885542 /nfs/dbraw/zinc/88/55/42/572885542.db2.gz YFZJTQRHBOSVRV-GHMZBOCLSA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@H](C[C@@H](C)CC)C(=O)C(C)C ZINC000086167380 572886967 /nfs/dbraw/zinc/88/69/67/572886967.db2.gz YFZJTQRHBOSVRV-WDEREUQCSA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@@H](C)C[C@H](CC)C(=O)C(C)C ZINC000086167382 572885352 /nfs/dbraw/zinc/88/53/52/572885352.db2.gz YFZJTQRHBOSVRV-MNOVXSKESA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@H](C)C[C@H](CC)C(=O)C(C)C ZINC000086167384 572885820 /nfs/dbraw/zinc/88/58/20/572885820.db2.gz YFZJTQRHBOSVRV-QWRGUYRKSA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@@H]1CCC[C@H](C(=O)C(C)C)CC1 ZINC000086167418 573282283 /nfs/dbraw/zinc/28/22/83/573282283.db2.gz YPAQUINPXXKWMV-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCC[C@H](C(=O)C(C)C)CC1 ZINC000086167421 573281909 /nfs/dbraw/zinc/28/19/09/573281909.db2.gz YPAQUINPXXKWMV-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCC[C@@H](C(=O)C(C)C)CC1 ZINC000086167423 573280406 /nfs/dbraw/zinc/28/04/06/573280406.db2.gz YPAQUINPXXKWMV-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCC[C@@H](C(=O)C(C)C)CC1 ZINC000086167425 573281024 /nfs/dbraw/zinc/28/10/24/573281024.db2.gz YPAQUINPXXKWMV-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCCC[C@@H](C)[C@H](O)C(C)C ZINC000086183520 573288588 /nfs/dbraw/zinc/28/85/88/573288588.db2.gz PCICQCRFVSXYOQ-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCC[C@H](C)[C@H](O)C(C)C ZINC000086183523 572878865 /nfs/dbraw/zinc/87/88/65/572878865.db2.gz PCICQCRFVSXYOQ-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCC[C@@H](C)[C@@H](O)C(C)C ZINC000086183528 572878291 /nfs/dbraw/zinc/87/82/91/572878291.db2.gz PCICQCRFVSXYOQ-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCC[C@H](C)[C@@H](O)C(C)C ZINC000086183530 572877443 /nfs/dbraw/zinc/87/74/43/572877443.db2.gz PCICQCRFVSXYOQ-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H]1CCC[C@H]([C@H](O)C(C)C)CC1 ZINC000086183579 573287092 /nfs/dbraw/zinc/28/70/92/573287092.db2.gz NBWYXMDPPORYEU-FRRDWIJNSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCC[C@@H]([C@H](O)C(C)C)CC1 ZINC000086183587 573287082 /nfs/dbraw/zinc/28/70/82/573287082.db2.gz NBWYXMDPPORYEU-JHJVBQTASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@H](O)[C@@H]1CCCC(C)(C)CC1 ZINC000086183742 573288004 /nfs/dbraw/zinc/28/80/04/573288004.db2.gz RWKQGXDUPLQDBT-NEPJUHHUSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@H](O)[C@@H]1CCCC(C)(C)CC1 ZINC000086183743 573289918 /nfs/dbraw/zinc/28/99/18/573289918.db2.gz RWKQGXDUPLQDBT-VXGBXAGGSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@H](O)[C@H]1CCCC(C)(C)CC1 ZINC000086183744 573287599 /nfs/dbraw/zinc/28/75/99/573287599.db2.gz RWKQGXDUPLQDBT-RYUDHWBXSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@H](O)[C@H]1CCCC(C)(C)CC1 ZINC000086183749 573289996 /nfs/dbraw/zinc/28/99/96/573289996.db2.gz RWKQGXDUPLQDBT-NWDGAFQWSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1C[C@]1(O)CCC1CCCCC1 ZINC000086200775 573306658 /nfs/dbraw/zinc/30/66/58/573306658.db2.gz ALCSIZITVOCRMX-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1C[C@]1(O)CCC1CCCCC1 ZINC000086200777 572889864 /nfs/dbraw/zinc/88/98/64/572889864.db2.gz ALCSIZITVOCRMX-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@@H]1C[C@@]1(O)CCC1CCCCC1 ZINC000086200780 572888035 /nfs/dbraw/zinc/88/80/35/572888035.db2.gz ALCSIZITVOCRMX-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1C[C@@]1(O)CCC1CCCCC1 ZINC000086200782 572889231 /nfs/dbraw/zinc/88/92/31/572889231.db2.gz ALCSIZITVOCRMX-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@@H]1C[C@]1(O)C[C@@H](C)CC(C)(C)C ZINC000086201283 572889537 /nfs/dbraw/zinc/88/95/37/572889537.db2.gz OGOGIERFGBCPJR-DMDPSCGWSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1C[C@@]1(O)C[C@@H](C)CC(C)(C)C ZINC000086201288 572890177 /nfs/dbraw/zinc/89/01/77/572890177.db2.gz OGOGIERFGBCPJR-LOWVWBTDSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1C[C@]1(O)C1CCCCCCC1 ZINC000086201446 573309554 /nfs/dbraw/zinc/30/95/54/573309554.db2.gz CJLGPWZSSJZRFU-DGCLKSJQSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1C[C@]1(O)C1CCCCCCC1 ZINC000086201448 573307979 /nfs/dbraw/zinc/30/79/79/573307979.db2.gz CJLGPWZSSJZRFU-WCQYABFASA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@@H]1C[C@@]1(O)C1CCCCCCC1 ZINC000086201450 573307787 /nfs/dbraw/zinc/30/77/87/573307787.db2.gz CJLGPWZSSJZRFU-YPMHNXCESA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1C[C@@]1(O)C1CCCCCCC1 ZINC000086201451 573308245 /nfs/dbraw/zinc/30/82/45/573308245.db2.gz CJLGPWZSSJZRFU-AAEUAGOBSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@@H]1C[C@]1(O)C[C@@H](C)C(C)(C)C ZINC000086202971 573310727 /nfs/dbraw/zinc/31/07/27/573310727.db2.gz NHQDRTBMVPUWTM-NQBHXWOUSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H]1C[C@@]1(O)C[C@@H](C)C(C)(C)C ZINC000086202974 572887627 /nfs/dbraw/zinc/88/76/27/572887627.db2.gz NHQDRTBMVPUWTM-WZRBSPASSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@H](CC)[C@]1(O)C[C@@H]1CCC ZINC000086203201 572887830 /nfs/dbraw/zinc/88/78/30/572887830.db2.gz OZYUDGGIKHZYDJ-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)[C@@]1(O)C[C@@H]1CCC ZINC000086203205 572888955 /nfs/dbraw/zinc/88/89/55/572888955.db2.gz OZYUDGGIKHZYDJ-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H]1C[C@]1(O)C1CCCCCC1 ZINC000086203622 573314367 /nfs/dbraw/zinc/31/43/67/573314367.db2.gz OFHCACNTSSWKFS-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H]1C[C@]1(O)C1CCCCCC1 ZINC000086203624 573314152 /nfs/dbraw/zinc/31/41/52/573314152.db2.gz OFHCACNTSSWKFS-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@@H]1C[C@@]1(O)C1CCCCCC1 ZINC000086203626 573311530 /nfs/dbraw/zinc/31/15/30/573311530.db2.gz OFHCACNTSSWKFS-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H]1C[C@@]1(O)C1CCCCCC1 ZINC000086203629 573312235 /nfs/dbraw/zinc/31/22/35/573312235.db2.gz OFHCACNTSSWKFS-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@@H]1C[C@]1(O)CC1CCCCC1 ZINC000086203724 572887614 /nfs/dbraw/zinc/88/76/14/572887614.db2.gz UMCYDYAMEDIYRA-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H]1C[C@]1(O)CC1CCCCC1 ZINC000086203725 572890143 /nfs/dbraw/zinc/89/01/43/572890143.db2.gz UMCYDYAMEDIYRA-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@@H]1C[C@@]1(O)CC1CCCCC1 ZINC000086203728 572888904 /nfs/dbraw/zinc/88/89/04/572888904.db2.gz UMCYDYAMEDIYRA-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H]1C[C@@]1(O)CC1CCCCC1 ZINC000086203729 572889429 /nfs/dbraw/zinc/88/94/29/572889429.db2.gz UMCYDYAMEDIYRA-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@@H]1C[C@]1(O)CCC1CCCC1 ZINC000086203879 572889143 /nfs/dbraw/zinc/88/91/43/572889143.db2.gz YJVQGCIWCZJWKC-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H]1C[C@]1(O)CCC1CCCC1 ZINC000086203880 572888137 /nfs/dbraw/zinc/88/81/37/572888137.db2.gz YJVQGCIWCZJWKC-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@@H]1C[C@@]1(O)CCC1CCCC1 ZINC000086203882 572889983 /nfs/dbraw/zinc/88/99/83/572889983.db2.gz YJVQGCIWCZJWKC-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H]1C[C@@]1(O)CCC1CCCC1 ZINC000086203883 572890071 /nfs/dbraw/zinc/89/00/71/572890071.db2.gz YJVQGCIWCZJWKC-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)/C(=C\C1CCCCCC1)CO ZINC000086209411 573311602 /nfs/dbraw/zinc/31/16/02/573311602.db2.gz POAGVOSAMZHLCL-LCYFTJDESA-N 0 0 196.334 3.532 10 0 AHAERN Cc1ccc(C)n1C1C(C)(C)C1(C)C ZINC000086240763 573329516 /nfs/dbraw/zinc/32/95/16/573329516.db2.gz LDYZCXQSTGPRTO-UHFFFAOYSA-N 0 0 191.318 3.712 10 0 AHAERN CCCCC(=O)[C@@H]1CCCC[C@@H]1CC ZINC000086314975 572912736 /nfs/dbraw/zinc/91/27/36/572912736.db2.gz CWZGCLVIRFCTPL-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC(=O)[C@H]1CCCC[C@@H]1CC ZINC000086314976 572912739 /nfs/dbraw/zinc/91/27/39/572912739.db2.gz CWZGCLVIRFCTPL-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC(=O)[C@@H]1CCCC[C@H]1CC ZINC000086314977 572912132 /nfs/dbraw/zinc/91/21/32/572912132.db2.gz CWZGCLVIRFCTPL-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC(=O)[C@H]1CCCC[C@H]1CC ZINC000086314978 572914621 /nfs/dbraw/zinc/91/46/21/572914621.db2.gz CWZGCLVIRFCTPL-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC(=O)C[C@@H](C)CCC ZINC000086314982 572912436 /nfs/dbraw/zinc/91/24/36/572912436.db2.gz MVZHBQMYLKLKMZ-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CCCCC(=O)C[C@H](C)CCC ZINC000086314983 572912305 /nfs/dbraw/zinc/91/23/05/572912305.db2.gz MVZHBQMYLKLKMZ-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN CCCCC(=O)c1cc(C)ccc1F ZINC000086314985 573362461 /nfs/dbraw/zinc/36/24/61/573362461.db2.gz FQHISWAIAUUNOA-UHFFFAOYSA-N 0 0 194.249 3.507 10 0 AHAERN CCCCC(=O)CCC(C)(C)C ZINC000086315011 572914491 /nfs/dbraw/zinc/91/44/91/572914491.db2.gz ZIZKZSBPZLPFHB-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN CCCCC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000086315029 572913683 /nfs/dbraw/zinc/91/36/83/572913683.db2.gz ZWUCALZZERRFSJ-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000086315030 572913784 /nfs/dbraw/zinc/91/37/84/572913784.db2.gz ZWUCALZZERRFSJ-GHMZBOCLSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000086315040 572912827 /nfs/dbraw/zinc/91/28/27/572912827.db2.gz UYJCMNMRWPUPDP-QJPTWQEYSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000086315042 572913435 /nfs/dbraw/zinc/91/34/35/572913435.db2.gz 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CCCC(=O)C[C@H]1CCCC[C@@H]1CC ZINC000086352658 572926739 /nfs/dbraw/zinc/92/67/39/572926739.db2.gz HVTCCDRPIXHJLU-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)C[C@@H]1CCCC[C@H]1CC ZINC000086352660 572926654 /nfs/dbraw/zinc/92/66/54/572926654.db2.gz HVTCCDRPIXHJLU-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)C[C@H]1CCCC[C@H]1CC ZINC000086352662 572927360 /nfs/dbraw/zinc/92/73/60/572927360.db2.gz HVTCCDRPIXHJLU-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)CC1CCC(C)CC1 ZINC000086352671 572926665 /nfs/dbraw/zinc/92/66/65/572926665.db2.gz IDRWHFCVDGFUFA-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000086352672 572927166 /nfs/dbraw/zinc/92/71/66/572927166.db2.gz FAKGIYJKYNQLDU-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000086352675 572926678 /nfs/dbraw/zinc/92/66/78/572926678.db2.gz FAKGIYJKYNQLDU-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000086352676 572925992 /nfs/dbraw/zinc/92/59/92/572925992.db2.gz FAKGIYJKYNQLDU-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000086352678 572926078 /nfs/dbraw/zinc/92/60/78/572926078.db2.gz FAKGIYJKYNQLDU-MNOVXSKESA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)C[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000086352685 572926045 /nfs/dbraw/zinc/92/60/45/572926045.db2.gz XDBFKVJAIJMVIR-QJPTWQEYSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(=O)C[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000086352688 572927697 /nfs/dbraw/zinc/92/76/97/572927697.db2.gz XDBFKVJAIJMVIR-IJLUTSLNSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(=O)C[C@@H]1CCC[C@H](CC)C1 ZINC000086352710 572926573 /nfs/dbraw/zinc/92/65/73/572926573.db2.gz FXSQOJICTDMOSY-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)C[C@H]1CCC[C@H](CC)C1 ZINC000086352712 572926059 /nfs/dbraw/zinc/92/60/59/572926059.db2.gz FXSQOJICTDMOSY-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)C[C@@H]1CCC[C@@H](CC)C1 ZINC000086352714 572927604 /nfs/dbraw/zinc/92/76/04/572927604.db2.gz FXSQOJICTDMOSY-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)C[C@H]1CCC[C@@H](CC)C1 ZINC000086352716 572927546 /nfs/dbraw/zinc/92/75/46/572927546.db2.gz FXSQOJICTDMOSY-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN CC1CCC(CC(=O)C(C)(C)C)CC1 ZINC000086352844 573381699 /nfs/dbraw/zinc/38/16/99/573381699.db2.gz IAWRVRSIXNJSNG-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN C[C@@H]1CCC[C@H](CC(=O)C(C)(C)C)C1 ZINC000086352845 573379776 /nfs/dbraw/zinc/37/97/76/573379776.db2.gz KIUXIYBNBKHTPJ-MNOVXSKESA-N 0 0 196.334 3.818 10 0 AHAERN C[C@H]1CCC[C@H](CC(=O)C(C)(C)C)C1 ZINC000086352847 573379816 /nfs/dbraw/zinc/37/98/16/573379816.db2.gz KIUXIYBNBKHTPJ-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN C[C@@H]1CCC[C@@H](CC(=O)C(C)(C)C)C1 ZINC000086352848 573380560 /nfs/dbraw/zinc/38/05/60/573380560.db2.gz KIUXIYBNBKHTPJ-GHMZBOCLSA-N 0 0 196.334 3.818 10 0 AHAERN C[C@H]1CCC[C@@H](CC(=O)C(C)(C)C)C1 ZINC000086352850 573380510 /nfs/dbraw/zinc/38/05/10/573380510.db2.gz 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CCC(=O)C[C@H]1CCC[C@H](CC)C1 ZINC000086353060 572926762 /nfs/dbraw/zinc/92/67/62/572926762.db2.gz KVYAHVNJDLRRBD-QWRGUYRKSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)C[C@@H]1CCC[C@@H](CC)C1 ZINC000086353061 572926748 /nfs/dbraw/zinc/92/67/48/572926748.db2.gz KVYAHVNJDLRRBD-GHMZBOCLSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)C[C@@H]1CCC[C@H](CC)C1 ZINC000086353062 572927796 /nfs/dbraw/zinc/92/77/96/572927796.db2.gz KVYAHVNJDLRRBD-WDEREUQCSA-N 0 0 182.307 3.572 10 0 AHAERN CCC1CCC(CC(=O)C(C)C)CC1 ZINC000086353119 572927301 /nfs/dbraw/zinc/92/73/01/572927301.db2.gz JFBPMRLSPSYXHR-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C(=O)CC1C[C@@H](C)C[C@H](C)C1 ZINC000086353141 573382737 /nfs/dbraw/zinc/38/27/37/573382737.db2.gz HRZGJLFQZDZEOT-QWRGUYRKSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C(=O)CC1C[C@H](C)C[C@@H](C)C1 ZINC000086353143 573381786 /nfs/dbraw/zinc/38/17/86/573381786.db2.gz HRZGJLFQZDZEOT-GHMZBOCLSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1CC(=O)C(C)C ZINC000086353175 572921431 /nfs/dbraw/zinc/92/14/31/572921431.db2.gz YDMMFFREXZRIBP-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCCC[C@@H]1CC(=O)C(C)C ZINC000086353177 572920735 /nfs/dbraw/zinc/92/07/35/572920735.db2.gz YDMMFFREXZRIBP-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCCC[C@H]1CC(=O)C(C)C ZINC000086353178 572920384 /nfs/dbraw/zinc/92/03/84/572920384.db2.gz YDMMFFREXZRIBP-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCCC[C@H]1CC(=O)C(C)C ZINC000086353180 572921557 /nfs/dbraw/zinc/92/15/57/572921557.db2.gz YDMMFFREXZRIBP-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C(=O)C[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000086353209 573382468 /nfs/dbraw/zinc/38/24/68/573382468.db2.gz KYTQMZYPNPAEAR-GRYCIOLGSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C(=O)C[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000086353211 573379379 /nfs/dbraw/zinc/37/93/79/573379379.db2.gz KYTQMZYPNPAEAR-SDDRHHMPSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H]1CCC[C@H](CC(=O)C(C)C)C1 ZINC000086353231 572921131 /nfs/dbraw/zinc/92/11/31/572921131.db2.gz UKLZUXWRYCGEGH-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCC[C@H](CC(=O)C(C)C)C1 ZINC000086353233 572921570 /nfs/dbraw/zinc/92/15/70/572921570.db2.gz UKLZUXWRYCGEGH-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCC[C@@H](CC(=O)C(C)C)C1 ZINC000086353235 572921283 /nfs/dbraw/zinc/92/12/83/572921283.db2.gz UKLZUXWRYCGEGH-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CCC[C@@H](CC(=O)C(C)C)C1 ZINC000086353237 572920446 /nfs/dbraw/zinc/92/04/46/572920446.db2.gz UKLZUXWRYCGEGH-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H](C(C)=O)C1CCC(CC)CC1 ZINC000086353718 572920027 /nfs/dbraw/zinc/92/00/27/572920027.db2.gz JUZDLAZQUHLHDK-BPCQOVAHSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C(C)=O)C1CCC(CC)CC1 ZINC000086353720 572920308 /nfs/dbraw/zinc/92/03/08/572920308.db2.gz JUZDLAZQUHLHDK-WXRRBKDZSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C(C)=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000086353746 573380070 /nfs/dbraw/zinc/38/00/70/573380070.db2.gz 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3.572 10 0 AHAERN CC[C@H]1CCC(=O)[C@@H](CC2CCC2)C1 ZINC000086355232 573381123 /nfs/dbraw/zinc/38/11/23/573381123.db2.gz XZMYRZDHQJREMA-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC(=O)[C@H](C2CCCC2)C1 ZINC000086355261 573380677 /nfs/dbraw/zinc/38/06/77/573380677.db2.gz MYHBCDBBLRMXTK-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC(=O)[C@H](C2CCCC2)C1 ZINC000086355263 573379386 /nfs/dbraw/zinc/37/93/86/573379386.db2.gz MYHBCDBBLRMXTK-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC(=O)[C@@H](C2CCCC2)C1 ZINC000086355265 573379572 /nfs/dbraw/zinc/37/95/72/573379572.db2.gz MYHBCDBBLRMXTK-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC(=O)[C@@H](C2CCCC2)C1 ZINC000086355267 573382212 /nfs/dbraw/zinc/38/22/12/573382212.db2.gz MYHBCDBBLRMXTK-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC(=O)[C@H](CCC2CC2)C1 ZINC000086355316 572919904 /nfs/dbraw/zinc/91/99/04/572919904.db2.gz FNGVQCHWOSNDSX-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC(=O)[C@H](CCC2CC2)C1 ZINC000086355318 572919795 /nfs/dbraw/zinc/91/97/95/572919795.db2.gz FNGVQCHWOSNDSX-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC(=O)[C@@H](CCC2CC2)C1 ZINC000086355320 572919962 /nfs/dbraw/zinc/91/99/62/572919962.db2.gz FNGVQCHWOSNDSX-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC(=O)[C@@H](CCC2CC2)C1 ZINC000086355322 572920911 /nfs/dbraw/zinc/92/09/11/572920911.db2.gz FNGVQCHWOSNDSX-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN CCC[C@@H]1CCC(=O)[C@H](CC2CC2)C1 ZINC000086355582 572919848 /nfs/dbraw/zinc/91/98/48/572919848.db2.gz ZFKMWUMSHCLZGD-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN CCC[C@H]1CCC(=O)[C@H](CC2CC2)C1 ZINC000086355584 572920898 /nfs/dbraw/zinc/92/08/98/572920898.db2.gz ZFKMWUMSHCLZGD-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN CCC[C@@H]1CCC(=O)[C@@H](CC2CC2)C1 ZINC000086355587 572920986 /nfs/dbraw/zinc/92/09/86/572920986.db2.gz ZFKMWUMSHCLZGD-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN CCC[C@H]1CCC(=O)[C@@H](CC2CC2)C1 ZINC000086355589 572921107 /nfs/dbraw/zinc/92/11/07/572921107.db2.gz ZFKMWUMSHCLZGD-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CCC[C@@H]1CCC(=O)[C@H]([C@@H](C)CC)C1 ZINC000086355599 572920294 /nfs/dbraw/zinc/92/02/94/572920294.db2.gz MCLUDIWLABLVFT-TUAOUCFPSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H]1CCC(=O)[C@@H]([C@@H](C)CC)C1 ZINC000086355603 572920151 /nfs/dbraw/zinc/92/01/51/572920151.db2.gz MCLUDIWLABLVFT-QJPTWQEYSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000086356147 573382948 /nfs/dbraw/zinc/38/29/48/573382948.db2.gz NIPZYEMOMOKMJI-TUAOUCFPSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](C)[C@H]1C[C@H](C(C)C)CCC1=O ZINC000086356151 573380357 /nfs/dbraw/zinc/38/03/57/573380357.db2.gz NIPZYEMOMOKMJI-QJPTWQEYSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)[C@H](C(C)C)C1CCC(C)CC1 ZINC000086356546 573386249 /nfs/dbraw/zinc/38/62/49/573386249.db2.gz LUUATELHCIYLMC-GDKBPFBDSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)[C@@H](C(C)C)C1CCC(C)CC1 ZINC000086356549 573385640 /nfs/dbraw/zinc/38/56/40/573385640.db2.gz LUUATELHCIYLMC-KGPNIALWSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)[C@H](C(C)C)[C@H]1CCC[C@@H](C)C1 ZINC000086356551 573386147 /nfs/dbraw/zinc/38/61/47/573386147.db2.gz GBMCTTCEFYGCLT-WXHSDQCUSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)[C@H](C(C)C)[C@H]1CCC[C@H](C)C1 ZINC000086356552 573385982 /nfs/dbraw/zinc/38/59/82/573385982.db2.gz GBMCTTCEFYGCLT-DRZSPHRISA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)[C@H](C(C)C)[C@@H]1CCC[C@@H](C)C1 ZINC000086356554 573385624 /nfs/dbraw/zinc/38/56/24/573385624.db2.gz GBMCTTCEFYGCLT-RTXFEEFZSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)[C@H](C(C)C)[C@@H]1CCC[C@H](C)C1 ZINC000086356556 573386801 /nfs/dbraw/zinc/38/68/01/573386801.db2.gz GBMCTTCEFYGCLT-UHTWSYAYSA-N 0 0 196.334 3.674 10 0 AHAERN CCC1CCC(CC(=O)C2CC2)CC1 ZINC000086356679 572922668 /nfs/dbraw/zinc/92/26/68/572922668.db2.gz XPILKCOLTDHJLO-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1CC(=O)C1CC1 ZINC000086356734 572922657 /nfs/dbraw/zinc/92/26/57/572922657.db2.gz GTACIHGQYYEFJV-ZYHUDNBSSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCCC[C@@H]1CC(=O)C1CC1 ZINC000086356736 572923357 /nfs/dbraw/zinc/92/33/57/572923357.db2.gz GTACIHGQYYEFJV-CMPLNLGQSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCCC[C@H]1CC(=O)C1CC1 ZINC000086356738 572921999 /nfs/dbraw/zinc/92/19/99/572921999.db2.gz GTACIHGQYYEFJV-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCCC[C@H]1CC(=O)C1CC1 ZINC000086356740 572923401 /nfs/dbraw/zinc/92/34/01/572923401.db2.gz GTACIHGQYYEFJV-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC[C@H](CC(=O)C2CC2)C1 ZINC000086356793 573385307 /nfs/dbraw/zinc/38/53/07/573385307.db2.gz OMBOWDXJFXOZBB-MNOVXSKESA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC[C@H](CC(=O)C2CC2)C1 ZINC000086356795 572922212 /nfs/dbraw/zinc/92/22/12/572922212.db2.gz OMBOWDXJFXOZBB-QWRGUYRKSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC[C@@H](CC(=O)C2CC2)C1 ZINC000086356796 572923419 /nfs/dbraw/zinc/92/34/19/572923419.db2.gz OMBOWDXJFXOZBB-GHMZBOCLSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC[C@@H](CC(=O)C2CC2)C1 ZINC000086356798 572921851 /nfs/dbraw/zinc/92/18/51/572921851.db2.gz OMBOWDXJFXOZBB-WDEREUQCSA-N 0 0 194.318 3.572 10 0 AHAERN CCC(=O)[C@H](C)C1CCC(CC)CC1 ZINC000086356891 572921987 /nfs/dbraw/zinc/92/19/87/572921987.db2.gz XSKDFMCJNRUWMU-VOMCLLRMSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@@H](C)C1CCC(CC)CC1 ZINC000086356893 572923493 /nfs/dbraw/zinc/92/34/93/572923493.db2.gz XSKDFMCJNRUWMU-UNXYVOJBSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H](C)C1C[C@@H](C)C[C@H](C)C1 ZINC000086356924 573386997 /nfs/dbraw/zinc/38/69/97/573386997.db2.gz AYMSVIYWLBLHRK-GARJFASQSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(=O)[C@H](C)[C@H]1CCCC[C@H]1CC ZINC000086356984 572922187 /nfs/dbraw/zinc/92/21/87/572922187.db2.gz QQWUYNOSJYLETQ-IJLUTSLNSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H](C)[C@H]1CCCC[C@@H]1CC ZINC000086356987 572922884 /nfs/dbraw/zinc/92/28/84/572922884.db2.gz QQWUYNOSJYLETQ-GRYCIOLGSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H](C)[C@@H]1CCCC[C@H]1CC ZINC000086356988 572922836 /nfs/dbraw/zinc/92/28/36/572922836.db2.gz QQWUYNOSJYLETQ-UTUOFQBUSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H](C)[C@@H]1CCCC[C@@H]1CC ZINC000086356990 572922327 /nfs/dbraw/zinc/92/23/27/572922327.db2.gz QQWUYNOSJYLETQ-WOPDTQHZSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H](C)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000086357030 573385194 /nfs/dbraw/zinc/38/51/94/573385194.db2.gz BRJNTOXEYIKYFN-IRCOFANPSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(=O)[C@H](C)[C@H]1CCC[C@@H](CC)C1 ZINC000086357076 572922072 /nfs/dbraw/zinc/92/20/72/572922072.db2.gz MARQNGDWPPYIRX-UTUOFQBUSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H](C)[C@H]1CCC[C@H](CC)C1 ZINC000086357078 572923129 /nfs/dbraw/zinc/92/31/29/572923129.db2.gz MARQNGDWPPYIRX-WOPDTQHZSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H](C)[C@@H]1CCC[C@@H](CC)C1 ZINC000086357080 572923216 /nfs/dbraw/zinc/92/32/16/572923216.db2.gz MARQNGDWPPYIRX-IJLUTSLNSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H](C)[C@@H]1CCC[C@H](CC)C1 ZINC000086357082 572922502 /nfs/dbraw/zinc/92/25/02/572922502.db2.gz MARQNGDWPPYIRX-GRYCIOLGSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]([C@@H](C)O)[C@H]1CCCC[C@H]1CC ZINC000086358295 572923359 /nfs/dbraw/zinc/92/33/59/572923359.db2.gz QOTRAKFLCACPRB-NDBYEHHHSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]([C@@H](C)O)C1CCC(CC)CC1 ZINC000086358463 572922906 /nfs/dbraw/zinc/92/29/06/572922906.db2.gz AKOUOYAEEKRMFQ-XVSSEFHLSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H]([C@@H](C)O)C1CCC(CC)CC1 ZINC000086358466 572922257 /nfs/dbraw/zinc/92/22/57/572922257.db2.gz AKOUOYAEEKRMFQ-IKWCTNDRSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]([C@H](C)O)C1CCC(CC)CC1 ZINC000086358468 572922816 /nfs/dbraw/zinc/92/28/16/572922816.db2.gz AKOUOYAEEKRMFQ-WTIISPKJSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H]([C@H](C)O)C1CCC(CC)CC1 ZINC000086358470 572922408 /nfs/dbraw/zinc/92/24/08/572922408.db2.gz AKOUOYAEEKRMFQ-YWPUVAFDSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]([C@@H](C)O)[C@H]1CCC[C@@H](CC)C1 ZINC000086358749 572922388 /nfs/dbraw/zinc/92/23/88/572922388.db2.gz OWIXFURJFAEJSE-NDBYEHHHSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](O)C[C@@H]1CCCC[C@@H]1CC ZINC000086358771 572922299 /nfs/dbraw/zinc/92/22/99/572922299.db2.gz IJXWYMAFGSGLOE-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](O)C[C@H]1CCCC[C@@H]1CC ZINC000086358774 572922098 /nfs/dbraw/zinc/92/20/98/572922098.db2.gz IJXWYMAFGSGLOE-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](O)C[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000086358803 573383940 /nfs/dbraw/zinc/38/39/40/573383940.db2.gz MJVKYLRMPVKTQD-LOWDOPEQSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](O)CC1CCC(CC)CC1 ZINC000086358863 572922215 /nfs/dbraw/zinc/92/22/15/572922215.db2.gz RZAJJWIYMZTDID-BPCQOVAHSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](O)CC1CCC(CC)CC1 ZINC000086358865 572922880 /nfs/dbraw/zinc/92/28/80/572922880.db2.gz RZAJJWIYMZTDID-WXRRBKDZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](O)CC1C[C@@H](C)C[C@H](C)C1 ZINC000086359039 572921808 /nfs/dbraw/zinc/92/18/08/572921808.db2.gz SGTJEVYIZLIECW-GVXVVHGQSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](O)C[C@@H]1CCC[C@H](CC)C1 ZINC000086359043 572922354 /nfs/dbraw/zinc/92/23/54/572922354.db2.gz KTKAMMPEFLZEOJ-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](O)C[C@H]1CCC[C@H](CC)C1 ZINC000086359048 572923404 /nfs/dbraw/zinc/92/34/04/572923404.db2.gz KTKAMMPEFLZEOJ-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CC1CCC(C[C@H](O)C(C)(C)C)CC1 ZINC000086359167 573386678 /nfs/dbraw/zinc/38/66/78/573386678.db2.gz AZBWZNOCTRUTQD-MCIGGMRASA-N 0 0 198.350 3.610 10 0 AHAERN CC1CCC(C[C@@H](O)C(C)(C)C)CC1 ZINC000086359168 573386902 /nfs/dbraw/zinc/38/69/02/573386902.db2.gz AZBWZNOCTRUTQD-HTAVTVPLSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1CCC[C@H](C[C@H](O)C(C)(C)C)C1 ZINC000086359169 573385529 /nfs/dbraw/zinc/38/55/29/573385529.db2.gz DJYGXDRNZOPTHN-WOPDTQHZSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1CCC[C@@H](C[C@H](O)C(C)(C)C)C1 ZINC000086359171 573385334 /nfs/dbraw/zinc/38/53/34/573385334.db2.gz DJYGXDRNZOPTHN-UTUOFQBUSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1C[C@H](O)C(C)C ZINC000086359365 572924222 /nfs/dbraw/zinc/92/42/22/572924222.db2.gz RMXDLSOIHZXXQZ-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCCC[C@H]1C[C@H](O)C(C)C ZINC000086359367 572925479 /nfs/dbraw/zinc/92/54/79/572925479.db2.gz RMXDLSOIHZXXQZ-AGIUHOORSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC(C[C@H](O)C(C)C)CC1 ZINC000086359449 572924209 /nfs/dbraw/zinc/92/42/09/572924209.db2.gz QJOGOPKMVSISEX-BPCQOVAHSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC(C[C@@H](O)C(C)C)CC1 ZINC000086359451 572924303 /nfs/dbraw/zinc/92/43/03/572924303.db2.gz QJOGOPKMVSISEX-WXRRBKDZSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCC[C@H](C[C@H](O)C(C)C)C1 ZINC000086359618 572924230 /nfs/dbraw/zinc/92/42/30/572924230.db2.gz XVDQTYUCHQPIIC-AGIUHOORSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCC[C@@H](C[C@H](O)C(C)C)C1 ZINC000086359622 572925024 /nfs/dbraw/zinc/92/50/24/572925024.db2.gz XVDQTYUCHQPIIC-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H]1CC[C@H](O)[C@H]([C@@H](C)CC)C1 ZINC000086361971 572925394 /nfs/dbraw/zinc/92/53/94/572925394.db2.gz KFONSFJCABDEFA-RNJOBUHISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](O)[C@H](C)C1CCC(CC)CC1 ZINC000086363507 572925199 /nfs/dbraw/zinc/92/51/99/572925199.db2.gz MBEODOVCGAFQIK-IKWCTNDRSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](O)[C@@H](C)C1CCC(CC)CC1 ZINC000086363508 572924281 /nfs/dbraw/zinc/92/42/81/572924281.db2.gz MBEODOVCGAFQIK-YWPUVAFDSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](O)[C@H](C)C1CCC(CC)CC1 ZINC000086363510 572924742 /nfs/dbraw/zinc/92/47/42/572924742.db2.gz MBEODOVCGAFQIK-XVSSEFHLSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](O)[C@@H](C)C1CCC(CC)CC1 ZINC000086363512 572924263 /nfs/dbraw/zinc/92/42/63/572924263.db2.gz MBEODOVCGAFQIK-WTIISPKJSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](O)[C@H](C)[C@H]1CCC[C@@H](CC)C1 ZINC000086363747 572925563 /nfs/dbraw/zinc/92/55/63/572925563.db2.gz VUKMAFZBPQKFPW-FVCCEPFGSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC1CCC(O)([C@@H](C)CC)CC1 ZINC000086387665 572929689 /nfs/dbraw/zinc/92/96/89/572929689.db2.gz DDUDCIPTMCPWPF-HIFPTAJRSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC1CCC(O)([C@H](C)CC)CC1 ZINC000086387667 572929164 /nfs/dbraw/zinc/92/91/64/572929164.db2.gz DDUDCIPTMCPWPF-PNESKVBLSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)[C@]1(O)C[C@H](C)CC(C)(C)C1 ZINC000086387671 573397055 /nfs/dbraw/zinc/39/70/55/573397055.db2.gz XUGHFZJRWRMXQT-MDZLAQPJSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@@]1(O)C[C@H](C)CC(C)(C)C1 ZINC000086387676 573395883 /nfs/dbraw/zinc/39/58/83/573395883.db2.gz XUGHFZJRWRMXQT-NTZNESFSSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)C1(O)CCC(C(C)C)CC1 ZINC000086387822 573393859 /nfs/dbraw/zinc/39/38/59/573393859.db2.gz IZWUVVOZMFKOEG-PNESKVBLSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C1(O)CCC(C(C)C)CC1 ZINC000086387824 573393740 /nfs/dbraw/zinc/39/37/40/573393740.db2.gz IZWUVVOZMFKOEG-HIFPTAJRSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@@]1(O)CCC[C@@H](CC)CC1 ZINC000086388372 573396537 /nfs/dbraw/zinc/39/65/37/573396537.db2.gz GDARWBRSWVZEEL-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)[C@]1(O)CCC[C@@H](CC)CC1 ZINC000086388375 573394815 /nfs/dbraw/zinc/39/48/15/573394815.db2.gz GDARWBRSWVZEEL-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)[C@]1(O)CCCC(C)(C)CC1 ZINC000086388378 573397647 /nfs/dbraw/zinc/39/76/47/573397647.db2.gz UTJOWWNHATVALT-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)[C@]1(O)CCCC(C)(C)CC1 ZINC000086388380 573392601 /nfs/dbraw/zinc/39/26/01/573392601.db2.gz UTJOWWNHATVALT-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)[C@@]1(O)CCCC(C)(C)CC1 ZINC000086388382 573393424 /nfs/dbraw/zinc/39/34/24/573393424.db2.gz UTJOWWNHATVALT-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)[C@@]1(O)CCCC(C)(C)CC1 ZINC000086388383 573397566 /nfs/dbraw/zinc/39/75/66/573397566.db2.gz UTJOWWNHATVALT-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)C(=O)C1CCC(C)(C)CC1 ZINC000086389088 573399970 /nfs/dbraw/zinc/39/99/70/573399970.db2.gz XZWXEZAZOTVZJG-SNVBAGLBSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)C(=O)C1CCC(C)(C)CC1 ZINC000086389090 573400242 /nfs/dbraw/zinc/40/02/42/573400242.db2.gz XZWXEZAZOTVZJG-JTQLQIEISA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H](C)C(=O)C1CCCCCC1 ZINC000086389092 573398886 /nfs/dbraw/zinc/39/88/86/573398886.db2.gz XICPUWCDFGYFPU-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H](C)C(=O)C1CCCCCC1 ZINC000086389095 573402724 /nfs/dbraw/zinc/40/27/24/573402724.db2.gz XICPUWCDFGYFPU-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@@H](C)[C@H](O)C1CCC(C)(C)CC1 ZINC000086389873 573400833 /nfs/dbraw/zinc/40/08/33/573400833.db2.gz NCGBWDHNKYZXPZ-PWSUYJOCSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@H](O)C1CCC(C)(C)CC1 ZINC000086389876 573401436 /nfs/dbraw/zinc/40/14/36/573401436.db2.gz NCGBWDHNKYZXPZ-JQWIXIFHSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)[C@@H](O)C1CCC(C)(C)CC1 ZINC000086389880 573400388 /nfs/dbraw/zinc/40/03/88/573400388.db2.gz NCGBWDHNKYZXPZ-ZYHUDNBSSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@@H](O)C1CCC(C)(C)CC1 ZINC000086389882 573399934 /nfs/dbraw/zinc/39/99/34/573399934.db2.gz NCGBWDHNKYZXPZ-CMPLNLGQSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@]1(O)CCCCC1(C)C ZINC000086848786 573650984 /nfs/dbraw/zinc/65/09/84/573650984.db2.gz BOUIGPFWVJLUCO-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@@]1(O)CCCCC1(C)C ZINC000086848789 573651521 /nfs/dbraw/zinc/65/15/21/573651521.db2.gz BOUIGPFWVJLUCO-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CC[C@@H](C)C[C@]1(O)CCCCC1(C)C ZINC000086849028 573650617 /nfs/dbraw/zinc/65/06/17/573650617.db2.gz OSFGRQYUGBILRG-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@]1(O)CCCCC1(C)C ZINC000086849029 573651329 /nfs/dbraw/zinc/65/13/29/573651329.db2.gz OSFGRQYUGBILRG-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)C[C@@]1(O)CCCCC1(C)C ZINC000086849031 573651012 /nfs/dbraw/zinc/65/10/12/573651012.db2.gz OSFGRQYUGBILRG-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@@]1(O)CCCCC1(C)C ZINC000086849032 573647910 /nfs/dbraw/zinc/64/79/10/573647910.db2.gz OSFGRQYUGBILRG-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@]1(O)CCCCC1(C)C ZINC000086849198 572328551 /nfs/dbraw/zinc/32/85/51/572328551.db2.gz BDLCXJSKNJIRKO-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@]1(O)CCCCC1(C)C ZINC000086849200 572326767 /nfs/dbraw/zinc/32/67/67/572326767.db2.gz BDLCXJSKNJIRKO-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CC(C)CC[C@]1(O)CCCCC1(C)C ZINC000086849262 573651459 /nfs/dbraw/zinc/65/14/59/573651459.db2.gz CKGPWZXQCUJNEJ-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)CC[C@@]1(O)CCCCC1(C)C ZINC000086849264 573650364 /nfs/dbraw/zinc/65/03/64/573650364.db2.gz CKGPWZXQCUJNEJ-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC1(C)CCCC[C@]1(O)C1CCCC1 ZINC000086849347 573650278 /nfs/dbraw/zinc/65/02/78/573650278.db2.gz PXHCQLVDECVNRF-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CC1(C)CCCC[C@@]1(O)C1CCCC1 ZINC000086849348 573649335 /nfs/dbraw/zinc/64/93/35/573649335.db2.gz PXHCQLVDECVNRF-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CC1(C)CCC[C@@H]1Nc1ccccc1 ZINC000086855629 573656980 /nfs/dbraw/zinc/65/69/80/573656980.db2.gz GULOIYBNXUDPGA-LBPRGKRZSA-N 0 0 189.302 3.677 10 0 AHAERN CC1(C)CCC[C@H]1Nc1ccccc1 ZINC000086855630 573656328 /nfs/dbraw/zinc/65/63/28/573656328.db2.gz GULOIYBNXUDPGA-GFCCVEGCSA-N 0 0 189.302 3.677 10 0 AHAERN Cc1cccc(Cc2cccs2)c1 ZINC000086863028 168868419 /nfs/dbraw/zinc/86/84/19/168868419.db2.gz UGBGFWVRJJHWOF-UHFFFAOYSA-N 0 0 188.295 3.647 10 0 AHAERN CC1(C)CCC[C@@H]1Nc1ccsc1 ZINC000086865419 573661454 /nfs/dbraw/zinc/66/14/54/573661454.db2.gz ZUABKNBACZXWNA-JTQLQIEISA-N 0 0 195.331 3.739 10 0 AHAERN CC1(C)CCC[C@H]1Nc1ccsc1 ZINC000086865420 573663102 /nfs/dbraw/zinc/66/31/02/573663102.db2.gz ZUABKNBACZXWNA-SNVBAGLBSA-N 0 0 195.331 3.739 10 0 AHAERN CCCCCC[C@]1(O)CCCC1(C)C ZINC000086867108 572326806 /nfs/dbraw/zinc/32/68/06/572326806.db2.gz HADGGUOUBIXVQM-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@@]1(O)CCCC1(C)C ZINC000086867109 572328381 /nfs/dbraw/zinc/32/83/81/572328381.db2.gz HADGGUOUBIXVQM-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CC1(C)CCC[C@]1(O)C1CCCCC1 ZINC000086867110 573662630 /nfs/dbraw/zinc/66/26/30/573662630.db2.gz SFTPQCBNENMZPE-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CC1(C)CCC[C@@]1(O)C1CCCCC1 ZINC000086867111 573658871 /nfs/dbraw/zinc/65/88/71/573658871.db2.gz SFTPQCBNENMZPE-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CC1(C)CCC[C@]1(O)CC1CCCC1 ZINC000086867158 573661404 /nfs/dbraw/zinc/66/14/04/573661404.db2.gz VBYVEAADPINQKW-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CC1(C)CCC[C@@]1(O)CC1CCCC1 ZINC000086867159 573663155 /nfs/dbraw/zinc/66/31/55/573663155.db2.gz VBYVEAADPINQKW-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CCCCC[C@]1(O)CCCC1(C)C ZINC000086867234 572327398 /nfs/dbraw/zinc/32/73/98/572327398.db2.gz WZCVKMOOIKVTTR-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@@]1(O)CCCC1(C)C ZINC000086867235 572327383 /nfs/dbraw/zinc/32/73/83/572327383.db2.gz WZCVKMOOIKVTTR-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CC(C)(C)CC[C@@]1(O)CCCC1(C)C ZINC000086867418 573658835 /nfs/dbraw/zinc/65/88/35/573658835.db2.gz INGKCHXKJFABDT-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CC[C@]1(O)CCCC1(C)C ZINC000086867419 573661622 /nfs/dbraw/zinc/66/16/22/573661622.db2.gz INGKCHXKJFABDT-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)C[C@]1(O)CCCC1(C)C ZINC000086867467 573659583 /nfs/dbraw/zinc/65/95/83/573659583.db2.gz IHYRROOWPIQRJA-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@]1(O)CCCC1(C)C ZINC000086867468 572328156 /nfs/dbraw/zinc/32/81/56/572328156.db2.gz IHYRROOWPIQRJA-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)C[C@@]1(O)CCCC1(C)C ZINC000086867469 572326909 /nfs/dbraw/zinc/32/69/09/572326909.db2.gz IHYRROOWPIQRJA-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@@]1(O)CCCC1(C)C ZINC000086867470 572327900 /nfs/dbraw/zinc/32/79/00/572327900.db2.gz IHYRROOWPIQRJA-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN Cc1ccc(C)n1[C@@H]1CCCC1(C)C ZINC000086876964 573670427 /nfs/dbraw/zinc/67/04/27/573670427.db2.gz RQBGXFDQGHJWTN-GFCCVEGCSA-N 0 0 191.318 3.856 10 0 AHAERN Cc1ccc(C)n1[C@H]1CCCC1(C)C ZINC000086876967 573671545 /nfs/dbraw/zinc/67/15/45/573671545.db2.gz RQBGXFDQGHJWTN-LBPRGKRZSA-N 0 0 191.318 3.856 10 0 AHAERN CC1(C)CCCC[C@@H]1n1cccc1 ZINC000086876976 573673550 /nfs/dbraw/zinc/67/35/50/573673550.db2.gz ZMQIVUCYWMVZNB-NSHDSACASA-N 0 0 177.291 3.629 10 0 AHAERN CC1(C)CCCC[C@H]1n1cccc1 ZINC000086876979 573669687 /nfs/dbraw/zinc/66/96/87/573669687.db2.gz ZMQIVUCYWMVZNB-LLVKDONJSA-N 0 0 177.291 3.629 10 0 AHAERN Nc1ccc2c(c1)CCC2=C1CCCC1 ZINC000086883479 572331745 /nfs/dbraw/zinc/33/17/45/572331745.db2.gz PQXGRVWEDKHQEY-UHFFFAOYSA-N 0 0 199.297 3.543 10 0 AHAERN CCC(CC)Sc1ccccc1N ZINC000087157583 572382619 /nfs/dbraw/zinc/38/26/19/572382619.db2.gz YIBSCTBWANQMKT-UHFFFAOYSA-N 0 0 195.331 3.550 10 0 AHAERN CCC(CC)Sc1ccc(N)cc1 ZINC000087157596 572379639 /nfs/dbraw/zinc/37/96/39/572379639.db2.gz WLJQNPQJDLRCFC-UHFFFAOYSA-N 0 0 195.331 3.550 10 0 AHAERN CCC(CC)Sc1cccc(N)c1 ZINC000087157664 572381423 /nfs/dbraw/zinc/38/14/23/572381423.db2.gz SYQIDDKZZYYCSW-UHFFFAOYSA-N 0 0 195.331 3.550 10 0 AHAERN CCC(CC)CC(=O)c1ccccc1 ZINC000087158125 572382259 /nfs/dbraw/zinc/38/22/59/572382259.db2.gz KMSYDDGPKBBSNA-UHFFFAOYSA-N 0 0 190.286 3.696 10 0 AHAERN CCC(CC)[C@@H]1CCCCCC1=O ZINC000087158155 573803909 /nfs/dbraw/zinc/80/39/09/573803909.db2.gz XRJADNZYIBBMKO-NSHDSACASA-N 0 0 182.307 3.572 10 0 AHAERN CCC(CC)[C@H]1CCCCCC1=O ZINC000087158158 573806568 /nfs/dbraw/zinc/80/65/68/573806568.db2.gz XRJADNZYIBBMKO-LLVKDONJSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(CC)[C@@H]1C[C@H](CC)CCC1=O ZINC000087158167 572381820 /nfs/dbraw/zinc/38/18/20/572381820.db2.gz NOUPYYVIPNTKIG-PWSUYJOCSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)[C@@H]1C[C@@H](CC)CCC1=O ZINC000087158169 572381662 /nfs/dbraw/zinc/38/16/62/572381662.db2.gz NOUPYYVIPNTKIG-JQWIXIFHSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)[C@H]1C[C@H](CC)CCC1=O ZINC000087158170 572382832 /nfs/dbraw/zinc/38/28/32/572382832.db2.gz NOUPYYVIPNTKIG-ZYHUDNBSSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)[C@H]1C[C@@H](CC)CCC1=O ZINC000087158172 572382309 /nfs/dbraw/zinc/38/23/09/572382309.db2.gz NOUPYYVIPNTKIG-CMPLNLGQSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C1(O)CCC(CC)CC1 ZINC000087158327 572381287 /nfs/dbraw/zinc/38/12/87/572381287.db2.gz NUGGCFPBGQYZNQ-UHFFFAOYSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C1(O)CCCCCC1 ZINC000087158350 573805982 /nfs/dbraw/zinc/80/59/82/573805982.db2.gz SBYQDTZWOKXNFQ-UHFFFAOYSA-N 0 0 184.323 3.508 10 0 AHAERN CCC(CC)[C@@]1(O)CCC[C@@H](CC)C1 ZINC000087158715 572382336 /nfs/dbraw/zinc/38/23/36/572382336.db2.gz OGVUDBAIFDRPOP-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@@]1(O)CCC[C@H](CC)C1 ZINC000087158716 572380479 /nfs/dbraw/zinc/38/04/79/572380479.db2.gz OGVUDBAIFDRPOP-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@]1(O)CCC[C@@H](CC)C1 ZINC000087158717 572379581 /nfs/dbraw/zinc/37/95/81/572379581.db2.gz OGVUDBAIFDRPOP-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@]1(O)CCC[C@H](CC)C1 ZINC000087158719 572379914 /nfs/dbraw/zinc/37/99/14/572379914.db2.gz OGVUDBAIFDRPOP-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@@]1(O)CCCC[C@H]1CC ZINC000087158721 572382296 /nfs/dbraw/zinc/38/22/96/572382296.db2.gz UOARJWFQWCVCMA-OLZOCXBDSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@@]1(O)CCCC[C@@H]1CC ZINC000087158725 572379450 /nfs/dbraw/zinc/37/94/50/572379450.db2.gz UOARJWFQWCVCMA-STQMWFEESA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@]1(O)CCCC[C@H]1CC ZINC000087158727 572381185 /nfs/dbraw/zinc/38/11/85/572381185.db2.gz UOARJWFQWCVCMA-CHWSQXEVSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@]1(O)CCCC[C@@H]1CC ZINC000087158730 572381414 /nfs/dbraw/zinc/38/14/14/572381414.db2.gz UOARJWFQWCVCMA-QWHCGFSZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C1(O)CCC(C)(C)CC1 ZINC000087158731 573806439 /nfs/dbraw/zinc/80/64/39/573806439.db2.gz QAYBCTOTHLWLIE-UHFFFAOYSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@]1(O)CCCC(C)(C)C1 ZINC000087158737 573804905 /nfs/dbraw/zinc/80/49/05/573804905.db2.gz BFPDWZODFNZSQG-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@@]1(O)CCCC(C)(C)C1 ZINC000087158739 573807423 /nfs/dbraw/zinc/80/74/23/573807423.db2.gz BFPDWZODFNZSQG-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C1(O)C[C@@H](C)C[C@H](C)C1 ZINC000087158764 573808608 /nfs/dbraw/zinc/80/86/08/573808608.db2.gz NAMNZERZWYODIL-QWRGUYRKSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)C1(O)C[C@H](C)C[C@@H](C)C1 ZINC000087158766 573809304 /nfs/dbraw/zinc/80/93/04/573809304.db2.gz NAMNZERZWYODIL-GHMZBOCLSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@]1(O)CC[C@H](C)[C@H](C)C1 ZINC000087158768 573809179 /nfs/dbraw/zinc/80/91/79/573809179.db2.gz QKPVQPWLIMRAJT-LOWVWBTDSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@]1(O)CC[C@@H](C)[C@H](C)C1 ZINC000087158773 573806908 /nfs/dbraw/zinc/80/69/08/573806908.db2.gz QKPVQPWLIMRAJT-WZRBSPASSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@]1(O)CCC[C@H](C)[C@@H]1C ZINC000087158776 573808265 /nfs/dbraw/zinc/80/82/65/573808265.db2.gz XPQYUAFKNPOMKY-GVXVVHGQSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@]1(O)CCC[C@@H](C)[C@@H]1C ZINC000087158780 573807495 /nfs/dbraw/zinc/80/74/95/573807495.db2.gz XPQYUAFKNPOMKY-MDZLAQPJSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@]1(O)CC[C@H](C)C[C@@H]1C ZINC000087158784 573808067 /nfs/dbraw/zinc/80/80/67/573808067.db2.gz CBUCCYAVNFGSBX-GVXVVHGQSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@]1(O)CC[C@@H](C)C[C@@H]1C ZINC000087158786 573806053 /nfs/dbraw/zinc/80/60/53/573806053.db2.gz CBUCCYAVNFGSBX-MDZLAQPJSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@]1(O)C[C@H](C)CC[C@@H]1C ZINC000087158790 573807787 /nfs/dbraw/zinc/80/77/87/573807787.db2.gz ZFHRGXMZKVSKII-MDZLAQPJSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@]1(O)C[C@@H](C)CC[C@@H]1C ZINC000087158794 573807408 /nfs/dbraw/zinc/80/74/08/573807408.db2.gz ZFHRGXMZKVSKII-GVXVVHGQSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@]1(O)CCC[C@H](C)CC1 ZINC000087158849 573807528 /nfs/dbraw/zinc/80/75/28/573807528.db2.gz WVAGRHXFOQFJRN-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@@]1(O)CCC[C@H](C)CC1 ZINC000087158851 573808019 /nfs/dbraw/zinc/80/80/19/573808019.db2.gz WVAGRHXFOQFJRN-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@]1(O)CCC[C@@H](C)CC1 ZINC000087158853 573805965 /nfs/dbraw/zinc/80/59/65/573805965.db2.gz WVAGRHXFOQFJRN-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@@]1(O)CCC[C@@H](C)CC1 ZINC000087158855 573805557 /nfs/dbraw/zinc/80/55/57/573805557.db2.gz WVAGRHXFOQFJRN-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@H](O)C1CCCCCC1 ZINC000087158900 572382667 /nfs/dbraw/zinc/38/26/67/572382667.db2.gz AYIHRECSTJYCOL-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@@H](O)C1CCCCCC1 ZINC000087158901 572382449 /nfs/dbraw/zinc/38/24/49/572382449.db2.gz AYIHRECSTJYCOL-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@]1(O)CCCCC1(C)C ZINC000087158961 573806661 /nfs/dbraw/zinc/80/66/61/573806661.db2.gz WSXMEQAJLFKBNN-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@@]1(O)CCCCC1(C)C ZINC000087158962 573809591 /nfs/dbraw/zinc/80/95/91/573809591.db2.gz WSXMEQAJLFKBNN-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C(=O)C1CCCCC1 ZINC000087169179 572396161 /nfs/dbraw/zinc/39/61/61/572396161.db2.gz PQDNNKNYHNKMGA-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(CC)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000087169207 572396734 /nfs/dbraw/zinc/39/67/34/572396734.db2.gz DJCUJNCQGXHZFB-CMPLNLGQSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000087169209 572397033 /nfs/dbraw/zinc/39/70/33/572397033.db2.gz DJCUJNCQGXHZFB-JQWIXIFHSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000087169210 572396837 /nfs/dbraw/zinc/39/68/37/572396837.db2.gz DJCUJNCQGXHZFB-ZYHUDNBSSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000087169212 572397271 /nfs/dbraw/zinc/39/72/71/572397271.db2.gz DJCUJNCQGXHZFB-PWSUYJOCSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C(=O)C1CCC(C)CC1 ZINC000087169214 572394799 /nfs/dbraw/zinc/39/47/99/572394799.db2.gz FXTDTYQFHQIDMK-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C(=O)C1CCCCCC1 ZINC000087169323 572396850 /nfs/dbraw/zinc/39/68/50/572396850.db2.gz RARFUHHRIIFWLM-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(CC)C(=O)[C@H]1CC[C@@H](CC)C1 ZINC000087169341 572397816 /nfs/dbraw/zinc/39/78/16/572397816.db2.gz BVDIBBXRICQKPH-PWSUYJOCSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C(=O)[C@H]1CC[C@H](CC)C1 ZINC000087169343 572395659 /nfs/dbraw/zinc/39/56/59/572395659.db2.gz BVDIBBXRICQKPH-JQWIXIFHSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C(=O)[C@@H]1CC[C@@H](CC)C1 ZINC000087169345 572394883 /nfs/dbraw/zinc/39/48/83/572394883.db2.gz BVDIBBXRICQKPH-ZYHUDNBSSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C(=O)[C@@H]1CC[C@H](CC)C1 ZINC000087169347 572394662 /nfs/dbraw/zinc/39/46/62/572394662.db2.gz BVDIBBXRICQKPH-CMPLNLGQSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)[C@@H](O)[C@H]1CC[C@@H](CC)C1 ZINC000087169624 572397172 /nfs/dbraw/zinc/39/71/72/572397172.db2.gz BXUVJHLMLRPIGO-KGYLQXTDSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@@H](O)[C@@H]1CC[C@@H](CC)C1 ZINC000087169628 572397120 /nfs/dbraw/zinc/39/71/20/572397120.db2.gz BXUVJHLMLRPIGO-RAIGVLPGSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)C[C@H](O)c1ccccc1 ZINC000087171604 572395162 /nfs/dbraw/zinc/39/51/62/572395162.db2.gz BEOOCNGKHDSAEI-ZDUSSCGKSA-N 0 0 192.302 3.546 10 0 AHAERN CCC(CC)C[C@@H](O)c1ccccc1 ZINC000087171605 572396266 /nfs/dbraw/zinc/39/62/66/572396266.db2.gz BEOOCNGKHDSAEI-CYBMUJFWSA-N 0 0 192.302 3.546 10 0 AHAERN CCC(CC)[C@@H]1C[C@H](CC)CC[C@@H]1O ZINC000087171672 572397965 /nfs/dbraw/zinc/39/79/65/572397965.db2.gz WHAKWKLUXBWYJO-WXHSDQCUSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@@H]1C[C@H](CC)CC[C@H]1O ZINC000087171674 572396300 /nfs/dbraw/zinc/39/63/00/572396300.db2.gz WHAKWKLUXBWYJO-KGYLQXTDSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC(=O)CCC(CC)CC ZINC000087174500 572385599 /nfs/dbraw/zinc/38/55/99/572385599.db2.gz VKRGMUGBOKKSKN-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN CCC(CC)CCC(=O)C(C)(C)C ZINC000087174510 572385888 /nfs/dbraw/zinc/38/58/88/572385888.db2.gz LZBKWGBEBQABMV-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN CCC(CC)[C@@H]1CCCCC(=O)C1 ZINC000087174517 573812906 /nfs/dbraw/zinc/81/29/06/573812906.db2.gz ZFFYACZQZLFNLB-LLVKDONJSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(CC)[C@H]1CCCCC(=O)C1 ZINC000087174522 573812141 /nfs/dbraw/zinc/81/21/41/573812141.db2.gz ZFFYACZQZLFNLB-NSHDSACASA-N 0 0 182.307 3.572 10 0 AHAERN CCC(CC)CC[C@H](O)C(C)(C)C ZINC000087175071 572386566 /nfs/dbraw/zinc/38/65/66/572386566.db2.gz XCTVQXWCDZFPLZ-NSHDSACASA-N 0 0 186.339 3.610 10 0 AHAERN CCC(CC)CC[C@@H](O)C(C)(C)C ZINC000087175074 572387716 /nfs/dbraw/zinc/38/77/16/572387716.db2.gz XCTVQXWCDZFPLZ-LLVKDONJSA-N 0 0 186.339 3.610 10 0 AHAERN CCC(CC)C1=C[C@H](O)CC(C)(C)C1 ZINC000087175117 573810808 /nfs/dbraw/zinc/81/08/08/573810808.db2.gz BMPQVAPWNRAWIM-LBPRGKRZSA-N 0 0 196.334 3.530 10 0 AHAERN CCC(CC)C1=C[C@@H](O)CC(C)(C)C1 ZINC000087175121 573812945 /nfs/dbraw/zinc/81/29/45/573812945.db2.gz BMPQVAPWNRAWIM-GFCCVEGCSA-N 0 0 196.334 3.530 10 0 AHAERN CCC(CC)Oc1ccccc1C ZINC000087175405 572387214 /nfs/dbraw/zinc/38/72/14/572387214.db2.gz DPOLQRZSCFIVOR-UHFFFAOYSA-N 0 0 178.275 3.562 10 0 AHAERN CCC(CC)Oc1ccccc1Cl ZINC000087175408 572387524 /nfs/dbraw/zinc/38/75/24/572387524.db2.gz WHRNCROPGQWXQQ-UHFFFAOYSA-N 0 0 198.693 3.907 10 0 AHAERN CCC(CC)Oc1ccc(C)cc1 ZINC000087175412 572388591 /nfs/dbraw/zinc/38/85/91/572388591.db2.gz FAJTUODZVYEYIN-UHFFFAOYSA-N 0 0 178.275 3.562 10 0 AHAERN CCC(CC)Oc1ccc(Cl)cc1 ZINC000087175420 572388640 /nfs/dbraw/zinc/38/86/40/572388640.db2.gz QXKVFYQNENTVEG-UHFFFAOYSA-N 0 0 198.693 3.907 10 0 AHAERN CCC(CC)Oc1cccc(C)c1 ZINC000087175423 572389096 /nfs/dbraw/zinc/38/90/96/572389096.db2.gz IUFLQPVMUPKLBR-UHFFFAOYSA-N 0 0 178.275 3.562 10 0 AHAERN CCC(CC)Oc1cccc(Cl)c1 ZINC000087175431 572387756 /nfs/dbraw/zinc/38/77/56/572387756.db2.gz VQCRVMLVKWYWSV-UHFFFAOYSA-N 0 0 198.693 3.907 10 0 AHAERN CCc1ccc(OC(CC)CC)cc1 ZINC000087175434 572387056 /nfs/dbraw/zinc/38/70/56/572387056.db2.gz OIHRQWOAAWVNIC-UHFFFAOYSA-N 0 0 192.302 3.816 10 0 AHAERN CCc1cccc(OC(CC)CC)c1 ZINC000087175437 572388612 /nfs/dbraw/zinc/38/86/12/572388612.db2.gz YCOHBVFQFMGBIW-UHFFFAOYSA-N 0 0 192.302 3.816 10 0 AHAERN CCc1ccccc1OC(CC)CC ZINC000087175439 572389166 /nfs/dbraw/zinc/38/91/66/572389166.db2.gz FUYDUIMNTKQNJU-UHFFFAOYSA-N 0 0 192.302 3.816 10 0 AHAERN CCC(CC)Oc1ccc(C)cc1C ZINC000087175442 572388049 /nfs/dbraw/zinc/38/80/49/572388049.db2.gz VHHOYOGLPWKYGW-UHFFFAOYSA-N 0 0 192.302 3.871 10 0 AHAERN CCC(CC)Oc1cc(C)ccc1F ZINC000087175444 572387980 /nfs/dbraw/zinc/38/79/80/572387980.db2.gz AIUNZVGOIODAHS-UHFFFAOYSA-N 0 0 196.265 3.702 10 0 AHAERN CCC(CC)Oc1cc(C)cc(C)c1 ZINC000087175446 572387644 /nfs/dbraw/zinc/38/76/44/572387644.db2.gz RBVLEWFUINPFMJ-UHFFFAOYSA-N 0 0 192.302 3.871 10 0 AHAERN CCCC[C@@](CC)(CO)[C@@H](C)CC ZINC000087176118 572388829 /nfs/dbraw/zinc/38/88/29/572388829.db2.gz XXSLTKPLSRFPSI-RYUDHWBXSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC[C@](CC)(CO)[C@@H](C)CC ZINC000087176121 572388912 /nfs/dbraw/zinc/38/89/12/572388912.db2.gz XXSLTKPLSRFPSI-NWDGAFQWSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC[C@@](CC)(CO)[C@H](C)CC ZINC000087176124 572388810 /nfs/dbraw/zinc/38/88/10/572388810.db2.gz XXSLTKPLSRFPSI-NEPJUHHUSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC[C@](CC)(CO)[C@H](C)CC ZINC000087176127 572389204 /nfs/dbraw/zinc/38/92/04/572389204.db2.gz XXSLTKPLSRFPSI-VXGBXAGGSA-N 0 0 186.339 3.611 10 0 AHAERN C=Cc1oc2ccccc2c1CC ZINC000087198237 573824353 /nfs/dbraw/zinc/82/43/53/573824353.db2.gz RHAFTQUOZTXYIX-UHFFFAOYSA-N 0 0 172.227 3.638 10 0 AHAERN C=Cc1ccc(SC(C)C)cc1 ZINC000087198246 573824991 /nfs/dbraw/zinc/82/49/91/573824991.db2.gz XHCGUEVXQUJXTI-UHFFFAOYSA-N 0 0 178.300 3.830 10 0 AHAERN C=Cc1cc(F)c(Cl)cc1Cl ZINC000087198285 573825073 /nfs/dbraw/zinc/82/50/73/573825073.db2.gz IUJCGTTZVLDOBC-UHFFFAOYSA-N 0 0 191.032 3.776 10 0 AHAERN C[C@H](Nc1ccsc1)c1ccoc1 ZINC000087290481 573869591 /nfs/dbraw/zinc/86/95/91/573869591.db2.gz FVZKZIVCMGNLGN-QMMMGPOBSA-N 0 0 193.271 3.514 10 0 AHAERN C[C@@H](Nc1ccsc1)c1ccoc1 ZINC000087290482 573871138 /nfs/dbraw/zinc/87/11/38/573871138.db2.gz FVZKZIVCMGNLGN-MRVPVSSYSA-N 0 0 193.271 3.514 10 0 AHAERN CC1(C(=O)c2cccs2)CCCC1 ZINC000087315758 573878018 /nfs/dbraw/zinc/87/80/18/573878018.db2.gz XOMOBUUVXNPXNL-UHFFFAOYSA-N 0 0 194.299 3.511 10 0 AHAERN CC1(CNc2ccccc2)CCCC1 ZINC000087316528 573876486 /nfs/dbraw/zinc/87/64/86/573876486.db2.gz DMUURCHNKIIAKZ-UHFFFAOYSA-N 0 0 189.302 3.679 10 0 AHAERN CCC[C@@H]1C[C@]1(O)C1(CC)CCCC1 ZINC000087329823 572420040 /nfs/dbraw/zinc/42/00/40/572420040.db2.gz OQWYRUZHKXPTRZ-DGCLKSJQSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H]1C[C@]1(O)C1(CC)CCCC1 ZINC000087329827 572422149 /nfs/dbraw/zinc/42/21/49/572422149.db2.gz OQWYRUZHKXPTRZ-WCQYABFASA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@@H]1C[C@@]1(O)C1(CC)CCCC1 ZINC000087329831 572422997 /nfs/dbraw/zinc/42/29/97/572422997.db2.gz OQWYRUZHKXPTRZ-YPMHNXCESA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@H]1C[C@@]1(O)C1(CC)CCCC1 ZINC000087329835 572422347 /nfs/dbraw/zinc/42/23/47/572422347.db2.gz OQWYRUZHKXPTRZ-AAEUAGOBSA-N 0 0 196.334 3.508 10 0 AHAERN CCCCCC[C@](C)(O)C1(C)CC1 ZINC000087365415 572431246 /nfs/dbraw/zinc/43/12/46/572431246.db2.gz PZAPTVNMCZUQII-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@@](C)(O)C1(C)CC1 ZINC000087365418 572433984 /nfs/dbraw/zinc/43/39/84/572433984.db2.gz PZAPTVNMCZUQII-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN C[C@@](O)(CC1CCCCC1)C1(C)CC1 ZINC000087365672 573900105 /nfs/dbraw/zinc/90/01/05/573900105.db2.gz KRHZJUHGNSNROG-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@](O)(CC1CCCCC1)C1(C)CC1 ZINC000087365674 573899793 /nfs/dbraw/zinc/89/97/93/573899793.db2.gz KRHZJUHGNSNROG-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@@H](C)C[C@H](O)CC1CCCCC1 ZINC000087473786 572504991 /nfs/dbraw/zinc/50/49/91/572504991.db2.gz KHEQOHRHBCZVRH-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@H](O)CC1CCCCC1 ZINC000087473787 572505972 /nfs/dbraw/zinc/50/59/72/572505972.db2.gz KHEQOHRHBCZVRH-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)C[C@@H](O)CC1CCCCC1 ZINC000087473788 572506164 /nfs/dbraw/zinc/50/61/64/572506164.db2.gz KHEQOHRHBCZVRH-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@@H](O)CC1CCCCC1 ZINC000087473789 572508413 /nfs/dbraw/zinc/50/84/13/572508413.db2.gz KHEQOHRHBCZVRH-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)/C=C(/CO)C1CCCCC1 ZINC000087474802 572510286 /nfs/dbraw/zinc/51/02/86/572510286.db2.gz CZFMKOOGXJRHKQ-NASPGAHYSA-N 0 0 196.334 3.532 10 0 AHAERN CC[C@H](C)/C=C(/CO)C1CCCCC1 ZINC000087474803 572511476 /nfs/dbraw/zinc/51/14/76/572511476.db2.gz CZFMKOOGXJRHKQ-KWJWQAOWSA-N 0 0 196.334 3.532 10 0 AHAERN CC(C)(C)/C=C(/CO)C1CCCCC1 ZINC000087474830 573927369 /nfs/dbraw/zinc/92/73/69/573927369.db2.gz QBNSZFHUMMOYAV-XFXZXTDPSA-N 0 0 196.334 3.532 10 0 AHAERN CC(C)CC(=O)CCCC(C)(C)C ZINC000087521450 572549745 /nfs/dbraw/zinc/54/97/45/572549745.db2.gz CVMRLARPFZENCY-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN CC(C)CC(=O)CC1CCC(C)CC1 ZINC000087521453 572549074 /nfs/dbraw/zinc/54/90/74/572549074.db2.gz KHGQZSRCIQPSQV-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)CC(=O)CCC1CCCCC1 ZINC000087521478 572548926 /nfs/dbraw/zinc/54/89/26/572548926.db2.gz HOHGEIJCFUZXOO-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)CC(=O)CCC1CCCC1 ZINC000087521481 572547780 /nfs/dbraw/zinc/54/77/80/572547780.db2.gz BHJKTZVETARLDK-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)CC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000087521561 572548636 /nfs/dbraw/zinc/54/86/36/572548636.db2.gz NOEABSHZHRXTKM-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)CC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000087521562 572548941 /nfs/dbraw/zinc/54/89/41/572548941.db2.gz NOEABSHZHRXTKM-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)CC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000087521563 572549709 /nfs/dbraw/zinc/54/97/09/572549709.db2.gz NOEABSHZHRXTKM-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)CC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000087521564 572548500 /nfs/dbraw/zinc/54/85/00/572548500.db2.gz NOEABSHZHRXTKM-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H](C)CCC(=O)CC(C)C ZINC000087521574 572547586 /nfs/dbraw/zinc/54/75/86/572547586.db2.gz JGZXCYAWOICXDB-LLVKDONJSA-N 0 0 184.323 3.818 10 0 AHAERN CCC[C@H](C)CCC(=O)CC(C)C ZINC000087521575 572548282 /nfs/dbraw/zinc/54/82/82/572548282.db2.gz JGZXCYAWOICXDB-NSHDSACASA-N 0 0 184.323 3.818 10 0 AHAERN CC(C)C[C@H](O)CCC1CCCCC1 ZINC000087523044 572549472 /nfs/dbraw/zinc/54/94/72/572549472.db2.gz UXJRRBUEYOKORQ-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C[C@@H](O)CCC1CCCCC1 ZINC000087523046 572549640 /nfs/dbraw/zinc/54/96/40/572549640.db2.gz UXJRRBUEYOKORQ-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)CC[C@H](O)CC(C)C ZINC000087523049 572548858 /nfs/dbraw/zinc/54/88/58/572548858.db2.gz OIGDOMFSFGDKDB-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)CC[C@H](O)CC(C)C ZINC000087523051 572549584 /nfs/dbraw/zinc/54/95/84/572549584.db2.gz OIGDOMFSFGDKDB-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](C)CC[C@@H](O)CC(C)C ZINC000087523053 572549382 /nfs/dbraw/zinc/54/93/82/572549382.db2.gz OIGDOMFSFGDKDB-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)CC[C@@H](O)CC(C)C ZINC000087523055 573936428 /nfs/dbraw/zinc/93/64/28/573936428.db2.gz OIGDOMFSFGDKDB-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)C[C@H](O)CCCC(C)(C)C ZINC000087523206 572549721 /nfs/dbraw/zinc/54/97/21/572549721.db2.gz ACCMJYKYBSGRSY-LLVKDONJSA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)C[C@@H](O)CCCC(C)(C)C ZINC000087523208 572548934 /nfs/dbraw/zinc/54/89/34/572548934.db2.gz ACCMJYKYBSGRSY-NSHDSACASA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)C[C@@H](O)C[C@H]1CCC[C@@H](C)C1 ZINC000087523284 573937889 /nfs/dbraw/zinc/93/78/89/573937889.db2.gz RERZGTSTLONPMP-FRRDWIJNSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](O)C[C@@H]1CCC[C@@H](C)C1 ZINC000087523287 572548622 /nfs/dbraw/zinc/54/86/22/572548622.db2.gz RERZGTSTLONPMP-JHJVBQTASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](O)CC1CCC(C)CC1 ZINC000087523433 572549487 /nfs/dbraw/zinc/54/94/87/572549487.db2.gz UUBNOKHYHVUMCN-WXRRBKDZSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](O)CC1CCC(C)CC1 ZINC000087523435 572547944 /nfs/dbraw/zinc/54/79/44/572547944.db2.gz UUBNOKHYHVUMCN-BPCQOVAHSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1CCC(C(=O)C2(C)CC2)CC1 ZINC000087548926 573946335 /nfs/dbraw/zinc/94/63/35/573946335.db2.gz HBXBQRVGLUCONJ-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC[C@H](C(=O)C2(C)CC2)C1 ZINC000087549206 573943775 /nfs/dbraw/zinc/94/37/75/573943775.db2.gz BBXICNDVEMDUMS-MNOVXSKESA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC[C@H](C(=O)C2(C)CC2)C1 ZINC000087549208 573945632 /nfs/dbraw/zinc/94/56/32/573945632.db2.gz BBXICNDVEMDUMS-QWRGUYRKSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC[C@@H](C(=O)C2(C)CC2)C1 ZINC000087549211 573943792 /nfs/dbraw/zinc/94/37/92/573943792.db2.gz BBXICNDVEMDUMS-GHMZBOCLSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCC[C@@H](C(=O)C2(C)CC2)C1 ZINC000087549213 573944853 /nfs/dbraw/zinc/94/48/53/573944853.db2.gz BBXICNDVEMDUMS-WDEREUQCSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1C(=O)C1(C)CC1 ZINC000087549228 573945124 /nfs/dbraw/zinc/94/51/24/573945124.db2.gz CYNAUTKXDMWNOS-MNOVXSKESA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCCC[C@@H]1C(=O)C1(C)CC1 ZINC000087549230 573945280 /nfs/dbraw/zinc/94/52/80/573945280.db2.gz CYNAUTKXDMWNOS-QWRGUYRKSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCCC[C@H]1C(=O)C1(C)CC1 ZINC000087549232 573944257 /nfs/dbraw/zinc/94/42/57/573944257.db2.gz CYNAUTKXDMWNOS-GHMZBOCLSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCCC[C@H]1C(=O)C1(C)CC1 ZINC000087549234 573946384 /nfs/dbraw/zinc/94/63/84/573946384.db2.gz CYNAUTKXDMWNOS-WDEREUQCSA-N 0 0 194.318 3.572 10 0 AHAERN CCCC[C@@H](CC)CC(=O)C1(C)CC1 ZINC000087549394 572573560 /nfs/dbraw/zinc/57/35/60/572573560.db2.gz KJGKJBFLSOKQAF-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H](CC)CC(=O)C1(C)CC1 ZINC000087549397 572572943 /nfs/dbraw/zinc/57/29/43/572572943.db2.gz KJGKJBFLSOKQAF-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@@H](CC)C[C@H](O)C1(C)CC1 ZINC000087550208 572573110 /nfs/dbraw/zinc/57/31/10/572573110.db2.gz HVBLQTAQVHTBBV-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@H](O)C1(C)CC1 ZINC000087550209 572571518 /nfs/dbraw/zinc/57/15/18/572571518.db2.gz HVBLQTAQVHTBBV-RYUDHWBXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](CC)C[C@@H](O)C1(C)CC1 ZINC000087550212 572573020 /nfs/dbraw/zinc/57/30/20/572573020.db2.gz HVBLQTAQVHTBBV-VXGBXAGGSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@@H](O)C1(C)CC1 ZINC000087550214 572572335 /nfs/dbraw/zinc/57/23/35/572572335.db2.gz HVBLQTAQVHTBBV-NWDGAFQWSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1C(=O)CC1CC1 ZINC000087580865 572576285 /nfs/dbraw/zinc/57/62/85/572576285.db2.gz DOUZYLCDBLDVLC-NEPJUHHUSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCCC[C@@H]1C(=O)CC1CC1 ZINC000087580866 572576778 /nfs/dbraw/zinc/57/67/78/572576778.db2.gz DOUZYLCDBLDVLC-RYUDHWBXSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCCC[C@H]1C(=O)CC1CC1 ZINC000087580868 572574495 /nfs/dbraw/zinc/57/44/95/572574495.db2.gz DOUZYLCDBLDVLC-VXGBXAGGSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H]1CCCC[C@H]1C(=O)CC1CC1 ZINC000087580869 572576577 /nfs/dbraw/zinc/57/65/77/572576577.db2.gz DOUZYLCDBLDVLC-NWDGAFQWSA-N 0 0 194.318 3.572 10 0 AHAERN CCCC[C@@H](CC)CC(=O)CC1CC1 ZINC000087580973 572577226 /nfs/dbraw/zinc/57/72/26/572577226.db2.gz FATJLMHDXOGPGA-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H](CC)CC(=O)CC1CC1 ZINC000087580975 572574949 /nfs/dbraw/zinc/57/49/49/572574949.db2.gz FATJLMHDXOGPGA-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@@H](CC)C[C@H](O)CC1CC1 ZINC000087581443 572576075 /nfs/dbraw/zinc/57/60/75/572576075.db2.gz RVLWKPBMHGWBSL-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@H](O)CC1CC1 ZINC000087581445 572576918 /nfs/dbraw/zinc/57/69/18/572576918.db2.gz RVLWKPBMHGWBSL-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](CC)C[C@@H](O)CC1CC1 ZINC000087581447 572576483 /nfs/dbraw/zinc/57/64/83/572576483.db2.gz RVLWKPBMHGWBSL-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@@H](O)CC1CC1 ZINC000087581450 572574888 /nfs/dbraw/zinc/57/48/88/572574888.db2.gz RVLWKPBMHGWBSL-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@](C)(O)C1CCC(CC)CC1 ZINC000087648665 572643222 /nfs/dbraw/zinc/64/32/22/572643222.db2.gz OUWJBPYFWCSRLA-BPCQOVAHSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@](C)(O)C1CCC(CC)CC1 ZINC000087648666 572645646 /nfs/dbraw/zinc/64/56/46/572645646.db2.gz OUWJBPYFWCSRLA-WXRRBKDZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@](C)(O)[C@@H]1CCCC[C@@H]1CC ZINC000087648671 572645366 /nfs/dbraw/zinc/64/53/66/572645366.db2.gz PJPYZBOTPBDIOL-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@](C)(O)[C@@H]1CCCC[C@@H]1CC ZINC000087648672 572643019 /nfs/dbraw/zinc/64/30/19/572643019.db2.gz PJPYZBOTPBDIOL-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@](C)(O)[C@H]1CCCC[C@@H]1CC ZINC000087648673 572644742 /nfs/dbraw/zinc/64/47/42/572644742.db2.gz PJPYZBOTPBDIOL-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@](C)(O)[C@H]1CCCC[C@@H]1CC ZINC000087648674 572642933 /nfs/dbraw/zinc/64/29/33/572642933.db2.gz PJPYZBOTPBDIOL-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@](C)(O)C1C[C@H](C)C[C@H](C)C1 ZINC000087648717 572644731 /nfs/dbraw/zinc/64/47/31/572644731.db2.gz LCUBPLQPIINMEE-HNGCFSAESA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@](C)(O)C1C[C@H](C)C[C@H](C)C1 ZINC000087648718 572643584 /nfs/dbraw/zinc/64/35/84/572643584.db2.gz LCUBPLQPIINMEE-ZGVCCVRISA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@](C)(O)C1C[C@@H](C)C[C@H](C)C1 ZINC000087648719 573992086 /nfs/dbraw/zinc/99/20/86/573992086.db2.gz LCUBPLQPIINMEE-GVXVVHGQSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@](C)(O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000087648805 573992968 /nfs/dbraw/zinc/99/29/68/573992968.db2.gz JVSCXDIQONJIEM-LOWDOPEQSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@](C)(O)CC1CCCCC1 ZINC000087648833 572644814 /nfs/dbraw/zinc/64/48/14/572644814.db2.gz OYHYIGUNHNJPIY-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@@](C)(O)CC1CCCCC1 ZINC000087648834 572642512 /nfs/dbraw/zinc/64/25/12/572642512.db2.gz OYHYIGUNHNJPIY-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@](C)(O)[C@@H]1CCC[C@H](CC)C1 ZINC000087648845 572645733 /nfs/dbraw/zinc/64/57/33/572645733.db2.gz PLDDYSAHVVHNAS-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@](C)(O)[C@H]1CCC[C@H](CC)C1 ZINC000087648847 572643269 /nfs/dbraw/zinc/64/32/69/572643269.db2.gz PLDDYSAHVVHNAS-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@](C)(O)CCC(C)C ZINC000087648915 573990592 /nfs/dbraw/zinc/99/05/92/573990592.db2.gz BDWXFEMNJJKGAY-LBPRGKRZSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@@](C)(O)CCC(C)C ZINC000087648916 572644093 /nfs/dbraw/zinc/64/40/93/572644093.db2.gz BDWXFEMNJJKGAY-GFCCVEGCSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@](C)(O)C(CC)CC ZINC000087648923 572644514 /nfs/dbraw/zinc/64/45/14/572644514.db2.gz VHZUDBNZMMRSFA-LBPRGKRZSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@@](C)(O)C(CC)CC ZINC000087648924 572644139 /nfs/dbraw/zinc/64/41/39/572644139.db2.gz VHZUDBNZMMRSFA-GFCCVEGCSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@](C)(O)CC1CCCC1 ZINC000087648947 572645804 /nfs/dbraw/zinc/64/58/04/572645804.db2.gz ZHGAJRIBYKOFAY-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@](C)(O)CC1CCCC1 ZINC000087648948 572644010 /nfs/dbraw/zinc/64/40/10/572644010.db2.gz ZHGAJRIBYKOFAY-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@](C)(O)C[C@@H](C)CC ZINC000087648987 573992952 /nfs/dbraw/zinc/99/29/52/573992952.db2.gz DJJQXWDHCVNNGB-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@@](C)(O)C[C@@H](C)CC ZINC000087648988 572645237 /nfs/dbraw/zinc/64/52/37/572645237.db2.gz DJJQXWDHCVNNGB-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@](C)(O)C[C@H](C)CC ZINC000087648989 572643617 /nfs/dbraw/zinc/64/36/17/572643617.db2.gz DJJQXWDHCVNNGB-NEPJUHHUSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@@](C)(O)C[C@H](C)CC ZINC000087648990 572644131 /nfs/dbraw/zinc/64/41/31/572644131.db2.gz DJJQXWDHCVNNGB-VXGBXAGGSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@](C)(O)c1ccsc1 ZINC000087649083 572645547 /nfs/dbraw/zinc/64/55/47/572645547.db2.gz NGQNIXLWEXURQA-NSHDSACASA-N 0 0 198.331 3.536 10 0 AHAERN CCCCC[C@@](C)(O)c1ccsc1 ZINC000087649084 572643766 /nfs/dbraw/zinc/64/37/66/572643766.db2.gz NGQNIXLWEXURQA-LLVKDONJSA-N 0 0 198.331 3.536 10 0 AHAERN CCCCC[C@](C)(O)C1CCCCC1 ZINC000087649139 572645227 /nfs/dbraw/zinc/64/52/27/572645227.db2.gz YSBSKFHELSTQRZ-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@@](C)(O)C1CCCCC1 ZINC000087649140 572644086 /nfs/dbraw/zinc/64/40/86/572644086.db2.gz YSBSKFHELSTQRZ-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@](C)(O)C1CCCC1 ZINC000087649183 572645611 /nfs/dbraw/zinc/64/56/11/572645611.db2.gz DHDJTYXCLMECHG-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@@](C)(O)C1CCCC1 ZINC000087649184 572644450 /nfs/dbraw/zinc/64/44/50/572644450.db2.gz DHDJTYXCLMECHG-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CC(C)CC(=O)C1CCCCCCC1 ZINC000087689966 574018731 /nfs/dbraw/zinc/01/87/31/574018731.db2.gz CWCOOFXVLDGIQM-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)C1CCCCCCC1 ZINC000087689974 574018501 /nfs/dbraw/zinc/01/85/01/574018501.db2.gz VOQMNIHQWXGVBL-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN O=C(CC1CC1)C1CCCCCCC1 ZINC000087689993 574018531 /nfs/dbraw/zinc/01/85/31/574018531.db2.gz QBBDSWUXIHAXOE-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CC[C@@H](C)C(=O)C1CCCCCCC1 ZINC000087689998 574017530 /nfs/dbraw/zinc/01/75/30/574017530.db2.gz JBDVTDSCIHHDGR-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@H](C)C(=O)C1CCCCCCC1 ZINC000087689999 574017637 /nfs/dbraw/zinc/01/76/37/574017637.db2.gz JBDVTDSCIHHDGR-NSHDSACASA-N 0 0 196.334 3.962 10 0 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ZINC000088135651 572968407 /nfs/dbraw/zinc/96/84/07/572968407.db2.gz MPLZZLUNGWJDBY-UHFFFAOYSA-N 0 0 199.297 3.750 10 0 AHAERN CCC[C@@H](CC)n1c(C)c[nH]c1=S ZINC000088146577 572971365 /nfs/dbraw/zinc/97/13/65/572971365.db2.gz YXDIMVACMIYDCL-SECBINFHSA-N 0 0 198.335 3.605 10 0 AHAERN CCC[C@H](CC)n1c(C)c[nH]c1=S ZINC000088146578 572970974 /nfs/dbraw/zinc/97/09/74/572970974.db2.gz YXDIMVACMIYDCL-VIFPVBQESA-N 0 0 198.335 3.605 10 0 AHAERN CCCC[C@@H](C)n1c(C)c[nH]c1=S ZINC000088146594 572971747 /nfs/dbraw/zinc/97/17/47/572971747.db2.gz QOCVXXOISHVIED-MRVPVSSYSA-N 0 0 198.335 3.605 10 0 AHAERN CCCC[C@H](C)n1c(C)c[nH]c1=S ZINC000088146595 572970956 /nfs/dbraw/zinc/97/09/56/572970956.db2.gz QOCVXXOISHVIED-QMMMGPOBSA-N 0 0 198.335 3.605 10 0 AHAERN CCC[C@@H](CC)n1cc(C)[nH]c1=S ZINC000088154990 572970986 /nfs/dbraw/zinc/97/09/86/572970986.db2.gz WQOPWHWUBRPTNY-SECBINFHSA-N 0 0 198.335 3.605 10 0 AHAERN CCC[C@H](CC)n1cc(C)[nH]c1=S ZINC000088154995 572970946 /nfs/dbraw/zinc/97/09/46/572970946.db2.gz WQOPWHWUBRPTNY-VIFPVBQESA-N 0 0 198.335 3.605 10 0 AHAERN CCCC[C@@H](C)n1cc(C)[nH]c1=S ZINC000088155006 572971202 /nfs/dbraw/zinc/97/12/02/572971202.db2.gz UZIGCDIYXADSRG-SECBINFHSA-N 0 0 198.335 3.605 10 0 AHAERN CCCC[C@H](C)n1cc(C)[nH]c1=S ZINC000088155008 572971493 /nfs/dbraw/zinc/97/14/93/572971493.db2.gz UZIGCDIYXADSRG-VIFPVBQESA-N 0 0 198.335 3.605 10 0 AHAERN CC[C@@]1(C)C(=O)[C@H]2CCCCCC[C@H]21 ZINC000088183592 572976304 /nfs/dbraw/zinc/97/63/04/572976304.db2.gz HTIRXZYQBXAIGB-DMDPSCGWSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@]1(C)C(=O)[C@H]2CCCCCC[C@@H]21 ZINC000088183596 573103443 /nfs/dbraw/zinc/10/34/43/573103443.db2.gz HTIRXZYQBXAIGB-GMXVVIOVSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@]1(C)C(=O)[C@H]2CCCCCC[C@@H]21 ZINC000088183598 573104679 /nfs/dbraw/zinc/10/46/79/573104679.db2.gz HTIRXZYQBXAIGB-GVXVVHGQSA-N 0 0 194.318 3.572 10 0 AHAERN CCC1(CC)C(=O)[C@H]2CCCCC[C@H]21 ZINC000088183609 573103572 /nfs/dbraw/zinc/10/35/72/573103572.db2.gz YKWIAVHABKBENG-WDEREUQCSA-N 0 0 194.318 3.572 10 0 AHAERN CCC1(CC)C(=O)[C@H]2CCCCC[C@@H]21 ZINC000088183612 573104343 /nfs/dbraw/zinc/10/43/43/573104343.db2.gz YKWIAVHABKBENG-QWRGUYRKSA-N 0 0 194.318 3.572 10 0 AHAERN CCC1(CC)C(=O)[C@@H]2CCCCC[C@H]21 ZINC000088183614 573101953 /nfs/dbraw/zinc/10/19/53/573101953.db2.gz YKWIAVHABKBENG-GHMZBOCLSA-N 0 0 194.318 3.572 10 0 AHAERN CCC1(CC)C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000088183616 573103146 /nfs/dbraw/zinc/10/31/46/573103146.db2.gz YKWIAVHABKBENG-MNOVXSKESA-N 0 0 194.318 3.572 10 0 AHAERN Oc1ccccc1C1CCCCCC1 ZINC000088242195 573108568 /nfs/dbraw/zinc/10/85/68/573108568.db2.gz ZEFBTJQAIPEWER-UHFFFAOYSA-N 0 0 190.286 3.830 10 0 AHAERN Cc1cc2ccccc2n1CCC1CC1 ZINC000088493528 573121343 /nfs/dbraw/zinc/12/13/43/573121343.db2.gz OKIYULUTEWKOFD-UHFFFAOYSA-N 0 0 199.297 3.750 10 0 AHAERN CC(C)Oc1cccc2sccc21 ZINC000089195286 343672339 /nfs/dbraw/zinc/67/23/39/343672339.db2.gz GGIIKGADLBBAOE-UHFFFAOYSA-N 0 0 192.283 3.689 10 0 AHAERN CSc1cccc2sccc21 ZINC000089195291 168312608 /nfs/dbraw/zinc/31/26/08/168312608.db2.gz YXBJQBZLRIJHTN-UHFFFAOYSA-N 0 0 180.297 3.623 10 0 AHAERN CO/C=C/c1cccc2sccc21 ZINC000089195296 168074692 /nfs/dbraw/zinc/07/46/92/168074692.db2.gz DFNXFRXUEFUIGX-FNORWQNLSA-N 0 0 190.267 3.518 10 0 AHAERN CC(C)Nc1cccc2sccc21 ZINC000089195325 517447347 /nfs/dbraw/zinc/44/73/47/517447347.db2.gz FTDWFVIFSIGUDT-UHFFFAOYSA-N 0 0 191.299 3.722 10 0 AHAERN C=Cc1ccc2sccc2c1 ZINC000089195337 166223228 /nfs/dbraw/zinc/22/32/28/166223228.db2.gz ISTWCYUBZZSDRK-UHFFFAOYSA-N 0 0 160.241 3.544 10 0 AHAERN CO/C=C/c1ccc2sccc2c1 ZINC000089195360 168075750 /nfs/dbraw/zinc/07/57/50/168075750.db2.gz YINQMVBLSRBVAJ-GQCTYLIASA-N 0 0 190.267 3.518 10 0 AHAERN CSc1ccc2ccsc2c1 ZINC000089195394 168312165 /nfs/dbraw/zinc/31/21/65/168312165.db2.gz BGQQDEBLQKPBLS-UHFFFAOYSA-N 0 0 180.297 3.623 10 0 AHAERN CC(C)Oc1ccc2ccsc2c1 ZINC000089195403 343672324 /nfs/dbraw/zinc/67/23/24/343672324.db2.gz AKVJHHXJQKPYRY-UHFFFAOYSA-N 0 0 192.283 3.689 10 0 AHAERN CC(C)=CCc1c2[nH]ccc2ccc1C ZINC000089209123 166420137 /nfs/dbraw/zinc/42/01/37/166420137.db2.gz OUHKIDMBURBXFW-UHFFFAOYSA-N 0 0 199.297 3.985 10 0 AHAERN CC[C@@H](C)c1cccc2cc[nH]c21 ZINC000089209228 167496406 /nfs/dbraw/zinc/49/64/06/167496406.db2.gz PZUOGCBFPWWEFD-SECBINFHSA-N 0 0 173.259 3.681 10 0 AHAERN CC[C@H](C)c1cccc2cc[nH]c21 ZINC000089209230 167633769 /nfs/dbraw/zinc/63/37/69/167633769.db2.gz PZUOGCBFPWWEFD-VIFPVBQESA-N 0 0 173.259 3.681 10 0 AHAERN c1cc2cccc(C3CCCC3)c2[nH]1 ZINC000089209261 171133906 /nfs/dbraw/zinc/13/39/06/171133906.db2.gz STRQPCLUAAMLCQ-UHFFFAOYSA-N 0 0 185.270 3.826 10 0 AHAERN CCCCc1cccc2cc[nH]c21 ZINC000089209286 343673351 /nfs/dbraw/zinc/67/33/51/343673351.db2.gz CHYVVZVESWDBBZ-UHFFFAOYSA-N 0 0 173.259 3.511 10 0 AHAERN CCCCCc1cccc2cc[nH]c21 ZINC000089209337 343673190 /nfs/dbraw/zinc/67/31/90/343673190.db2.gz LPWSUIDFDZRXIB-UHFFFAOYSA-N 0 0 187.286 3.901 10 0 AHAERN CCC(C)(C)c1cccc(C)c1 ZINC000090157458 631159891 /nfs/dbraw/zinc/15/98/91/631159891.db2.gz SRZKRVODMYDAKF-UHFFFAOYSA-N 0 0 162.276 3.683 10 0 AHAERN CC(C)C/C=C\c1ccccc1 ZINC000090212099 343674320 /nfs/dbraw/zinc/67/43/20/343674320.db2.gz GQEFPXSNRRKUHO-POHAHGRESA-N 0 0 160.260 3.746 10 0 AHAERN CC(C)C/C=C/c1ccccc1 ZINC000090212100 343674484 /nfs/dbraw/zinc/67/44/84/343674484.db2.gz GQEFPXSNRRKUHO-UXBLZVDNSA-N 0 0 160.260 3.746 10 0 AHAERN C/C=C/c1ccccc1OC(C)C ZINC000090373314 343675180 /nfs/dbraw/zinc/67/51/80/343675180.db2.gz MKFDNRRBDDXYFM-QPJJXVBHSA-N 0 0 176.259 3.507 10 0 AHAERN C/C=C/Oc1ccccc1O/C=C\C ZINC000090373375 572442427 /nfs/dbraw/zinc/44/24/27/572442427.db2.gz UUMSENYAPRFIJD-INWPEIIHSA-N 0 0 190.242 3.511 10 0 AHAERN C/C=C/Oc1ccccc1O/C=C/C ZINC000090373376 572443336 /nfs/dbraw/zinc/44/33/36/572443336.db2.gz UUMSENYAPRFIJD-LQIBPGRFSA-N 0 0 190.242 3.511 10 0 AHAERN Cc1cc(C)cc(Cc2ccccc2)c1 ZINC000090376649 343675200 /nfs/dbraw/zinc/67/52/00/343675200.db2.gz RZCMUIOJBYCKPG-UHFFFAOYSA-N 0 0 196.293 3.894 10 0 AHAERN CCc1ccc(C)c(C(C)C)c1 ZINC000090415490 343675707 /nfs/dbraw/zinc/67/57/07/343675707.db2.gz CSMUUPOPBFRMIM-UHFFFAOYSA-N 0 0 162.276 3.681 10 0 AHAERN CCCC/C=C\c1ccc(C)o1 ZINC000090416633 166836609 /nfs/dbraw/zinc/83/66/09/166836609.db2.gz CHOYUBKBZYJEOG-SREVYHEPSA-N 0 0 164.248 3.791 10 0 AHAERN CCCC[C@H](C)CCC[C@H](C)CO ZINC000090416711 572451940 /nfs/dbraw/zinc/45/19/40/572451940.db2.gz RUEFUQTUVBKNTH-RYUDHWBXSA-N 0 0 186.339 3.611 10 0 AHAERN CCCc1c2ccccc2[nH]c1CC ZINC000090416963 167098511 /nfs/dbraw/zinc/09/85/11/167098511.db2.gz JHZBMACTRVXOOB-UHFFFAOYSA-N 0 0 187.286 3.683 10 0 AHAERN CCCC[C@@H](CC)[C@H](O)CC(C)C ZINC000090425789 573591200 /nfs/dbraw/zinc/59/12/00/573591200.db2.gz NKNLYMNBGGJXPI-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](CC)[C@H](O)CC(C)C ZINC000090425792 573593786 /nfs/dbraw/zinc/59/37/86/573593786.db2.gz NKNLYMNBGGJXPI-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@@H](CC)[C@@H](O)CC(C)C ZINC000090425795 573594160 /nfs/dbraw/zinc/59/41/60/573594160.db2.gz NKNLYMNBGGJXPI-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](CC)[C@@H](O)CC(C)C ZINC000090425796 573594691 /nfs/dbraw/zinc/59/46/91/573594691.db2.gz NKNLYMNBGGJXPI-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCC[C@@H](CC)CC(C)=O ZINC000090428179 572458682 /nfs/dbraw/zinc/45/86/82/572458682.db2.gz FWXVWEDNHIKYME-LLVKDONJSA-N 0 0 170.296 3.572 10 0 AHAERN C=C(OC)c1ccc(C(C)(C)C)cc1 ZINC000090512506 343676382 /nfs/dbraw/zinc/67/63/82/343676382.db2.gz XLWDGSQNEGLTIJ-UHFFFAOYSA-N 0 0 190.286 3.601 10 0 AHAERN FC(Br)=C1CCCCC1 ZINC000090557319 537944186 /nfs/dbraw/zinc/94/41/86/537944186.db2.gz IYRLNKNOKUVPKQ-UHFFFAOYSA-N 0 0 193.059 3.527 10 0 AHAERN C/C=C\c1cc(-c2ccc(C)cc2)no1 ZINC000090628894 166069488 /nfs/dbraw/zinc/06/94/88/166069488.db2.gz GYFMMZADHLQWIY-ARJAWSKDSA-N 0 0 199.253 3.683 10 0 AHAERN C/C=C/c1cc(-c2ccc(C)cc2)no1 ZINC000090628895 166067025 /nfs/dbraw/zinc/06/70/25/166067025.db2.gz GYFMMZADHLQWIY-ONEGZZNKSA-N 0 0 199.253 3.683 10 0 AHAERN C/C=C/CCC1SCCCS1 ZINC000090628923 343676416 /nfs/dbraw/zinc/67/64/16/343676416.db2.gz BUYFGQKVMFDVEF-NSCUHMNNSA-N 0 0 188.361 3.539 10 0 AHAERN CC(C)c1ccc2ccc(O)cc2c1 ZINC000090714320 537943387 /nfs/dbraw/zinc/94/33/87/537943387.db2.gz SYKXOPOCSMKJTH-UHFFFAOYSA-N 0 0 186.254 3.669 10 0 AHAERN C1C[C@@H]2CCCC3CCC[C@@H]1C23 ZINC000090751171 166085374 /nfs/dbraw/zinc/08/53/74/166085374.db2.gz FZDZWLDRELLWNN-YECOWLKZSA-N 0 0 164.292 3.613 10 0 AHAERN C1C[C@H]2CCCC3CCC[C@H]1C23 ZINC000090751173 166086065 /nfs/dbraw/zinc/08/60/65/166086065.db2.gz FZDZWLDRELLWNN-BFUDSRACSA-N 0 0 164.292 3.613 10 0 AHAERN c1ccc(C2Cc3ccccc3C2)cc1 ZINC000090751466 171105585 /nfs/dbraw/zinc/10/55/85/171105585.db2.gz PZZIWXQGJNDBRF-UHFFFAOYSA-N 0 0 194.277 3.569 10 0 AHAERN CC(C)C1=C(c2ccccc2)CC1 ZINC000090764698 351665249 /nfs/dbraw/zinc/66/52/49/351665249.db2.gz CNOWCTPMFRPYJT-UHFFFAOYSA-N 0 0 172.271 3.890 10 0 AHAERN CC(C)C1=Cc2c(cccc2Cl)C1 ZINC000090764725 351665316 /nfs/dbraw/zinc/66/53/16/351665316.db2.gz VDFIGYCUOGDOPV-UHFFFAOYSA-N 0 0 192.689 3.936 10 0 AHAERN CC(C)c1c[nH]c(-c2ccccc2)c1 ZINC000090764847 166626745 /nfs/dbraw/zinc/62/67/45/166626745.db2.gz ZEURQUOSGKWXSY-UHFFFAOYSA-N 0 0 185.270 3.805 10 0 AHAERN CC(C)c1ccc(CC2CC2)cc1 ZINC000090765545 166632028 /nfs/dbraw/zinc/63/20/28/166632028.db2.gz KVMOTHCHDQXFGM-UHFFFAOYSA-N 0 0 174.287 3.763 10 0 AHAERN CC(C)Cc1cc2ccc(F)cc2[nH]1 ZINC000090767586 166501078 /nfs/dbraw/zinc/50/10/78/166501078.db2.gz LRQGQNUCAOYDFU-UHFFFAOYSA-N 0 0 191.249 3.506 10 0 AHAERN CC(C)Cc1ccc(C(C)(F)F)cc1 ZINC000090767656 573208813 /nfs/dbraw/zinc/20/88/13/573208813.db2.gz GBENDOBVVLHMQZ-UHFFFAOYSA-N 0 0 198.256 3.997 10 0 AHAERN CCC[C@@](F)(Cl)C(F)(F)Cl ZINC000091251899 167057706 /nfs/dbraw/zinc/05/77/06/167057706.db2.gz OIIDGVNKDVSPHP-BYPYZUCNSA-N 0 0 195.011 3.523 10 0 AHAERN c1ccc(-c2ccc(C3CC3)cn2)cc1 ZINC000091366420 169474691 /nfs/dbraw/zinc/47/46/91/169474691.db2.gz DBAWNTMXTAWYKC-UHFFFAOYSA-N 0 0 195.265 3.626 10 0 AHAERN Clc1ccc2cc(Cl)ncc2c1 ZINC000095628668 169023997 /nfs/dbraw/zinc/02/39/97/169023997.db2.gz AIVIPOZILKFREN-UHFFFAOYSA-N 0 0 198.052 3.542 10 0 AHAERN Fc1ccc(-c2ccccc2)cc1F ZINC000095635476 169082293 /nfs/dbraw/zinc/08/22/93/169082293.db2.gz PJJANBBRYLUXRA-UHFFFAOYSA-N 0 0 190.192 3.632 10 0 AHAERN CC(C)c1ccc(C(C)(C)C)cc1O ZINC000095710366 166629143 /nfs/dbraw/zinc/62/91/43/166629143.db2.gz YQPCUFZUZZXPAC-UHFFFAOYSA-N 0 0 192.302 3.813 10 0 AHAERN Cc1ccc(C(C)C)cc1OC1CC1 ZINC000095719762 168801719 /nfs/dbraw/zinc/80/17/19/168801719.db2.gz UYICGLNJDODHHC-UHFFFAOYSA-N 0 0 190.286 3.660 10 0 AHAERN CC(C)(C)c1ccc(OC2CC2)cc1 ZINC000095720173 166383244 /nfs/dbraw/zinc/38/32/44/166383244.db2.gz JPSKAWOFFWSXIU-UHFFFAOYSA-N 0 0 190.286 3.525 10 0 AHAERN CC(C)(C)c1cccc(OC2CC2)c1 ZINC000095721044 166386243 /nfs/dbraw/zinc/38/62/43/166386243.db2.gz TXMTXUOAOFPLHP-UHFFFAOYSA-N 0 0 190.286 3.525 10 0 AHAERN Oc1ccc(CC2CCCCC2)cc1 ZINC000095721683 171137451 /nfs/dbraw/zinc/13/74/51/171137451.db2.gz YCSVMCYCFDEOMM-UHFFFAOYSA-N 0 0 190.286 3.515 10 0 AHAERN CC(C)(C)c1ccccc1OC1CC1 ZINC000095722628 166386004 /nfs/dbraw/zinc/38/60/04/166386004.db2.gz RTPRIPBCKAFLTF-UHFFFAOYSA-N 0 0 190.286 3.525 10 0 AHAERN Cc1cc(OC2CC2)cc(C(C)C)c1 ZINC000095723919 168775331 /nfs/dbraw/zinc/77/53/31/168775331.db2.gz SOPOGMKJOVYYAO-UHFFFAOYSA-N 0 0 190.286 3.660 10 0 AHAERN Cc1ccc(OC2CC2)c(C(C)C)c1 ZINC000095724044 168828875 /nfs/dbraw/zinc/82/88/75/168828875.db2.gz WMTNUPOVAKNMFB-UHFFFAOYSA-N 0 0 190.286 3.660 10 0 AHAERN Cc1cccc(OC2CC2)c1C(C)C ZINC000095727039 168871758 /nfs/dbraw/zinc/87/17/58/168871758.db2.gz KFCZIQXXYUHIKA-UHFFFAOYSA-N 0 0 190.286 3.660 10 0 AHAERN C[C@@H]1CCC[C@H]2CCCC[C@H]12 ZINC000095742438 573558816 /nfs/dbraw/zinc/55/88/16/573558816.db2.gz NHCREQREVZBOCH-GMTAPVOTSA-N 0 0 152.281 3.613 10 0 AHAERN COc1ccc2cccc(Cl)c2c1 ZINC000095751915 168264696 /nfs/dbraw/zinc/26/46/96/168264696.db2.gz JDSWHTLMVDIJJD-UHFFFAOYSA-N 0 0 192.645 3.502 10 0 AHAERN CC1=C(C(C)C)CCCC1 ZINC000095754198 573563666 /nfs/dbraw/zinc/56/36/66/573563666.db2.gz JXMFWIFYAPYINL-UHFFFAOYSA-N 0 0 138.254 3.533 10 0 AHAERN Clc1ccnc(C2CCCCC2)c1 ZINC000095775764 169025167 /nfs/dbraw/zinc/02/51/67/169025167.db2.gz WZEFVENVLHQTMB-UHFFFAOYSA-N 0 0 195.693 3.783 10 0 AHAERN C[C@@H]1CC(C)(C)Nc2cc(F)ccc21 ZINC000095829532 351673731 /nfs/dbraw/zinc/67/37/31/351673731.db2.gz YSWZQEZZAZXWAM-MRVPVSSYSA-N 0 0 193.265 3.523 10 0 AHAERN C[C@H]1CC(C)(C)Nc2cc(F)ccc21 ZINC000095829534 343688148 /nfs/dbraw/zinc/68/81/48/343688148.db2.gz YSWZQEZZAZXWAM-QMMMGPOBSA-N 0 0 193.265 3.523 10 0 AHAERN CCCCCCc1csc(C=O)c1 ZINC000095830640 343688250 /nfs/dbraw/zinc/68/82/50/343688250.db2.gz XZSDWKHOEIKBDB-UHFFFAOYSA-N 0 0 196.315 3.683 10 0 AHAERN C/C=C/CC/C=C\CC/C=C/C ZINC000095908692 572337044 /nfs/dbraw/zinc/33/70/44/572337044.db2.gz ACQVWRUTZROQFO-CTNRTODXSA-N 0 0 162.276 3.884 10 0 AHAERN CCC1(CC)CCC12CCC2 ZINC000095921454 343690054 /nfs/dbraw/zinc/69/00/54/343690054.db2.gz LKIAUQDHZNKYCY-UHFFFAOYSA-N 0 0 152.281 3.757 10 0 AHAERN Cc1ccc(C(C)C)c(C)c1C ZINC000095922475 168802213 /nfs/dbraw/zinc/80/22/13/168802213.db2.gz QHOPYXBAXVDHDW-UHFFFAOYSA-N 0 0 162.276 3.735 10 0 AHAERN CCc1c(C)cccc1C(C)C ZINC000095924241 343690795 /nfs/dbraw/zinc/69/07/95/343690795.db2.gz QQZMJEYEIPPFHH-UHFFFAOYSA-N 0 0 162.276 3.681 10 0 AHAERN CCc1cc(C)ccc1C(C)C ZINC000095924242 343690509 /nfs/dbraw/zinc/69/05/09/343690509.db2.gz VYQWKXMBHSGIFX-UHFFFAOYSA-N 0 0 162.276 3.681 10 0 AHAERN CCc1cc(C(C)C)ccc1C ZINC000095924243 343690617 /nfs/dbraw/zinc/69/06/17/343690617.db2.gz HYJZTIMDJXKZAC-UHFFFAOYSA-N 0 0 162.276 3.681 10 0 AHAERN CCc1ccc(C(C)C)c(C)c1 ZINC000095924244 343690540 /nfs/dbraw/zinc/69/05/40/343690540.db2.gz VBCQDMIBFLXMMZ-UHFFFAOYSA-N 0 0 162.276 3.681 10 0 AHAERN CC(C)[C@H]1[C@@H](C)[C@H]1c1ccccc1 ZINC000095924564 343690713 /nfs/dbraw/zinc/69/07/13/343690713.db2.gz KPCPBTATTLEVKD-WXHSDQCUSA-N 0 0 174.287 3.692 10 0 AHAERN Cc1c2cc(F)ccc2[nH]c1C(F)F ZINC000095930908 573579204 /nfs/dbraw/zinc/57/92/04/573579204.db2.gz LFCBAPIMKRYKSS-UHFFFAOYSA-N 0 0 199.175 3.553 10 0 AHAERN CCCc1cc2cc(Cl)ccc2[nH]1 ZINC000095930911 167103150 /nfs/dbraw/zinc/10/31/50/167103150.db2.gz WYZMWTGGGQNRKI-UHFFFAOYSA-N 0 0 193.677 3.774 10 0 AHAERN CCCc1[nH]c2ccc(F)cc2c1C ZINC000095930920 167095258 /nfs/dbraw/zinc/09/52/58/167095258.db2.gz SALXYQYIJALXLH-UHFFFAOYSA-N 0 0 191.249 3.568 10 0 AHAERN CC[C@H](O)C[C@@H](C)CCCC(C)C ZINC000095933080 343691168 /nfs/dbraw/zinc/69/11/68/343691168.db2.gz IAMDHPUVYSKJSO-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H](O)C[C@@H](C)CCCC(C)C ZINC000095933081 343691196 /nfs/dbraw/zinc/69/11/96/343691196.db2.gz IAMDHPUVYSKJSO-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](O)C[C@H](C)CCCC(C)C ZINC000095933082 343691253 /nfs/dbraw/zinc/69/12/53/343691253.db2.gz IAMDHPUVYSKJSO-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](O)[C@@H](C)CCCC(C)C ZINC000095933083 167085285 /nfs/dbraw/zinc/08/52/85/167085285.db2.gz ZRTPUWXJHKZRAU-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](O)[C@@H](C)CCCC(C)C ZINC000095933084 167050474 /nfs/dbraw/zinc/05/04/74/167050474.db2.gz ZRTPUWXJHKZRAU-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](O)[C@H](C)CCCC(C)C ZINC000095933085 167085876 /nfs/dbraw/zinc/08/58/76/167085876.db2.gz ZRTPUWXJHKZRAU-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](O)[C@H](C)CCCC(C)C ZINC000095933086 167051607 /nfs/dbraw/zinc/05/16/07/167051607.db2.gz ZRTPUWXJHKZRAU-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)CCCc1ccccc1 ZINC000095934450 351677481 /nfs/dbraw/zinc/67/74/81/351677481.db2.gz SUMOGCZUNXXYRP-UHFFFAOYSA-N 0 0 162.276 3.665 10 0 AHAERN C[C@@H](CC(F)(F)F)c1ccccc1 ZINC000096102482 168335248 /nfs/dbraw/zinc/33/52/48/168335248.db2.gz YUWKQOYRBASKNG-QMMMGPOBSA-N 0 0 188.192 3.743 10 0 AHAERN C[C@H](CC(F)(F)F)c1ccccc1 ZINC000096102483 168522658 /nfs/dbraw/zinc/52/26/58/168522658.db2.gz YUWKQOYRBASKNG-MRVPVSSYSA-N 0 0 188.192 3.743 10 0 AHAERN C[C@@H]1CCC(F)(F)c2ccccc21 ZINC000096102492 351679717 /nfs/dbraw/zinc/67/97/17/351679717.db2.gz PSWHARRUUONFLU-MRVPVSSYSA-N 0 0 182.213 3.676 10 0 AHAERN C[C@H]1CCC(F)(F)c2ccccc21 ZINC000096102493 168596475 /nfs/dbraw/zinc/59/64/75/168596475.db2.gz PSWHARRUUONFLU-QMMMGPOBSA-N 0 0 182.213 3.676 10 0 AHAERN c1ccc2cc3c(cc2c1)CCCC3 ZINC000096328412 351680387 /nfs/dbraw/zinc/68/03/87/351680387.db2.gz XBDYBAVJXHJMNQ-UHFFFAOYSA-N 0 0 182.266 3.719 10 0 AHAERN CC1=CCC(Cc2ccccc2)=C1 ZINC000096330819 166722117 /nfs/dbraw/zinc/72/21/17/166722117.db2.gz UYDFRXOJNZGRBH-UHFFFAOYSA-N 0 0 170.255 3.506 10 0 AHAERN CCC[C@@H](C)CCC(C)C ZINC000096332275 343696793 /nfs/dbraw/zinc/69/67/93/343696793.db2.gz HOAAQUNESXYFDT-SNVBAGLBSA-N 0 0 142.286 3.859 10 0 AHAERN CCC[C@H](C)CCC(C)C ZINC000096332276 343696660 /nfs/dbraw/zinc/69/66/60/343696660.db2.gz HOAAQUNESXYFDT-JTQLQIEISA-N 0 0 142.286 3.859 10 0 AHAERN CCCCOCc1ccc(C)cc1C ZINC000096541956 573631018 /nfs/dbraw/zinc/63/10/18/573631018.db2.gz AMGFHDQJUVDBFF-UHFFFAOYSA-N 0 0 192.302 3.620 10 0 AHAERN Cc1ccc2cc(Cl)ccc2c1 ZINC000096675139 168852656 /nfs/dbraw/zinc/85/26/56/168852656.db2.gz WBIAGGDFPTWSBH-UHFFFAOYSA-N 0 0 176.646 3.802 10 0 AHAERN CC1=CC2=CCC=CC(=CC(C)=C1)C2 ZINC000096833183 343701573 /nfs/dbraw/zinc/70/15/73/343701573.db2.gz HDIZNRKBEDQVSX-UHFFFAOYSA-N 0 0 183.274 3.910 10 0 AHAERN Cc1cccc(-c2cc(C)ccc2O)c1 ZINC000096868436 573653008 /nfs/dbraw/zinc/65/30/08/573653008.db2.gz JSDWNLIGPHNVRA-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN C/C(=C/Cl)COc1ccc(C)cc1 ZINC000098038199 166049795 /nfs/dbraw/zinc/04/97/95/166049795.db2.gz YHUJZJNPGYHCSI-YFHOEESVSA-N 0 0 196.677 3.516 10 0 AHAERN C=Cc1ccc(CCCC)cc1C ZINC000098179197 166223204 /nfs/dbraw/zinc/22/32/04/166223204.db2.gz OJQGOGRZNQQPHZ-UHFFFAOYSA-N 0 0 174.287 3.981 10 0 AHAERN Cc1cccc(-c2ccccc2C)c1N ZINC000098179447 573712091 /nfs/dbraw/zinc/71/20/91/573712091.db2.gz LGWBADYROKZAGL-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1cc(C)c(N)c(-c2ccccc2)c1 ZINC000098179448 343706029 /nfs/dbraw/zinc/70/60/29/343706029.db2.gz MWSUWIDMVCZNPR-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1c(C)c(C)c(Cl)c(F)c1C ZINC000098179931 573918111 /nfs/dbraw/zinc/91/81/11/573918111.db2.gz QVDAIFKGYWZJNP-UHFFFAOYSA-N 0 0 186.657 3.713 10 0 AHAERN Cc1cc2cc(Cl)ccc2nc1C ZINC000098181218 168788359 /nfs/dbraw/zinc/78/83/59/168788359.db2.gz DFECZSOVQYAMGB-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CCc1cc(Cl)c(C)cc1Cl ZINC000098192392 343707249 /nfs/dbraw/zinc/70/72/49/343707249.db2.gz SFRGSVIRIBGYSM-UHFFFAOYSA-N 0 0 189.085 3.864 10 0 AHAERN CCCCCC(F)(F)C(F)(F)F ZINC000098210373 166848290 /nfs/dbraw/zinc/84/82/90/166848290.db2.gz YMNLYYZYAGQZLM-UHFFFAOYSA-N 0 0 190.155 3.764 10 0 AHAERN CCC/C=C/C(F)(F)C(F)(F)F ZINC000098210404 171142973 /nfs/dbraw/zinc/14/29/73/171142973.db2.gz OKZFBHASCZELTH-SNAWJCMRSA-N 0 0 188.139 3.540 10 0 AHAERN CC(C)N[C@@H](C(C)C)C1CCCCC1 ZINC000100046926 343709753 /nfs/dbraw/zinc/70/97/53/343709753.db2.gz SJTCDPQJUBGRCF-ZDUSSCGKSA-N 0 0 196.358 3.604 10 0 AHAERN CC(C)N[C@H](C(C)C)C1CCCCC1 ZINC000100046930 343709796 /nfs/dbraw/zinc/70/97/96/343709796.db2.gz SJTCDPQJUBGRCF-CYBMUJFWSA-N 0 0 196.358 3.604 10 0 AHAERN CN(c1ccccc1)C1=CCCCC1 ZINC000100056462 573705988 /nfs/dbraw/zinc/70/59/88/573705988.db2.gz GNROSMHJEUZVFQ-UHFFFAOYSA-N 0 0 187.286 3.581 10 0 AHAERN C1=c2ccccc2=C2C=CCC=C12 ZINC000100216014 574035587 /nfs/dbraw/zinc/03/55/87/574035587.db2.gz HBKSMXZETHGHQU-UHFFFAOYSA-N 0 0 165.215 3.712 10 0 AHAERN CC12CC3CC(C1)CC(C)(C3)C2 ZINC000100652151 572014051 /nfs/dbraw/zinc/01/40/51/572014051.db2.gz OETQETPEKHITLH-RYUDHWBXSA-N 0 0 163.284 3.571 10 0 AHAERN C1=CC[C@@]23CC[C@@]2(C1)CCCC3 ZINC000101036683 166076724 /nfs/dbraw/zinc/07/67/24/166076724.db2.gz XKPMOIBNQWMLPE-VXGBXAGGSA-N 0 0 162.276 3.677 10 0 AHAERN CCCCCCC[C@H](C)C(C)=O ZINC000101104847 343722568 /nfs/dbraw/zinc/72/25/68/343722568.db2.gz FDWHLPGJOOGJDD-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CCCCCCC[C@@H](C)C(C)=O ZINC000101104852 343722604 /nfs/dbraw/zinc/72/26/04/343722604.db2.gz FDWHLPGJOOGJDD-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN c1ccc(C23CCC(CC2)C3)cc1 ZINC000101260236 573861753 /nfs/dbraw/zinc/86/17/53/573861753.db2.gz JAFSQQAOPCFETI-UHFFFAOYSA-N 0 0 172.271 3.518 10 0 AHAERN C=Cc1ccc(OC2CCCC2)cc1 ZINC000101440139 573868364 /nfs/dbraw/zinc/86/83/64/573868364.db2.gz IJLMFICSZNHODC-UHFFFAOYSA-N 0 0 188.270 3.651 10 0 AHAERN CCCCCOC1CCCCC1 ZINC000101589302 343724225 /nfs/dbraw/zinc/72/42/25/343724225.db2.gz KKFGCCGNJHIIII-UHFFFAOYSA-N 0 0 170.296 3.526 10 0 AHAERN CCCC(CCC)C(C)C ZINC000101782991 573878265 /nfs/dbraw/zinc/87/82/65/573878265.db2.gz AZLAWGCUDHUQDB-UHFFFAOYSA-N 0 0 142.286 3.859 10 0 AHAERN CCC(C)(C)c1nc2ccccc2o1 ZINC000102159404 573892906 /nfs/dbraw/zinc/89/29/06/573892906.db2.gz XURJJPYCKYQTBM-UHFFFAOYSA-N 0 0 189.258 3.515 10 0 AHAERN CC(C)(C)c1ccccc1Cl ZINC000102263091 573896525 /nfs/dbraw/zinc/89/65/25/573896525.db2.gz HMRNLPCZVBVKLZ-UHFFFAOYSA-N 0 0 168.667 3.638 10 0 AHAERN CC(C)c1ccc2ccccc2c1O ZINC000102286245 573897859 /nfs/dbraw/zinc/89/78/59/573897859.db2.gz ISYHTRCUHPOGCS-UHFFFAOYSA-N 0 0 186.254 3.669 10 0 AHAERN Cc1c(C(C)C)cc(N)cc1C(C)C ZINC000103016847 573914500 /nfs/dbraw/zinc/91/45/00/573914500.db2.gz GAAYGDKJPSEKOS-UHFFFAOYSA-N 0 0 191.318 3.824 10 0 AHAERN O=C1CC(C2CCCCC2)=CS1 ZINC000103628116 171147548 /nfs/dbraw/zinc/14/75/48/171147548.db2.gz UTOVOTILUYBLQC-UHFFFAOYSA-N 0 0 182.288 3.501 10 0 AHAERN CC1CC(C)(C)CC(C)(C)C1 ZINC000104368870 343730988 /nfs/dbraw/zinc/73/09/88/343730988.db2.gz AUBOCPGIGWSTNB-UHFFFAOYSA-N 0 0 154.297 3.859 10 0 AHAERN CC(C)C1=CCCCCC1 ZINC000104391714 573971888 /nfs/dbraw/zinc/97/18/88/573971888.db2.gz KTLJXRGLODFJIG-UHFFFAOYSA-N 0 0 138.254 3.533 10 0 AHAERN CC(C)(C)C=C1CCCC1 ZINC000104392831 343731453 /nfs/dbraw/zinc/73/14/53/343731453.db2.gz UCTNSYPJLIEZKK-UHFFFAOYSA-N 0 0 138.254 3.533 10 0 AHAERN CC(C)=Cc1cc(C)ccc1C ZINC000104395478 573971851 /nfs/dbraw/zinc/97/18/51/573971851.db2.gz HYNYTUUEUDSLEH-UHFFFAOYSA-N 0 0 160.260 3.727 10 0 AHAERN Cc1cccc2[nH]c(C3(C)CC3)cc21 ZINC000104396569 573972477 /nfs/dbraw/zinc/97/24/77/573972477.db2.gz LVQWXAAFICFPLK-UHFFFAOYSA-N 0 0 185.270 3.528 10 0 AHAERN C=C=C(c1ccccc1)C(C)C ZINC000104398112 166151460 /nfs/dbraw/zinc/15/14/60/166151460.db2.gz SPKQMFLFHQZXCH-UHFFFAOYSA-N 0 0 158.244 3.511 10 0 AHAERN C=C=C(c1ccccc1)C(C)(C)C ZINC000104398468 166151565 /nfs/dbraw/zinc/15/15/65/166151565.db2.gz JWUNBQWEWNQAQO-UHFFFAOYSA-N 0 0 172.271 3.901 10 0 AHAERN C=C=C(c1ccccc1C)C(C)C ZINC000104398478 573974230 /nfs/dbraw/zinc/97/42/30/573974230.db2.gz QYXKORWOFJDXLG-UHFFFAOYSA-N 0 0 172.271 3.819 10 0 AHAERN C=C=C(c1cccc(C)c1)C(C)C ZINC000104398753 573973383 /nfs/dbraw/zinc/97/33/83/573973383.db2.gz GBHMTFAWVDIZSW-UHFFFAOYSA-N 0 0 172.271 3.819 10 0 AHAERN C=C=C(c1ccc(C)cc1)C(C)C ZINC000104398756 573973378 /nfs/dbraw/zinc/97/33/78/573973378.db2.gz UDTHEDMEPVWDNP-UHFFFAOYSA-N 0 0 172.271 3.819 10 0 AHAERN C=C=C(c1ccccc1OC)C(C)C ZINC000104399005 573973917 /nfs/dbraw/zinc/97/39/17/573973917.db2.gz ROWVTZKXKRGEMN-UHFFFAOYSA-N 0 0 188.270 3.520 10 0 AHAERN C=C=C(c1cccc(OC)c1)C(C)C ZINC000104399008 573974665 /nfs/dbraw/zinc/97/46/65/573974665.db2.gz WXWDRMPLQCDBAX-UHFFFAOYSA-N 0 0 188.270 3.520 10 0 AHAERN C=C=C(c1ccc(OC)cc1)C(C)C ZINC000104399352 573980517 /nfs/dbraw/zinc/98/05/17/573980517.db2.gz IKWAOKGAYSFUDG-UHFFFAOYSA-N 0 0 188.270 3.520 10 0 AHAERN C=C=C(c1ccccc1F)C(C)C ZINC000104399361 573978518 /nfs/dbraw/zinc/97/85/18/573978518.db2.gz BCHSPZDDYNEZNQ-UHFFFAOYSA-N 0 0 176.234 3.650 10 0 AHAERN C=C=C(c1cccc(F)c1)C(C)C ZINC000104399369 573978852 /nfs/dbraw/zinc/97/88/52/573978852.db2.gz AHLNPJWNTIEOPH-UHFFFAOYSA-N 0 0 176.234 3.650 10 0 AHAERN CC1(c2ccc(Cl)cc2)CCC1 ZINC000104404693 573979216 /nfs/dbraw/zinc/97/92/16/573979216.db2.gz KZAJXRWTUCXGKE-UHFFFAOYSA-N 0 0 180.678 3.782 10 0 AHAERN CCc1nc2cccc(Cl)c2s1 ZINC000104457010 573988993 /nfs/dbraw/zinc/98/89/93/573988993.db2.gz ZYEWUNZUULVNGS-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN Cc1cccc2nc(C(C)C)sc21 ZINC000104458458 573989226 /nfs/dbraw/zinc/98/92/26/573989226.db2.gz OQWARFKLMZKZFQ-UHFFFAOYSA-N 0 0 191.299 3.728 10 0 AHAERN C=Cc1ccc(CCCC)cc1 ZINC000104461520 166223082 /nfs/dbraw/zinc/22/30/82/166223082.db2.gz QOVCUELHTLHMEN-UHFFFAOYSA-N 0 0 160.260 3.672 10 0 AHAERN CC(C)c1nc2c(cccc2F)s1 ZINC000104461626 573988400 /nfs/dbraw/zinc/98/84/00/573988400.db2.gz GCHQIYMXRRZELW-UHFFFAOYSA-N 0 0 195.262 3.559 10 0 AHAERN c1[nH]c2ccccc2c1C1CCCC1 ZINC000104462215 573991275 /nfs/dbraw/zinc/99/12/75/573991275.db2.gz CODQEEVNEGRRSZ-UHFFFAOYSA-N 0 0 185.270 3.826 10 0 AHAERN CC(C)c1nc2cccc(F)c2s1 ZINC000104462652 573991931 /nfs/dbraw/zinc/99/19/31/573991931.db2.gz JBQZRIVTLWGBHF-UHFFFAOYSA-N 0 0 195.262 3.559 10 0 AHAERN CC(C)(C)[C@@H]1CCc2ccccc2C1 ZINC000104478445 574000993 /nfs/dbraw/zinc/00/09/93/574000993.db2.gz FCXYHCYNCWKCOS-CYBMUJFWSA-N 0 0 188.314 3.838 10 0 AHAERN CC(C)(C)[C@H]1CCc2ccccc2C1 ZINC000104478447 573999695 /nfs/dbraw/zinc/99/96/95/573999695.db2.gz FCXYHCYNCWKCOS-ZDUSSCGKSA-N 0 0 188.314 3.838 10 0 AHAERN Cc1cc(C)c(C)c2c1CCC2(C)C ZINC000104479272 574000079 /nfs/dbraw/zinc/00/00/79/574000079.db2.gz DKEQNICHDTZGAN-UHFFFAOYSA-N 0 0 188.314 3.836 10 0 AHAERN Cc1cc2c(c(C)c1)CCC2(C)C ZINC000104479964 574001970 /nfs/dbraw/zinc/00/19/70/574001970.db2.gz PJPNYZCIGFQVQG-UHFFFAOYSA-N 0 0 174.287 3.527 10 0 AHAERN Cc1ccc(C)c2c1CCC2(C)C ZINC000104479968 573998695 /nfs/dbraw/zinc/99/86/95/573998695.db2.gz IFZVSOLCUIWLFW-UHFFFAOYSA-N 0 0 174.287 3.527 10 0 AHAERN c1cc2scc(-c3ccccc3)c2[nH]1 ZINC000104493985 574007814 /nfs/dbraw/zinc/00/78/14/574007814.db2.gz RPSYNMBBMODOLI-UHFFFAOYSA-N 0 0 199.278 3.896 10 0 AHAERN Cc1cc2oc3ccccc3c2s1 ZINC000104494443 343732007 /nfs/dbraw/zinc/73/20/07/343732007.db2.gz LZZUUKSMXKSLBO-UHFFFAOYSA-N 0 0 188.251 3.956 10 0 AHAERN c1ccc2c(c1)oc1c2SCC=C1 ZINC000104495774 574014917 /nfs/dbraw/zinc/01/49/17/574014917.db2.gz ZMTBLAGGSHZQAL-UHFFFAOYSA-N 0 0 188.251 3.552 10 0 AHAERN CC(C)(C)c1cccc2ccncc21 ZINC000104496781 574014566 /nfs/dbraw/zinc/01/45/66/574014566.db2.gz PVMIIDNSGSMOMZ-UHFFFAOYSA-N 0 0 185.270 3.532 10 0 AHAERN CC(C)(C)c1cc2ccccc2cn1 ZINC000104497893 574011969 /nfs/dbraw/zinc/01/19/69/574011969.db2.gz OUTGSCRVUQXLQZ-UHFFFAOYSA-N 0 0 185.270 3.532 10 0 AHAERN c1ccc2c(c1)sc1c2CC=CC1 ZINC000104504350 574018298 /nfs/dbraw/zinc/01/82/98/574018298.db2.gz YRJODYMXMUDSJT-UHFFFAOYSA-N 0 0 186.279 3.556 10 0 AHAERN c1ccc2c(c1)sc1c2CCC=C1 ZINC000104505168 574019407 /nfs/dbraw/zinc/01/94/07/574019407.db2.gz AYMOVGCUZMUZSI-UHFFFAOYSA-N 0 0 186.279 3.861 10 0 AHAERN c1ccc2c(c1)sc1c2C=CCC1 ZINC000104505174 574018320 /nfs/dbraw/zinc/01/83/20/574018320.db2.gz PSAUUTLWAKEVSC-UHFFFAOYSA-N 0 0 186.279 3.861 10 0 AHAERN C[C@@H]1[C@H]2C[C@@H]3C[C@](C)(C2)C[C@@]1(C)C3 ZINC000104529193 572996290 /nfs/dbraw/zinc/99/62/90/572996290.db2.gz BWGAFPQRFLNCLN-UJPOAAIJSA-N 0 0 178.319 3.859 10 0 AHAERN C[C@H]1[C@H]2C[C@@H]3C[C@](C)(C2)C[C@@]1(C)C3 ZINC000104529194 572994047 /nfs/dbraw/zinc/99/40/47/572994047.db2.gz BWGAFPQRFLNCLN-OBPIAQAESA-N 0 0 178.319 3.859 10 0 AHAERN CCc1ccc2cc(C)ccc2c1 ZINC000104529223 572996851 /nfs/dbraw/zinc/99/68/51/572996851.db2.gz ZOYUJOHRFWIQTH-UHFFFAOYSA-N 0 0 170.255 3.711 10 0 AHAERN Cc1sc2ccc(F)cc2c1C ZINC000104529226 572995366 /nfs/dbraw/zinc/99/53/66/572995366.db2.gz UMENQSVICDFPQW-UHFFFAOYSA-N 0 0 180.247 3.657 10 0 AHAERN C[C@@H]1CCC[C@H](C(C)(C)C)C1 ZINC000104531154 572996144 /nfs/dbraw/zinc/99/61/44/572996144.db2.gz JRPPZHXXRWSKNH-ZJUUUORDSA-N 0 0 154.297 3.859 10 0 AHAERN C[C@H]1CCC[C@H](C(C)(C)C)C1 ZINC000104531159 572994859 /nfs/dbraw/zinc/99/48/59/572994859.db2.gz JRPPZHXXRWSKNH-UWVGGRQHSA-N 0 0 154.297 3.859 10 0 AHAERN C[C@@H]1CCC[C@@H](C(C)(C)C)C1 ZINC000104531163 572995818 /nfs/dbraw/zinc/99/58/18/572995818.db2.gz JRPPZHXXRWSKNH-NXEZZACHSA-N 0 0 154.297 3.859 10 0 AHAERN C[C@H]1CCC[C@@H](C(C)(C)C)C1 ZINC000104531166 572994273 /nfs/dbraw/zinc/99/42/73/572994273.db2.gz JRPPZHXXRWSKNH-VHSXEESVSA-N 0 0 154.297 3.859 10 0 AHAERN CCCC[C@](C)(Cl)CCC ZINC000104531181 343732423 /nfs/dbraw/zinc/73/24/23/343732423.db2.gz UFUKXCKHTRKNJD-SECBINFHSA-N 0 0 162.704 3.974 10 0 AHAERN CCCC[C@@](C)(Cl)CCC ZINC000104531186 343732560 /nfs/dbraw/zinc/73/25/60/343732560.db2.gz UFUKXCKHTRKNJD-VIFPVBQESA-N 0 0 162.704 3.974 10 0 AHAERN Cc1c(Cl)nc2ccccc2c1C ZINC000104676178 573169850 /nfs/dbraw/zinc/16/98/50/573169850.db2.gz RTAOWWFFKNUTFQ-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN c1cc2cc3ccccc3oc-2c1 ZINC000104676823 573170219 /nfs/dbraw/zinc/17/02/19/573170219.db2.gz UOSNKMFDWGUTTB-UHFFFAOYSA-N 0 0 168.195 3.538 10 0 AHAERN CCCCc1c[nH]c2ccccc12 ZINC000104677746 573172443 /nfs/dbraw/zinc/17/24/43/573172443.db2.gz YSDBYSJVQSHFOE-UHFFFAOYSA-N 0 0 173.259 3.511 10 0 AHAERN CC1(C)SC=Cc2ccccc21 ZINC000104677756 573171629 /nfs/dbraw/zinc/17/16/29/573171629.db2.gz SNOMCXPHXFPEJN-UHFFFAOYSA-N 0 0 176.284 3.639 10 0 AHAERN Cc1cc2sccc2c(C)c1 ZINC000104682332 573186917 /nfs/dbraw/zinc/18/69/17/573186917.db2.gz YDULQTLSFNLWCO-UHFFFAOYSA-N 0 0 162.257 3.518 10 0 AHAERN C1CC2=C(C1)OC1=C(CCCC1)C2 ZINC000104684674 573183247 /nfs/dbraw/zinc/18/32/47/573183247.db2.gz MKAQKDLFRQMQIP-UHFFFAOYSA-N 0 0 176.259 3.673 10 0 AHAERN CC(C)(C)c1coc(C(C)(C)C)c1 ZINC000104833288 166387434 /nfs/dbraw/zinc/38/74/34/166387434.db2.gz RJXSFEHZWJRATM-UHFFFAOYSA-N 0 0 180.291 3.875 10 0 AHAERN c1csc(C2=Cc3ccccc3C2)c1 ZINC000104834494 166074380 /nfs/dbraw/zinc/07/43/80/166074380.db2.gz MLHAUADHQBNXGH-UHFFFAOYSA-N 0 0 198.290 3.845 10 0 AHAERN CC(C)(C)C1=CCc2ccccc21 ZINC000104834698 166347492 /nfs/dbraw/zinc/34/74/92/166347492.db2.gz QKTNNHZEFGFOQG-UHFFFAOYSA-N 0 0 172.271 3.672 10 0 AHAERN ClC(Cl)=CC1CCCCC1 ZINC000104836811 171148152 /nfs/dbraw/zinc/14/81/52/171148152.db2.gz GNJWZJOKTDNLEG-UHFFFAOYSA-N 0 0 179.090 3.886 10 0 AHAERN CC(C)(C)C1(F)CCCCC1 ZINC000104837000 166347727 /nfs/dbraw/zinc/34/77/27/166347727.db2.gz RNYRJQVZJWYYPX-UHFFFAOYSA-N 0 0 158.260 3.705 10 0 AHAERN CSc1cc(-c2ccccc2)co1 ZINC000104837215 168309398 /nfs/dbraw/zinc/30/93/98/168309398.db2.gz YICLCKCJHZRMIS-UHFFFAOYSA-N 0 0 190.267 3.669 10 0 AHAERN CSC(SC)=C1CCCCC1 ZINC000104837455 168297218 /nfs/dbraw/zinc/29/72/18/168297218.db2.gz UTZGCTWTOVAXET-UHFFFAOYSA-N 0 0 188.361 3.888 10 0 AHAERN CCC/C=C1/CCCC[C@H]1C ZINC000104837701 171148028 /nfs/dbraw/zinc/14/80/28/171148028.db2.gz BBFVYRICESIKBL-UBYNWHESSA-N 0 0 152.281 3.923 10 0 AHAERN C/C=C/C=C/C1CCCCC1 ZINC000104839348 166061821 /nfs/dbraw/zinc/06/18/21/166061821.db2.gz DLIZMWTUXLDHEH-YNRRLODASA-N 0 0 150.265 3.699 10 0 AHAERN C1=C[C@@H]2c3cccc4cccc(c34)[C@@H]12 ZINC000104924628 166078158 /nfs/dbraw/zinc/07/81/58/166078158.db2.gz MKRSLSRLZZVPKE-QWRGUYRKSA-N 0 0 178.234 3.590 10 0 AHAERN C1=C[C@@H]2c3cccc4cccc(c34)[C@H]12 ZINC000104924632 166080225 /nfs/dbraw/zinc/08/02/25/166080225.db2.gz MKRSLSRLZZVPKE-PHIMTYICSA-N 0 0 178.234 3.590 10 0 AHAERN C1=C[C@H]2c3cccc4cccc(c34)[C@H]12 ZINC000104924637 166080057 /nfs/dbraw/zinc/08/00/57/166080057.db2.gz MKRSLSRLZZVPKE-GHMZBOCLSA-N 0 0 178.234 3.590 10 0 AHAERN CC(C)(C)c1ccc2c(c1)CCCC2 ZINC000105341219 573255572 /nfs/dbraw/zinc/25/55/72/573255572.db2.gz XCYVLZXWLBLNID-UHFFFAOYSA-N 0 0 188.314 3.863 10 0 AHAERN Cc1cc(C2CCCCC2)c(N)s1 ZINC000105555007 168751039 /nfs/dbraw/zinc/75/10/39/168751039.db2.gz DPAZCMANFLWUIG-UHFFFAOYSA-N 0 0 195.331 3.686 10 0 AHAERN Cc1sc(N)cc1C1CCCCC1 ZINC000105603771 169014591 /nfs/dbraw/zinc/01/45/91/169014591.db2.gz ZQCFFWQYGKJDIH-UHFFFAOYSA-N 0 0 195.331 3.686 10 0 AHAERN C=C=C(c1ccc(F)cc1)C(C)C ZINC000106488795 573307674 /nfs/dbraw/zinc/30/76/74/573307674.db2.gz NOHJYSXMZBRSLP-UHFFFAOYSA-N 0 0 176.234 3.650 10 0 AHAERN Cc1cc(C2CCCC2)cc(Cl)n1 ZINC000106872773 573317001 /nfs/dbraw/zinc/31/70/01/573317001.db2.gz ZVJVLOPULSLLCT-UHFFFAOYSA-N 0 0 195.693 3.701 10 0 AHAERN Cc1cc(C)c(NC2CC2)c(Cl)c1 ZINC000106872791 573315893 /nfs/dbraw/zinc/31/58/93/573315893.db2.gz QZRHOCPCJHLAKT-UHFFFAOYSA-N 0 0 195.693 3.531 10 0 AHAERN Nc1ccc(C2CCCCCC2)s1 ZINC000107081610 169291375 /nfs/dbraw/zinc/29/13/75/169291375.db2.gz RVFGEYXGICORPL-UHFFFAOYSA-N 0 0 195.331 3.768 10 0 AHAERN CC(=O)c1ccc(C2CCCCC2)o1 ZINC000107135732 343743667 /nfs/dbraw/zinc/74/36/67/343743667.db2.gz JWDBUZPMTHQGCK-UHFFFAOYSA-N 0 0 192.258 3.530 10 0 AHAERN O=Cc1cccc(C2CCCCC2)c1 ZINC000107173953 171150231 /nfs/dbraw/zinc/15/02/31/171150231.db2.gz AZRWMUROMLHIHD-UHFFFAOYSA-N 0 0 188.270 3.547 10 0 AHAERN CC(=O)c1ccc([C@@H](F)C(C)C)cc1 ZINC000107280876 573471305 /nfs/dbraw/zinc/47/13/05/573471305.db2.gz JAIOTBBNWJVCKS-LBPRGKRZSA-N 0 0 194.249 3.556 10 0 AHAERN CC(=O)c1ccc([C@H](F)C(C)C)cc1 ZINC000107280880 573471766 /nfs/dbraw/zinc/47/17/66/573471766.db2.gz JAIOTBBNWJVCKS-GFCCVEGCSA-N 0 0 194.249 3.556 10 0 AHAERN CC(=O)c1cccc([C@@H](F)C(C)C)c1 ZINC000107281026 573475825 /nfs/dbraw/zinc/47/58/25/573475825.db2.gz BGXMKEZWQPWADP-LBPRGKRZSA-N 0 0 194.249 3.556 10 0 AHAERN CC(=O)c1cccc([C@H](F)C(C)C)c1 ZINC000107281028 573472281 /nfs/dbraw/zinc/47/22/81/573472281.db2.gz BGXMKEZWQPWADP-GFCCVEGCSA-N 0 0 194.249 3.556 10 0 AHAERN CC(C)(C)[C@H](F)c1ccc(C=O)cc1 ZINC000107281172 573471927 /nfs/dbraw/zinc/47/19/27/573471927.db2.gz YGSVIDOXQCZOHV-LLVKDONJSA-N 0 0 194.249 3.556 10 0 AHAERN CC(C)(C)[C@@H](F)c1ccc(C=O)cc1 ZINC000107281174 573476103 /nfs/dbraw/zinc/47/61/03/573476103.db2.gz YGSVIDOXQCZOHV-NSHDSACASA-N 0 0 194.249 3.556 10 0 AHAERN CC(C)(C)[C@H](F)c1cccc(C=O)c1 ZINC000107281306 573471326 /nfs/dbraw/zinc/47/13/26/573471326.db2.gz SQEJFQWBVOARTB-LLVKDONJSA-N 0 0 194.249 3.556 10 0 AHAERN CC(C)(C)[C@@H](F)c1cccc(C=O)c1 ZINC000107281308 573473374 /nfs/dbraw/zinc/47/33/74/573473374.db2.gz SQEJFQWBVOARTB-NSHDSACASA-N 0 0 194.249 3.556 10 0 AHAERN CC(=O)CC1CCC(C(C)(C)C)CC1 ZINC000107432788 573605237 /nfs/dbraw/zinc/60/52/37/573605237.db2.gz PJEWFEJRUIIOKM-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN C/C=C\CCc1ccc(C)cc1 ZINC000107558302 573639325 /nfs/dbraw/zinc/63/93/25/573639325.db2.gz MUHKIWBIYGOXLC-ARJAWSKDSA-N 0 0 160.260 3.504 10 0 AHAERN CC(=O)c1cc(C(C)C)ccc1Cl ZINC000107998563 573679002 /nfs/dbraw/zinc/67/90/02/573679002.db2.gz CDULPMNIRQWHPO-UHFFFAOYSA-N 0 0 196.677 3.666 10 0 AHAERN CCC(=O)c1cc(C)cc(C)c1Cl ZINC000108000419 573682567 /nfs/dbraw/zinc/68/25/67/573682567.db2.gz DEUCISIOLFSUSL-UHFFFAOYSA-N 0 0 196.677 3.550 10 0 AHAERN C/C(=C\C(C)C)c1ccccc1 ZINC000108786828 166049047 /nfs/dbraw/zinc/04/90/47/166049047.db2.gz ORWUYEJTGRNCKK-PKNBQFBNSA-N 0 0 160.260 3.746 10 0 AHAERN CC1C(C)C(C)C(C)C(C)C1C ZINC000110498176 573951670 /nfs/dbraw/zinc/95/16/70/573951670.db2.gz CRZVDNMIWUHMQA-UHFFFAOYSA-N 0 0 168.324 3.817 10 0 AHAERN CC1CCCC(C)CCC1 ZINC000110507145 573953224 /nfs/dbraw/zinc/95/32/24/573953224.db2.gz SUYSLDYIPPVBGQ-UHFFFAOYSA-N 0 0 140.270 3.613 10 0 AHAERN Cl/C=C(Cl)/C(Cl)=C/Cl ZINC000111329552 343754182 /nfs/dbraw/zinc/75/41/82/343754182.db2.gz RLWBAEORPSFLTH-CCAGOZQPSA-N 0 0 191.872 3.624 10 0 AHAERN C1=C/C(=C2/C=CCCC2)CCC1 ZINC000111331363 343754267 /nfs/dbraw/zinc/75/42/67/343754267.db2.gz IMTIYIKRBGNQTQ-VAWYXSNFSA-N 0 0 160.260 3.763 10 0 AHAERN c1ccc2c(c1)C[C@H]1CCCC[C@H]21 ZINC000111332563 574009686 /nfs/dbraw/zinc/00/96/86/574009686.db2.gz OSJFWOVKJZKBOA-YPMHNXCESA-N 0 0 172.271 3.517 10 0 AHAERN c1ccc2c(c1)C[C@@H]1CCCC[C@H]21 ZINC000111332565 574010246 /nfs/dbraw/zinc/01/02/46/574010246.db2.gz OSJFWOVKJZKBOA-AAEUAGOBSA-N 0 0 172.271 3.517 10 0 AHAERN c1ccc2c(c1)C[C@H]1CCCC[C@@H]21 ZINC000111332568 574010588 /nfs/dbraw/zinc/01/05/88/574010588.db2.gz OSJFWOVKJZKBOA-DGCLKSJQSA-N 0 0 172.271 3.517 10 0 AHAERN c1ccc2c(c1)C[C@@H]1CCCC[C@@H]21 ZINC000111332569 574010403 /nfs/dbraw/zinc/01/04/03/574010403.db2.gz OSJFWOVKJZKBOA-WCQYABFASA-N 0 0 172.271 3.517 10 0 AHAERN CC(C)C(C)(C)C(C)(C)C ZINC000111333300 574010001 /nfs/dbraw/zinc/01/00/01/574010001.db2.gz WKQBIIUOSATALN-UHFFFAOYSA-N 0 0 142.286 3.715 10 0 AHAERN CC(C)(Cl)/C=C/C(C)(C)Cl ZINC000111336466 343754270 /nfs/dbraw/zinc/75/42/70/343754270.db2.gz ANSLDRRWTXDPKO-AATRIKPKSA-N 0 0 181.106 3.577 10 0 AHAERN CCCCC1=CCCCC1 ZINC000111339455 560044612 /nfs/dbraw/zinc/04/46/12/560044612.db2.gz INNYVOGDZSDNIP-UHFFFAOYSA-N 0 0 138.254 3.677 10 0 biogenic,in-vitro AHAERN CC(C)CCC1=CCCC1 ZINC000111340709 571856610 /nfs/dbraw/zinc/85/66/10/571856610.db2.gz LDBWEVZRYRUOOH-UHFFFAOYSA-N 0 0 138.254 3.533 10 0 AHAERN CC(C)CCC1=CCCCC1 ZINC000111341212 343754247 /nfs/dbraw/zinc/75/42/47/343754247.db2.gz QATQACDSNXQUEE-UHFFFAOYSA-N 0 0 152.281 3.923 10 0 AHAERN CCCC1(C)CCCCC1 ZINC000111341845 343754225 /nfs/dbraw/zinc/75/42/25/343754225.db2.gz SSOKTUYAEOXEPO-UHFFFAOYSA-N 0 0 140.270 3.757 10 0 AHAERN CCCCCC1=CCCC1 ZINC000111341889 343754187 /nfs/dbraw/zinc/75/41/87/343754187.db2.gz QCNVZKGTZWZQPR-UHFFFAOYSA-N 0 0 138.254 3.677 10 0 AHAERN CCC(C)=C(CC)CC ZINC000111342830 574011740 /nfs/dbraw/zinc/01/17/40/574011740.db2.gz VMUFADLSUAAIEH-UHFFFAOYSA-N 0 0 126.243 3.533 10 0 AHAERN CCC[C@@H](C)C(CC)CC ZINC000111343367 343754214 /nfs/dbraw/zinc/75/42/14/343754214.db2.gz JZBKRUIGSVOOIC-SECBINFHSA-N 0 0 142.286 3.859 10 0 AHAERN CCC[C@H](C)C(CC)CC ZINC000111343369 343754239 /nfs/dbraw/zinc/75/42/39/343754239.db2.gz JZBKRUIGSVOOIC-VIFPVBQESA-N 0 0 142.286 3.859 10 0 AHAERN CCC[C@@](C)(CC)C(C)C ZINC000111343384 574010242 /nfs/dbraw/zinc/01/02/42/574010242.db2.gz PJIFKODHGMUPFH-SNVBAGLBSA-N 0 0 142.286 3.859 10 0 AHAERN CCC[C@](C)(CC)C(C)C ZINC000111343387 574008018 /nfs/dbraw/zinc/00/80/18/574008018.db2.gz PJIFKODHGMUPFH-JTQLQIEISA-N 0 0 142.286 3.859 10 0 AHAERN CC(C)CC=C1CCCC1 ZINC000111343542 574010519 /nfs/dbraw/zinc/01/05/19/574010519.db2.gz IUEAAJZOPXGHPO-UHFFFAOYSA-N 0 0 138.254 3.533 10 0 AHAERN CC[C@@H](C)CC1=CCCC1 ZINC000111343544 574010825 /nfs/dbraw/zinc/01/08/25/574010825.db2.gz MYDUZRJIUKNRNR-SECBINFHSA-N 0 0 138.254 3.533 10 0 AHAERN CC[C@H](C)CC1=CCCC1 ZINC000111343547 574010048 /nfs/dbraw/zinc/01/00/48/574010048.db2.gz MYDUZRJIUKNRNR-VIFPVBQESA-N 0 0 138.254 3.533 10 0 AHAERN CC[C@@H](C)C=C1CCCC1 ZINC000111343549 574009722 /nfs/dbraw/zinc/00/97/22/574009722.db2.gz WEDHOVYBLBZKQA-SECBINFHSA-N 0 0 138.254 3.533 10 0 AHAERN CC[C@H](C)C=C1CCCC1 ZINC000111343551 574008290 /nfs/dbraw/zinc/00/82/90/574008290.db2.gz WEDHOVYBLBZKQA-VIFPVBQESA-N 0 0 138.254 3.533 10 0 AHAERN CCc1cccc(Cl)c1Cl ZINC000111343950 325620820 /nfs/dbraw/zinc/62/08/20/325620820.db2.gz KEBKSRNCCOFIBI-UHFFFAOYSA-N 0 0 175.058 3.556 10 0 AHAERN C/C=C(/CC)C(CC)CC ZINC000111345822 571857367 /nfs/dbraw/zinc/85/73/67/571857367.db2.gz WTCHQGKPTSGKHU-UITAMQMPSA-N 0 0 140.270 3.779 10 0 AHAERN CCCCC[C@@H]1CC1(C)C ZINC000111346759 574008133 /nfs/dbraw/zinc/00/81/33/574008133.db2.gz OGWQGGKDZIXSLA-SECBINFHSA-N 0 0 140.270 3.613 10 0 AHAERN CCCCC[C@H]1CC1(C)C ZINC000111346762 574010496 /nfs/dbraw/zinc/01/04/96/574010496.db2.gz OGWQGGKDZIXSLA-VIFPVBQESA-N 0 0 140.270 3.613 10 0 AHAERN CCCCC=C1CCCC1 ZINC000111352668 574012991 /nfs/dbraw/zinc/01/29/91/574012991.db2.gz UUTALBLZKWDFDU-UHFFFAOYSA-N 0 0 138.254 3.677 10 0 AHAERN Cc1cc(C)c(C)c(Cl)c1C ZINC000111355218 343754258 /nfs/dbraw/zinc/75/42/58/343754258.db2.gz HNXWCWJCZMYBDF-UHFFFAOYSA-N 0 0 168.667 3.574 10 0 AHAERN Cc1ccc(C(C)(C)C)cc1Cl ZINC000111355258 574014937 /nfs/dbraw/zinc/01/49/37/574014937.db2.gz GPHQXTFRTJKHPI-UHFFFAOYSA-N 0 0 182.694 3.946 10 0 AHAERN C[C@@H]1CCCCCC[C@@H]1C ZINC000111355579 343754190 /nfs/dbraw/zinc/75/41/90/343754190.db2.gz OJGUADSLWNGMCA-AOOOYVTPSA-N 0 0 140.270 3.613 10 0 AHAERN C[C@H]1CCCCCC[C@@H]1C ZINC000111355582 343754336 /nfs/dbraw/zinc/75/43/36/343754336.db2.gz OJGUADSLWNGMCA-UWVGGRQHSA-N 0 0 140.270 3.613 10 0 AHAERN C[C@@H]1CCCCCC[C@H]1C ZINC000111355584 343754237 /nfs/dbraw/zinc/75/42/37/343754237.db2.gz OJGUADSLWNGMCA-NXEZZACHSA-N 0 0 140.270 3.613 10 0 AHAERN CC/C=C(/CC)CCC ZINC000111360106 571861300 /nfs/dbraw/zinc/86/13/00/571861300.db2.gz UEXWGMADXSUAIL-CLFYSBASSA-N 0 0 126.243 3.533 10 0 AHAERN CC1=CC(C)(C)c2ccc(C)cc21 ZINC000111394757 574017861 /nfs/dbraw/zinc/01/78/61/574017861.db2.gz OIPWFYHULPYGNG-UHFFFAOYSA-N 0 0 172.271 3.690 10 0 AHAERN CC(C)=C1C=Cc2ccccc21 ZINC000111423165 171153301 /nfs/dbraw/zinc/15/33/01/171153301.db2.gz UFTDYDBGSOOBGX-UHFFFAOYSA-N 0 0 156.228 3.507 10 0 AHAERN C=Cc1ccccc1-c1ccccc1 ZINC000111461523 574019416 /nfs/dbraw/zinc/01/94/16/574019416.db2.gz XIRPMPKSZHNMST-UHFFFAOYSA-N 0 0 180.250 3.997 10 0 AHAERN Cl/C=C(/Cl)C=C(Cl)Cl ZINC000111487456 169016249 /nfs/dbraw/zinc/01/62/49/169016249.db2.gz XTSDMNIRVUOODR-NSCUHMNNSA-N 0 0 191.872 3.624 10 0 AHAERN C=C/C=C/C=C/C/C=C\CC ZINC000111852141 166142242 /nfs/dbraw/zinc/14/22/42/166142242.db2.gz JXRWPVZILDJGFO-QVKHCOBZSA-N 0 0 148.249 3.641 10 0 AHAERN Cl/C=C\C(Cl)=C(Cl)Cl ZINC000111871483 169016168 /nfs/dbraw/zinc/01/61/68/169016168.db2.gz ZDJLREHQIYLCNP-UPHRSURJSA-N 0 0 191.872 3.624 10 0 AHAERN Cl/C=C/C(Cl)=C(Cl)Cl ZINC000111871486 169016070 /nfs/dbraw/zinc/01/60/70/169016070.db2.gz ZDJLREHQIYLCNP-OWOJBTEDSA-N 0 0 191.872 3.624 10 0 AHAERN C/C=C(/C)[C@@H](C)C(C)(C)C ZINC000111873406 171153260 /nfs/dbraw/zinc/15/32/60/171153260.db2.gz PSSMIMCIKZSQIG-UFGYOYAJSA-N 0 0 140.270 3.635 10 0 AHAERN C/C=C(/C)[C@H](C)C(C)(C)C ZINC000111873410 171153586 /nfs/dbraw/zinc/15/35/86/171153586.db2.gz PSSMIMCIKZSQIG-FUOZMLNRSA-N 0 0 140.270 3.635 10 0 AHAERN CC/C=C(/Cl)c1ccc(F)cc1 ZINC000111894046 166658221 /nfs/dbraw/zinc/65/82/21/166658221.db2.gz OUQCWPVYGZTVOD-XCVCLJGOSA-N 0 0 184.641 3.815 10 0 AHAERN CC/C=C(\Cl)c1ccc(F)cc1 ZINC000111894048 166659701 /nfs/dbraw/zinc/65/97/01/166659701.db2.gz OUQCWPVYGZTVOD-KMKOMSMNSA-N 0 0 184.641 3.815 10 0 AHAERN CCc1c(C)[nH]c2c1ccc(C)c2C ZINC000111916850 574029881 /nfs/dbraw/zinc/02/98/81/574029881.db2.gz TXYQHBWSRDATOH-UHFFFAOYSA-N 0 0 187.286 3.656 10 0 AHAERN CCc1c(C)[nH]c2c1c(C)ccc2C ZINC000111916868 574029429 /nfs/dbraw/zinc/02/94/29/574029429.db2.gz FQQUFEGWHVWLTF-UHFFFAOYSA-N 0 0 187.286 3.656 10 0 AHAERN FC(F)c1ccc(Cl)cc1Cl ZINC000112731856 169074691 /nfs/dbraw/zinc/07/46/91/169074691.db2.gz CYZYZJBQFLOMLF-UHFFFAOYSA-N 0 0 197.011 3.931 10 0 AHAERN FC(F)c1c(Cl)cccc1Cl ZINC000112731859 169075057 /nfs/dbraw/zinc/07/50/57/169075057.db2.gz PUGMFROLBYGLGT-UHFFFAOYSA-N 0 0 197.011 3.931 10 0 AHAERN FC(F)c1ccc(Cl)c(Cl)c1 ZINC000112731862 169074930 /nfs/dbraw/zinc/07/49/30/169074930.db2.gz KREIQWZRXXJZIV-UHFFFAOYSA-N 0 0 197.011 3.931 10 0 AHAERN Fc1cc(C(F)F)c(F)cc1Cl ZINC000112731925 171153219 /nfs/dbraw/zinc/15/32/19/171153219.db2.gz DPFPLHYYYCDADN-UHFFFAOYSA-N 0 0 198.546 3.556 10 0 AHAERN Fc1ccc(F)c(-c2ccccc2)c1 ZINC000112734310 169083612 /nfs/dbraw/zinc/08/36/12/169083612.db2.gz LTWJYXZDXXWOED-UHFFFAOYSA-N 0 0 190.192 3.632 10 0 AHAERN Cc1cccc(F)c1-c1ccccc1 ZINC000112734436 574041776 /nfs/dbraw/zinc/04/17/76/574041776.db2.gz RRISSNZCAOCZQH-UHFFFAOYSA-N 0 0 186.229 3.801 10 0 AHAERN Cc1c(F)cccc1-c1ccccc1 ZINC000112734439 574041040 /nfs/dbraw/zinc/04/10/40/574041040.db2.gz UWLXLSCYLWQUPN-UHFFFAOYSA-N 0 0 186.229 3.801 10 0 AHAERN Cc1cc(F)cc(-c2ccccc2)c1 ZINC000112734443 574041249 /nfs/dbraw/zinc/04/12/49/574041249.db2.gz UCYFCMHBRXMESJ-UHFFFAOYSA-N 0 0 186.229 3.801 10 0 AHAERN Cc1cc(F)ccc1-c1ccccc1 ZINC000112734445 574041946 /nfs/dbraw/zinc/04/19/46/574041946.db2.gz MLBXNEWXWKIFJG-UHFFFAOYSA-N 0 0 186.229 3.801 10 0 AHAERN Cc1ccc(F)cc1-c1ccccc1 ZINC000112734448 574040763 /nfs/dbraw/zinc/04/07/63/574040763.db2.gz VLLKQBOKWADQRP-UHFFFAOYSA-N 0 0 186.229 3.801 10 0 AHAERN Fc1ccc2ccccc2c1Cl ZINC000112999676 574044328 /nfs/dbraw/zinc/04/43/28/574044328.db2.gz RJRXQRZUOOBXCR-UHFFFAOYSA-N 0 0 180.609 3.632 10 0 AHAERN CC(C)(C)CSc1ccccc1O ZINC000113065631 574046497 /nfs/dbraw/zinc/04/64/97/574046497.db2.gz HMKIYWSOUGWGLC-UHFFFAOYSA-N 0 0 196.315 3.530 10 0 AHAERN CCc1c(Cl)cc(C)cc1Cl ZINC000113101736 574045676 /nfs/dbraw/zinc/04/56/76/574045676.db2.gz CQYIPPGNPPBWSC-UHFFFAOYSA-N 0 0 189.085 3.864 10 0 AHAERN Cc1ccc(C(C)(C)C)c(C)c1 ZINC000113151921 574046612 /nfs/dbraw/zinc/04/66/12/574046612.db2.gz UAGBDAUMTJRHBN-UHFFFAOYSA-N 0 0 162.276 3.601 10 0 AHAERN Cc1cc2ccc(Cl)cc2s1 ZINC000113205920 343757068 /nfs/dbraw/zinc/75/70/68/343757068.db2.gz WCYJTARCKSXTLI-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN Fc1ccc(-c2cccs2)s1 ZINC000113223188 574047003 /nfs/dbraw/zinc/04/70/03/574047003.db2.gz LKTZSQVVKPIEKU-UHFFFAOYSA-N 0 0 184.260 3.616 10 0 AHAERN Clc1cc2sccc2s1 ZINC000113225177 343757530 /nfs/dbraw/zinc/75/75/30/343757530.db2.gz JHJAVTDTHYISNR-UHFFFAOYSA-N 0 0 174.677 3.616 10 0 AHAERN Cc1ccc(Cl)cc1C(F)F ZINC000113247374 574047578 /nfs/dbraw/zinc/04/75/78/574047578.db2.gz XEJJJPPBIOJLJW-UHFFFAOYSA-N 0 0 176.593 3.586 10 0 AHAERN Cc1cc2oc3ccccc3c2cc1O ZINC000113250615 571765617 /nfs/dbraw/zinc/76/56/17/571765617.db2.gz FSQBEHUARBELPZ-UHFFFAOYSA-N 0 0 198.221 3.600 10 0 AHAERN CCCCc1cccc(Cl)c1 ZINC000113292761 572995937 /nfs/dbraw/zinc/99/59/37/572995937.db2.gz VQSDBQDNUIWPKK-UHFFFAOYSA-N 0 0 168.667 3.683 10 0 AHAERN CCCCC(C)(C)c1ccc(O)cc1 ZINC000113296464 571824578 /nfs/dbraw/zinc/82/45/78/571824578.db2.gz MVUXIDLUKLKIEJ-UHFFFAOYSA-N 0 0 192.302 3.860 10 0 AHAERN C[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000113478837 573005431 /nfs/dbraw/zinc/00/54/31/573005431.db2.gz NHCREQREVZBOCH-VWYCJHECSA-N 0 0 152.281 3.613 10 0 AHAERN C[C@@H]1CCC[C@H]2CCCC[C@@H]12 ZINC000113478840 573008182 /nfs/dbraw/zinc/00/81/82/573008182.db2.gz NHCREQREVZBOCH-MXWKQRLJSA-N 0 0 152.281 3.613 10 0 AHAERN CCCC(CCC)CCCCCO ZINC000113537723 572002119 /nfs/dbraw/zinc/00/21/19/572002119.db2.gz PEEMWVSJMAGCLE-UHFFFAOYSA-N 0 0 186.339 3.756 10 0 AHAERN CC/C=C(\CCC)CCCCCO ZINC000113538081 572003735 /nfs/dbraw/zinc/00/37/35/572003735.db2.gz WRPRKZGEJDGPLU-XYOKQWHBSA-N 0 0 184.323 3.676 10 0 AHAERN CC/C=C(/CCC)CCCCCO ZINC000113538083 572005598 /nfs/dbraw/zinc/00/55/98/572005598.db2.gz WRPRKZGEJDGPLU-WQLSENKSSA-N 0 0 184.323 3.676 10 0 AHAERN CCCC(=CCCCCO)CCC ZINC000113539542 572003895 /nfs/dbraw/zinc/00/38/95/572003895.db2.gz VPDMFOBBYADMIU-UHFFFAOYSA-N 0 0 184.323 3.676 10 0 AHAERN CCCC/C=C\SCCC ZINC000113707844 343759987 /nfs/dbraw/zinc/75/99/87/343759987.db2.gz LNBWNNLDFGBDTM-CLFYSBASSA-N 0 0 158.310 3.834 10 0 AHAERN CC(C)(C)Cn1ccc2ccccc21 ZINC000113790580 571908555 /nfs/dbraw/zinc/90/85/55/571908555.db2.gz HOUHNDCEFIYGDU-UHFFFAOYSA-N 0 0 187.286 3.687 10 0 AHAERN Cc1cc2sccc2c(Cl)c1 ZINC000113801992 573028321 /nfs/dbraw/zinc/02/83/21/573028321.db2.gz GKPLDHZXRVJYTH-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN CC1(c2cccs2)CCCCC1 ZINC000113827807 573038501 /nfs/dbraw/zinc/03/85/01/573038501.db2.gz MUZVBPFBVAEPDZ-UHFFFAOYSA-N 0 0 180.316 3.970 10 0 AHAERN Clc1ccc(C2CCC2)cc1 ZINC000113828676 573037543 /nfs/dbraw/zinc/03/75/43/573037543.db2.gz OUXBCSPBKACSIM-UHFFFAOYSA-N 0 0 166.651 3.608 10 0 AHAERN CC(C)c1ccc2c(O)cccc2c1 ZINC000113936715 573045567 /nfs/dbraw/zinc/04/55/67/573045567.db2.gz MQYQNZSTPUSJSX-UHFFFAOYSA-N 0 0 186.254 3.669 10 0 AHAERN CC[C@@H](C)/C=C/c1ccccc1 ZINC000113940530 343761039 /nfs/dbraw/zinc/76/10/39/343761039.db2.gz VSGFJIDEDKDAMZ-PBQZMEPESA-N 0 0 160.260 3.746 10 0 AHAERN CC[C@H](C)/C=C/c1ccccc1 ZINC000113940534 343760749 /nfs/dbraw/zinc/76/07/49/343760749.db2.gz VSGFJIDEDKDAMZ-USKTWTLRSA-N 0 0 160.260 3.746 10 0 AHAERN CC(C)c1ccc(Cl)c(F)c1 ZINC000114039167 537967990 /nfs/dbraw/zinc/96/79/90/537967990.db2.gz HGZSFOVEVCSNKD-UHFFFAOYSA-N 0 0 172.630 3.603 10 0 AHAERN Cc1cc(C)c(C2CCCC2)cc1N ZINC000114042460 573053386 /nfs/dbraw/zinc/05/33/86/573053386.db2.gz FLOUCWSAEWMRMF-UHFFFAOYSA-N 0 0 189.302 3.543 10 0 AHAERN Fc1ccc(-c2ccccc2F)cc1 ZINC000114043185 573055745 /nfs/dbraw/zinc/05/57/45/573055745.db2.gz KFUIMRSFUOOROY-UHFFFAOYSA-N 0 0 190.192 3.632 10 0 AHAERN Cc1ccc(N)c(C)c1C1CCCC1 ZINC000114043924 573051801 /nfs/dbraw/zinc/05/18/01/573051801.db2.gz DLCHPUSTHJDCDQ-UHFFFAOYSA-N 0 0 189.302 3.543 10 0 AHAERN Cc1ccc(C2CCCC2)c(C)c1N ZINC000114043929 573051248 /nfs/dbraw/zinc/05/12/48/573051248.db2.gz ZCPRRFVKPCQCEC-UHFFFAOYSA-N 0 0 189.302 3.543 10 0 AHAERN CC/C=C/C=C/c1ccccc1 ZINC000114048611 343761383 /nfs/dbraw/zinc/76/13/83/343761383.db2.gz DHGJWSRGFMFRLS-JAFPNSLJSA-N 0 0 158.244 3.666 10 0 AHAERN C1=CC[C@H]([C@@H]2CC=CCC2)CC1 ZINC000114180262 343762185 /nfs/dbraw/zinc/76/21/85/343762185.db2.gz FRQGUZFVAWVQLA-TXEJJXNPSA-N 0 0 162.276 3.699 10 0 AHAERN C1=CC[C@H]([C@H]2CC=CCC2)CC1 ZINC000114180264 343762149 /nfs/dbraw/zinc/76/21/49/343762149.db2.gz FRQGUZFVAWVQLA-RYUDHWBXSA-N 0 0 162.276 3.699 10 0 AHAERN C1=CC[C@@H]([C@@H]2CC=CCC2)CC1 ZINC000114180265 343762229 /nfs/dbraw/zinc/76/22/29/343762229.db2.gz FRQGUZFVAWVQLA-VXGBXAGGSA-N 0 0 162.276 3.699 10 0 AHAERN CCCSc1cc[nH]c(=S)c1C ZINC000114190449 573070738 /nfs/dbraw/zinc/07/07/38/573070738.db2.gz KNCKDUAIOKMDMV-UHFFFAOYSA-N 0 0 199.344 3.555 10 0 AHAERN CC(C)c1ccc(C(C)C)c(C=O)c1 ZINC000114200241 573070507 /nfs/dbraw/zinc/07/05/07/573070507.db2.gz WIWANMGEBFRWLC-UHFFFAOYSA-N 0 0 190.286 3.746 10 0 AHAERN CC(C)CC1=CC[C@](C)([C@@H](C)O)CC1 ZINC000114244607 573069402 /nfs/dbraw/zinc/06/94/02/573069402.db2.gz OTGGWAMBFHHMNK-YPMHNXCESA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)CC1=CC[C@@](C)([C@@H](C)O)CC1 ZINC000114244609 573066749 /nfs/dbraw/zinc/06/67/49/573066749.db2.gz OTGGWAMBFHHMNK-DGCLKSJQSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)CC1=CC[C@](C)([C@H](C)O)CC1 ZINC000114244610 573068201 /nfs/dbraw/zinc/06/82/01/573068201.db2.gz OTGGWAMBFHHMNK-AAEUAGOBSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)CC1=CC[C@@](C)([C@H](C)O)CC1 ZINC000114244613 573067850 /nfs/dbraw/zinc/06/78/50/573067850.db2.gz OTGGWAMBFHHMNK-WCQYABFASA-N 0 0 196.334 3.530 10 0 AHAERN CCC[C@@]1(C(C)(C)C)C=C[C@H](C)O1 ZINC000114245976 343762189 /nfs/dbraw/zinc/76/21/89/343762189.db2.gz BWJMAXUUBRFWGV-JQWIXIFHSA-N 0 0 182.307 3.546 10 0 AHAERN CCC[C@]1(C(C)(C)C)C=C[C@H](C)O1 ZINC000114245978 343762100 /nfs/dbraw/zinc/76/21/00/343762100.db2.gz BWJMAXUUBRFWGV-CMPLNLGQSA-N 0 0 182.307 3.546 10 0 AHAERN CCC[C@@]1(C(C)(C)C)C=C[C@@H](C)O1 ZINC000114245981 343762081 /nfs/dbraw/zinc/76/20/81/343762081.db2.gz BWJMAXUUBRFWGV-PWSUYJOCSA-N 0 0 182.307 3.546 10 0 AHAERN CCC[C@]1(C(C)(C)C)C=C[C@@H](C)O1 ZINC000114245983 343761883 /nfs/dbraw/zinc/76/18/83/343761883.db2.gz BWJMAXUUBRFWGV-ZYHUDNBSSA-N 0 0 182.307 3.546 10 0 AHAERN C=Cc1ccccc1-c1ccc(O)cc1 ZINC000114278662 572034377 /nfs/dbraw/zinc/03/43/77/572034377.db2.gz MNEYNBNCEJYCPF-UHFFFAOYSA-N 0 0 196.249 3.702 10 0 AHAERN Cl/C=C/c1cccc(Cl)c1 ZINC000114362730 573072123 /nfs/dbraw/zinc/07/21/23/573072123.db2.gz XJCQFMIXTZNXMF-SNAWJCMRSA-N 0 0 173.042 3.550 10 0 AHAERN Cc1cccc(-c2ccccc2C)c1O ZINC000114363606 572110596 /nfs/dbraw/zinc/11/05/96/572110596.db2.gz TVOICAOPKRBXDY-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN CC(C)(Cl)c1ccc(Cl)cc1 ZINC000114370811 572118980 /nfs/dbraw/zinc/11/89/80/572118980.db2.gz BXZHFMJLWRWYBV-UHFFFAOYSA-N 0 0 189.085 3.814 10 0 AHAERN Cc1sccc1-c1ccc(F)cc1 ZINC000114413956 537966993 /nfs/dbraw/zinc/96/69/93/537966993.db2.gz RLSBJJXBAWZPOU-UHFFFAOYSA-N 0 0 192.258 3.863 10 0 AHAERN Fc1cccc(/C=C/c2ccccc2)c1 ZINC000114423639 343762872 /nfs/dbraw/zinc/76/28/72/343762872.db2.gz NUAGVTUKHLNXKJ-MDZDMXLPSA-N 0 0 198.240 3.996 10 0 AHAERN CCCC/C=C\c1cccc(C=O)c1 ZINC000114440135 343762549 /nfs/dbraw/zinc/76/25/49/343762549.db2.gz UPBDZGUJJJWEKJ-ALCCZGGFSA-N 0 0 188.270 3.703 10 0 AHAERN CCCC/C=C\c1ccc(C=O)cc1 ZINC000114440176 343762632 /nfs/dbraw/zinc/76/26/32/343762632.db2.gz JGZPDVMBIBYCQR-WAYWQWQTSA-N 0 0 188.270 3.703 10 0 AHAERN CCCC/C=C/c1ccc(C=O)cc1 ZINC000114440180 572452596 /nfs/dbraw/zinc/45/25/96/572452596.db2.gz JGZPDVMBIBYCQR-AATRIKPKSA-N 0 0 188.270 3.703 10 0 AHAERN C/C=C/C=C/CCCCC ZINC000114474915 325621282 /nfs/dbraw/zinc/62/12/82/325621282.db2.gz RMWHYWJWLBDARH-WJDMQLPWSA-N 0 0 138.254 3.699 10 0 AHAERN C=Cc1ccc2nccc(Cl)c2c1 ZINC000114475222 573084189 /nfs/dbraw/zinc/08/41/89/573084189.db2.gz USHUYFAJDWRMFL-UHFFFAOYSA-N 0 0 189.645 3.531 10 0 AHAERN COc1cc(C(C)C)ccc1C(C)C ZINC000114486958 572516496 /nfs/dbraw/zinc/51/64/96/572516496.db2.gz DJLIRTKJFKOVQB-UHFFFAOYSA-N 0 0 192.302 3.942 10 0 AHAERN CC(C)(C)c1ccc2scnc2c1 ZINC000114532299 166387352 /nfs/dbraw/zinc/38/73/52/166387352.db2.gz JYMIUYXSNLCPAD-UHFFFAOYSA-N 0 0 191.299 3.594 10 0 AHAERN CC(C)Oc1cc(F)cc(C(C)C)c1 ZINC000114542969 572569292 /nfs/dbraw/zinc/56/92/92/572569292.db2.gz RYNDCCHHRRQINL-UHFFFAOYSA-N 0 0 196.265 3.736 10 0 AHAERN CC(C)C[C@@H](C)C(=O)[C@@H](C)CC(C)C ZINC000114582836 572571546 /nfs/dbraw/zinc/57/15/46/572571546.db2.gz ILCHMHPRFFCEHP-TXEJJXNPSA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)C[C@H](C)C(=O)[C@@H](C)CC(C)C ZINC000114582838 572572042 /nfs/dbraw/zinc/57/20/42/572572042.db2.gz ILCHMHPRFFCEHP-RYUDHWBXSA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)C[C@@H](C)C(=O)[C@H](C)CC(C)C ZINC000114582840 572572033 /nfs/dbraw/zinc/57/20/33/572572033.db2.gz ILCHMHPRFFCEHP-VXGBXAGGSA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)=CCC/C(C)=C\[C@H](O)C(C)C ZINC000114607166 572570687 /nfs/dbraw/zinc/57/06/87/572570687.db2.gz QRQGYNSDKLWMBN-SUIFULHWSA-N 0 0 196.334 3.696 10 0 AHAERN CC(C)=CCC/C(C)=C\[C@@H](O)C(C)C ZINC000114607168 572572432 /nfs/dbraw/zinc/57/24/32/572572432.db2.gz QRQGYNSDKLWMBN-KIWPFMIBSA-N 0 0 196.334 3.696 10 0 AHAERN COc1ccc(C(C)(C)C)cc1Cl ZINC000114615808 572576341 /nfs/dbraw/zinc/57/63/41/572576341.db2.gz AKILBRMCVOYRGR-UHFFFAOYSA-N 0 0 198.693 3.646 10 0 AHAERN COc1cc(Cl)ccc1C(C)(C)C ZINC000114621907 572577157 /nfs/dbraw/zinc/57/71/57/572577157.db2.gz PDDRAILLTNYGAW-UHFFFAOYSA-N 0 0 198.693 3.646 10 0 AHAERN CC(C)(C)c1ccc(F)cc1Cl ZINC000114621916 573097436 /nfs/dbraw/zinc/09/74/36/573097436.db2.gz WIYHZQLCSLPYLD-UHFFFAOYSA-N 0 0 186.657 3.777 10 0 AHAERN CC(C)(C)c1cccc(F)c1Cl ZINC000114621927 572577163 /nfs/dbraw/zinc/57/71/63/572577163.db2.gz QVVUFFFIJAJLPF-UHFFFAOYSA-N 0 0 186.657 3.777 10 0 AHAERN CC(C)(C)c1cc(F)ccc1Cl ZINC000114622960 572577188 /nfs/dbraw/zinc/57/71/88/572577188.db2.gz MPXOZBRYVMNJAM-UHFFFAOYSA-N 0 0 186.657 3.777 10 0 AHAERN Cc1cc2ccsc2c(Cl)c1 ZINC000114628858 573094043 /nfs/dbraw/zinc/09/40/43/573094043.db2.gz AMYIBPSXWILJKF-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN CCc1cc(C)cc(CC)c1Cl ZINC000114638934 573095793 /nfs/dbraw/zinc/09/57/93/573095793.db2.gz CQKJMEVQJREFRF-UHFFFAOYSA-N 0 0 182.694 3.773 10 0 AHAERN CC(C)c1ccc2occc2c1 ZINC000114665451 573104522 /nfs/dbraw/zinc/10/45/22/573104522.db2.gz HTFJPVRIYUXROM-UHFFFAOYSA-N 0 0 160.216 3.556 10 0 AHAERN O[C@H](C1CCCC1)C1CCCCCC1 ZINC000114670760 573104438 /nfs/dbraw/zinc/10/44/38/573104438.db2.gz QYVSTFZTDOPFMD-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CCCC[C@@H](C)c1ccc(C=O)cc1 ZINC000114699574 572578980 /nfs/dbraw/zinc/57/89/80/572578980.db2.gz CLWKSRCAWCFBGQ-LLVKDONJSA-N 0 0 190.286 3.793 10 0 AHAERN CCCC[C@H](C)c1ccc(C=O)cc1 ZINC000114699576 572577817 /nfs/dbraw/zinc/57/78/17/572577817.db2.gz CLWKSRCAWCFBGQ-NSHDSACASA-N 0 0 190.286 3.793 10 0 AHAERN Cc1cc(Cl)cc2sccc21 ZINC000114703021 573110969 /nfs/dbraw/zinc/11/09/69/573110969.db2.gz DBAQTXHKRRAQBY-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN C/C=C\CCC(C)=C(C)C ZINC000114712542 572586892 /nfs/dbraw/zinc/58/68/92/572586892.db2.gz CHZKBTPIDKTYMY-WAYWQWQTSA-N 0 0 138.254 3.699 10 0 AHAERN C/C=C/CCC(C)=C(C)C ZINC000114712543 572584100 /nfs/dbraw/zinc/58/41/00/572584100.db2.gz CHZKBTPIDKTYMY-AATRIKPKSA-N 0 0 138.254 3.699 10 0 AHAERN Cc1cc(-c2ccccc2)cs1 ZINC000114773785 573118975 /nfs/dbraw/zinc/11/89/75/573118975.db2.gz BVZZYUSNOQMZMS-UHFFFAOYSA-N 0 0 174.268 3.724 10 0 AHAERN CCCCc1ccc(CCCC)[nH]1 ZINC000114791660 171167080 /nfs/dbraw/zinc/16/70/80/171167080.db2.gz QYLNOYUPVDSXKE-UHFFFAOYSA-N 0 0 179.307 3.700 10 0 AHAERN CC(C)(C)c1c[nH]cc1C(C)(C)C ZINC000114791695 573124525 /nfs/dbraw/zinc/12/45/25/573124525.db2.gz OLUVJEYXNKRHRM-UHFFFAOYSA-N 0 0 179.307 3.610 10 0 AHAERN Cc1ccc(Nc2cccs2)cc1 ZINC000114816312 573124198 /nfs/dbraw/zinc/12/41/98/573124198.db2.gz PTNLTBXQUQSYSC-UHFFFAOYSA-N 0 0 189.283 3.800 10 0 AHAERN CCc1cccc([C@H](C)CC)c1C=O ZINC000114914119 343764875 /nfs/dbraw/zinc/76/48/75/343764875.db2.gz UEVRZIXAAGXJIH-SNVBAGLBSA-N 0 0 190.286 3.575 10 0 AHAERN CCc1cccc([C@@H](C)CC)c1C=O ZINC000114914121 343765022 /nfs/dbraw/zinc/76/50/22/343765022.db2.gz UEVRZIXAAGXJIH-JTQLQIEISA-N 0 0 190.286 3.575 10 0 AHAERN CC(C)CCCCc1ccc(O)cc1 ZINC000114961436 572595096 /nfs/dbraw/zinc/59/50/96/572595096.db2.gz DZIFYSBFHMEXBI-UHFFFAOYSA-N 0 0 192.302 3.761 10 0 AHAERN CCC(CC)(CC)c1ccccc1O ZINC000114962729 343765657 /nfs/dbraw/zinc/76/56/57/343765657.db2.gz LCBROVRRYMMFJX-UHFFFAOYSA-N 0 0 192.302 3.860 10 0 AHAERN CC[C@H](c1ccccc1O)C(C)C ZINC000114968434 573145483 /nfs/dbraw/zinc/14/54/83/573145483.db2.gz PGEOZRYYQBYDNK-JTQLQIEISA-N 0 0 178.275 3.542 10 0 AHAERN CC[C@@H](c1ccccc1O)C(C)C ZINC000114968436 573147231 /nfs/dbraw/zinc/14/72/31/573147231.db2.gz PGEOZRYYQBYDNK-SNVBAGLBSA-N 0 0 178.275 3.542 10 0 AHAERN OCCCCCCCC1CCCCC1 ZINC000115014280 572599038 /nfs/dbraw/zinc/59/90/38/572599038.db2.gz BCYIGKUPZCVFCU-UHFFFAOYSA-N 0 0 198.350 3.900 10 0 AHAERN CCCc1cc(C)c(O)c(CCC)c1 ZINC000115050729 573150256 /nfs/dbraw/zinc/15/02/56/573150256.db2.gz KPBDGTGMUIZQAW-UHFFFAOYSA-N 0 0 192.302 3.606 10 0 AHAERN CCCCCc1cc(C)c(O)c(C)c1 ZINC000115050837 572600721 /nfs/dbraw/zinc/60/07/21/572600721.db2.gz GARYJBCFXHQULL-UHFFFAOYSA-N 0 0 192.302 3.742 10 0 AHAERN CCCCc1cc(C)c(O)c(CC)c1 ZINC000115052040 572600537 /nfs/dbraw/zinc/60/05/37/572600537.db2.gz RRGSURQFDSOLHZ-UHFFFAOYSA-N 0 0 192.302 3.606 10 0 AHAERN CCc1cc(-c2ccccc2)ccc1O ZINC000115054453 572600342 /nfs/dbraw/zinc/60/03/42/572600342.db2.gz XJYHDSXKWGRZKW-UHFFFAOYSA-N 0 0 198.265 3.622 10 0 AHAERN CCCCCCc1cc(C)ccc1O ZINC000115054483 572598870 /nfs/dbraw/zinc/59/88/70/572598870.db2.gz VRTAOZNHKCUURQ-UHFFFAOYSA-N 0 0 192.302 3.823 10 0 AHAERN CNc1ccccc1-c1ccc(C)cc1 ZINC000115090957 572603594 /nfs/dbraw/zinc/60/35/94/572603594.db2.gz SSFRDQYAELMOAV-UHFFFAOYSA-N 0 0 197.281 3.704 10 0 AHAERN CCC/C=C/c1ccc(C)cc1 ZINC000115120420 343766149 /nfs/dbraw/zinc/76/61/49/343766149.db2.gz XQNTVXVMSUSGNL-AATRIKPKSA-N 0 0 160.260 3.808 10 0 AHAERN CCCCc1ccccc1CC ZINC000115201032 572608608 /nfs/dbraw/zinc/60/86/08/572608608.db2.gz QTIAYNBMYSOJME-UHFFFAOYSA-N 0 0 162.276 3.592 10 0 AHAERN CC(C)c1c(N)sc2ccccc21 ZINC000115229631 573169852 /nfs/dbraw/zinc/16/98/52/573169852.db2.gz PWKUYQLFCLDZHN-UHFFFAOYSA-N 0 0 191.299 3.607 10 0 AHAERN CCOc1ccc([C@@H](C)CC)cc1 ZINC000115243236 572611251 /nfs/dbraw/zinc/61/12/51/572611251.db2.gz AGZNXXLYWICKRL-JTQLQIEISA-N 0 0 178.275 3.599 10 0 AHAERN CCOc1ccc([C@H](C)CC)cc1 ZINC000115243237 572612706 /nfs/dbraw/zinc/61/27/06/572612706.db2.gz AGZNXXLYWICKRL-SNVBAGLBSA-N 0 0 178.275 3.599 10 0 AHAERN Cc1ccc2c(c1)-c1ccc(C)cc1-2 ZINC000115310967 573987689 /nfs/dbraw/zinc/98/76/89/573987689.db2.gz RLVLQRHOGBBFQO-UHFFFAOYSA-N 0 0 180.250 3.951 10 0 AHAERN CCC1(CC)C=C[C@@H]2[C@H]3C=C[C@H](C3)[C@H]21 ZINC000115390671 343766771 /nfs/dbraw/zinc/76/67/71/343766771.db2.gz QWQMAINGVKHIQJ-UMSGYPCISA-N 0 0 188.314 3.801 10 0 AHAERN CCC1(CC)C=C[C@H]2[C@H]3C=C[C@H](C3)[C@H]21 ZINC000115390674 343766663 /nfs/dbraw/zinc/76/66/63/343766663.db2.gz QWQMAINGVKHIQJ-QNWHQSFQSA-N 0 0 188.314 3.801 10 0 AHAERN CCC/C=C(\C)c1ccccc1 ZINC000115460745 343767205 /nfs/dbraw/zinc/76/72/05/343767205.db2.gz DAEOFOFULGLGBC-DHZHZOJOSA-N 0 0 160.260 3.890 10 0 AHAERN CCC/C=C(/C)c1ccccc1 ZINC000115460747 343767151 /nfs/dbraw/zinc/76/71/51/343767151.db2.gz DAEOFOFULGLGBC-FLIBITNWSA-N 0 0 160.260 3.890 10 0 AHAERN Fc1ccccc1C1=CCCCC1 ZINC000115677503 573212135 /nfs/dbraw/zinc/21/21/35/573212135.db2.gz UAPZFOMBMUWRFR-UHFFFAOYSA-N 0 0 176.234 3.783 10 0 AHAERN Fc1ccc(C2=CCCCC2)cc1F ZINC000115679100 583266860 /nfs/dbraw/zinc/26/68/60/583266860.db2.gz WCJYZEDEOUWIQD-UHFFFAOYSA-N 0 0 194.224 3.922 10 0 AHAERN Clc1cccc(C2CC2)c1Cl ZINC000115720013 573213138 /nfs/dbraw/zinc/21/31/38/573213138.db2.gz MQMPCFIJIAHGHX-UHFFFAOYSA-N 0 0 187.069 3.871 10 0 AHAERN CC(C)c1cccc(C(C)(C)C)c1N ZINC000115721879 572629687 /nfs/dbraw/zinc/62/96/87/572629687.db2.gz CSJQUZQDQFTZEM-UHFFFAOYSA-N 0 0 191.318 3.690 10 0 AHAERN C/C=C(\C)C1CCCCC1 ZINC000115755092 573219633 /nfs/dbraw/zinc/21/96/33/573219633.db2.gz SOKZJAMQPSJUPA-YCRREMRBSA-N 0 0 138.254 3.533 10 0 AHAERN C/C=C(/C)C1CCCCC1 ZINC000115755094 573282082 /nfs/dbraw/zinc/28/20/82/573282082.db2.gz SOKZJAMQPSJUPA-OQFOIZHKSA-N 0 0 138.254 3.533 10 0 AHAERN CCC(C)(C)CC1(O)CCCCC1 ZINC000115765178 572633544 /nfs/dbraw/zinc/63/35/44/572633544.db2.gz CACFFWLVZMAWTP-UHFFFAOYSA-N 0 0 184.323 3.508 10 0 AHAERN CCc1cc(O)ccc1-c1ccccc1 ZINC000115768676 572632087 /nfs/dbraw/zinc/63/20/87/572632087.db2.gz UMGPLPGVYGQJQX-UHFFFAOYSA-N 0 0 198.265 3.622 10 0 AHAERN COc1cccc2c3ccccc3oc21 ZINC000115799540 572631304 /nfs/dbraw/zinc/63/13/04/572631304.db2.gz UHSIYXKLTXBUPQ-UHFFFAOYSA-N 0 0 198.221 3.595 10 0 AHAERN Clc1cc2cccc(Cl)c2cn1 ZINC000116065222 573246237 /nfs/dbraw/zinc/24/62/37/573246237.db2.gz MZTDDGSXLMDFKB-UHFFFAOYSA-N 0 0 198.052 3.542 10 0 AHAERN C[C@@H](F)c1c(F)cccc1Cl ZINC000116065758 573243492 /nfs/dbraw/zinc/24/34/92/573243492.db2.gz YMQJDWGDPFIVAU-RXMQYKEDSA-N 0 0 176.593 3.510 10 0 AHAERN CC1(c2c[nH]c3ccccc23)CCCC1 ZINC000116110379 343768616 /nfs/dbraw/zinc/76/86/16/343768616.db2.gz CDPMGAULXDEUFO-UHFFFAOYSA-N 0 0 199.297 4.000 10 0 AHAERN CCCCC[C@@H](C)CC(=O)CC ZINC000116129291 572663048 /nfs/dbraw/zinc/66/30/48/572663048.db2.gz NOQUQSATCBDDGB-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN CCCCC[C@H](C)CC(=O)CC ZINC000116129293 572663077 /nfs/dbraw/zinc/66/30/77/572663077.db2.gz NOQUQSATCBDDGB-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CC1=C[C@@H](C)[C@@H]2CC(C)(C)OC2=C1C ZINC000116172919 343768404 /nfs/dbraw/zinc/76/84/04/343768404.db2.gz SLROPVABSCVNOL-KOLCDFICSA-N 0 0 192.302 3.672 10 0 AHAERN CC1=C[C@H](C)[C@@H]2CC(C)(C)OC2=C1C ZINC000116172922 343768201 /nfs/dbraw/zinc/76/82/01/343768201.db2.gz SLROPVABSCVNOL-ONGXEEELSA-N 0 0 192.302 3.672 10 0 AHAERN CC1=C[C@@H](C)[C@H]2CC(C)(C)OC2=C1C ZINC000116172924 343768611 /nfs/dbraw/zinc/76/86/11/343768611.db2.gz SLROPVABSCVNOL-MWLCHTKSSA-N 0 0 192.302 3.672 10 0 AHAERN CC1=C[C@H](C)[C@H]2CC(C)(C)OC2=C1C ZINC000116172926 343768210 /nfs/dbraw/zinc/76/82/10/343768210.db2.gz SLROPVABSCVNOL-GXSJLCMTSA-N 0 0 192.302 3.672 10 0 AHAERN CCCCCC[C@@H]1C[C@@H]1C ZINC000116175328 573251276 /nfs/dbraw/zinc/25/12/76/573251276.db2.gz IZIBXQRUAJERPG-VHSXEESVSA-N 0 0 140.270 3.613 10 0 AHAERN CCCCCC[C@H]1C[C@@H]1C ZINC000116175329 573251776 /nfs/dbraw/zinc/25/17/76/573251776.db2.gz IZIBXQRUAJERPG-UWVGGRQHSA-N 0 0 140.270 3.613 10 0 AHAERN CCCCCC[C@@H]1C[C@H]1C ZINC000116175331 573251758 /nfs/dbraw/zinc/25/17/58/573251758.db2.gz IZIBXQRUAJERPG-NXEZZACHSA-N 0 0 140.270 3.613 10 0 AHAERN CCCCCC[C@H]1C[C@H]1C ZINC000116175333 573250682 /nfs/dbraw/zinc/25/06/82/573250682.db2.gz IZIBXQRUAJERPG-ZJUUUORDSA-N 0 0 140.270 3.613 10 0 AHAERN C=Cc1ccc(C(C)(C)C)nc1Cl ZINC000116280113 573256529 /nfs/dbraw/zinc/25/65/29/573256529.db2.gz SPOCFKYQIRMIBL-UHFFFAOYSA-N 0 0 195.693 3.676 10 0 AHAERN C=Cc1ccc(C(C)(C)C)c(F)c1 ZINC000116282123 573261595 /nfs/dbraw/zinc/26/15/95/573261595.db2.gz ZLQGVMQGPBUTGQ-UHFFFAOYSA-N 0 0 178.250 3.766 10 0 AHAERN C=Cc1cc(F)c(C(C)(C)C)c(F)c1 ZINC000116283361 573258570 /nfs/dbraw/zinc/25/85/70/573258570.db2.gz DIKGYAHVWPGZIR-UHFFFAOYSA-N 0 0 196.240 3.905 10 0 AHAERN Clc1ccc(-c2ccco2)cc1 ZINC000116295923 325621778 /nfs/dbraw/zinc/62/17/78/325621778.db2.gz VKGLKWKQBWOENE-UHFFFAOYSA-N 0 0 178.618 3.600 10 0 AHAERN c1ccc(NC2=CCCCC2)cc1 ZINC000116316357 573257388 /nfs/dbraw/zinc/25/73/88/573257388.db2.gz NMHAAZGGTJQEFL-UHFFFAOYSA-N 0 0 173.259 3.556 10 0 AHAERN CC1(C)C=Nc2ccc3ccccc3c21 ZINC000116384024 572689352 /nfs/dbraw/zinc/68/93/52/572689352.db2.gz NTERFJDUONWZNE-UHFFFAOYSA-N 0 0 195.265 3.833 10 0 AHAERN Cc1ccc(-c2ccccc2)c(C)c1O ZINC000116406048 572688067 /nfs/dbraw/zinc/68/80/67/572688067.db2.gz BILVIMICBJCGQC-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN CCCCC[C@H]1CC=CCC1 ZINC000116434832 343769428 /nfs/dbraw/zinc/76/94/28/343769428.db2.gz GOPWUTYCTODTGN-NSHDSACASA-N 0 0 152.281 3.923 10 0 AHAERN CCCCC[C@@H]1CC=CCC1 ZINC000116434834 343769486 /nfs/dbraw/zinc/76/94/86/343769486.db2.gz GOPWUTYCTODTGN-LLVKDONJSA-N 0 0 152.281 3.923 10 0 AHAERN CCC[C@@H]1C=Cc2ccccc21 ZINC000116468564 343769710 /nfs/dbraw/zinc/76/97/10/343769710.db2.gz SPFZKMMPGXBEPX-SNVBAGLBSA-N 0 0 158.244 3.597 10 0 AHAERN CCC[C@H]1C=Cc2ccccc21 ZINC000116468566 343769657 /nfs/dbraw/zinc/76/96/57/343769657.db2.gz SPFZKMMPGXBEPX-JTQLQIEISA-N 0 0 158.244 3.597 10 0 AHAERN C1=C2CCCCC[C@@H]2CCC1 ZINC000116511536 343769563 /nfs/dbraw/zinc/76/95/63/343769563.db2.gz PUABNAWFNOFZPZ-LLVKDONJSA-N 0 0 150.265 3.677 10 0 AHAERN C1=C2CCCCC[C@H]2CCC1 ZINC000116511539 343769649 /nfs/dbraw/zinc/76/96/49/343769649.db2.gz PUABNAWFNOFZPZ-NSHDSACASA-N 0 0 150.265 3.677 10 0 AHAERN C=Cc1ccc(Cc2ccccc2)cc1 ZINC000116526186 343769813 /nfs/dbraw/zinc/76/98/13/343769813.db2.gz RLBYCFQPKBFPDE-UHFFFAOYSA-N 0 0 194.277 3.920 10 0 AHAERN C=Cc1cc2ccccc2s1 ZINC000116540021 573289711 /nfs/dbraw/zinc/28/97/11/573289711.db2.gz UEPFNQXGOLWTAD-UHFFFAOYSA-N 0 0 160.241 3.544 10 0 AHAERN CCCCc1ccc2occc2c1 ZINC000116639429 571714899 /nfs/dbraw/zinc/71/48/99/571714899.db2.gz VHBBCLWPAKHQKL-UHFFFAOYSA-N 0 0 174.243 3.775 10 0 AHAERN Cc1cc2ccccc2c(Cl)c1O ZINC000116882072 571798373 /nfs/dbraw/zinc/79/83/73/571798373.db2.gz GDBWOIUARMPWSI-UHFFFAOYSA-N 0 0 192.645 3.507 10 0 AHAERN c1cc2c(nccc2C2=CCCCC2)[nH]1 ZINC000116937321 343771762 /nfs/dbraw/zinc/77/17/62/343771762.db2.gz GBFKFOUHPCJGFZ-UHFFFAOYSA-N 0 0 198.269 3.520 10 0 AHAERN CCC(C)(C)CCCCC(C)=O ZINC000117091950 572404096 /nfs/dbraw/zinc/40/40/96/572404096.db2.gz SZRJQGKFWVCFTE-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN CCCC[C@H](C)CCCC(C)=O ZINC000117092930 572403989 /nfs/dbraw/zinc/40/39/89/572403989.db2.gz VHKCXLZRXZKTJW-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CCCCC[C@H](C)CCC(C)=O ZINC000117101904 572403870 /nfs/dbraw/zinc/40/38/70/572403870.db2.gz FSDRJVHVPFCPAK-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CC(=O)CCCCCC(C)(C)C ZINC000117108313 572407093 /nfs/dbraw/zinc/40/70/93/572407093.db2.gz WFLVZVWOLWZYNN-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN c1cc2cc(C3=CCCCC3)cnc2[nH]1 ZINC000117139598 343772089 /nfs/dbraw/zinc/77/20/89/343772089.db2.gz LEEKKRLPUJLAHL-UHFFFAOYSA-N 0 0 198.269 3.520 10 0 AHAERN CCCCCCc1cc(F)ccc1N ZINC000117365638 572653194 /nfs/dbraw/zinc/65/31/94/572653194.db2.gz BUAXFFFNBLIEPY-UHFFFAOYSA-N 0 0 195.281 3.531 10 0 AHAERN CCCc1ccc(C)c(O)c1CCC ZINC000117442270 572687406 /nfs/dbraw/zinc/68/74/06/572687406.db2.gz KFHSCLULCDAKTB-UHFFFAOYSA-N 0 0 192.302 3.606 10 0 AHAERN Cc1ccc(Cl)c(C(F)F)c1 ZINC000117716681 573363319 /nfs/dbraw/zinc/36/33/19/573363319.db2.gz JRTBVMQWGDWKLY-UHFFFAOYSA-N 0 0 176.593 3.586 10 0 AHAERN CCC(CC)c1ccc(C)cc1O ZINC000117726094 573364846 /nfs/dbraw/zinc/36/48/46/573364846.db2.gz JZGGFCLGFITKDY-UHFFFAOYSA-N 0 0 178.275 3.604 10 0 AHAERN CCCC/C=C(\C)CCC ZINC000117756675 343773515 /nfs/dbraw/zinc/77/35/15/343773515.db2.gz VHLDUDJLFKAZEF-MDZDMXLPSA-N 0 0 140.270 3.923 10 0 AHAERN CC1(C)CCC(C)(C)CC1 ZINC000117813309 573369416 /nfs/dbraw/zinc/36/94/16/573369416.db2.gz DNAQTTMNXQBWIL-UHFFFAOYSA-N 0 0 140.270 3.613 10 0 AHAERN CCCCC(C)(C)c1ccc(N)cc1 ZINC000117822335 572789847 /nfs/dbraw/zinc/78/98/47/572789847.db2.gz UHPGPCHPULHMAC-UHFFFAOYSA-N 0 0 191.318 3.737 10 0 AHAERN CC(C)C(c1ccc(O)cc1)C(C)C ZINC000117882638 573376982 /nfs/dbraw/zinc/37/69/82/573376982.db2.gz OJSPJFXLZMMKFV-UHFFFAOYSA-N 0 0 192.302 3.788 10 0 AHAERN c1c2ccccc2[nH]c1C1=CCCC1 ZINC000117989335 343773968 /nfs/dbraw/zinc/77/39/68/343773968.db2.gz DAFHKPCWHUMOSF-UHFFFAOYSA-N 0 0 183.254 3.735 10 0 AHAERN Cc1csc2cccc(Cl)c12 ZINC000118007971 573385224 /nfs/dbraw/zinc/38/52/24/573385224.db2.gz WHLYALANBFCPKU-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN CC1(c2ccccc2O)CCCCC1 ZINC000118313181 573393008 /nfs/dbraw/zinc/39/30/08/573393008.db2.gz MEXOXLIXCREBKL-UHFFFAOYSA-N 0 0 190.286 3.614 10 0 AHAERN CCCCCC1(CCO)CCCCC1 ZINC000118381641 572836374 /nfs/dbraw/zinc/83/63/74/572836374.db2.gz IPCODCXOSQWEPF-UHFFFAOYSA-N 0 0 198.350 3.900 10 0 AHAERN CCCCCC[C@@](C)(O)CCCC ZINC000118677496 572875534 /nfs/dbraw/zinc/87/55/34/572875534.db2.gz UBPIXMRNQVOZNL-LBPRGKRZSA-N 0 0 186.339 3.898 10 0 AHAERN CCCCCC[C@](C)(O)CCCC ZINC000118677497 572873958 /nfs/dbraw/zinc/87/39/58/572873958.db2.gz UBPIXMRNQVOZNL-GFCCVEGCSA-N 0 0 186.339 3.898 10 0 AHAERN CC(C)CC[C@H](C)c1ccccc1N ZINC000118784402 572882352 /nfs/dbraw/zinc/88/23/52/572882352.db2.gz ZOAYOUPJXCIYKQ-NSHDSACASA-N 0 0 191.318 3.809 10 0 AHAERN CC(C)=CCCCCC(=O)C(C)C ZINC000118912289 572897997 /nfs/dbraw/zinc/89/79/97/572897997.db2.gz HPEJOEJAIBNRTB-UHFFFAOYSA-N 0 0 182.307 3.738 10 0 AHAERN O=C(CC1CCCCCC1)C1CCC1 ZINC000122146554 573705133 /nfs/dbraw/zinc/70/51/33/573705133.db2.gz HXXLZQFVUXUFHF-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN Cc1cc2c(C)cccc2c(Cl)n1 ZINC000122287135 537974629 /nfs/dbraw/zinc/97/46/29/537974629.db2.gz CDESWJJEVNGJIE-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CC(C)=C[C@H](O)C1CCCCCCC1 ZINC000122778987 573826605 /nfs/dbraw/zinc/82/66/05/573826605.db2.gz KECWOOOJHPYHAT-ZDUSSCGKSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)=C[C@@H](O)C1CCCCCCC1 ZINC000122779193 573823963 /nfs/dbraw/zinc/82/39/63/573823963.db2.gz KECWOOOJHPYHAT-CYBMUJFWSA-N 0 0 196.334 3.674 10 0 AHAERN Cc1cc(C)c2ccnc(Cl)c2c1 ZINC000123716264 573145500 /nfs/dbraw/zinc/14/55/00/573145500.db2.gz PNYHTLIQUJINBX-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN Cc1ccc2c(Cl)nccc2c1C ZINC000123716764 573147764 /nfs/dbraw/zinc/14/77/64/573147764.db2.gz BXIYTUJKKCWNIA-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CCCn1ccc2c1cccc2Cl ZINC000123986284 573293532 /nfs/dbraw/zinc/29/35/32/573293532.db2.gz BPVVNVTWIOHVGW-UHFFFAOYSA-N 0 0 193.677 3.705 10 0 AHAERN CCCC[C@]1(O)CCCC[C@@H]1C(C)C ZINC000125817319 573178865 /nfs/dbraw/zinc/17/88/65/573178865.db2.gz JSOQKPDWKGUUTK-OLZOCXBDSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@]1(O)CCCC[C@@H]1C(C)C ZINC000125817536 573178420 /nfs/dbraw/zinc/17/84/20/573178420.db2.gz JSOQKPDWKGUUTK-CHWSQXEVSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@]1(O)CCCC[C@H]1C(C)C ZINC000125817738 573179656 /nfs/dbraw/zinc/17/96/56/573179656.db2.gz JSOQKPDWKGUUTK-STQMWFEESA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@]1(O)CCCC[C@H]1C(C)C ZINC000125817958 573175765 /nfs/dbraw/zinc/17/57/65/573175765.db2.gz JSOQKPDWKGUUTK-QWHCGFSZSA-N 0 0 198.350 3.754 10 0 AHAERN Cc1ccc(-c2cc(C)ccc2O)cc1 ZINC000125876536 573203795 /nfs/dbraw/zinc/20/37/95/573203795.db2.gz UXGQBBVNIXNIGI-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN Cc1cccc(-c2ccc(O)cc2C)c1 ZINC000125881052 573203398 /nfs/dbraw/zinc/20/33/98/573203398.db2.gz ARLHHOJYDKCFMT-UHFFFAOYSA-N 0 0 198.265 3.676 10 0 AHAERN CCc1cccc(-c2cccc(O)c2)c1 ZINC000125885112 573202353 /nfs/dbraw/zinc/20/23/53/573202353.db2.gz SGCUQHDMOIYQHZ-UHFFFAOYSA-N 0 0 198.265 3.622 10 0 AHAERN CCCC[C@H](O)c1c(C)cccc1C ZINC000126560777 573584392 /nfs/dbraw/zinc/58/43/92/573584392.db2.gz KSDZSPIILPJPFQ-LBPRGKRZSA-N 0 0 192.302 3.527 10 0 AHAERN CCCC[C@@H](O)c1c(C)cccc1C ZINC000126560984 573586847 /nfs/dbraw/zinc/58/68/47/573586847.db2.gz KSDZSPIILPJPFQ-GFCCVEGCSA-N 0 0 192.302 3.527 10 0 AHAERN CCC[C@H](Nc1ccccc1)C1CC1 ZINC000126677529 573622906 /nfs/dbraw/zinc/62/29/06/573622906.db2.gz ASEKTHJXSVSTKW-ZDUSSCGKSA-N 0 0 189.302 3.677 10 0 AHAERN CCC[C@@H](Nc1ccccc1)C1CC1 ZINC000126677773 573622107 /nfs/dbraw/zinc/62/21/07/573622107.db2.gz ASEKTHJXSVSTKW-CYBMUJFWSA-N 0 0 189.302 3.677 10 0 AHAERN CCC(CC)CCC(=O)C1CCCC1 ZINC000127248548 573801596 /nfs/dbraw/zinc/80/15/96/573801596.db2.gz AYYGMHVUTUUTJI-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@@H](C)CCC(=O)C1CCCC1 ZINC000127253003 573803151 /nfs/dbraw/zinc/80/31/51/573803151.db2.gz KKLKZQWPVHXTJO-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H](C)CCC(=O)C1CCCC1 ZINC000127253238 573802907 /nfs/dbraw/zinc/80/29/07/573802907.db2.gz KKLKZQWPVHXTJO-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@@H](C)CCC(=O)C1CCCC1 ZINC000127259877 573811460 /nfs/dbraw/zinc/81/14/60/573811460.db2.gz UCMBKBWUWVWLQI-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@H](C)CCC(=O)C1CCCC1 ZINC000127260102 573811522 /nfs/dbraw/zinc/81/15/22/573811522.db2.gz UCMBKBWUWVWLQI-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)(C)CCCC(=O)C1CCCC1 ZINC000127263634 573810992 /nfs/dbraw/zinc/81/09/92/573810992.db2.gz SQIAYSRIYIZUPJ-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)CCCCC(=O)C1CCCC1 ZINC000127271064 573809291 /nfs/dbraw/zinc/80/92/91/573809291.db2.gz PPNPOFSODLNYRP-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)CCCC[C@H](O)C1CCCC1 ZINC000127387075 573874391 /nfs/dbraw/zinc/87/43/91/573874391.db2.gz SHSQNAKDCWVMBO-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)CCCC[C@@H](O)C1CCCC1 ZINC000127387319 573872994 /nfs/dbraw/zinc/87/29/94/573872994.db2.gz SHSQNAKDCWVMBO-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)CC[C@H](O)C1CCCC1 ZINC000127402304 573849297 /nfs/dbraw/zinc/84/92/97/573849297.db2.gz CPDOHPUCLHVLRX-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)CC[C@@H](O)C1CCCC1 ZINC000127402544 573844982 /nfs/dbraw/zinc/84/49/82/573844982.db2.gz CPDOHPUCLHVLRX-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@H](O)C1CCCC1 ZINC000127413659 573863143 /nfs/dbraw/zinc/86/31/43/573863143.db2.gz FKWVBMAXDNHFNB-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@@H](O)C1CCCC1 ZINC000127413865 573860314 /nfs/dbraw/zinc/86/03/14/573860314.db2.gz FKWVBMAXDNHFNB-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)CC[C@H](O)C1CCCC1 ZINC000127414538 573863192 /nfs/dbraw/zinc/86/31/92/573863192.db2.gz ZJOGMDXQGCNZDR-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)CC[C@H](O)C1CCCC1 ZINC000127414783 573860910 /nfs/dbraw/zinc/86/09/10/573860910.db2.gz ZJOGMDXQGCNZDR-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)CC[C@@H](O)C1CCCC1 ZINC000127415017 573861106 /nfs/dbraw/zinc/86/11/06/573861106.db2.gz ZJOGMDXQGCNZDR-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)CC[C@@H](O)C1CCCC1 ZINC000127415261 573860445 /nfs/dbraw/zinc/86/04/45/573860445.db2.gz ZJOGMDXQGCNZDR-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)n1ccc(C2CCCC2)n1 ZINC000127552216 343813833 /nfs/dbraw/zinc/81/38/33/343813833.db2.gz VMHYTBRNTGPUJW-SNVBAGLBSA-N 0 0 192.306 3.512 10 0 AHAERN CC[C@H](C)n1ccc(C2CCCC2)n1 ZINC000127552465 343814089 /nfs/dbraw/zinc/81/40/89/343814089.db2.gz VMHYTBRNTGPUJW-JTQLQIEISA-N 0 0 192.306 3.512 10 0 AHAERN CC[C@@H]1CCC[C@H](c2nccs2)C1 ZINC000127685325 343816939 /nfs/dbraw/zinc/81/69/39/343816939.db2.gz WUOSZQCUEGQQRJ-ZJUUUORDSA-N 0 0 195.331 3.827 10 0 AHAERN CC[C@H]1CCC[C@H](c2nccs2)C1 ZINC000127685582 343817188 /nfs/dbraw/zinc/81/71/88/343817188.db2.gz WUOSZQCUEGQQRJ-UWVGGRQHSA-N 0 0 195.331 3.827 10 0 AHAERN CC[C@@H]1CCC[C@@H](c2nccs2)C1 ZINC000127685795 343817080 /nfs/dbraw/zinc/81/70/80/343817080.db2.gz WUOSZQCUEGQQRJ-NXEZZACHSA-N 0 0 195.331 3.827 10 0 AHAERN CC[C@H]1CCC[C@@H](c2nccs2)C1 ZINC000127686016 343816997 /nfs/dbraw/zinc/81/69/97/343816997.db2.gz WUOSZQCUEGQQRJ-VHSXEESVSA-N 0 0 195.331 3.827 10 0 AHAERN CCC(CC)CC(=O)c1cccs1 ZINC000127884169 573956148 /nfs/dbraw/zinc/95/61/48/573956148.db2.gz HHRVCJFXKWIHKO-UHFFFAOYSA-N 0 0 196.315 3.757 10 0 AHAERN CCC(CC)CC(=O)c1ccsc1 ZINC000127886241 573958546 /nfs/dbraw/zinc/95/85/46/573958546.db2.gz NMCFKXGXOLRBKL-UHFFFAOYSA-N 0 0 196.315 3.757 10 0 AHAERN CCC(CC)CC(=O)C1CCCCC1 ZINC000127888997 573963155 /nfs/dbraw/zinc/96/31/55/573963155.db2.gz RDILWHXHCMIFOG-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(CC)CC(=O)[C@@H]1CC[C@H](C)C1 ZINC000127910935 573994894 /nfs/dbraw/zinc/99/48/94/573994894.db2.gz SOVLGUOUWGKMJI-CMPLNLGQSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)CC(=O)[C@H]1CC[C@H](C)C1 ZINC000127911172 573997334 /nfs/dbraw/zinc/99/73/34/573997334.db2.gz SOVLGUOUWGKMJI-JQWIXIFHSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)CC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000127911412 573996070 /nfs/dbraw/zinc/99/60/70/573996070.db2.gz SOVLGUOUWGKMJI-ZYHUDNBSSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)CC(=O)[C@H]1CC[C@@H](C)C1 ZINC000127911664 573995847 /nfs/dbraw/zinc/99/58/47/573995847.db2.gz SOVLGUOUWGKMJI-PWSUYJOCSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCC(=O)CC(CC)CC ZINC000127917120 573994412 /nfs/dbraw/zinc/99/44/12/573994412.db2.gz BCDDWWCANVGJMN-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN CCC(CC)C[C@H](O)c1cccs1 ZINC000127937563 573996524 /nfs/dbraw/zinc/99/65/24/573996524.db2.gz GQMDPJFPNAATDJ-JTQLQIEISA-N 0 0 198.331 3.608 10 0 AHAERN CCC(CC)C[C@@H](O)c1cccs1 ZINC000127937770 573997901 /nfs/dbraw/zinc/99/79/01/573997901.db2.gz GQMDPJFPNAATDJ-SNVBAGLBSA-N 0 0 198.331 3.608 10 0 AHAERN CCC(CC)C[C@H](O)c1ccsc1 ZINC000127941805 573996945 /nfs/dbraw/zinc/99/69/45/573996945.db2.gz AXPBLHSMWLAIRR-NSHDSACASA-N 0 0 198.331 3.608 10 0 AHAERN CCC(CC)C[C@@H](O)c1ccsc1 ZINC000127941991 573994232 /nfs/dbraw/zinc/99/42/32/573994232.db2.gz AXPBLHSMWLAIRR-LLVKDONJSA-N 0 0 198.331 3.608 10 0 AHAERN CCC(CC)C[C@H](O)C1CCCCC1 ZINC000127947335 573999759 /nfs/dbraw/zinc/99/97/59/573999759.db2.gz UMKKEMJFZRAPFS-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@@H](O)C1CCCCC1 ZINC000127947534 574002613 /nfs/dbraw/zinc/00/26/13/574002613.db2.gz UMKKEMJFZRAPFS-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@H](O)CC(C)(C)C ZINC000127967630 573982145 /nfs/dbraw/zinc/98/21/45/573982145.db2.gz FXCWXORUJAALML-NSHDSACASA-N 0 0 186.339 3.610 10 0 AHAERN CCC(CC)C[C@@H](O)CC(C)(C)C ZINC000127967831 573983161 /nfs/dbraw/zinc/98/31/61/573983161.db2.gz FXCWXORUJAALML-LLVKDONJSA-N 0 0 186.339 3.610 10 0 AHAERN CCC(CC)C(=O)CC1=CCCCC1 ZINC000128226651 574037560 /nfs/dbraw/zinc/03/75/60/574037560.db2.gz FKSRTGNZIJSWFL-UHFFFAOYSA-N 0 0 194.318 3.882 10 0 AHAERN CCC[C@H](O)CC1CCCCCC1 ZINC000128287204 574031921 /nfs/dbraw/zinc/03/19/21/574031921.db2.gz KZCOUTOLCWIOIH-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@@H](O)CC1CCCCCC1 ZINC000128287413 574031239 /nfs/dbraw/zinc/03/12/39/574031239.db2.gz KZCOUTOLCWIOIH-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CC(C)(C)[C@H](O)CC1CCCCCC1 ZINC000128287637 343828387 /nfs/dbraw/zinc/82/83/87/343828387.db2.gz LVHNGXBIPULHCD-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)[C@@H](O)CC1CCCCCC1 ZINC000128287879 343828210 /nfs/dbraw/zinc/82/82/10/343828210.db2.gz LVHNGXBIPULHCD-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@@H]1CCCCC[C@@H]1O ZINC000128293629 573010280 /nfs/dbraw/zinc/01/02/80/573010280.db2.gz UWWVROZAGSOLDS-STQMWFEESA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@H]1CCCCC[C@@H]1O ZINC000128293821 573013373 /nfs/dbraw/zinc/01/33/73/573013373.db2.gz UWWVROZAGSOLDS-OLZOCXBDSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@@H]1CCCCC[C@H]1O ZINC000128294023 573009240 /nfs/dbraw/zinc/00/92/40/573009240.db2.gz UWWVROZAGSOLDS-QWHCGFSZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@H]1CCCCC[C@H]1O ZINC000128294246 573012872 /nfs/dbraw/zinc/01/28/72/573012872.db2.gz UWWVROZAGSOLDS-CHWSQXEVSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000128296260 573008432 /nfs/dbraw/zinc/00/84/32/573008432.db2.gz BKYHJGHYUBXXEH-WXHSDQCUSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)C[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000128296689 573007873 /nfs/dbraw/zinc/00/78/73/573007873.db2.gz BKYHJGHYUBXXEH-DRZSPHRISA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](O)CC1CCCCCC1 ZINC000128309449 573015693 /nfs/dbraw/zinc/01/56/93/573015693.db2.gz QNFIWHSLIOOEDR-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C[C@@H](O)CC1CCCCCC1 ZINC000128309693 573019582 /nfs/dbraw/zinc/01/95/82/573019582.db2.gz QNFIWHSLIOOEDR-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN O=C1CCCC[C@H]1C1CCCCCC1 ZINC000128431666 343831531 /nfs/dbraw/zinc/83/15/31/343831531.db2.gz FPGHBMRQBZXARN-LBPRGKRZSA-N 0 0 194.318 3.716 10 0 AHAERN O=C1CCCC[C@@H]1C1CCCCCC1 ZINC000128431867 343831102 /nfs/dbraw/zinc/83/11/02/343831102.db2.gz FPGHBMRQBZXARN-GFCCVEGCSA-N 0 0 194.318 3.716 10 0 AHAERN CCC(CC)C[C@@H]1CCCCCC1=O ZINC000128432624 573037257 /nfs/dbraw/zinc/03/72/57/573037257.db2.gz YYDONDLXVRYGCR-LBPRGKRZSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(CC)C[C@H]1CCCCCC1=O ZINC000128432807 573038000 /nfs/dbraw/zinc/03/80/00/573038000.db2.gz YYDONDLXVRYGCR-GFCCVEGCSA-N 0 0 196.334 3.962 10 0 AHAERN O=C1CCC[C@@H](C2CCCCCC2)C1 ZINC000128589960 343834039 /nfs/dbraw/zinc/83/40/39/343834039.db2.gz GBRABJIGWFIAMV-GFCCVEGCSA-N 0 0 194.318 3.716 10 0 AHAERN O=C1CCC[C@H](C2CCCCCC2)C1 ZINC000128590197 343834578 /nfs/dbraw/zinc/83/45/78/343834578.db2.gz GBRABJIGWFIAMV-LBPRGKRZSA-N 0 0 194.318 3.716 10 0 AHAERN CCC(CC)C[C@@H]1CCCC(=O)C1 ZINC000128590377 573074409 /nfs/dbraw/zinc/07/44/09/573074409.db2.gz BXRSUPMKNRXVAU-NSHDSACASA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)CCC1CCCCCC1 ZINC000128592710 573074383 /nfs/dbraw/zinc/07/43/83/573074383.db2.gz WQADGJZGYIKFIF-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN CCCC(=O)CCCC(CC)CC ZINC000128593493 573072613 /nfs/dbraw/zinc/07/26/13/573072613.db2.gz ZRKXVKGKRJTKRF-UHFFFAOYSA-N 0 0 184.323 3.962 10 0 AHAERN CC(C)C(=O)CCC1CCCCCC1 ZINC000128593741 573076492 /nfs/dbraw/zinc/07/64/92/573076492.db2.gz YVBOGTIOVGYZMY-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(CC)CCCC(=O)C(C)C ZINC000128594015 573072181 /nfs/dbraw/zinc/07/21/81/573072181.db2.gz TWJSHGKUYMQSBO-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN CCC(CC)CCCC(=O)C1CC1 ZINC000128594753 573077554 /nfs/dbraw/zinc/07/75/54/573077554.db2.gz MIXFDPKWUYLYPY-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(CC)C[C@@H]1CCCCC(=O)C1 ZINC000128596172 573073047 /nfs/dbraw/zinc/07/30/47/573073047.db2.gz SZMCPWOGEYNKDS-LBPRGKRZSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(CC)C[C@H]1CCCCC(=O)C1 ZINC000128596360 573074933 /nfs/dbraw/zinc/07/49/33/573074933.db2.gz SZMCPWOGEYNKDS-GFCCVEGCSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(CC)CC(C)(C)CC(C)=O ZINC000128598965 573076481 /nfs/dbraw/zinc/07/64/81/573076481.db2.gz LNFIJTVWMUJSOY-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN Cc1ccc(Cl)c(NC2CCC2)c1 ZINC000128677393 343835561 /nfs/dbraw/zinc/83/55/61/343835561.db2.gz HMBPHGYJPQNAAY-UHFFFAOYSA-N 0 0 195.693 3.613 10 0 AHAERN CCC[C@H](O)CCC1CCCCCC1 ZINC000128684107 573086479 /nfs/dbraw/zinc/08/64/79/573086479.db2.gz YQCIBXZTJKMDOT-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCC[C@@H](O)CCC1CCCCCC1 ZINC000128684304 573095458 /nfs/dbraw/zinc/09/54/58/573095458.db2.gz YQCIBXZTJKMDOT-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CCC[C@@H](O)CCCC(CC)CC ZINC000128684803 573100396 /nfs/dbraw/zinc/10/03/96/573100396.db2.gz RJYXGBZHHMYOQD-GFCCVEGCSA-N 0 0 186.339 3.754 10 0 AHAERN Cc1cccc(NC2CCC2)c1Cl ZINC000128686046 343836049 /nfs/dbraw/zinc/83/60/49/343836049.db2.gz VJEOSGCGZBVJID-UHFFFAOYSA-N 0 0 195.693 3.613 10 0 AHAERN CCC(CC)C[C@@H]1CCCC[C@H](O)C1 ZINC000128686256 573097253 /nfs/dbraw/zinc/09/72/53/573097253.db2.gz HTUJUBYCEJYYJR-STQMWFEESA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@H]1CCCC[C@H](O)C1 ZINC000128686442 573098438 /nfs/dbraw/zinc/09/84/38/573098438.db2.gz HTUJUBYCEJYYJR-OLZOCXBDSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@@H]1CCCC[C@@H](O)C1 ZINC000128686667 573102361 /nfs/dbraw/zinc/10/23/61/573102361.db2.gz HTUJUBYCEJYYJR-QWHCGFSZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@H]1CCCC[C@@H](O)C1 ZINC000128686903 573105522 /nfs/dbraw/zinc/10/55/22/573105522.db2.gz HTUJUBYCEJYYJR-CHWSQXEVSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](O)CCC1CCCCCC1 ZINC000128687138 573104363 /nfs/dbraw/zinc/10/43/63/573104363.db2.gz MHJQJTJVQAUENS-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CC[C@@H](O)CCC1CCCCCC1 ZINC000128687350 573105308 /nfs/dbraw/zinc/10/53/08/573105308.db2.gz MHJQJTJVQAUENS-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CC(C)[C@H](O)CCC1CCCCCC1 ZINC000128688434 573101894 /nfs/dbraw/zinc/10/18/94/573101894.db2.gz LNVYOBBEJYSAJS-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)[C@@H](O)CCC1CCCCCC1 ZINC000128688649 573102639 /nfs/dbraw/zinc/10/26/39/573102639.db2.gz LNVYOBBEJYSAJS-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)CCC[C@H](O)C(C)C ZINC000128688911 573103345 /nfs/dbraw/zinc/10/33/45/573103345.db2.gz AOFSZNUCUSQOSC-LBPRGKRZSA-N 0 0 186.339 3.610 10 0 AHAERN CCC(CC)CCC[C@@H](O)C(C)C ZINC000128689109 573102268 /nfs/dbraw/zinc/10/22/68/573102268.db2.gz AOFSZNUCUSQOSC-GFCCVEGCSA-N 0 0 186.339 3.610 10 0 AHAERN O[C@@H](CCC1CCCCCC1)C1CC1 ZINC000128689710 573109926 /nfs/dbraw/zinc/10/99/26/573109926.db2.gz GWGNGMALHRLGPA-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CCC(CC)CC(C)(C)C[C@@H](C)O ZINC000128696802 573107306 /nfs/dbraw/zinc/10/73/06/573107306.db2.gz WCVXCEUFTZTNAX-SNVBAGLBSA-N 0 0 186.339 3.610 10 0 AHAERN CCC(CC)CC(C)(C)C[C@H](C)O ZINC000128697010 573110489 /nfs/dbraw/zinc/11/04/89/573110489.db2.gz WCVXCEUFTZTNAX-JTQLQIEISA-N 0 0 186.339 3.610 10 0 AHAERN CCC(CC)COc1ccccc1 ZINC000128758530 573123635 /nfs/dbraw/zinc/12/36/35/573123635.db2.gz YVWTTWKNOBDDAK-UHFFFAOYSA-N 0 0 178.275 3.502 10 0 AHAERN CCC(CC)COc1ccccc1C ZINC000128759009 573123613 /nfs/dbraw/zinc/12/36/13/573123613.db2.gz PXNORSMYACWCEG-UHFFFAOYSA-N 0 0 192.302 3.810 10 0 AHAERN CCC(CC)COc1ccccc1F ZINC000128759237 573122947 /nfs/dbraw/zinc/12/29/47/573122947.db2.gz IFYFTBZYEFQUQO-UHFFFAOYSA-N 0 0 196.265 3.641 10 0 AHAERN CCC(CC)COc1ccc(C)cc1 ZINC000128759959 573122233 /nfs/dbraw/zinc/12/22/33/573122233.db2.gz SEDLYELZNWVQMX-UHFFFAOYSA-N 0 0 192.302 3.810 10 0 AHAERN CCC(CC)COc1ccc(F)cc1 ZINC000128760248 573120518 /nfs/dbraw/zinc/12/05/18/573120518.db2.gz GQNFJTPPQLRWST-UHFFFAOYSA-N 0 0 196.265 3.641 10 0 AHAERN CCC(CC)COc1cccc(C)c1 ZINC000128760901 573123303 /nfs/dbraw/zinc/12/33/03/573123303.db2.gz BVLKTFPODMNRJD-UHFFFAOYSA-N 0 0 192.302 3.810 10 0 AHAERN CCC(CC)CC1(CO)CCCCC1 ZINC000128851759 573126532 /nfs/dbraw/zinc/12/65/32/573126532.db2.gz DXSDLKZLSWTULX-UHFFFAOYSA-N 0 0 198.350 3.756 10 0 AHAERN CCC[C@](C)(CO)CC(CC)CC ZINC000128852857 573130777 /nfs/dbraw/zinc/13/07/77/573130777.db2.gz TZVNLLBRMYRKMA-LBPRGKRZSA-N 0 0 186.339 3.611 10 0 AHAERN CCC[C@@](C)(CO)CC(CC)CC ZINC000128853090 573129156 /nfs/dbraw/zinc/12/91/56/573129156.db2.gz TZVNLLBRMYRKMA-GFCCVEGCSA-N 0 0 186.339 3.611 10 0 AHAERN Cc1cccc2c1ccn2CC1CCC1 ZINC000128861796 573130185 /nfs/dbraw/zinc/13/01/85/573130185.db2.gz ITTIQCUEYRVGOX-UHFFFAOYSA-N 0 0 199.297 3.750 10 0 AHAERN CC[C@@H](C)CNc1cscc1C ZINC000129121826 490048292 /nfs/dbraw/zinc/04/82/92/490048292.db2.gz XXHDBGSYCKBOGD-MRVPVSSYSA-N 0 0 183.320 3.515 10 0 AHAERN CC[C@H](C)CNc1cscc1C ZINC000129122080 490048316 /nfs/dbraw/zinc/04/83/16/490048316.db2.gz XXHDBGSYCKBOGD-QMMMGPOBSA-N 0 0 183.320 3.515 10 0 AHAERN CCCC(=O)CC1CCCCCC1 ZINC000129226679 573265289 /nfs/dbraw/zinc/26/52/89/573265289.db2.gz AZYUSJWQUSVEKO-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN CC[C@H](C(C)=O)C1CCCCCC1 ZINC000129228433 343846429 /nfs/dbraw/zinc/84/64/29/343846429.db2.gz FTIYZWSMABHSHY-GFCCVEGCSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@@H](C(C)=O)C1CCCCCC1 ZINC000129228616 343846222 /nfs/dbraw/zinc/84/62/22/343846222.db2.gz FTIYZWSMABHSHY-LBPRGKRZSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(CC)C[C@@H]1C[C@H](C)CCC1=O ZINC000129230111 573236701 /nfs/dbraw/zinc/23/67/01/573236701.db2.gz GRLKELRAJWEKBT-PWSUYJOCSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C[C@H]1C[C@H](C)CCC1=O ZINC000129230339 573237681 /nfs/dbraw/zinc/23/76/81/573237681.db2.gz GRLKELRAJWEKBT-ZYHUDNBSSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C[C@@H]1C[C@@H](C)CCC1=O ZINC000129230545 573236190 /nfs/dbraw/zinc/23/61/90/573236190.db2.gz GRLKELRAJWEKBT-JQWIXIFHSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C[C@H]1C[C@@H](C)CCC1=O ZINC000129230795 573252842 /nfs/dbraw/zinc/25/28/42/573252842.db2.gz GRLKELRAJWEKBT-CMPLNLGQSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(CC)C[C@H](C(C)=O)C(C)C ZINC000129235323 573270345 /nfs/dbraw/zinc/27/03/45/573270345.db2.gz ZVTUFKXDLJFGGQ-LBPRGKRZSA-N 0 0 184.323 3.674 10 0 AHAERN CCC(CC)C[C@@H](C(C)=O)C(C)C ZINC000129235531 573268973 /nfs/dbraw/zinc/26/89/73/573268973.db2.gz ZVTUFKXDLJFGGQ-GFCCVEGCSA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)CC(=O)CC1CCCCCC1 ZINC000129236898 573273224 /nfs/dbraw/zinc/27/32/24/573273224.db2.gz YFUBPUXQBVBOSN-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(O)(CC)C1CCCCCC1 ZINC000129301649 343847492 /nfs/dbraw/zinc/84/74/92/343847492.db2.gz LILCCNUCZXAUEQ-UHFFFAOYSA-N 0 0 184.323 3.508 10 0 AHAERN CCC(CC)C[C@@H](O)C(CC)CC ZINC000129327421 573272922 /nfs/dbraw/zinc/27/29/22/573272922.db2.gz NUZIKCRVJZHVSH-GFCCVEGCSA-N 0 0 186.339 3.610 10 0 AHAERN CCC(CC)C[C@H](O)[C@H]1CC=CCC1 ZINC000129336308 573274118 /nfs/dbraw/zinc/27/41/18/573274118.db2.gz YPQIKTJRFVGNOI-STQMWFEESA-N 0 0 196.334 3.530 10 0 AHAERN CCC(CC)C[C@@H](O)[C@H]1CC=CCC1 ZINC000129336503 573272994 /nfs/dbraw/zinc/27/29/94/573272994.db2.gz YPQIKTJRFVGNOI-QWHCGFSZSA-N 0 0 196.334 3.530 10 0 AHAERN CCC(CC)C[C@H](O)[C@@H]1CC=CCC1 ZINC000129336721 573268634 /nfs/dbraw/zinc/26/86/34/573268634.db2.gz YPQIKTJRFVGNOI-OLZOCXBDSA-N 0 0 196.334 3.530 10 0 AHAERN CCC(CC)C[C@@H](O)[C@@H]1CC=CCC1 ZINC000129336930 573269849 /nfs/dbraw/zinc/26/98/49/573269849.db2.gz YPQIKTJRFVGNOI-CHWSQXEVSA-N 0 0 196.334 3.530 10 0 AHAERN CCC[C@@H](C)[C@H](O)C1CCCCCC1 ZINC000129339711 573274308 /nfs/dbraw/zinc/27/43/08/573274308.db2.gz JECBDKULXNTDII-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)[C@H](O)C1CCCCCC1 ZINC000129339914 573269884 /nfs/dbraw/zinc/26/98/84/573269884.db2.gz JECBDKULXNTDII-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)[C@@H](O)C1CCCCCC1 ZINC000129340066 573272872 /nfs/dbraw/zinc/27/28/72/573272872.db2.gz JECBDKULXNTDII-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)[C@@H](O)C1CCCCCC1 ZINC000129340261 573270719 /nfs/dbraw/zinc/27/07/19/573270719.db2.gz JECBDKULXNTDII-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)[C@H](O)CC(CC)CC ZINC000129340518 573271956 /nfs/dbraw/zinc/27/19/56/573271956.db2.gz HSIUYCPGYZOASX-ZYHUDNBSSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)[C@H](O)CC(CC)CC ZINC000129340705 573263464 /nfs/dbraw/zinc/26/34/64/573263464.db2.gz HSIUYCPGYZOASX-CMPLNLGQSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](C)[C@@H](O)CC(CC)CC ZINC000129340936 573274011 /nfs/dbraw/zinc/27/40/11/573274011.db2.gz HSIUYCPGYZOASX-PWSUYJOCSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCC[C@H](O)CC(CC)CC ZINC000129341368 573314323 /nfs/dbraw/zinc/31/43/23/573314323.db2.gz HBFYEWNWLPOZJC-LBPRGKRZSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@@H](O)CC(CC)CC ZINC000129341612 573311081 /nfs/dbraw/zinc/31/10/81/573311081.db2.gz HBFYEWNWLPOZJC-GFCCVEGCSA-N 0 0 186.339 3.754 10 0 AHAERN CC(C)(C)C[C@H](O)C1CCCCCC1 ZINC000129341837 343848662 /nfs/dbraw/zinc/84/86/62/343848662.db2.gz MNISXEOJAWIWFT-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)C[C@@H](O)C1CCCCCC1 ZINC000129342014 343848889 /nfs/dbraw/zinc/84/88/89/343848889.db2.gz MNISXEOJAWIWFT-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@@]1(O)CC[C@@H](CC)C1 ZINC000129359476 573317776 /nfs/dbraw/zinc/31/77/76/573317776.db2.gz KKQQZVIERXBYCA-OLZOCXBDSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@@]1(O)CC[C@H](CC)C1 ZINC000129359706 573317807 /nfs/dbraw/zinc/31/78/07/573317807.db2.gz KKQQZVIERXBYCA-STQMWFEESA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@]1(O)CC[C@@H](CC)C1 ZINC000129359906 573319443 /nfs/dbraw/zinc/31/94/43/573319443.db2.gz KKQQZVIERXBYCA-CHWSQXEVSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@]1(O)CC[C@H](CC)C1 ZINC000129360097 573316930 /nfs/dbraw/zinc/31/69/30/573316930.db2.gz KKQQZVIERXBYCA-QWHCGFSZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@@]1(O)CCCC1(C)C ZINC000129391420 573276305 /nfs/dbraw/zinc/27/63/05/573276305.db2.gz XYAKAFUZIZTWDQ-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@]1(O)CCC(C)(C)C1 ZINC000129409723 573282542 /nfs/dbraw/zinc/28/25/42/573282542.db2.gz UBOKPTMRVVVRHR-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@@]1(O)CCC(C)(C)C1 ZINC000129409945 573282193 /nfs/dbraw/zinc/28/21/93/573282193.db2.gz UBOKPTMRVVVRHR-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)C[C@](C)(O)C(C)(C)C ZINC000129421381 573284169 /nfs/dbraw/zinc/28/41/69/573284169.db2.gz MEHRIUMEMNGPQJ-LBPRGKRZSA-N 0 0 186.339 3.610 10 0 AHAERN CCC(CC)C[C@@](C)(O)C(C)(C)C ZINC000129421638 573281054 /nfs/dbraw/zinc/28/10/54/573281054.db2.gz MEHRIUMEMNGPQJ-GFCCVEGCSA-N 0 0 186.339 3.610 10 0 AHAERN CCc1c(C)[nH]c2cc(C)cc(C)c21 ZINC000129524803 343852511 /nfs/dbraw/zinc/85/25/11/343852511.db2.gz IYDZEFPLAHHOFJ-UHFFFAOYSA-N 0 0 187.286 3.656 10 0 AHAERN CCC[C@@](C)(CO)C1CCCCCC1 ZINC000129990067 573427805 /nfs/dbraw/zinc/42/78/05/573427805.db2.gz TVNWQDPTKAHZMJ-ZDUSSCGKSA-N 0 0 198.350 3.756 10 0 AHAERN CCCC[C@@](CC)(CO)C1CCCC1 ZINC000129991934 573422163 /nfs/dbraw/zinc/42/21/63/573422163.db2.gz OVXFXFJMQZXSPF-ZDUSSCGKSA-N 0 0 198.350 3.756 10 0 AHAERN CCCC[C@](CC)(CO)C1CCCC1 ZINC000129992164 573421753 /nfs/dbraw/zinc/42/17/53/573421753.db2.gz OVXFXFJMQZXSPF-CYBMUJFWSA-N 0 0 198.350 3.756 10 0 AHAERN CCC(CC)(CO)C1CCCCCC1 ZINC000129992851 573423497 /nfs/dbraw/zinc/42/34/97/573423497.db2.gz GACHVSGESLNPJN-UHFFFAOYSA-N 0 0 198.350 3.756 10 0 AHAERN CCC(CC)Cn1c(C)ccc1C ZINC000130510960 573576969 /nfs/dbraw/zinc/57/69/69/573576969.db2.gz XGFAARKOYQZMDA-UHFFFAOYSA-N 0 0 179.307 3.541 10 0 AHAERN c1ccn(CCCCc2ccccc2)c1 ZINC000131020176 573766041 /nfs/dbraw/zinc/76/60/41/573766041.db2.gz UTWGDQRRYJOSKL-UHFFFAOYSA-N 0 0 199.297 3.511 10 0 AHAERN CCCC(CCC)C(=O)c1ccco1 ZINC000132903772 573346922 /nfs/dbraw/zinc/34/69/22/573346922.db2.gz FBBNVYVHBFULLU-UHFFFAOYSA-N 0 0 194.274 3.679 10 0 AHAERN CCCC(CCC)[C@@H](O)C1=CCCC1 ZINC000132978360 573363460 /nfs/dbraw/zinc/36/34/60/573363460.db2.gz NTMDAFISQHMFOD-CYBMUJFWSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC(CCC)[C@@]1(O)C[C@H]1CCC ZINC000133013977 573362395 /nfs/dbraw/zinc/36/23/95/573362395.db2.gz VHKWJDQWORGUCO-OLZOCXBDSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC(CCC)[C@@]1(O)C[C@@H]1CCC ZINC000133014180 573359865 /nfs/dbraw/zinc/35/98/65/573359865.db2.gz VHKWJDQWORGUCO-STQMWFEESA-N 0 0 198.350 3.754 10 0 AHAERN CCCC(CCC)[C@]1(O)C[C@H]1CCC ZINC000133014345 573362984 /nfs/dbraw/zinc/36/29/84/573362984.db2.gz VHKWJDQWORGUCO-CHWSQXEVSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC(CCC)[C@]1(O)C[C@@H]1CCC ZINC000133014552 573360901 /nfs/dbraw/zinc/36/09/01/573360901.db2.gz VHKWJDQWORGUCO-QWHCGFSZSA-N 0 0 198.350 3.754 10 0 AHAERN Cc1cscc1N[C@@H]1CC[C@H](C)C1 ZINC000133498240 343920350 /nfs/dbraw/zinc/92/03/50/343920350.db2.gz TYNFLZQCRHULFU-WCBMZHEXSA-N 0 0 195.331 3.657 10 0 AHAERN Cc1cscc1N[C@H]1CC[C@H](C)C1 ZINC000133498474 343920325 /nfs/dbraw/zinc/92/03/25/343920325.db2.gz TYNFLZQCRHULFU-WPRPVWTQSA-N 0 0 195.331 3.657 10 0 AHAERN Cc1cscc1N[C@@H]1CC[C@@H](C)C1 ZINC000133498669 343920520 /nfs/dbraw/zinc/92/05/20/343920520.db2.gz TYNFLZQCRHULFU-PSASIEDQSA-N 0 0 195.331 3.657 10 0 AHAERN Cc1cscc1N[C@H]1CC[C@@H](C)C1 ZINC000133498843 343920537 /nfs/dbraw/zinc/92/05/37/343920537.db2.gz TYNFLZQCRHULFU-SCZZXKLOSA-N 0 0 195.331 3.657 10 0 AHAERN Cc1cscc1NC1CCCCC1 ZINC000133499321 343920349 /nfs/dbraw/zinc/92/03/49/343920349.db2.gz SXFWFHFSSMKJPJ-UHFFFAOYSA-N 0 0 195.331 3.801 10 0 AHAERN Cc1cscc1NCC1CCCC1 ZINC000133499739 343920287 /nfs/dbraw/zinc/92/02/87/343920287.db2.gz FTAZVVFSWLSLHN-UHFFFAOYSA-N 0 0 195.331 3.659 10 0 AHAERN Cc1cscc1N[C@@H](C)CC1CC1 ZINC000134325265 343939759 /nfs/dbraw/zinc/93/97/59/343939759.db2.gz NTWKQPOTWNMTPV-VIFPVBQESA-N 0 0 195.331 3.657 10 0 AHAERN Cc1cscc1N[C@H](C)CC1CC1 ZINC000134325284 343939663 /nfs/dbraw/zinc/93/96/63/343939663.db2.gz NTWKQPOTWNMTPV-SECBINFHSA-N 0 0 195.331 3.657 10 0 AHAERN Cc1cscc1N[C@@H](C)CC(C)C ZINC000134327830 343939573 /nfs/dbraw/zinc/93/95/73/343939573.db2.gz CMIXKXHLZBOHEA-JTQLQIEISA-N 0 0 197.347 3.903 10 0 AHAERN Cc1cscc1N[C@H](C)CC(C)C ZINC000134327851 343939606 /nfs/dbraw/zinc/93/96/06/343939606.db2.gz CMIXKXHLZBOHEA-SNVBAGLBSA-N 0 0 197.347 3.903 10 0 AHAERN Cc1cscc1N[C@@H]1CCC[C@@H]1C ZINC000134329388 343940290 /nfs/dbraw/zinc/94/02/90/343940290.db2.gz QJUBRVBUKQHUEM-WCBMZHEXSA-N 0 0 195.331 3.657 10 0 AHAERN Cc1cscc1N[C@H]1CCC[C@@H]1C ZINC000134329414 343940077 /nfs/dbraw/zinc/94/00/77/343940077.db2.gz QJUBRVBUKQHUEM-WPRPVWTQSA-N 0 0 195.331 3.657 10 0 AHAERN Cc1cscc1N[C@@H]1CCC[C@H]1C ZINC000134329433 343940228 /nfs/dbraw/zinc/94/02/28/343940228.db2.gz QJUBRVBUKQHUEM-PSASIEDQSA-N 0 0 195.331 3.657 10 0 AHAERN Cc1cscc1N[C@H]1CCC[C@H]1C ZINC000134329454 343940187 /nfs/dbraw/zinc/94/01/87/343940187.db2.gz QJUBRVBUKQHUEM-SCZZXKLOSA-N 0 0 195.331 3.657 10 0 AHAERN CC(=O)c1ccc(C(C)C)cc1Cl ZINC000135038877 343953543 /nfs/dbraw/zinc/95/35/43/343953543.db2.gz WWPLWCKFZIRDRM-UHFFFAOYSA-N 0 0 196.677 3.666 10 0 AHAERN Cc1cccc(F)c1NCCC(C)C ZINC000135236035 343957853 /nfs/dbraw/zinc/95/78/53/343957853.db2.gz YZXRMOUZCYKEPM-UHFFFAOYSA-N 0 0 195.281 3.592 10 0 AHAERN Cc1cccc(F)c1NCC(C)(C)C ZINC000135236895 343957930 /nfs/dbraw/zinc/95/79/30/343957930.db2.gz DNWMEBYBVZVBJU-UHFFFAOYSA-N 0 0 195.281 3.592 10 0 AHAERN Cc1cccc(F)c1N[C@@H](C)C(C)C ZINC000135237062 343957818 /nfs/dbraw/zinc/95/78/18/343957818.db2.gz YRNYWJUSJKOTCP-JTQLQIEISA-N 0 0 195.281 3.591 10 0 AHAERN Cc1cccc(F)c1N[C@H](C)C(C)C ZINC000135237084 343957863 /nfs/dbraw/zinc/95/78/63/343957863.db2.gz YRNYWJUSJKOTCP-SNVBAGLBSA-N 0 0 195.281 3.591 10 0 AHAERN C/C(=C\c1ccccc1)C1CCC1 ZINC000135637211 343966535 /nfs/dbraw/zinc/96/65/35/343966535.db2.gz KHPVQECSQDRLKZ-ZHACJKMWSA-N 0 0 172.271 3.890 10 0 AHAERN C/C=C\Oc1ccc(O/C=C\C)cc1 ZINC000135712127 573505831 /nfs/dbraw/zinc/50/58/31/573505831.db2.gz LNGCBBGEHHVCSW-UIYSNZQUSA-N 0 0 190.242 3.511 10 0 AHAERN C/C=C/[C@H](CC)OCc1ccccc1 ZINC000135712560 573506549 /nfs/dbraw/zinc/50/65/49/573506549.db2.gz QJJIZBKHWAGANS-UTPRNQHHSA-N 0 0 190.286 3.558 10 0 AHAERN C/C=C/[C@@H](CC)OCc1ccccc1 ZINC000135712614 573502848 /nfs/dbraw/zinc/50/28/48/573502848.db2.gz QJJIZBKHWAGANS-ZHAHRWAOSA-N 0 0 190.286 3.558 10 0 AHAERN C/C=C\C=C/C=C/C=C\CC ZINC000135754620 166068241 /nfs/dbraw/zinc/06/82/41/166068241.db2.gz RLHVMWVVYJDSHS-BDFSQKFJSA-N 0 0 148.249 3.641 10 0 AHAERN CO[C@H](C)c1ccc(CC(C)C)cc1 ZINC000135781883 573552097 /nfs/dbraw/zinc/55/20/97/573552097.db2.gz CXJYXHFRLZJNKT-LLVKDONJSA-N 0 0 192.302 3.593 10 0 AHAERN CO[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000135781919 573547869 /nfs/dbraw/zinc/54/78/69/573547869.db2.gz CXJYXHFRLZJNKT-NSHDSACASA-N 0 0 192.302 3.593 10 0 AHAERN CCCC[C@H](C)OCc1ccccc1 ZINC000135781960 573551738 /nfs/dbraw/zinc/55/17/38/573551738.db2.gz GFYNJECUYRXGEL-LBPRGKRZSA-N 0 0 192.302 3.782 10 0 AHAERN C/C=C1\CCCC(C)(C)C1 ZINC000135815938 573565058 /nfs/dbraw/zinc/56/50/58/573565058.db2.gz MXLZNYVBOLZXGL-RUDMXATFSA-N 0 0 138.254 3.533 10 0 AHAERN C/C=C(C)/C=C/c1ccccc1 ZINC000135873797 343969618 /nfs/dbraw/zinc/96/96/18/343969618.db2.gz DTVMCZXHCVZABV-VVVHQUFHSA-N 0 0 158.244 3.666 10 0 AHAERN CCCC[C@@H](O)[C@@H]1CCC(C)=C[C@H]1C ZINC000135877720 573636274 /nfs/dbraw/zinc/63/62/74/573636274.db2.gz AIUPLWNFVHFDRR-JHJVBQTASA-N 0 0 196.334 3.530 10 0 AHAERN COC=C1CCC(C(C)(C)C)CC1 ZINC000135879068 573637315 /nfs/dbraw/zinc/63/73/15/573637315.db2.gz DZKAJJZGSCBXPO-UHFFFAOYSA-N 0 0 182.307 3.753 10 0 AHAERN CC(C)CCC1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000135881489 573637503 /nfs/dbraw/zinc/63/75/03/573637503.db2.gz NAQRGRASVQCNKC-GHMZBOCLSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)=CCC1[C@@H](C)CC(=O)C[C@@H]1C ZINC000135881528 573632948 /nfs/dbraw/zinc/63/29/48/573632948.db2.gz WRDVCBWZNKZSNG-QWRGUYRKSA-N 0 0 194.318 3.594 10 0 AHAERN CCC(=CCc1ccccc1)CC ZINC000135954622 573687773 /nfs/dbraw/zinc/68/77/73/573687773.db2.gz GTMNROCFJMBFPK-UHFFFAOYSA-N 0 0 174.287 3.976 10 0 AHAERN F/C(=C/C1CCCC1)C(F)(F)F ZINC000135955868 343972307 /nfs/dbraw/zinc/97/23/07/343972307.db2.gz KNZZETDOVXSDLG-FNORWQNLSA-N 0 0 182.160 3.592 10 0 AHAERN CCCCC1=C[C@H](C)CC1 ZINC000135957901 573701010 /nfs/dbraw/zinc/70/10/10/573701010.db2.gz XZWJSYOVJFWQLO-SECBINFHSA-N 0 0 138.254 3.533 10 0 AHAERN CCCCC1=C[C@@H](C)CC1 ZINC000135957938 573697761 /nfs/dbraw/zinc/69/77/61/573697761.db2.gz XZWJSYOVJFWQLO-VIFPVBQESA-N 0 0 138.254 3.533 10 0 AHAERN CC/C=C/CCOCc1ccccc1 ZINC000135978379 573716230 /nfs/dbraw/zinc/71/62/30/573716230.db2.gz PCHRJGRKKJOULQ-ONEGZZNKSA-N 0 0 190.286 3.560 10 0 AHAERN CC/C=C/CCC/C=C/OCC ZINC000135982984 573716905 /nfs/dbraw/zinc/71/69/05/573716905.db2.gz QMZAWOWCSLVFKC-RINXSNKBSA-N 0 0 168.280 3.673 10 0 AHAERN CCCC/C=C(/C)CCC ZINC000136009107 573774724 /nfs/dbraw/zinc/77/47/24/573774724.db2.gz VHLDUDJLFKAZEF-KTKRTIGZSA-N 0 0 140.270 3.923 10 0 AHAERN CC1(C)CCCC(C)(C)C1=C=S ZINC000136226524 343977626 /nfs/dbraw/zinc/97/76/26/343977626.db2.gz LABDEHMCFFYOLL-UHFFFAOYSA-N 0 0 182.332 3.748 10 0 AHAERN CPC(C)(C)CC(C)(C)C ZINC000136406666 343980955 /nfs/dbraw/zinc/98/09/55/343980955.db2.gz QWLCEGTUVSHDKM-UHFFFAOYSA-N 0 0 160.241 3.510 10 0 AHAERN CCCCCc1cccc(F)c1F ZINC000136432255 343980914 /nfs/dbraw/zinc/98/09/14/343980914.db2.gz AZZMPHCBQYKDLF-UHFFFAOYSA-N 0 0 184.229 3.698 10 0 AHAERN C1=CC2(CCCC2)c2ccccc21 ZINC000136527929 343981516 /nfs/dbraw/zinc/98/15/16/343981516.db2.gz JUPFIGGSENJBQL-UHFFFAOYSA-N 0 0 170.255 3.525 10 0 AHAERN C/C=C/c1ccc(C(F)(F)F)cc1 ZINC000136612663 343981487 /nfs/dbraw/zinc/98/14/87/343981487.db2.gz RKSHYZZUJFUXEY-NSCUHMNNSA-N 0 0 186.176 3.739 10 0 AHAERN C/C(Cl)=C(\Cl)c1ccccc1 ZINC000136619738 343981351 /nfs/dbraw/zinc/98/13/51/343981351.db2.gz NJOGZQPWKLWDCN-VQHVLOKHSA-N 0 0 187.069 3.853 10 0 AHAERN CCCCCCSc1cccnc1 ZINC000136684885 343982037 /nfs/dbraw/zinc/98/20/37/343982037.db2.gz LBVMXEAJOWVKQI-UHFFFAOYSA-N 0 0 195.331 3.754 10 0 AHAERN CC(=C1C=CC=C1)c1ccccc1 ZINC000136764005 343982116 /nfs/dbraw/zinc/98/21/16/343982116.db2.gz MBNCGVQBXYMZSC-UHFFFAOYSA-N 0 0 168.239 3.586 10 0 AHAERN Cc1ccp(-c2ccccc2)c1 ZINC000136765775 343981912 /nfs/dbraw/zinc/98/19/12/343981912.db2.gz QKTXOWAFJRICPF-UHFFFAOYSA-N 0 0 174.183 3.971 10 0 AHAERN Cc1cc(C)c2c(c1)CCC=C2C ZINC000136794720 343982223 /nfs/dbraw/zinc/98/22/23/343982223.db2.gz DZKZNTPEIJHPEK-UHFFFAOYSA-N 0 0 172.271 3.653 10 0 AHAERN Fc1ccccc1/C=C/c1ccccc1 ZINC000136819065 343982377 /nfs/dbraw/zinc/98/23/77/343982377.db2.gz FMGVTMQBJISCFC-ZHACJKMWSA-N 0 0 198.240 3.996 10 0 AHAERN FC(F)(F)C/C=C/c1ccccc1 ZINC000136865567 343982320 /nfs/dbraw/zinc/98/23/20/343982320.db2.gz FWZOOPLHGYIYCO-QPJJXVBHSA-N 0 0 186.176 3.652 10 0 AHAERN Cc1ccc(C=C(Cl)Cl)cc1 ZINC000136892163 343982292 /nfs/dbraw/zinc/98/22/92/343982292.db2.gz CRPCJWJODHZMKT-UHFFFAOYSA-N 0 0 187.069 3.771 10 0 AHAERN CSc1cc2ccccc2s1 ZINC000136955407 168309284 /nfs/dbraw/zinc/30/92/84/168309284.db2.gz CTDNQMZRPZJNLM-UHFFFAOYSA-N 0 0 180.297 3.623 10 0 AHAERN c1ccc2cc(C3CC3)ccc2c1 ZINC000137013281 343983378 /nfs/dbraw/zinc/98/33/78/343983378.db2.gz MLDQQAAMQUQYQR-UHFFFAOYSA-N 0 0 168.239 3.717 10 0 AHAERN C=C/C=C/c1ccc(C(F)(F)F)cc1 ZINC000137283103 343984650 /nfs/dbraw/zinc/98/46/50/343984650.db2.gz BKIGIIQTVZFVSW-ONEGZZNKSA-N 0 0 198.187 3.905 10 0 AHAERN C[C@@H]1CCCC[C@@H]1c1ccccc1N ZINC000137484197 343985804 /nfs/dbraw/zinc/98/58/04/343985804.db2.gz AWOMMNJENIXHKL-MNOVXSKESA-N 0 0 189.302 3.563 10 0 AHAERN C[C@H]1CCCC[C@@H]1c1ccccc1N ZINC000137484237 343985885 /nfs/dbraw/zinc/98/58/85/343985885.db2.gz AWOMMNJENIXHKL-QWRGUYRKSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@@H]1CCCC[C@H]1c1ccccc1N ZINC000137484281 343985775 /nfs/dbraw/zinc/98/57/75/343985775.db2.gz AWOMMNJENIXHKL-GHMZBOCLSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@H]1CCCC[C@H]1c1ccccc1N ZINC000137484322 343985906 /nfs/dbraw/zinc/98/59/06/343985906.db2.gz AWOMMNJENIXHKL-WDEREUQCSA-N 0 0 189.302 3.563 10 0 AHAERN CS[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000137580605 343986250 /nfs/dbraw/zinc/98/62/50/343986250.db2.gz VVQLBLMVXNJUIX-KKZNHRDASA-N 0 0 184.348 3.564 10 0 AHAERN CC[C@H](C)/C=C/[C@H](C)C(C)C ZINC000137625217 167593350 /nfs/dbraw/zinc/59/33/50/167593350.db2.gz BPHPRVXZLWQTOR-IJUHFESZSA-N 0 0 154.297 3.881 10 0 AHAERN CC(=O)c1c(C)c(C)cc2ccccc21 ZINC000137716150 343986941 /nfs/dbraw/zinc/98/69/41/343986941.db2.gz UDYAERDXMUUUAB-UHFFFAOYSA-N 0 0 198.265 3.659 10 0 AHAERN C=C/C=C/[C@H](C)c1ccccc1 ZINC000137816477 343986653 /nfs/dbraw/zinc/98/66/53/343986653.db2.gz ACCXAJIZJJUDAK-VUQUXZKVSA-N 0 0 158.244 3.532 10 0 AHAERN C=C/C=C/[C@@H](C)c1ccccc1 ZINC000137816573 343986832 /nfs/dbraw/zinc/98/68/32/343986832.db2.gz ACCXAJIZJJUDAK-SOZJPDODSA-N 0 0 158.244 3.532 10 0 AHAERN CC(C)C=C1CCCCC1 ZINC000137863217 537991343 /nfs/dbraw/zinc/99/13/43/537991343.db2.gz QEOPKTQUBRDIRH-UHFFFAOYSA-N 0 0 138.254 3.533 10 0 AHAERN O=Cc1cc(C2=CCCCC2)cs1 ZINC000137870786 343987305 /nfs/dbraw/zinc/98/73/05/343987305.db2.gz AFSDUQUGFYLRBA-UHFFFAOYSA-N 0 0 192.283 3.518 10 0 AHAERN Cc1[nH]c2ccccc2c1C(C)(C)C ZINC000137893393 343987140 /nfs/dbraw/zinc/98/71/40/343987140.db2.gz DPOBYUOBYKJOLR-UHFFFAOYSA-N 0 0 187.286 3.774 10 0 AHAERN CC1=C(C)C(C(F)(F)F)C(C)=C1C ZINC000137898419 343987333 /nfs/dbraw/zinc/98/73/33/343987333.db2.gz ZXJPOJMXUDEMRY-UHFFFAOYSA-N 0 0 190.208 3.851 10 0 AHAERN CC(C)(C)c1ccc(C(F)F)cc1 ZINC000138147144 343988028 /nfs/dbraw/zinc/98/80/28/343988028.db2.gz ANQMTLKEAKYWEZ-UHFFFAOYSA-N 0 0 184.229 3.922 10 0 AHAERN C=C/C=C(\c1ccccc1)C(F)(F)F ZINC000138378213 351743546 /nfs/dbraw/zinc/74/35/46/351743546.db2.gz YJOQPSXEBLWKKJ-UXBLZVDNSA-N 0 0 198.187 3.818 10 0 AHAERN CCc1cccc([C@@H](C)CC)c1 ZINC000138627016 343989756 /nfs/dbraw/zinc/98/97/56/343989756.db2.gz KTCNWORLNAKRDZ-JTQLQIEISA-N 0 0 162.276 3.763 10 0 AHAERN CCc1cccc([C@H](C)CC)c1 ZINC000138627138 343989954 /nfs/dbraw/zinc/98/99/54/343989954.db2.gz KTCNWORLNAKRDZ-SNVBAGLBSA-N 0 0 162.276 3.763 10 0 AHAERN CCc1ccc([C@@H](C)CC)cc1 ZINC000138627277 343989876 /nfs/dbraw/zinc/98/98/76/343989876.db2.gz WCBFCOJVLMFJHZ-JTQLQIEISA-N 0 0 162.276 3.763 10 0 AHAERN CCc1ccc([C@H](C)CC)cc1 ZINC000138627396 167742636 /nfs/dbraw/zinc/74/26/36/167742636.db2.gz WCBFCOJVLMFJHZ-SNVBAGLBSA-N 0 0 162.276 3.763 10 0 AHAERN CC12CCC(C)(CC1)c1ccccc12 ZINC000138661310 343989821 /nfs/dbraw/zinc/98/98/21/343989821.db2.gz FVICDBPPACZFIT-UHFFFAOYSA-N 0 0 186.298 3.790 10 0 AHAERN Cc1cc(C)c2c(c1)C=CC(C)(C)N2 ZINC000138767540 343990371 /nfs/dbraw/zinc/99/03/71/343990371.db2.gz JOPITALYRGHMCQ-UHFFFAOYSA-N 0 0 187.286 3.521 10 0 AHAERN Cc1ccc2c(c1C)NC(C)(C)C=C2 ZINC000138768893 343990360 /nfs/dbraw/zinc/99/03/60/343990360.db2.gz HZIVLEYYIDEDGL-UHFFFAOYSA-N 0 0 187.286 3.521 10 0 AHAERN C[C@H]1CCc2ccc3ccccc3c2N1 ZINC000138776007 573465954 /nfs/dbraw/zinc/46/59/54/573465954.db2.gz CVPMRWIENOQMBZ-JTQLQIEISA-N 0 0 197.281 3.586 10 0 AHAERN C/C=C(\C)CCc1ccccc1 ZINC000138785148 343990279 /nfs/dbraw/zinc/99/02/79/343990279.db2.gz FCEPULKDTPHRLZ-QDEBKDIKSA-N 0 0 160.260 3.585 10 0 AHAERN CSc1csc2ccccc12 ZINC000138793701 573464984 /nfs/dbraw/zinc/46/49/84/573464984.db2.gz HWYAMLASZGUXGB-UHFFFAOYSA-N 0 0 180.297 3.623 10 0 AHAERN C[C@H]1CCC[C@]1(C)c1ccccc1 ZINC000138805907 571749788 /nfs/dbraw/zinc/74/97/88/571749788.db2.gz OQWVSBQJVFKBCG-AAEUAGOBSA-N 0 0 174.287 3.764 10 0 AHAERN Cc1cc(O)ccc1C1=CCCCC1 ZINC000138835819 571752674 /nfs/dbraw/zinc/75/26/74/571752674.db2.gz SURJRGVJWXSZAW-UHFFFAOYSA-N 0 0 188.270 3.658 10 0 AHAERN Cc1c(O)cccc1C1CCCCC1 ZINC000138979123 571863887 /nfs/dbraw/zinc/86/38/87/571863887.db2.gz ATYUFZQNJIZDJQ-UHFFFAOYSA-N 0 0 190.286 3.748 10 0 AHAERN CC(C)=CCc1c(C)cc(O)cc1C ZINC000139067908 571872207 /nfs/dbraw/zinc/87/22/07/571872207.db2.gz OHMMAXOUDREAGC-UHFFFAOYSA-N 0 0 190.286 3.518 10 0 AHAERN CCC(CC)c1ccccc1NC ZINC000139145914 571891962 /nfs/dbraw/zinc/89/19/62/571891962.db2.gz XTLGEFZENVUDSO-UHFFFAOYSA-N 0 0 177.291 3.632 10 0 AHAERN CCCCCCN=Nc1ccccc1 ZINC000139250900 573635514 /nfs/dbraw/zinc/63/55/14/573635514.db2.gz BRLDJXRVGFQDAP-QBFSEMIESA-N 0 0 190.290 3.665 10 0 AHAERN CCCC/C=C\C/C=C(\C)CCCO ZINC000139541978 571722066 /nfs/dbraw/zinc/72/20/66/571722066.db2.gz HRFCJTUNIIVGOQ-MZAZUOCOSA-N 0 0 196.334 3.842 10 0 AHAERN FC(F)=C(F)/C=C/c1ccccc1 ZINC000139613840 343995815 /nfs/dbraw/zinc/99/58/15/343995815.db2.gz UJDQAVASRXCZAS-VOTSOKGWSA-N 0 0 184.160 3.777 10 0 AHAERN CCc1ccc2cccc(CC)c2c1 ZINC000139698359 571725083 /nfs/dbraw/zinc/72/50/83/571725083.db2.gz FEDNNRDUJQPTAD-UHFFFAOYSA-N 0 0 184.282 3.965 10 0 AHAERN CCC[C@@H](C)C(=O)c1cc(C)cs1 ZINC000139721501 571724475 /nfs/dbraw/zinc/72/44/75/571724475.db2.gz WHXHRDDZKSYZEP-SECBINFHSA-N 0 0 196.315 3.675 10 0 AHAERN CCC[C@H](C)C(=O)c1cc(C)cs1 ZINC000139721641 571724712 /nfs/dbraw/zinc/72/47/12/571724712.db2.gz WHXHRDDZKSYZEP-VIFPVBQESA-N 0 0 196.315 3.675 10 0 AHAERN Fc1c(Cl)ccc(Cl)c1Cl ZINC000139729752 343996394 /nfs/dbraw/zinc/99/63/94/343996394.db2.gz DRFNYCPCRHLHGX-UHFFFAOYSA-N 0 0 199.439 3.786 10 0 AHAERN CC1(C)CCC[C@@]2(C)CCCC(=O)[C@@H]12 ZINC000139797172 571725278 /nfs/dbraw/zinc/72/52/78/571725278.db2.gz GIWMQDLRRWEQNE-WCQYABFASA-N 0 0 194.318 3.572 10 0 AHAERN CCC(C)(CC)Nc1ccccc1 ZINC000139963175 571992860 /nfs/dbraw/zinc/99/28/60/571992860.db2.gz SPWKIZIVWPNBTB-UHFFFAOYSA-N 0 0 177.291 3.677 10 0 AHAERN CCc1ccc(Cl)c(Cl)c1C ZINC000140000242 343997428 /nfs/dbraw/zinc/99/74/28/343997428.db2.gz IAOFXDBABLBBCX-UHFFFAOYSA-N 0 0 189.085 3.864 10 0 AHAERN CCCCCC=C(Cl)Cl ZINC000140166230 571726686 /nfs/dbraw/zinc/72/66/86/571726686.db2.gz SHIGTIVKNFPBPY-UHFFFAOYSA-N 0 0 167.079 3.886 10 0 AHAERN C[C@@H]1CCC/C1=C\c1ccccc1 ZINC000140168748 571726174 /nfs/dbraw/zinc/72/61/74/571726174.db2.gz KRNZUAGQOYHZSO-BVRAVYJCSA-N 0 0 172.271 3.890 10 0 AHAERN C[C@H]1CCC/C1=C\c1ccccc1 ZINC000140169040 571729170 /nfs/dbraw/zinc/72/91/70/571729170.db2.gz KRNZUAGQOYHZSO-CDDSVFCYSA-N 0 0 172.271 3.890 10 0 AHAERN CCCC[C@@H](C)c1cccc(C)n1 ZINC000140188480 571727166 /nfs/dbraw/zinc/72/71/66/571727166.db2.gz ZLNAGNPGFQLJTC-SNVBAGLBSA-N 0 0 177.291 3.684 10 0 AHAERN CCCCc1ccc(CCCC)nc1 ZINC000140189062 571787337 /nfs/dbraw/zinc/78/73/37/571787337.db2.gz AFWDIZWRRROOCQ-UHFFFAOYSA-N 0 0 191.318 3.767 10 0 AHAERN Cc1cc2ccccc2c2[nH]ccc21 ZINC000140198751 571790798 /nfs/dbraw/zinc/79/07/98/571790798.db2.gz RYZVSXZCINFUEW-UHFFFAOYSA-N 0 0 181.238 3.630 10 0 AHAERN CCCCCC(=O)[C@@H](C)CCCC ZINC000140208752 571731588 /nfs/dbraw/zinc/73/15/88/571731588.db2.gz XVTXMSHJJIRODZ-NSHDSACASA-N 0 0 184.323 3.962 10 0 AHAERN CCCCCC(=O)[C@H](C)CCCC ZINC000140208896 571730219 /nfs/dbraw/zinc/73/02/19/571730219.db2.gz XVTXMSHJJIRODZ-LLVKDONJSA-N 0 0 184.323 3.962 10 0 AHAERN CCCCc1c[nH]c2c1cccc2C ZINC000140216027 571789926 /nfs/dbraw/zinc/78/99/26/571789926.db2.gz IZNUHFOHTCNDQV-UHFFFAOYSA-N 0 0 187.286 3.819 10 0 AHAERN CC(=O)P(C(C)(C)C)C(C)(C)C ZINC000140223589 343999166 /nfs/dbraw/zinc/99/91/66/343999166.db2.gz CNBRRNFZBCBIBQ-UHFFFAOYSA-N 0 0 188.251 3.612 10 0 AHAERN CC(C)=C(C)Cc1cccc(C)c1O ZINC000140224956 571790562 /nfs/dbraw/zinc/79/05/62/571790562.db2.gz JDLQETPVDSIGDY-UHFFFAOYSA-N 0 0 190.286 3.599 10 0 AHAERN CCCCC1CCCCC1 ZINC000140226281 571727499 /nfs/dbraw/zinc/72/74/99/571727499.db2.gz GLRQGFMRGLGUMR-UHFFFAOYSA-N 0 0 139.262 3.571 10 0 AHAERN CCC[C@]1(C)C=Cc2ccccc2N1 ZINC000140492410 344000486 /nfs/dbraw/zinc/00/04/86/344000486.db2.gz AJGHKNGCPDBGSK-CYBMUJFWSA-N 0 0 187.286 3.684 10 0 AHAERN CCC[C@@]1(C)C=Cc2ccccc2N1 ZINC000140492575 344000677 /nfs/dbraw/zinc/00/06/77/344000677.db2.gz AJGHKNGCPDBGSK-ZDUSSCGKSA-N 0 0 187.286 3.684 10 0 AHAERN CCCC/C=C/OC(=O)CCCCC ZINC000140515599 571737250 /nfs/dbraw/zinc/73/72/50/571737250.db2.gz WCLULVFNXDFNHL-PKNBQFBNSA-N 0 0 198.306 3.814 10 0 AHAERN C1C[C@@H]2C[C@H](C1)CCCCC2 ZINC000140534005 571734472 /nfs/dbraw/zinc/73/44/72/571734472.db2.gz BAJIUXJJEOUUDP-PHIMTYICSA-N 0 0 152.281 3.757 10 0 AHAERN C/C=C/CNc1ccc(Cl)cc1C ZINC000140539736 344000507 /nfs/dbraw/zinc/00/05/07/344000507.db2.gz SHQJYQVROKWHII-ONEGZZNKSA-N 0 0 195.693 3.636 10 0 AHAERN CC[C@H](C)[C@@H](C)[C@@H]1CC1(Cl)Cl ZINC000140712563 572608001 /nfs/dbraw/zinc/60/80/01/572608001.db2.gz VUXXDFQKOBXCNO-RNJXMRFFSA-N 0 0 195.133 3.862 10 0 AHAERN CC[C@H](C)[C@H](C)[C@@H]1CC1(Cl)Cl ZINC000140712935 572606761 /nfs/dbraw/zinc/60/67/61/572606761.db2.gz VUXXDFQKOBXCNO-FXQIFTODSA-N 0 0 195.133 3.862 10 0 AHAERN CC[C@@H]1CC[C@@H](C)[C@H](CC)C1 ZINC000140747725 572603430 /nfs/dbraw/zinc/60/34/30/572603430.db2.gz IOHRVVBGMVEXIN-GMTAPVOTSA-N 0 0 154.297 3.859 10 0 AHAERN CC[C@@H]1CCC[C@H](C)[C@@H]1CC ZINC000140750013 572602010 /nfs/dbraw/zinc/60/20/10/572602010.db2.gz DGTVJPPECBACBB-AXFHLTTASA-N 0 0 154.297 3.859 10 0 AHAERN CC(C)=CC=C1CCCCC1 ZINC000140781469 571743721 /nfs/dbraw/zinc/74/37/21/571743721.db2.gz UPVIQKCWVGKZGU-UHFFFAOYSA-N 0 0 150.265 3.843 10 0 AHAERN C=C(C=C=C(C)C)c1ccccc1 ZINC000140782803 571743140 /nfs/dbraw/zinc/74/31/40/571743140.db2.gz SYVCWRIGLNRENL-UHFFFAOYSA-N 0 0 170.255 3.821 10 0 AHAERN CC(C)=CCCC(C)(C)Cl ZINC000140783914 571742299 /nfs/dbraw/zinc/74/22/99/571742299.db2.gz NHZVCIKTYIEASL-UHFFFAOYSA-N 0 0 160.688 3.750 10 0 AHAERN CC(CCc1ccccc1)=C1CC1 ZINC000140784183 571743919 /nfs/dbraw/zinc/74/39/19/571743919.db2.gz IDUKVGJPVVRNQY-UHFFFAOYSA-N 0 0 172.271 3.730 10 0 AHAERN CC(C)[C@@H](C)C1CCCCC1 ZINC000140784785 572608235 /nfs/dbraw/zinc/60/82/35/572608235.db2.gz FGMIBQACCWIIBU-SNVBAGLBSA-N 0 0 154.297 3.859 10 0 AHAERN CC(C)[C@H](C)C1CCCCC1 ZINC000140784962 572609520 /nfs/dbraw/zinc/60/95/20/572609520.db2.gz FGMIBQACCWIIBU-JTQLQIEISA-N 0 0 154.297 3.859 10 0 AHAERN C=CC(Cl)=C1CCCCC1 ZINC000140794576 166162747 /nfs/dbraw/zinc/16/27/47/166162747.db2.gz RYTPMFWJYAVNBH-UHFFFAOYSA-N 0 0 156.656 3.629 10 0 AHAERN CCC(C)(C)CC[C@@](C)(CC)CO ZINC000140840419 571744670 /nfs/dbraw/zinc/74/46/70/571744670.db2.gz UMOZCWANMHTZSO-GFCCVEGCSA-N 0 0 186.339 3.611 10 0 AHAERN CCC(C)(C)CC[C@](C)(CC)CO ZINC000140840600 571744896 /nfs/dbraw/zinc/74/48/96/571744896.db2.gz UMOZCWANMHTZSO-LBPRGKRZSA-N 0 0 186.339 3.611 10 0 AHAERN Cc1cccc2c1[C@H](C)[C@H](C)[C@@H]2C ZINC000140869814 571748282 /nfs/dbraw/zinc/74/82/82/571748282.db2.gz CJEMMSCQGDSPAB-OUAUKWLOSA-N 0 0 174.287 3.852 10 0 AHAERN Cc1cccc2c1[C@H](C)[C@@H](C)[C@@H]2C ZINC000140870139 571746497 /nfs/dbraw/zinc/74/64/97/571746497.db2.gz CJEMMSCQGDSPAB-GARJFASQSA-N 0 0 174.287 3.852 10 0 AHAERN C/C=C(\CC)c1ccc(F)cc1 ZINC000140871576 571745226 /nfs/dbraw/zinc/74/52/26/571745226.db2.gz NLEMMVOOIXUVIW-YCRREMRBSA-N 0 0 164.223 3.639 10 0 AHAERN CC(C)=C(c1ccccc1N)C(C)C ZINC000140893968 572615935 /nfs/dbraw/zinc/61/59/35/572615935.db2.gz UCAVHJSQEQGQNX-UHFFFAOYSA-N 0 0 189.302 3.718 10 0 AHAERN c1cn(C2CCCC2)c2ccccc12 ZINC000141058799 572378136 /nfs/dbraw/zinc/37/81/36/572378136.db2.gz MDODNOUCLHFLQZ-UHFFFAOYSA-N 0 0 185.270 3.756 10 0 AHAERN CSc1ccc(CC2CCC2)cc1 ZINC000141076211 572376031 /nfs/dbraw/zinc/37/60/31/572376031.db2.gz ADJMJEOWSHCQIM-UHFFFAOYSA-N 0 0 192.327 3.751 10 0 AHAERN CC(C)c1cccc([C@@H](C)CF)c1O ZINC000141088245 572378872 /nfs/dbraw/zinc/37/88/72/572378872.db2.gz CKWCDDSEZZSARM-VIFPVBQESA-N 0 0 196.265 3.589 10 0 AHAERN CC(C)c1cccc([C@H](C)CF)c1O ZINC000141088356 572376727 /nfs/dbraw/zinc/37/67/27/572376727.db2.gz CKWCDDSEZZSARM-SECBINFHSA-N 0 0 196.265 3.589 10 0 AHAERN CCCc1cc(C)c(O)cc1C(C)C ZINC000141165524 572927374 /nfs/dbraw/zinc/92/73/74/572927374.db2.gz LUXHCYMYBPWEAA-UHFFFAOYSA-N 0 0 192.302 3.777 10 0 AHAERN CC(C)(C)c1cc2ccc(F)cc2[nH]1 ZINC000141185691 537994432 /nfs/dbraw/zinc/99/44/32/537994432.db2.gz XXFJXDQNKTXIRQ-UHFFFAOYSA-N 0 0 191.249 3.605 10 0 AHAERN C[C@@H]1CCCC[C@@H]1c1ccc(O)cc1 ZINC000141223786 572926440 /nfs/dbraw/zinc/92/64/40/572926440.db2.gz OSAZYSCAZJZINP-MFKMUULPSA-N 0 0 190.286 3.686 10 0 AHAERN C[C@@H]1CCCC[C@H]1c1ccc(O)cc1 ZINC000141224171 572926061 /nfs/dbraw/zinc/92/60/61/572926061.db2.gz OSAZYSCAZJZINP-ZWNOBZJWSA-N 0 0 190.286 3.686 10 0 AHAERN C[C@H]1CCCC[C@H]1c1ccc(O)cc1 ZINC000141224296 572926605 /nfs/dbraw/zinc/92/66/05/572926605.db2.gz OSAZYSCAZJZINP-GXFFZTMASA-N 0 0 190.286 3.686 10 0 AHAERN CCCC[C@H](O)C(C)(C)C(C)(C)C ZINC000141299793 571755353 /nfs/dbraw/zinc/75/53/53/571755353.db2.gz JCBDEFXKOBLPJV-JTQLQIEISA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)c1cccc2c1CCCC2 ZINC000141299976 572484230 /nfs/dbraw/zinc/48/42/30/572484230.db2.gz SMXTUUACKUBADY-UHFFFAOYSA-N 0 0 174.287 3.689 10 0 AHAERN F/C(Cl)=C(\Cl)c1ccccc1 ZINC000141403976 571755420 /nfs/dbraw/zinc/75/54/20/571755420.db2.gz IZCJEOSACVGSIA-FPLPWBNLSA-N 0 0 191.032 3.760 10 0 AHAERN CCc1c(Cl)cc(F)cc1Cl ZINC000141468813 344006196 /nfs/dbraw/zinc/00/61/96/344006196.db2.gz LBUPNDBXGPUXNX-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN C=C(Cl)C=C1CCCCC1 ZINC000141661122 171159782 /nfs/dbraw/zinc/15/97/82/171159782.db2.gz RZPHHAHHYZKBKC-UHFFFAOYSA-N 0 0 156.656 3.629 10 0 AHAERN Cc1nc2ccc(C)c(Cl)c2s1 ZINC000141676388 572797104 /nfs/dbraw/zinc/79/71/04/572797104.db2.gz CSWANUGSFCWZOA-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN CCC[C@@H](C)CCC[C@@H](C)CCO ZINC000141736463 344007737 /nfs/dbraw/zinc/00/77/37/344007737.db2.gz XVZNVIKOQQWHSP-VXGBXAGGSA-N 0 0 186.339 3.611 10 0 AHAERN CCCCC(Cl)(Cl)CC ZINC000141753255 573009208 /nfs/dbraw/zinc/00/92/08/573009208.db2.gz AANRJKCEWDBIOR-UHFFFAOYSA-N 0 0 169.095 3.761 10 0 AHAERN CC(C)c1c[nH]c2c1cc(F)cc2F ZINC000141837007 573037853 /nfs/dbraw/zinc/03/78/53/573037853.db2.gz RBEOPUHGCBLAGY-UHFFFAOYSA-N 0 0 195.212 3.570 10 0 AHAERN C[C@H]1CC[C@H](C(C)(C)C)CC1 ZINC000141852808 344008668 /nfs/dbraw/zinc/00/86/68/344008668.db2.gz YCLKWKCHQLIGTA-AOOOYVTPSA-N 0 0 154.297 3.859 10 0 AHAERN C[C@H]1CC[C@@H](C(C)(C)C)CC1 ZINC000141855608 344008603 /nfs/dbraw/zinc/00/86/03/344008603.db2.gz YCLKWKCHQLIGTA-MGCOHNPYSA-N 0 0 154.297 3.859 10 0 AHAERN CCCc1c[nH]c2ccc(Cl)cc12 ZINC000141857423 351745664 /nfs/dbraw/zinc/74/56/64/351745664.db2.gz WVYVDDMESPHTLN-UHFFFAOYSA-N 0 0 193.677 3.774 10 0 AHAERN CCCC(=CBr)CCC ZINC000141863543 573064333 /nfs/dbraw/zinc/06/43/33/573064333.db2.gz DNBYLKYGPMQNGZ-UHFFFAOYSA-N 0 0 191.112 3.865 10 0 AHAERN Cc1coc2c1ccc1ccccc21 ZINC000141962254 573136630 /nfs/dbraw/zinc/13/66/30/573136630.db2.gz VYWCUJCEUVIWID-UHFFFAOYSA-N 0 0 182.222 3.894 10 0 AHAERN CCc1ccc(F)c(C(C)C)c1 ZINC000141993198 571762319 /nfs/dbraw/zinc/76/23/19/571762319.db2.gz QNNPNTXQHLEDTC-UHFFFAOYSA-N 0 0 166.239 3.512 10 0 AHAERN Cc1cc(C(C)(C)C)ccc1Cl ZINC000142023385 571765393 /nfs/dbraw/zinc/76/53/93/571765393.db2.gz HDZSNTILWXGPQC-UHFFFAOYSA-N 0 0 182.694 3.946 10 0 AHAERN Cc1oc2cc(C)cc(C)c2c1C ZINC000142063912 573116683 /nfs/dbraw/zinc/11/66/83/573116683.db2.gz FQZMGCPWNJJTPB-UHFFFAOYSA-N 0 0 174.243 3.666 10 0 AHAERN Cc1cc(C(C)(C)C)cc(Cl)c1N ZINC000142089866 573116147 /nfs/dbraw/zinc/11/61/47/573116147.db2.gz WFIQXFYCMILHEY-UHFFFAOYSA-N 0 0 197.709 3.528 10 0 AHAERN Cc1c(Cl)cc(CF)cc1Cl ZINC000142102720 573182588 /nfs/dbraw/zinc/18/25/88/573182588.db2.gz LJMWTGABJHWPEW-UHFFFAOYSA-N 0 0 193.048 3.771 10 0 AHAERN CC[C@@](C)(C#N)c1ccccc1Cl ZINC000142177416 573185759 /nfs/dbraw/zinc/18/57/59/573185759.db2.gz JUHLBIGPERVQNE-NSHDSACASA-N 0 0 193.677 3.531 10 0 AHAERN CC[C@@H](C)[C@@H](C)c1ccc(O)cc1 ZINC000142227945 573191201 /nfs/dbraw/zinc/19/12/01/573191201.db2.gz NPXUROSERGBLTC-NXEZZACHSA-N 0 0 178.275 3.542 10 0 AHAERN CC[C@H](C)[C@@H](C)c1ccc(O)cc1 ZINC000142228150 573191334 /nfs/dbraw/zinc/19/13/34/573191334.db2.gz NPXUROSERGBLTC-VHSXEESVSA-N 0 0 178.275 3.542 10 0 AHAERN CC[C@@H](C)[C@H](C)c1ccc(O)cc1 ZINC000142228343 573189207 /nfs/dbraw/zinc/18/92/07/573189207.db2.gz NPXUROSERGBLTC-ZJUUUORDSA-N 0 0 178.275 3.542 10 0 AHAERN CCCc1cc(C(C)C)c(O)cc1C ZINC000142241916 573193346 /nfs/dbraw/zinc/19/33/46/573193346.db2.gz OEZHIIWBCXJXPK-UHFFFAOYSA-N 0 0 192.302 3.777 10 0 AHAERN CC1=C[C@H](Nc2ccccc2)CCC1 ZINC000142360169 573267343 /nfs/dbraw/zinc/26/73/43/573267343.db2.gz ZCIOZAUSOJVHDW-CYBMUJFWSA-N 0 0 187.286 3.597 10 0 AHAERN CC1=C[C@@H](Nc2ccccc2)CCC1 ZINC000142360377 573267547 /nfs/dbraw/zinc/26/75/47/573267547.db2.gz ZCIOZAUSOJVHDW-ZDUSSCGKSA-N 0 0 187.286 3.597 10 0 AHAERN CCCCCC(=O)C(C)(C)CC ZINC000142372806 573475669 /nfs/dbraw/zinc/47/56/69/573475669.db2.gz ZVGMTMFGQBIHMI-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN Cc1ccc([C@@H](C)c2cccs2)o1 ZINC000142375268 344011867 /nfs/dbraw/zinc/01/18/67/344011867.db2.gz YIDUZYIWAZMSAQ-SECBINFHSA-N 0 0 192.283 3.801 10 0 AHAERN Cc1ccc([C@H](C)c2cccs2)o1 ZINC000142375463 344011784 /nfs/dbraw/zinc/01/17/84/344011784.db2.gz YIDUZYIWAZMSAQ-VIFPVBQESA-N 0 0 192.283 3.801 10 0 AHAERN CCC(CC)C1=CCCCC1 ZINC000142573628 344013553 /nfs/dbraw/zinc/01/35/53/344013553.db2.gz SSNICVBSTNORCG-UHFFFAOYSA-N 0 0 152.281 3.923 10 0 AHAERN COc1cccc2cc(Cl)ccc21 ZINC000142615784 344013456 /nfs/dbraw/zinc/01/34/56/344013456.db2.gz CYQGHXUYGXYQHA-UHFFFAOYSA-N 0 0 192.645 3.502 10 0 AHAERN C=C/C=C/CC1CCCCC1 ZINC000142711764 573612145 /nfs/dbraw/zinc/61/21/45/573612145.db2.gz UFAVJPOVFSJNGO-HWKANZROSA-N 0 0 150.265 3.699 10 0 AHAERN Cc1ccc2c(C)c(Cl)ccc2n1 ZINC000142757487 344014161 /nfs/dbraw/zinc/01/41/61/344014161.db2.gz FGQILYAASNMVHD-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CC[C@@H](C)c1ccc(Cl)c(C)c1N ZINC000142773201 573609120 /nfs/dbraw/zinc/60/91/20/573609120.db2.gz IIKVGVPRIWIHLZ-SSDOTTSWSA-N 0 0 197.709 3.744 10 0 AHAERN CC[C@H](C)c1ccc(Cl)c(C)c1N ZINC000142773353 573611431 /nfs/dbraw/zinc/61/14/31/573611431.db2.gz IIKVGVPRIWIHLZ-ZETCQYMHSA-N 0 0 197.709 3.744 10 0 AHAERN CC[C@@H](C)c1c(Cl)ccc(C)c1N ZINC000142773557 573609821 /nfs/dbraw/zinc/60/98/21/573609821.db2.gz FTQSKFPQLNHJAD-SSDOTTSWSA-N 0 0 197.709 3.744 10 0 AHAERN CC[C@H](C)c1c(Cl)ccc(C)c1N ZINC000142773730 573610326 /nfs/dbraw/zinc/61/03/26/573610326.db2.gz FTQSKFPQLNHJAD-ZETCQYMHSA-N 0 0 197.709 3.744 10 0 AHAERN CC(C)CCCC=CC=CCC=O ZINC000142802965 571779513 /nfs/dbraw/zinc/77/95/13/571779513.db2.gz HSKUJKKUXUCURD-VINFUMOZSA-N 0 0 180.291 3.997 10 0 AHAERN COc1cc2sccc2c(Cl)c1 ZINC000142827423 573620620 /nfs/dbraw/zinc/62/06/20/573620620.db2.gz UVFZJXYVMJELAO-UHFFFAOYSA-N 0 0 198.674 3.563 10 0 AHAERN CC1(C)CC(C)(C)CC(F)(F)C1 ZINC000142829805 344015419 /nfs/dbraw/zinc/01/54/19/344015419.db2.gz GHPWHYKLWRWRQH-UHFFFAOYSA-N 0 0 176.250 3.858 10 0 AHAERN Clc1ccc(C2CC2)cc1Cl ZINC000143157296 171159438 /nfs/dbraw/zinc/15/94/38/171159438.db2.gz IETABDJVXKPWIZ-UHFFFAOYSA-N 0 0 187.069 3.871 10 0 AHAERN CC1CCC(c2ccc(O)cc2)CC1 ZINC000143215618 573741301 /nfs/dbraw/zinc/74/13/01/573741301.db2.gz NLMVQZFBRACNBU-UHFFFAOYSA-N 0 0 190.286 3.686 10 0 AHAERN c1cc(-c2ccc3ccsc3c2)c[nH]1 ZINC000143258309 573736813 /nfs/dbraw/zinc/73/68/13/573736813.db2.gz AXOBAJZQGUOKPD-UHFFFAOYSA-N 0 0 199.278 3.896 10 0 AHAERN C=Cc1ccc(F)c2ccccc12 ZINC000143432584 344019504 /nfs/dbraw/zinc/01/95/04/344019504.db2.gz FDFFDZATIDQIBP-UHFFFAOYSA-N 0 0 172.202 3.622 10 0 AHAERN CC(C)Oc1cccc(F)c1C(C)C ZINC000143436337 571809389 /nfs/dbraw/zinc/80/93/89/571809389.db2.gz GTOHVOSWMSGKGI-UHFFFAOYSA-N 0 0 196.265 3.736 10 0 AHAERN Cc1ccc(C2=CCCC2)c(C)c1 ZINC000143486056 344019526 /nfs/dbraw/zinc/01/95/26/344019526.db2.gz WPUZKGMMQSKVJG-UHFFFAOYSA-N 0 0 172.271 3.871 10 0 AHAERN Clc1cc2c(cc1Cl)CC=C2 ZINC000143548865 573333696 /nfs/dbraw/zinc/33/36/96/573333696.db2.gz YXQCOYQBWHHOPI-UHFFFAOYSA-N 0 0 185.053 3.563 10 0 AHAERN Cc1cc(C2CC2)c2ccccc2c1N ZINC000143657449 344020879 /nfs/dbraw/zinc/02/08/79/344020879.db2.gz WVJITHIAHOEJLG-UHFFFAOYSA-N 0 0 197.281 3.608 10 0 AHAERN C[C@@H](c1ccccc1)C1CCC1 ZINC000143744449 351746679 /nfs/dbraw/zinc/74/66/79/351746679.db2.gz RIQGTOFTJRWXRX-JTQLQIEISA-N 0 0 160.260 3.590 10 0 AHAERN C[C@H](c1ccccc1)C1CCC1 ZINC000143744643 344022021 /nfs/dbraw/zinc/02/20/21/344022021.db2.gz RIQGTOFTJRWXRX-SNVBAGLBSA-N 0 0 160.260 3.590 10 0 AHAERN Cc1ccccc1C(F)=C(F)F ZINC000143746318 574032216 /nfs/dbraw/zinc/03/22/16/574032216.db2.gz QKGQMPKICMLWQN-UHFFFAOYSA-N 0 0 172.149 3.530 10 0 AHAERN Clc1coc(-c2ccccc2)c1 ZINC000143771142 574032769 /nfs/dbraw/zinc/03/27/69/574032769.db2.gz ALNVRIIWBOPCNF-UHFFFAOYSA-N 0 0 178.618 3.600 10 0 AHAERN c1c[nH]c(-c2ccc3sccc3c2)c1 ZINC000143801222 574032367 /nfs/dbraw/zinc/03/23/67/574032367.db2.gz OMRKHJQGRMBKLK-UHFFFAOYSA-N 0 0 199.278 3.896 10 0 AHAERN CCC1(CC)CC(=O)CC(C)(C)C1 ZINC000143801470 574032536 /nfs/dbraw/zinc/03/25/36/574032536.db2.gz ZDACPHHUWRPABZ-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCc1c(Cl)ccc(Cl)c1C ZINC000143877819 167720324 /nfs/dbraw/zinc/72/03/24/167720324.db2.gz VUWAOSJAJGBDMY-UHFFFAOYSA-N 0 0 189.085 3.864 10 0 AHAERN CCCCc1[nH]c2ccccc2c1C ZINC000143916535 573075631 /nfs/dbraw/zinc/07/56/31/573075631.db2.gz WYGABZUJPYIQPA-UHFFFAOYSA-N 0 0 187.286 3.819 10 0 AHAERN CSc1c[nH]c2cc(Cl)ccc12 ZINC000144005168 573117751 /nfs/dbraw/zinc/11/77/51/573117751.db2.gz ZIIZBFKVOFMSIS-UHFFFAOYSA-N 0 0 197.690 3.543 10 0 AHAERN c1cc(-c2ccc3sccc3c2)c[nH]1 ZINC000144116904 573426661 /nfs/dbraw/zinc/42/66/61/573426661.db2.gz XAILYTYMYHDXFC-UHFFFAOYSA-N 0 0 199.278 3.896 10 0 AHAERN Clc1ccc2c(ccn2C2CC2)c1 ZINC000144367429 344026652 /nfs/dbraw/zinc/02/66/52/344026652.db2.gz SXNKCSIRWOEQNL-UHFFFAOYSA-N 0 0 191.661 3.630 10 0 AHAERN CCC(=O)c1ccccc1C1CCC1 ZINC000144495102 573590806 /nfs/dbraw/zinc/59/08/06/573590806.db2.gz WKBYOSODEFLJSJ-UHFFFAOYSA-N 0 0 188.270 3.547 10 0 AHAERN CCCC/C=C\SC(C)C ZINC000144624872 344027938 /nfs/dbraw/zinc/02/79/38/344027938.db2.gz DBMKZZGIIOSAJS-FPLPWBNLSA-N 0 0 158.310 3.832 10 0 AHAERN Fc1ccc2ccc(Cl)cc2c1 ZINC000144662497 344028484 /nfs/dbraw/zinc/02/84/84/344028484.db2.gz BFQBQSSVNPIXOX-UHFFFAOYSA-N 0 0 180.609 3.632 10 0 AHAERN Fc1ccc2cccc(Cl)c2c1 ZINC000144662735 344028307 /nfs/dbraw/zinc/02/83/07/344028307.db2.gz ZODHXFYLZCSKNY-UHFFFAOYSA-N 0 0 180.609 3.632 10 0 AHAERN F/C=C/c1cccc2ccccc12 ZINC000144665704 344028558 /nfs/dbraw/zinc/02/85/58/344028558.db2.gz GRIXOBHPFFEMLW-CMDGGOBGSA-N 0 0 172.202 3.780 10 0 AHAERN C[C@]12CCCC[C@@H]1c1ccccc1N2 ZINC000144666511 573672581 /nfs/dbraw/zinc/67/25/81/573672581.db2.gz QQTUETAJDBGSBK-YPMHNXCESA-N 0 0 187.286 3.528 10 0 AHAERN C[C@@]12CCCC[C@H]1c1ccccc1N2 ZINC000144666711 573673194 /nfs/dbraw/zinc/67/31/94/573673194.db2.gz QQTUETAJDBGSBK-WCQYABFASA-N 0 0 187.286 3.528 10 0 AHAERN C[C@]12CCCC[C@H]1c1ccccc1N2 ZINC000144666919 573672043 /nfs/dbraw/zinc/67/20/43/573672043.db2.gz QQTUETAJDBGSBK-AAEUAGOBSA-N 0 0 187.286 3.528 10 0 AHAERN CCC(=O)c1ccccc1C(C)(C)C ZINC000144710829 344029031 /nfs/dbraw/zinc/02/90/31/344029031.db2.gz GCFUABFUGBTFBJ-UHFFFAOYSA-N 0 0 190.286 3.577 10 0 AHAERN Cc1c[nH]c2c1ccc1ccccc21 ZINC000144733634 573733987 /nfs/dbraw/zinc/73/39/87/573733987.db2.gz BDBKZJGWWRJAFP-UHFFFAOYSA-N 0 0 181.238 3.630 10 0 AHAERN C[C@H]1C[C@H](C)c2cccc(Cl)c2N1 ZINC000144739909 573736010 /nfs/dbraw/zinc/73/60/10/573736010.db2.gz XGJKOBRERBZYOZ-YUMQZZPRSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@@H]1C[C@H](C)c2cccc(Cl)c2N1 ZINC000144740345 573736325 /nfs/dbraw/zinc/73/63/25/573736325.db2.gz XGJKOBRERBZYOZ-JGVFFNPUSA-N 0 0 195.693 3.648 10 0 AHAERN CC(=O)C[C@@H](C)CCC(C)=C(C)C ZINC000144860617 571869476 /nfs/dbraw/zinc/86/94/76/571869476.db2.gz WJSDTOOTSCXTDL-JTQLQIEISA-N 0 0 182.307 3.738 10 0 AHAERN CC(=O)C[C@H](C)CCC(C)=C(C)C ZINC000144860814 571868232 /nfs/dbraw/zinc/86/82/32/571868232.db2.gz WJSDTOOTSCXTDL-SNVBAGLBSA-N 0 0 182.307 3.738 10 0 AHAERN CCOc1ccccc1C1CCCC1 ZINC000144889796 573744626 /nfs/dbraw/zinc/74/46/26/573744626.db2.gz ISLFORKRQWAZPY-UHFFFAOYSA-N 0 0 190.286 3.743 10 0 AHAERN CCCCC(=O)CCCC(C)C ZINC000144915498 573478036 /nfs/dbraw/zinc/47/80/36/573478036.db2.gz CZPREUXRMFQRKK-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN Clc1ccc2cscc2c1 ZINC000144974234 344030425 /nfs/dbraw/zinc/03/04/25/344030425.db2.gz FVRKTKAAZHKSCH-UHFFFAOYSA-N 0 0 168.648 3.555 10 0 AHAERN Fc1csc(-c2ccccc2)c1 ZINC000145063937 344030683 /nfs/dbraw/zinc/03/06/83/344030683.db2.gz JNQNVVOULIQMEQ-UHFFFAOYSA-N 0 0 178.231 3.554 10 0 AHAERN CCCCc1cc2ccc(F)cc2[nH]1 ZINC000145135235 573561518 /nfs/dbraw/zinc/56/15/18/573561518.db2.gz GHOMVVKUMVVKLL-UHFFFAOYSA-N 0 0 191.249 3.650 10 0 AHAERN CC(C)Oc1cccc(C(C)(C)C)c1 ZINC000145211232 573564472 /nfs/dbraw/zinc/56/44/72/573564472.db2.gz JEEULDDLKQIKBX-UHFFFAOYSA-N 0 0 192.302 3.771 10 0 AHAERN CC/C=C(\Cl)c1ccccc1 ZINC000145715038 344035457 /nfs/dbraw/zinc/03/54/57/344035457.db2.gz ONAQMVIXQXMCIL-POHAHGRESA-N 0 0 166.651 3.676 10 0 AHAERN CC/C=C(/Cl)c1ccccc1 ZINC000145715242 572063561 /nfs/dbraw/zinc/06/35/61/572063561.db2.gz ONAQMVIXQXMCIL-UXBLZVDNSA-N 0 0 166.651 3.676 10 0 AHAERN C[C@H]1c2ccccc2-c2ccc(O)cc21 ZINC000145815696 573993261 /nfs/dbraw/zinc/99/32/61/573993261.db2.gz VMRUPFCVMFLHTH-VIFPVBQESA-N 0 0 196.249 3.524 10 0 AHAERN C[C@@H]1c2ccccc2-c2ccc(O)cc21 ZINC000145815880 573995779 /nfs/dbraw/zinc/99/57/79/573995779.db2.gz VMRUPFCVMFLHTH-SECBINFHSA-N 0 0 196.249 3.524 10 0 AHAERN CC(C)/C=C/CCCCCCCO ZINC000145896301 573948472 /nfs/dbraw/zinc/94/84/72/573948472.db2.gz YWKNWGJFOPIMBB-CSKARUKUSA-N 0 0 184.323 3.532 10 0 AHAERN CC(C)/C=C\CCCCCCCO ZINC000145896948 573941275 /nfs/dbraw/zinc/94/12/75/573941275.db2.gz YWKNWGJFOPIMBB-NTMALXAHSA-N 0 0 184.323 3.532 10 0 AHAERN CC(C)CCCOc1ccc(F)cc1 ZINC000145977703 573694413 /nfs/dbraw/zinc/69/44/13/573694413.db2.gz HRXFQBPFUFUINV-UHFFFAOYSA-N 0 0 196.265 3.641 10 0 AHAERN CCCCC(=O)C(CCC)CCC ZINC000146046981 573576653 /nfs/dbraw/zinc/57/66/53/573576653.db2.gz ZHGVZNPOYNUEOA-UHFFFAOYSA-N 0 0 184.323 3.962 10 0 AHAERN CC(C)CCC[C@H](O)CC(C)(C)C ZINC000146069282 573714246 /nfs/dbraw/zinc/71/42/46/573714246.db2.gz WBJCTIUBEIKKBW-NSHDSACASA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)CCC[C@@H](O)CC(C)(C)C ZINC000146069465 573714764 /nfs/dbraw/zinc/71/47/64/573714764.db2.gz WBJCTIUBEIKKBW-LLVKDONJSA-N 0 0 186.339 3.610 10 0 AHAERN Cc1cc(C(C)(C)C)cc(Cl)c1O ZINC000146168925 344039574 /nfs/dbraw/zinc/03/95/74/344039574.db2.gz OFEFPFXMIUUNBP-UHFFFAOYSA-N 0 0 198.693 3.652 10 0 AHAERN Cc1csc2c1cc(C)cc2C ZINC000146241923 573590974 /nfs/dbraw/zinc/59/09/74/573590974.db2.gz HHVAZFSFFCRUMD-UHFFFAOYSA-N 0 0 176.284 3.827 10 0 AHAERN Cc1ccc(-c2cccs2)c(F)c1 ZINC000146263111 582478451 /nfs/dbraw/zinc/47/84/51/582478451.db2.gz GJMWCOWPMBIXPP-UHFFFAOYSA-N 0 0 192.258 3.863 10 0 AHAERN Cc1cccc(N)c1C1CCCCC1 ZINC000146348424 344040123 /nfs/dbraw/zinc/04/01/23/344040123.db2.gz ZPILLNBBEMUIHI-UHFFFAOYSA-N 0 0 189.302 3.625 10 0 AHAERN Cc1ccc(C2CCCCC2)c(N)c1 ZINC000146349922 344040400 /nfs/dbraw/zinc/04/04/00/344040400.db2.gz DYNRAFPGIQQGKL-UHFFFAOYSA-N 0 0 189.302 3.625 10 0 AHAERN c1cn2ccccc2c1-c1ccccc1 ZINC000146388072 344040810 /nfs/dbraw/zinc/04/08/10/344040810.db2.gz YKPZOZVYGSIRDW-UHFFFAOYSA-N 0 0 193.249 3.606 10 0 AHAERN C[C@]12CC3CC(N=O)(C1)C[C@@](C)(C3)C2 ZINC000147216030 344043477 /nfs/dbraw/zinc/04/34/77/344043477.db2.gz POHXMTWSWALMTL-WSVSKBAQSA-N 0 0 193.290 3.502 10 0 AHAERN Cc1cc(N)cc(-c2ccccc2)c1C ZINC000147402876 582516523 /nfs/dbraw/zinc/51/65/23/582516523.db2.gz JQGJCIUYWJSVCA-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN C[C@@H](c1ccc(O)cc1)C(C)(C)C ZINC000147756918 344044683 /nfs/dbraw/zinc/04/46/83/344044683.db2.gz DPVPXIBJRFAQMK-VIFPVBQESA-N 0 0 178.275 3.542 10 0 AHAERN C[C@H](c1ccc(O)cc1)C(C)(C)C ZINC000147757052 344044819 /nfs/dbraw/zinc/04/48/19/344044819.db2.gz DPVPXIBJRFAQMK-SECBINFHSA-N 0 0 178.275 3.542 10 0 AHAERN CCC/C=C\c1ccc(OC)cc1 ZINC000147843550 344045460 /nfs/dbraw/zinc/04/54/60/344045460.db2.gz GXUWCUSBTMBAPX-WAYWQWQTSA-N 0 0 176.259 3.509 10 0 AHAERN C=Cc1ccc(C(=O)CC(C)C)cc1 ZINC000148122436 344048575 /nfs/dbraw/zinc/04/85/75/344048575.db2.gz RJUHTSJFUDLJIV-UHFFFAOYSA-N 0 0 188.270 3.558 10 0 AHAERN CC/C=C/c1cc2ccccc2[nH]1 ZINC000148265552 344052243 /nfs/dbraw/zinc/05/22/43/344052243.db2.gz DWODMPGFOZHJEO-XVNBXDOJSA-N 0 0 171.243 3.591 10 0 AHAERN CC(C)c1c[nH]c2ccc(Cl)cc21 ZINC000148302767 325624562 /nfs/dbraw/zinc/62/45/62/325624562.db2.gz AOODTQMDCVJOCB-UHFFFAOYSA-N 0 0 193.677 3.945 10 0 AHAERN Cc1cccc2c(C(C)C)c[nH]c21 ZINC000148304369 325624404 /nfs/dbraw/zinc/62/44/04/325624404.db2.gz RQFFUXWNKYDHML-UHFFFAOYSA-N 0 0 173.259 3.600 10 0 AHAERN Cc1ccccc1CC(C)(C)C ZINC000148815029 344058864 /nfs/dbraw/zinc/05/88/64/344058864.db2.gz WRMXZKBOHIXDKO-UHFFFAOYSA-N 0 0 162.276 3.584 10 0 AHAERN CCc1c(C)cc2ccccc2c1C=O ZINC000148947124 344060430 /nfs/dbraw/zinc/06/04/30/344060430.db2.gz JYMORVWTSQQBRD-UHFFFAOYSA-N 0 0 198.265 3.523 10 0 AHAERN CCc1cc(F)c(Cl)cc1Cl ZINC000149118476 344062333 /nfs/dbraw/zinc/06/23/33/344062333.db2.gz MHHMTKBFXIQEBZ-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN CCCc1ccc(CCC)c(OC)c1 ZINC000149140112 344062429 /nfs/dbraw/zinc/06/24/29/344062429.db2.gz GMNBZAAWDFJJON-UHFFFAOYSA-N 0 0 192.302 3.600 10 0 AHAERN Clc1ccc(C2=CCC=C2)cc1 ZINC000149248114 571996201 /nfs/dbraw/zinc/99/62/01/571996201.db2.gz BMQPSENZHRBISD-UHFFFAOYSA-N 0 0 175.638 3.726 10 0 AHAERN C/C(=C\c1ccccc1)C(C)C ZINC000149271189 344063692 /nfs/dbraw/zinc/06/36/92/344063692.db2.gz SWZXRRSYEPARQZ-PKNBQFBNSA-N 0 0 160.260 3.746 10 0 AHAERN CSc1c(Cl)ccc(C)c1F ZINC000149414147 344065483 /nfs/dbraw/zinc/06/54/83/344065483.db2.gz MUBHPXMNUBOMTL-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CCc1cc(Cl)c(Cl)cc1C ZINC000149488342 344066499 /nfs/dbraw/zinc/06/64/99/344066499.db2.gz NBXKVKMXCWNCQO-UHFFFAOYSA-N 0 0 189.085 3.864 10 0 AHAERN Cc1ccc(C(F)F)c(Cl)c1 ZINC000149494027 344066779 /nfs/dbraw/zinc/06/67/79/344066779.db2.gz BLEPIZUKGDUWEM-UHFFFAOYSA-N 0 0 176.593 3.586 10 0 AHAERN C=Cc1ccc(C(=O)C(C)(C)C)cc1 ZINC000149593830 344068055 /nfs/dbraw/zinc/06/80/55/344068055.db2.gz UACLYRXZMACBRT-UHFFFAOYSA-N 0 0 188.270 3.558 10 0 AHAERN CSc1ccc(OC(C)(C)C)cc1 ZINC000149615534 344068631 /nfs/dbraw/zinc/06/86/31/344068631.db2.gz LKGJFALNJDXYAT-UHFFFAOYSA-N 0 0 196.315 3.586 10 0 AHAERN COc1cc2ccsc2c(Cl)c1 ZINC000149684744 168234431 /nfs/dbraw/zinc/23/44/31/168234431.db2.gz CFTYFTPZQGETAE-UHFFFAOYSA-N 0 0 198.674 3.563 10 0 AHAERN C/C=C(/CC)c1ccnc(Cl)c1 ZINC000149824572 344072281 /nfs/dbraw/zinc/07/22/81/344072281.db2.gz VRBFATPECLLFKL-BAQGIRSFSA-N 0 0 181.666 3.548 10 0 AHAERN CCC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC000160447333 344166197 /nfs/dbraw/zinc/16/61/97/344166197.db2.gz COMGGKGUMHVTJV-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](O)C1CC(C)(C)CC(C)(C)C1 ZINC000160448303 344166348 /nfs/dbraw/zinc/16/63/48/344166348.db2.gz MUOQLPYJDIQRDH-NSHDSACASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](O)C1CC(C)(C)CC(C)(C)C1 ZINC000160448442 344166477 /nfs/dbraw/zinc/16/64/77/344166477.db2.gz MUOQLPYJDIQRDH-LLVKDONJSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@H]1CCC/C(=C\[C@H](C)O)CC1 ZINC000160541145 344169049 /nfs/dbraw/zinc/16/90/49/344169049.db2.gz VJIRSDZCCAQHOV-BBLQWXAZSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@H]1CCC/C(=C\[C@H](C)O)CC1 ZINC000160541253 344169108 /nfs/dbraw/zinc/16/91/08/344169108.db2.gz VJIRSDZCCAQHOV-XLCKQVHISA-N 0 0 196.334 3.530 10 0 AHAERN Cc1coc2c1cc(Cl)cc2C ZINC000160622840 344171960 /nfs/dbraw/zinc/17/19/60/344171960.db2.gz LWGQJIZTSNMGFN-UHFFFAOYSA-N 0 0 180.634 3.703 10 0 AHAERN Cc1cc2occc2c(C)c1Cl ZINC000160628717 344172241 /nfs/dbraw/zinc/17/22/41/344172241.db2.gz FFENCGNBQAUPQF-UHFFFAOYSA-N 0 0 180.634 3.703 10 0 AHAERN O=C(C1CCC1)C1CCCCCCC1 ZINC000161302617 344189084 /nfs/dbraw/zinc/18/90/84/344189084.db2.gz VQFFGIOTZCEQRS-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CC(C)C1(O)CCC2(CCCC2)CC1 ZINC000161408315 344190718 /nfs/dbraw/zinc/19/07/18/344190718.db2.gz SDXSLWZQNMPNBL-UHFFFAOYSA-N 0 0 196.334 3.508 10 0 AHAERN CCCC1(O)CCC2(CCCC2)CC1 ZINC000161408605 344190855 /nfs/dbraw/zinc/19/08/55/344190855.db2.gz YVDMUKSDDUFRCP-UHFFFAOYSA-N 0 0 196.334 3.652 10 0 AHAERN Cc1ccc(C)n1C[C@@H](C)C(C)(C)C ZINC000163109764 344219319 /nfs/dbraw/zinc/21/93/19/344219319.db2.gz NHFXDKUJUZIGLK-SNVBAGLBSA-N 0 0 193.334 3.787 10 0 AHAERN Cc1ccc(C)n1C[C@H](C)C(C)(C)C ZINC000163109868 344219224 /nfs/dbraw/zinc/21/92/24/344219224.db2.gz NHFXDKUJUZIGLK-JTQLQIEISA-N 0 0 193.334 3.787 10 0 AHAERN CC(C)Cc1c(N)csc1C(C)C ZINC000163915403 344233214 /nfs/dbraw/zinc/23/32/14/344233214.db2.gz CEUXQKQADHJUSA-UHFFFAOYSA-N 0 0 197.347 3.652 10 0 AHAERN Cc1occc1Sc1ccoc1C ZINC000164023037 351763596 /nfs/dbraw/zinc/76/35/96/351763596.db2.gz YYCJJKQREMPVBE-UHFFFAOYSA-N 0 0 194.255 3.641 10 0 AHAERN CCC(=O)c1cc2sccc2s1 ZINC000164023128 344234795 /nfs/dbraw/zinc/23/47/95/344234795.db2.gz YBIDAMZCYGMRKZ-UHFFFAOYSA-N 0 0 196.296 3.556 10 0 AHAERN CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000164024305 344235400 /nfs/dbraw/zinc/23/54/00/344235400.db2.gz QLPYJSORBLGJLD-QJPTWQEYSA-N 0 0 194.318 3.572 10 0 AHAERN CCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000164024564 344235441 /nfs/dbraw/zinc/23/54/41/344235441.db2.gz QLPYJSORBLGJLD-IJLUTSLNSA-N 0 0 194.318 3.572 10 0 AHAERN CC1(C(=O)C2CCCCC2)CCCC1 ZINC000164027595 344235357 /nfs/dbraw/zinc/23/53/57/344235357.db2.gz VAKIPTYVKVTQHW-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CCC(=O)c1ccc(C2CCC2)cc1 ZINC000164133190 344237818 /nfs/dbraw/zinc/23/78/18/344237818.db2.gz MZIOPNBTCXMPRT-UHFFFAOYSA-N 0 0 188.270 3.547 10 0 AHAERN CCCC/C=C(\C)c1cccc(O)c1 ZINC000164448646 344245353 /nfs/dbraw/zinc/24/53/53/344245353.db2.gz XYCGKCGBORRYQQ-YRNVUSSQSA-N 0 0 190.286 3.986 10 0 AHAERN Cc1csc(C2CCCCCC2)n1 ZINC000164683488 409504733 /nfs/dbraw/zinc/50/47/33/409504733.db2.gz VCLNSCNSAFDFEX-UHFFFAOYSA-N 0 0 195.331 3.889 10 0 AHAERN C[C@@H]1C[C@@H]1c1nc(C(C)(C)C)cs1 ZINC000164702220 344250093 /nfs/dbraw/zinc/25/00/93/344250093.db2.gz MRDJYWQKVVDISY-SFYZADRCSA-N 0 0 195.331 3.564 10 0 AHAERN C[C@H]1C[C@@H]1c1nc(C(C)(C)C)cs1 ZINC000164702352 344250025 /nfs/dbraw/zinc/25/00/25/344250025.db2.gz MRDJYWQKVVDISY-YUMQZZPRSA-N 0 0 195.331 3.564 10 0 AHAERN C[C@@H]1C[C@H]1c1nc(C(C)(C)C)cs1 ZINC000164702468 344249891 /nfs/dbraw/zinc/24/98/91/344249891.db2.gz MRDJYWQKVVDISY-HTQZYQBOSA-N 0 0 195.331 3.564 10 0 AHAERN C[C@H]1C[C@H]1c1nc(C(C)(C)C)cs1 ZINC000164702584 344250171 /nfs/dbraw/zinc/25/01/71/344250171.db2.gz MRDJYWQKVVDISY-JGVFFNPUSA-N 0 0 195.331 3.564 10 0 AHAERN CC(C)c1csc(CC(C)(C)C)n1 ZINC000164707449 344250606 /nfs/dbraw/zinc/25/06/06/344250606.db2.gz REGCMQJMARGRSP-UHFFFAOYSA-N 0 0 197.347 3.855 10 0 AHAERN CC(C)(C)Cc1nc(C2CC2)cs1 ZINC000164713499 344250611 /nfs/dbraw/zinc/25/06/11/344250611.db2.gz UFQAZOAGOPECJY-UHFFFAOYSA-N 0 0 195.331 3.609 10 0 AHAERN CC[C@@H]1CC[C@H](c2ncc(C)s2)C1 ZINC000164747244 344251583 /nfs/dbraw/zinc/25/15/83/344251583.db2.gz WJYUYPLDPQQBNP-ZJUUUORDSA-N 0 0 195.331 3.745 10 0 AHAERN CC[C@H]1CC[C@H](c2ncc(C)s2)C1 ZINC000164747368 344251268 /nfs/dbraw/zinc/25/12/68/344251268.db2.gz WJYUYPLDPQQBNP-UWVGGRQHSA-N 0 0 195.331 3.745 10 0 AHAERN CC[C@@H]1CC[C@@H](c2ncc(C)s2)C1 ZINC000164747497 344251589 /nfs/dbraw/zinc/25/15/89/344251589.db2.gz WJYUYPLDPQQBNP-NXEZZACHSA-N 0 0 195.331 3.745 10 0 AHAERN CC[C@H]1CC[C@@H](c2ncc(C)s2)C1 ZINC000164747617 344251555 /nfs/dbraw/zinc/25/15/55/344251555.db2.gz WJYUYPLDPQQBNP-VHSXEESVSA-N 0 0 195.331 3.745 10 0 AHAERN CCc1cnc(C2CCCCC2)s1 ZINC000164764601 344251909 /nfs/dbraw/zinc/25/19/09/344251909.db2.gz DBHSSZVOOAQDEU-UHFFFAOYSA-N 0 0 195.331 3.753 10 0 AHAERN C=Cc1ccccc1SC(C)C ZINC000164773445 344252189 /nfs/dbraw/zinc/25/21/89/344252189.db2.gz SGSZXIXKYVZHJR-UHFFFAOYSA-N 0 0 178.300 3.830 10 0 AHAERN CC(C)c1cnc(C2CCCC2)s1 ZINC000164778649 344252362 /nfs/dbraw/zinc/25/23/62/344252362.db2.gz QJDBFWNNNSTECN-UHFFFAOYSA-N 0 0 195.331 3.924 10 0 AHAERN CC(C)c1cnc(C2CCC2)s1 ZINC000164783791 344252325 /nfs/dbraw/zinc/25/23/25/344252325.db2.gz MZPCEDMHBYNGNX-UHFFFAOYSA-N 0 0 181.304 3.534 10 0 AHAERN CC[C@@H](C)c1ncc(C(C)C)s1 ZINC000164786829 344252155 /nfs/dbraw/zinc/25/21/55/344252155.db2.gz AYOHSSIWEUYIOC-MRVPVSSYSA-N 0 0 183.320 3.780 10 0 AHAERN CC[C@H](C)c1ncc(C(C)C)s1 ZINC000164786902 344252272 /nfs/dbraw/zinc/25/22/72/344252272.db2.gz AYOHSSIWEUYIOC-QMMMGPOBSA-N 0 0 183.320 3.780 10 0 AHAERN CC[C@@H](C)c1csc(C2(C)CC2)n1 ZINC000164791041 344252679 /nfs/dbraw/zinc/25/26/79/344252679.db2.gz LTNSWMUXGQQUHR-MRVPVSSYSA-N 0 0 195.331 3.708 10 0 AHAERN CC[C@H](C)c1csc(C2(C)CC2)n1 ZINC000164791150 344252772 /nfs/dbraw/zinc/25/27/72/344252772.db2.gz LTNSWMUXGQQUHR-QMMMGPOBSA-N 0 0 195.331 3.708 10 0 AHAERN CC[C@@H]1CCC[C@]1(O)CC1CCCC1 ZINC000164816882 344252986 /nfs/dbraw/zinc/25/29/86/344252986.db2.gz SOBQOESZWRQBNZ-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1CCC[C@]1(O)CC1CCCC1 ZINC000164817018 344252983 /nfs/dbraw/zinc/25/29/83/344252983.db2.gz SOBQOESZWRQBNZ-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@@H]1CCC[C@@]1(O)CC1CCCC1 ZINC000164817154 344253144 /nfs/dbraw/zinc/25/31/44/344253144.db2.gz SOBQOESZWRQBNZ-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H]1CCC[C@@]1(O)CC1CCCC1 ZINC000164817264 344253197 /nfs/dbraw/zinc/25/31/97/344253197.db2.gz SOBQOESZWRQBNZ-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)(C)SCC1CCCC1 ZINC000165485249 344265042 /nfs/dbraw/zinc/26/50/42/344265042.db2.gz HRDMQSGRGYVJEQ-UHFFFAOYSA-N 0 0 172.337 3.708 10 0 AHAERN Clc1ccccc1SC1CC1 ZINC000165533378 344266095 /nfs/dbraw/zinc/26/60/95/344266095.db2.gz BTFQXQZSSOZCII-UHFFFAOYSA-N 0 0 184.691 3.595 10 0 AHAERN CC(C)c1ccc(-c2ccc[nH]2)cc1 ZINC000165683597 344267326 /nfs/dbraw/zinc/26/73/26/344267326.db2.gz YUMOXTHNCDKTTI-UHFFFAOYSA-N 0 0 185.270 3.805 10 0 AHAERN Clc1ccc(Cl)c(C2CC2)c1 ZINC000166204148 169023465 /nfs/dbraw/zinc/02/34/65/169023465.db2.gz IFTIIWFIDSYLTA-UHFFFAOYSA-N 0 0 187.069 3.871 10 0 AHAERN CC1CCC([C@]2(C)CCC(=O)C2)CC1 ZINC000166845417 344290717 /nfs/dbraw/zinc/29/07/17/344290717.db2.gz QHMHJBXNXUEQNN-GCZXYKMCSA-N 0 0 194.318 3.572 10 0 AHAERN CC1CCC([C@@]2(C)CCC(=O)C2)CC1 ZINC000166845526 344290932 /nfs/dbraw/zinc/29/09/32/344290932.db2.gz QHMHJBXNXUEQNN-XIVSLSHWSA-N 0 0 194.318 3.572 10 0 AHAERN CO/C=C\c1cccc2sccc21 ZINC000167144231 168075659 /nfs/dbraw/zinc/07/56/59/168075659.db2.gz DFNXFRXUEFUIGX-ALCCZGGFSA-N 0 0 190.267 3.518 10 0 AHAERN CCc1c(F)ccc(Cl)c1Cl ZINC000167169642 344299100 /nfs/dbraw/zinc/29/91/00/344299100.db2.gz QEKRUHFZXMUFRC-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN C[C@]1(CC2CCCCC2)CC[C@H](O)C1 ZINC000167185552 344299578 /nfs/dbraw/zinc/29/95/78/344299578.db2.gz FHZKQQAVIAPAPX-QWHCGFSZSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@]1(CC2CCCCC2)CC[C@H](O)C1 ZINC000167185662 344299704 /nfs/dbraw/zinc/29/97/04/344299704.db2.gz FHZKQQAVIAPAPX-STQMWFEESA-N 0 0 196.334 3.508 10 0 AHAERN C[C@]1(CC2CCCCC2)CC[C@@H](O)C1 ZINC000167185770 344299726 /nfs/dbraw/zinc/29/97/26/344299726.db2.gz FHZKQQAVIAPAPX-CHWSQXEVSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@]1(CC2CCCCC2)CC[C@@H](O)C1 ZINC000167185889 344299927 /nfs/dbraw/zinc/29/99/27/344299927.db2.gz FHZKQQAVIAPAPX-OLZOCXBDSA-N 0 0 196.334 3.508 10 0 AHAERN CCCC[C@H]1CC=C(OC)CC1 ZINC000167460296 572749547 /nfs/dbraw/zinc/74/95/47/572749547.db2.gz DNIJNXXKJCOGKS-JTQLQIEISA-N 0 0 168.280 3.507 10 0 AHAERN CCCC(=O)c1cccc(C)c1Cl ZINC000167744219 344313503 /nfs/dbraw/zinc/31/35/03/344313503.db2.gz AGKLYURJSFWDFJ-UHFFFAOYSA-N 0 0 196.677 3.631 10 0 AHAERN CCC[C@@H](C)C(=O)c1cccc(C)c1 ZINC000167774333 344314654 /nfs/dbraw/zinc/31/46/54/344314654.db2.gz CNCWOBZBQVMVRC-LLVKDONJSA-N 0 0 190.286 3.614 10 0 AHAERN CCC[C@H](C)C(=O)c1cccc(C)c1 ZINC000167774436 344314463 /nfs/dbraw/zinc/31/44/63/344314463.db2.gz CNCWOBZBQVMVRC-NSHDSACASA-N 0 0 190.286 3.614 10 0 AHAERN CCCCc1ccc(C(C)C)nc1 ZINC000167827795 571964022 /nfs/dbraw/zinc/96/40/22/571964022.db2.gz XDBMBFQVHHFUTH-UHFFFAOYSA-N 0 0 177.291 3.548 10 0 AHAERN C/C=C/CC/C=C\CC[C@@H](O)C(C)C ZINC000167893193 572842826 /nfs/dbraw/zinc/84/28/26/572842826.db2.gz XZGBWIVVGIAARV-STQMZUSMSA-N 0 0 196.334 3.696 10 0 AHAERN C[C@@H](C(=O)CC1CCCCC1)C1CC1 ZINC000168007849 572204847 /nfs/dbraw/zinc/20/48/47/572204847.db2.gz VSTQMZBKRYJZCE-SNVBAGLBSA-N 0 0 194.318 3.572 10 0 AHAERN CCC(C)(C)C(=O)CC1CCCCC1 ZINC000168008481 572203615 /nfs/dbraw/zinc/20/36/15/572203615.db2.gz OJPFUVNABSMREN-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCCCC(=O)c1cccc(CC)c1 ZINC000168010304 344318957 /nfs/dbraw/zinc/31/89/57/344318957.db2.gz WVMVFKVIVXKSAV-UHFFFAOYSA-N 0 0 190.286 3.622 10 0 AHAERN CC(C)[C@@H](C)C(=O)CCC(C)(C)C ZINC000168124491 572246772 /nfs/dbraw/zinc/24/67/72/572246772.db2.gz RBNNYRDUGJEQIP-SNVBAGLBSA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)[C@H](C)C(=O)CCC(C)(C)C ZINC000168124596 572248206 /nfs/dbraw/zinc/24/82/06/572248206.db2.gz RBNNYRDUGJEQIP-JTQLQIEISA-N 0 0 184.323 3.674 10 0 AHAERN CCC(CC)C(=O)CCC(C)(C)C ZINC000168124951 572246446 /nfs/dbraw/zinc/24/64/46/572246446.db2.gz HKNLFJQVQCOXME-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN Cc1cc(C(=O)CCC(C)(C)C)co1 ZINC000168127279 572247039 /nfs/dbraw/zinc/24/70/39/572247039.db2.gz CTMOOXFLZPVMDD-UHFFFAOYSA-N 0 0 194.274 3.597 10 0 AHAERN Cc1cc(C(=O)C(C)(C)C)sc1C ZINC000168164050 344322817 /nfs/dbraw/zinc/32/28/17/344322817.db2.gz GXBXJRXXLWRTIP-UHFFFAOYSA-N 0 0 196.315 3.594 10 0 AHAERN CC1(C(=O)c2ccsc2)CCCC1 ZINC000168428457 344330845 /nfs/dbraw/zinc/33/08/45/344330845.db2.gz IOVWATQOTDSWRU-UHFFFAOYSA-N 0 0 194.299 3.511 10 0 AHAERN CCC(C)(C)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000168501632 344331986 /nfs/dbraw/zinc/33/19/86/344331986.db2.gz RRGLOMRXTDQZTD-WDEREUQCSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(C)(C)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000168501715 344331853 /nfs/dbraw/zinc/33/18/53/344331853.db2.gz RRGLOMRXTDQZTD-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(C)(C)C(=O)[C@@H]1CCC[C@@H](C)C1 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RLSWZDXHSSKOKH-UHFFFAOYSA-N 0 0 150.265 3.843 10 0 AHAERN CC(C)(C)c1n[nH]c(C(C)(C)C)p1 ZINC000169463476 344350976 /nfs/dbraw/zinc/35/09/76/344350976.db2.gz UWTJQFPSDJGVPA-UHFFFAOYSA-N 0 0 198.250 3.585 10 0 AHAERN C[Si](C)(C)[C@@H]1C=Cc2ccccc21 ZINC000195755310 171170278 /nfs/dbraw/zinc/17/02/78/171170278.db2.gz DAVVYCRMXOFZQG-GFCCVEGCSA-N 0 0 188.346 3.674 10 0 AHAERN C[Si](C)(C)[C@H]1C=Cc2ccccc21 ZINC000195755312 171169925 /nfs/dbraw/zinc/16/99/25/171169925.db2.gz DAVVYCRMXOFZQG-LBPRGKRZSA-N 0 0 188.346 3.674 10 0 AHAERN CCC/C=C\C[Si](C)(C)C ZINC000195805750 351773982 /nfs/dbraw/zinc/77/39/82/351773982.db2.gz HAYOJYXXROOYGF-FPLPWBNLSA-N 0 0 156.345 3.681 10 0 AHAERN CCC/C=C/C[Si](C)(C)C ZINC000195805751 351773966 /nfs/dbraw/zinc/77/39/66/351773966.db2.gz HAYOJYXXROOYGF-BQYQJAHWSA-N 0 0 156.345 3.681 10 0 AHAERN CS[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000195979849 572973106 /nfs/dbraw/zinc/97/31/06/572973106.db2.gz MGALEMIAZQXZEO-GMTAPVOTSA-N 0 0 186.364 3.810 10 0 AHAERN CS[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000195979867 572973729 /nfs/dbraw/zinc/97/37/29/572973729.db2.gz MGALEMIAZQXZEO-GARJFASQSA-N 0 0 186.364 3.810 10 0 AHAERN CCC(=O)[C@@H](C)CC1CCCCC1 ZINC000196032143 572975966 /nfs/dbraw/zinc/97/59/66/572975966.db2.gz AZDHAGALANCCSM-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCNc1ccccc1[C@H]1C=CCC1 ZINC000196066405 571738797 /nfs/dbraw/zinc/73/87/97/571738797.db2.gz CQCZJEHHQOENPH-NSHDSACASA-N 0 0 187.286 3.552 10 0 AHAERN CCNc1ccccc1[C@@H]1C=CCC1 ZINC000196066415 571738830 /nfs/dbraw/zinc/73/88/30/571738830.db2.gz CQCZJEHHQOENPH-LLVKDONJSA-N 0 0 187.286 3.552 10 0 AHAERN Cc1ccnc(/C=C/c2ccccc2)c1 ZINC000196090975 171171137 /nfs/dbraw/zinc/17/11/37/171171137.db2.gz MCHBTDLGXSMQAB-BQYQJAHWSA-N 0 0 195.265 3.560 10 0 AHAERN CC(C)c1ccc(-c2ccccc2)[nH]1 ZINC000196105287 166628761 /nfs/dbraw/zinc/62/87/61/166628761.db2.gz VWHNHZCURHSPOX-UHFFFAOYSA-N 0 0 185.270 3.805 10 0 AHAERN CCCc1ccc(-c2ccccc2)[nH]1 ZINC000196105300 571857538 /nfs/dbraw/zinc/85/75/38/571857538.db2.gz QYWFISYPNHCNFL-UHFFFAOYSA-N 0 0 185.270 3.634 10 0 AHAERN CC(C)(C)[Si](C)(C)C(F)(F)F ZINC000196108134 166381659 /nfs/dbraw/zinc/38/16/59/166381659.db2.gz RFKPWLRQTKDYIG-UHFFFAOYSA-N 0 0 184.277 3.596 10 0 AHAERN ClC(Cl)=Cc1ccsc1 ZINC000196121335 571870186 /nfs/dbraw/zinc/87/01/86/571870186.db2.gz BDQRKQBAGQGTLB-UHFFFAOYSA-N 0 0 179.071 3.524 10 0 AHAERN CC1(C)C[C@@H]1Sc1ccccc1 ZINC000196135004 571870725 /nfs/dbraw/zinc/87/07/25/571870725.db2.gz GFCBLIAYAMLULT-JTQLQIEISA-N 0 0 178.300 3.577 10 0 AHAERN CC1(C)C[C@H]1Sc1ccccc1 ZINC000196135011 571870912 /nfs/dbraw/zinc/87/09/12/571870912.db2.gz GFCBLIAYAMLULT-SNVBAGLBSA-N 0 0 178.300 3.577 10 0 AHAERN Cc1sc2c(ccc(O)c2C)c1C ZINC000196148816 571923601 /nfs/dbraw/zinc/92/36/01/571923601.db2.gz UISRZCPLSULXOR-UHFFFAOYSA-N 0 0 192.283 3.532 10 0 AHAERN Cc1sc2cc(O)c(C)cc2c1C ZINC000196148846 571922775 /nfs/dbraw/zinc/92/27/75/571922775.db2.gz PPSFLPZFCRAETL-UHFFFAOYSA-N 0 0 192.283 3.532 10 0 AHAERN Cc1[nH]c(C)c2c1C(C)(C)CC2(C)C ZINC000196148855 168699473 /nfs/dbraw/zinc/69/94/73/168699473.db2.gz ZCIUTCPGYAVHNH-UHFFFAOYSA-N 0 0 191.318 3.590 10 0 AHAERN CC(C)(C)CCCc1ccccc1O ZINC000196170805 351774965 /nfs/dbraw/zinc/77/49/65/351774965.db2.gz XRFDSVAZSFJNRS-UHFFFAOYSA-N 0 0 192.302 3.761 10 0 AHAERN c1cc2c(-c3ccccc3)csc2[nH]1 ZINC000196174218 571988734 /nfs/dbraw/zinc/98/87/34/571988734.db2.gz GVUNJHGGJPRZTK-UHFFFAOYSA-N 0 0 199.278 3.896 10 0 AHAERN Cc1[nH]c2ccccc2c2cccc1-2 ZINC000196194154 572121600 /nfs/dbraw/zinc/12/16/00/572121600.db2.gz IXPAYAHETPARMW-UHFFFAOYSA-N 0 0 181.238 3.581 10 0 AHAERN CCc1ccc(-c2[nH]ccc2C)cc1 ZINC000196194914 572120766 /nfs/dbraw/zinc/12/07/66/572120766.db2.gz IHOMXZGXNJJWHO-UHFFFAOYSA-N 0 0 185.270 3.553 10 0 AHAERN CC[Si](CC)(CC)/C(F)=C/F ZINC000196199868 344356019 /nfs/dbraw/zinc/35/60/19/344356019.db2.gz WHAKDXRILVXUBR-BQYQJAHWSA-N 0 0 178.298 3.815 10 0 AHAERN CCc1ccc(C(C)=O)cc1C(C)C ZINC000196211786 371693308 /nfs/dbraw/zinc/69/33/08/371693308.db2.gz JNBWOMUFTHJBIZ-UHFFFAOYSA-N 0 0 190.286 3.575 10 0 AHAERN C[Si](C)(C)CC1CCCCC1 ZINC000196212786 371693323 /nfs/dbraw/zinc/69/33/23/371693323.db2.gz YAXMXUKHFJRQQZ-UHFFFAOYSA-N 0 0 170.372 3.905 10 0 AHAERN CCCCOCc1ccccc1Cl ZINC000196236612 572984714 /nfs/dbraw/zinc/98/47/14/572984714.db2.gz PJPHJEZIGNADDH-UHFFFAOYSA-N 0 0 198.693 3.657 10 0 AHAERN COc1ccc(CCC=C(C)C)cc1 ZINC000196255517 572984283 /nfs/dbraw/zinc/98/42/83/572984283.db2.gz JJHPRRJEBCHIOE-UHFFFAOYSA-N 0 0 190.286 3.594 10 0 AHAERN Oc1ccccc1C=C1CCCCC1 ZINC000196258335 344356432 /nfs/dbraw/zinc/35/64/32/344356432.db2.gz QPCFQJPRMNKIGN-UHFFFAOYSA-N 0 0 188.270 3.740 10 0 AHAERN Cc1ccc2sc(=S)ccc2c1 ZINC000196262121 168858319 /nfs/dbraw/zinc/85/83/19/168858319.db2.gz IMKPTPMZXGWOFM-UHFFFAOYSA-N 0 0 192.308 3.939 10 0 AHAERN Cc1csc2ccccc2c1=S ZINC000196262273 344356683 /nfs/dbraw/zinc/35/66/83/344356683.db2.gz LXQFCDGBCSGIFF-UHFFFAOYSA-N 0 0 192.308 3.939 10 0 AHAERN CCCCC1=CCCC[C@@H]1C ZINC000196266714 572984735 /nfs/dbraw/zinc/98/47/35/572984735.db2.gz AKSCERABZCSZAN-JTQLQIEISA-N 0 0 152.281 3.923 10 0 AHAERN CCCCC1=CCCC[C@H]1C ZINC000196266721 572984520 /nfs/dbraw/zinc/98/45/20/572984520.db2.gz AKSCERABZCSZAN-SNVBAGLBSA-N 0 0 152.281 3.923 10 0 AHAERN C=C(C)C[C@H]1CC(=O)CC[C@H]1C(C)C ZINC000196304137 697680171 /nfs/dbraw/zinc/68/01/71/697680171.db2.gz VEZUCDWVMIQLFT-AAEUAGOBSA-N 0 0 194.318 3.594 10 0 AHAERN C=C(C)C[C@@H]1CC(=O)CC[C@H]1C(C)C ZINC000196304148 697680105 /nfs/dbraw/zinc/68/01/05/697680105.db2.gz VEZUCDWVMIQLFT-YPMHNXCESA-N 0 0 194.318 3.594 10 0 AHAERN C=C(C)C[C@@H]1CC(=O)CC[C@@H]1C(C)C ZINC000196304154 697679967 /nfs/dbraw/zinc/67/99/67/697679967.db2.gz VEZUCDWVMIQLFT-DGCLKSJQSA-N 0 0 194.318 3.594 10 0 AHAERN CCc1cc(C(C)(C)C)ccc1C ZINC000196306359 572986415 /nfs/dbraw/zinc/98/64/15/572986415.db2.gz PJCYMGVMGBYHSN-UHFFFAOYSA-N 0 0 176.303 3.855 10 0 AHAERN Fc1cccc(C2=CCCCC2)c1 ZINC000196367258 630041024 /nfs/dbraw/zinc/04/10/24/630041024.db2.gz 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ZINC000196399844 571898870 /nfs/dbraw/zinc/89/88/70/571898870.db2.gz WUVZODZFFCVEAB-UHFFFAOYSA-N 0 0 188.295 3.870 10 0 AHAERN Cc1cc(Cl)c(C(C)C)c(C)c1O ZINC000196403910 571945888 /nfs/dbraw/zinc/94/58/88/571945888.db2.gz IUPHZVBXMBQOEO-UHFFFAOYSA-N 0 0 198.693 3.786 10 0 AHAERN CCC[C@@H]1C[C@H](C)c2ccccc2N1 ZINC000196409851 571946424 /nfs/dbraw/zinc/94/64/24/571946424.db2.gz MTLDNGPBUAWQRY-WDEREUQCSA-N 0 0 189.302 3.774 10 0 AHAERN CCC[C@H]1C[C@H](C)c2ccccc2N1 ZINC000196409861 571944451 /nfs/dbraw/zinc/94/44/51/571944451.db2.gz MTLDNGPBUAWQRY-QWRGUYRKSA-N 0 0 189.302 3.774 10 0 AHAERN CCC[C@@H]1C[C@@H](C)c2ccccc2N1 ZINC000196409873 571946510 /nfs/dbraw/zinc/94/65/10/571946510.db2.gz MTLDNGPBUAWQRY-GHMZBOCLSA-N 0 0 189.302 3.774 10 0 AHAERN CCC[C@H]1C[C@@H](C)c2ccccc2N1 ZINC000196409882 571945804 /nfs/dbraw/zinc/94/58/04/571945804.db2.gz MTLDNGPBUAWQRY-MNOVXSKESA-N 0 0 189.302 3.774 10 0 AHAERN CC1=CCCCC12CCCC2 ZINC000196428742 344357388 /nfs/dbraw/zinc/35/73/88/344357388.db2.gz VZCRPMORYHGHEU-UHFFFAOYSA-N 0 0 150.265 3.677 10 0 AHAERN O=Cc1ccc(C2=CCCCC2)s1 ZINC000196451291 572062885 /nfs/dbraw/zinc/06/28/85/572062885.db2.gz RTEPENTZFWNFDP-UHFFFAOYSA-N 0 0 192.283 3.518 10 0 AHAERN c1cc2ccc3sccc3c2o1 ZINC000196462060 572334251 /nfs/dbraw/zinc/33/42/51/572334251.db2.gz QNVOMTOVBWZRLY-UHFFFAOYSA-N 0 0 174.224 3.648 10 0 AHAERN Fc1ccc(/C(Cl)=C/Cl)cc1 ZINC000196471566 572213640 /nfs/dbraw/zinc/21/36/40/572213640.db2.gz BQJSLENORGOPQI-YVMONPNESA-N 0 0 191.032 3.602 10 0 AHAERN CCC(=C(F)F)c1ccccc1 ZINC000196475108 572215615 /nfs/dbraw/zinc/21/56/15/572215615.db2.gz MQHOSRCBTSIQJG-UHFFFAOYSA-N 0 0 168.186 3.704 10 0 AHAERN CC[Si](C)(C)[Si](C)(C)CC ZINC000196520056 490061727 /nfs/dbraw/zinc/06/17/27/490061727.db2.gz VPHDNCJLFNXQQN-UHFFFAOYSA-N 0 0 174.436 3.521 10 0 AHAERN CC(C)(C)SCCc1ccccc1 ZINC000196549529 572336888 /nfs/dbraw/zinc/33/68/88/572336888.db2.gz LQWCAPMWHBZLBX-UHFFFAOYSA-N 0 0 194.343 3.761 10 0 AHAERN CC1=C(c2ccccc2N)CCCC1 ZINC000196582268 572978356 /nfs/dbraw/zinc/97/83/56/572978356.db2.gz XTDGTQTYUIODKW-UHFFFAOYSA-N 0 0 187.286 3.616 10 0 AHAERN C/C=C\c1ccc(C(F)(F)F)cc1 ZINC000196619092 351777004 /nfs/dbraw/zinc/77/70/04/351777004.db2.gz RKSHYZZUJFUXEY-IHWYPQMZSA-N 0 0 186.176 3.739 10 0 AHAERN Cc1ccc(O)c(C(C)(C)C(C)C)c1 ZINC000196628049 572426271 /nfs/dbraw/zinc/42/62/71/572426271.db2.gz USXJRFKXJFUFNY-UHFFFAOYSA-N 0 0 192.302 3.634 10 0 AHAERN Cc1cc2cc(Cl)ccc2c(C)n1 ZINC000196630002 351777035 /nfs/dbraw/zinc/77/70/35/351777035.db2.gz UXIDNCBGQVOCNH-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CNc1ccccc1[C@H]1C=CCCC1 ZINC000196632465 572423637 /nfs/dbraw/zinc/42/36/37/572423637.db2.gz HBLJVIXAMGJBMT-NSHDSACASA-N 0 0 187.286 3.552 10 0 AHAERN CNc1ccccc1[C@@H]1C=CCCC1 ZINC000196632477 572424671 /nfs/dbraw/zinc/42/46/71/572424671.db2.gz HBLJVIXAMGJBMT-LLVKDONJSA-N 0 0 187.286 3.552 10 0 AHAERN FCCCCCCOc1ccccc1 ZINC000196634330 351777122 /nfs/dbraw/zinc/77/71/22/351777122.db2.gz FHCQQALQJSIRDX-UHFFFAOYSA-N 0 0 196.265 3.595 10 0 AHAERN CCc1ccc(SC(C)C)cc1 ZINC000196665590 572336591 /nfs/dbraw/zinc/33/65/91/572336591.db2.gz DHMLBXDPLBWKPT-UHFFFAOYSA-N 0 0 180.316 3.750 10 0 AHAERN Cl/C=C/CC1CCCCC1 ZINC000196696510 572809409 /nfs/dbraw/zinc/80/94/09/572809409.db2.gz XPVHUJLJIWPJSO-XBXARRHUSA-N 0 0 158.672 3.709 10 0 AHAERN Cc1ccc(O)c(C2(C)CCCC2)c1 ZINC000196703848 572922612 /nfs/dbraw/zinc/92/26/12/572922612.db2.gz LTCJOLQTGCZGFB-UHFFFAOYSA-N 0 0 190.286 3.532 10 0 AHAERN C=C=CCCCCCC=C=C ZINC000196801976 344358709 /nfs/dbraw/zinc/35/87/09/344358709.db2.gz OOAKRAUYJAUWGL-UHFFFAOYSA-N 0 0 148.249 3.619 10 0 AHAERN Cc1c2ccccc2[nH]c1C(C)(C)C ZINC000196825180 572538384 /nfs/dbraw/zinc/53/83/84/572538384.db2.gz HEBXIBZQLTVDFW-UHFFFAOYSA-N 0 0 187.286 3.774 10 0 AHAERN CC1=C[C@@H](C)c2ccccc2N[C@H]1C ZINC000196892882 572754829 /nfs/dbraw/zinc/75/48/29/572754829.db2.gz GZUUENFLSBBSNK-MNOVXSKESA-N 0 0 187.286 3.550 10 0 AHAERN CC1=C[C@H](C)c2ccccc2N[C@H]1C ZINC000196892892 572755264 /nfs/dbraw/zinc/75/52/64/572755264.db2.gz GZUUENFLSBBSNK-QWRGUYRKSA-N 0 0 187.286 3.550 10 0 AHAERN CC1=C[C@@H](C)c2ccccc2N[C@@H]1C ZINC000196892900 572754854 /nfs/dbraw/zinc/75/48/54/572754854.db2.gz GZUUENFLSBBSNK-GHMZBOCLSA-N 0 0 187.286 3.550 10 0 AHAERN CC1=C[C@H](C)c2ccccc2N[C@@H]1C ZINC000196892911 572755068 /nfs/dbraw/zinc/75/50/68/572755068.db2.gz GZUUENFLSBBSNK-WDEREUQCSA-N 0 0 187.286 3.550 10 0 AHAERN C=C=C(C)[Si](C)(C)C(C)(C)C ZINC000197004297 351777449 /nfs/dbraw/zinc/77/74/49/351777449.db2.gz ZDJOEJQCVQKQAK-UHFFFAOYSA-N 0 0 168.356 3.765 10 0 AHAERN CCCc1c[nH]cc1-c1ccccc1 ZINC000197041675 573554158 /nfs/dbraw/zinc/55/41/58/573554158.db2.gz AEEMMKSNIFUNHD-UHFFFAOYSA-N 0 0 185.270 3.634 10 0 AHAERN C[Si](C)(C)[C@H]1C=CCCCC1 ZINC000197056417 351777817 /nfs/dbraw/zinc/77/78/17/351777817.db2.gz DYOZJPIISKKXBK-JTQLQIEISA-N 0 0 168.356 3.825 10 0 AHAERN C[Si](C)(C)[C@@H]1C=CCCCC1 ZINC000197056430 351777457 /nfs/dbraw/zinc/77/74/57/351777457.db2.gz DYOZJPIISKKXBK-SNVBAGLBSA-N 0 0 168.356 3.825 10 0 AHAERN Fc1cccc(-c2cccs2)c1F ZINC000197339253 573388773 /nfs/dbraw/zinc/38/87/73/573388773.db2.gz MIILUZMFXNXMEF-UHFFFAOYSA-N 0 0 196.221 3.693 10 0 AHAERN CCc1cc(O)c(C(C)(C)C)cc1C ZINC000197450280 573679436 /nfs/dbraw/zinc/67/94/36/573679436.db2.gz ZIQTYWSXEVADPI-UHFFFAOYSA-N 0 0 192.302 3.561 10 0 AHAERN CC(C)=C(C)c1cc2ccccc2[nH]1 ZINC000197478938 573695961 /nfs/dbraw/zinc/69/59/61/573695961.db2.gz OXWSGVCSRKKJQU-UHFFFAOYSA-N 0 0 185.270 3.981 10 0 AHAERN CC(C)[C@@H]1C=C[C@H](C(C)C)CC1 ZINC000197876053 572584795 /nfs/dbraw/zinc/58/47/95/572584795.db2.gz RYLAOCCARWFKMR-TXEJJXNPSA-N 0 0 166.308 3.881 10 0 AHAERN CCCC/C=C(/CCCC)OC(C)=O ZINC000199067162 487014831 /nfs/dbraw/zinc/01/48/31/487014831.db2.gz RYECAFTZQAEOLN-BENRWUELSA-N 0 0 198.306 3.814 10 0 AHAERN C/C=C\[C@H](O)C[C@@H](C)CCCC(C)C ZINC000199524695 572947801 /nfs/dbraw/zinc/94/78/01/572947801.db2.gz ZXIHUFSIWWYTEZ-REPZICSESA-N 0 0 198.350 3.776 10 0 AHAERN CC(C)[C@H]1CC[C@@H](C)CC1(F)F ZINC000199574948 344361292 /nfs/dbraw/zinc/36/12/92/344361292.db2.gz IRSDAFSQQHCIQZ-RKDXNWHRSA-N 0 0 176.250 3.714 10 0 AHAERN CC(C)[C@H]1CC[C@H](C)CC1(F)F ZINC000199574970 344361348 /nfs/dbraw/zinc/36/13/48/344361348.db2.gz IRSDAFSQQHCIQZ-DTWKUNHWSA-N 0 0 176.250 3.714 10 0 AHAERN CC(C)[C@@H]1CC[C@@H](C)CC1(F)F ZINC000199574989 344361212 /nfs/dbraw/zinc/36/12/12/344361212.db2.gz IRSDAFSQQHCIQZ-BDAKNGLRSA-N 0 0 176.250 3.714 10 0 AHAERN CC(C)[C@@H]1CC[C@H](C)CC1(F)F ZINC000199575010 344361263 /nfs/dbraw/zinc/36/12/63/344361263.db2.gz IRSDAFSQQHCIQZ-IUCAKERBSA-N 0 0 176.250 3.714 10 0 AHAERN CCc1cc(OC)ccc1C(C)(C)C ZINC000199969754 572977429 /nfs/dbraw/zinc/97/74/29/572977429.db2.gz UHUSFRLPTVVLSG-UHFFFAOYSA-N 0 0 192.302 3.555 10 0 AHAERN CC/C=C/Cc1ccccc1Cl ZINC000200396113 371701060 /nfs/dbraw/zinc/70/10/60/371701060.db2.gz YJNCAJSHLOWWDI-ONEGZZNKSA-N 0 0 180.678 3.849 10 0 AHAERN Cc1ccc2occ(C(C)C)c2c1 ZINC000200686039 168858006 /nfs/dbraw/zinc/85/80/06/168858006.db2.gz GVBLFVXPJJTZEO-UHFFFAOYSA-N 0 0 174.243 3.865 10 0 AHAERN OC(CC1CCCC1)CC1CCCC1 ZINC000201339548 573509376 /nfs/dbraw/zinc/50/93/76/573509376.db2.gz FAIXMUWMUWFRCH-UHFFFAOYSA-N 0 0 196.334 3.508 10 0 AHAERN Fc1c(Cl)ccc2ccccc12 ZINC000201531990 171172861 /nfs/dbraw/zinc/17/28/61/171172861.db2.gz GDILNOCXGTYXTN-UHFFFAOYSA-N 0 0 180.609 3.632 10 0 AHAERN CC(C)(C)[C@@H]1CCCCC1(F)F ZINC000201936269 344366327 /nfs/dbraw/zinc/36/63/27/344366327.db2.gz WXDNQBHKEDTAPX-QMMMGPOBSA-N 0 0 176.250 3.858 10 0 AHAERN CC(C)(C)[C@H]1CCCCC1(F)F ZINC000201936293 344366213 /nfs/dbraw/zinc/36/62/13/344366213.db2.gz WXDNQBHKEDTAPX-MRVPVSSYSA-N 0 0 176.250 3.858 10 0 AHAERN Fc1cccc2ccc(Cl)cc12 ZINC000202270868 169087527 /nfs/dbraw/zinc/08/75/27/169087527.db2.gz JEGHULKXXQLKRK-UHFFFAOYSA-N 0 0 180.609 3.632 10 0 AHAERN CCCc1c[nH]c2c1cccc2Cl ZINC000202843719 344367695 /nfs/dbraw/zinc/36/76/95/344367695.db2.gz LGCKDZHFWUTNOI-UHFFFAOYSA-N 0 0 193.677 3.774 10 0 AHAERN CCC(C)(C)[C@@H]1CCCC(=O)CC1 ZINC000202915103 538185404 /nfs/dbraw/zinc/18/54/04/538185404.db2.gz OPNOMMGKAWCZTO-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(C)(C)[C@H]1CCCC(=O)CC1 ZINC000202915118 538185499 /nfs/dbraw/zinc/18/54/99/538185499.db2.gz OPNOMMGKAWCZTO-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCc1cc(-c2ccccc2)cs1 ZINC000204381754 344369724 /nfs/dbraw/zinc/36/97/24/344369724.db2.gz BALQQGFWWWBGGV-UHFFFAOYSA-N 0 0 188.295 3.978 10 0 AHAERN CSc1c(C)[nH]c2cc(C)ccc21 ZINC000204425144 168309151 /nfs/dbraw/zinc/30/91/51/168309151.db2.gz VGDQDUADQOXCNW-UHFFFAOYSA-N 0 0 191.299 3.507 10 0 AHAERN C/C=C\CC/C(C)=C\CCC(C)=O ZINC000204830515 572538793 /nfs/dbraw/zinc/53/87/93/572538793.db2.gz QCBGTLADBYEODH-JXWPTCDWSA-N 0 0 180.291 3.658 10 0 AHAERN C/C=C/CC/C(C)=C\CCC(C)=O ZINC000204830532 572539461 /nfs/dbraw/zinc/53/94/61/572539461.db2.gz QCBGTLADBYEODH-KYCHFLPXSA-N 0 0 180.291 3.658 10 0 AHAERN C/C=C\CC/C(C)=C/CCC(C)=O ZINC000204830550 572539957 /nfs/dbraw/zinc/53/99/57/572539957.db2.gz QCBGTLADBYEODH-JHGYFVHDSA-N 0 0 180.291 3.658 10 0 AHAERN C/C=C/CC/C(C)=C/CCC(C)=O ZINC000204830564 572538074 /nfs/dbraw/zinc/53/80/74/572538074.db2.gz QCBGTLADBYEODH-RQYWULHYSA-N 0 0 180.291 3.658 10 0 AHAERN CC/C=C/C/C=C/C/C=C\CCCO ZINC000204893919 572721358 /nfs/dbraw/zinc/72/13/58/572721358.db2.gz OOZUGWJCHLCFLU-KYNNUBNZSA-N 0 0 194.318 3.618 10 0 AHAERN CCCCC/C=C\C=C/Cl ZINC000204897473 572721672 /nfs/dbraw/zinc/72/16/72/572721672.db2.gz XPODHYXMGYVFRC-JPDBVBESSA-N 0 0 158.672 3.875 10 0 AHAERN Cc1ccc2c(c1)occ2C(C)C ZINC000204917704 168847258 /nfs/dbraw/zinc/84/72/58/168847258.db2.gz JHOISHSICABOKT-UHFFFAOYSA-N 0 0 174.243 3.865 10 0 AHAERN Cc1cc(Cl)c(C)c2scnc21 ZINC000204919329 344370097 /nfs/dbraw/zinc/37/00/97/344370097.db2.gz FHVNXZFOBUDCNX-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN C[C@@H]1CC(C)(C)SC(C)(C)S1 ZINC000205022858 171226761 /nfs/dbraw/zinc/22/67/61/171226761.db2.gz VZBDRNHVDPFICL-SSDOTTSWSA-N 0 0 190.377 3.760 10 0 AHAERN C[C@H]1CC(C)(C)SC(C)(C)S1 ZINC000205022877 171226749 /nfs/dbraw/zinc/22/67/49/171226749.db2.gz VZBDRNHVDPFICL-ZETCQYMHSA-N 0 0 190.377 3.760 10 0 AHAERN CC[C@@H](C)[C@@H]1C=Cc2ccccc2N1 ZINC000205052318 167487482 /nfs/dbraw/zinc/48/74/82/167487482.db2.gz DDAMJBIOLBOQEW-PWSUYJOCSA-N 0 0 187.286 3.540 10 0 AHAERN CC[C@H](C)[C@@H]1C=Cc2ccccc2N1 ZINC000205052338 167629211 /nfs/dbraw/zinc/62/92/11/167629211.db2.gz DDAMJBIOLBOQEW-JQWIXIFHSA-N 0 0 187.286 3.540 10 0 AHAERN CC[C@@H](C)[C@H]1C=Cc2ccccc2N1 ZINC000205052350 167493502 /nfs/dbraw/zinc/49/35/02/167493502.db2.gz DDAMJBIOLBOQEW-ZYHUDNBSSA-N 0 0 187.286 3.540 10 0 AHAERN CCCCCC[C@H](O)/C=C(\C)CC ZINC000205122258 572554256 /nfs/dbraw/zinc/55/42/56/572554256.db2.gz YDITVGLAHNQIGM-IIANPFDCSA-N 0 0 184.323 3.674 10 0 AHAERN CCCCCC[C@@H](O)/C=C(\C)CC ZINC000205122293 572554738 /nfs/dbraw/zinc/55/47/38/572554738.db2.gz YDITVGLAHNQIGM-HCRIHEDKSA-N 0 0 184.323 3.674 10 0 AHAERN CC(=O)CC[C@@H]1[C@H](C)CC[C@@H]1C(C)C ZINC000205136033 572584731 /nfs/dbraw/zinc/58/47/31/572584731.db2.gz LFEXTXOTFJTKGO-RAIGVLPGSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)CC[C@H]1[C@@H](C(C)C)CC[C@@H]1C ZINC000205136050 572585413 /nfs/dbraw/zinc/58/54/13/572585413.db2.gz LFEXTXOTFJTKGO-CYZMBNFOSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)CC[C@@H]1[C@H](C)CC[C@H]1C(C)C ZINC000205136067 572585111 /nfs/dbraw/zinc/58/51/11/572585111.db2.gz LFEXTXOTFJTKGO-KGYLQXTDSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)CC[C@@H]1[C@@H](C)CC[C@H]1C(C)C ZINC000205136083 572585680 /nfs/dbraw/zinc/58/56/80/572585680.db2.gz LFEXTXOTFJTKGO-WCFLWFBJSA-N 0 0 196.334 3.674 10 0 AHAERN CC1=C[C@@H]2CCC[C@@H](C)C2=CC1 ZINC000205281318 573951210 /nfs/dbraw/zinc/95/12/10/573951210.db2.gz QGTMZWLJWLJTMR-MNOVXSKESA-N 0 0 162.276 3.699 10 0 AHAERN CC1=C[C@@H]2CCC[C@H](C)C2=CC1 ZINC000205281329 573951515 /nfs/dbraw/zinc/95/15/15/573951515.db2.gz QGTMZWLJWLJTMR-QWRGUYRKSA-N 0 0 162.276 3.699 10 0 AHAERN CC1=C[C@H]2CCC[C@@H](C)C2=CC1 ZINC000205281340 573950928 /nfs/dbraw/zinc/95/09/28/573950928.db2.gz QGTMZWLJWLJTMR-GHMZBOCLSA-N 0 0 162.276 3.699 10 0 AHAERN CCO/C(C)=C/C=C1CCCCC1 ZINC000205419026 571868621 /nfs/dbraw/zinc/86/86/21/571868621.db2.gz MYFLLXHDBBDCEU-PKNBQFBNSA-N 0 0 180.291 3.817 10 0 AHAERN CC(C)=C=C=CCCC(C)C ZINC000205463729 573376780 /nfs/dbraw/zinc/37/67/80/573376780.db2.gz MGYWZKLCRUOSCK-UHFFFAOYSA-N 0 0 150.265 3.699 10 0 AHAERN CSc1c(C)[nH]c2cccc(C)c21 ZINC000205468918 168310047 /nfs/dbraw/zinc/31/00/47/168310047.db2.gz AGJGNFYSHFWBPI-UHFFFAOYSA-N 0 0 191.299 3.507 10 0 AHAERN C=C/C=C\c1cccc(Cl)c1 ZINC000205471667 573542356 /nfs/dbraw/zinc/54/23/56/573542356.db2.gz KETKPJWTZKBHRQ-HYXAFXHYSA-N 0 0 164.635 3.539 10 0 AHAERN CCCCCC[C@@](O)(CC)CCC ZINC000205490601 573908998 /nfs/dbraw/zinc/90/89/98/573908998.db2.gz QCNSBURDZQTOEK-GFCCVEGCSA-N 0 0 186.339 3.898 10 0 AHAERN CCCCCC[C@](O)(CC)CCC ZINC000205490621 573907269 /nfs/dbraw/zinc/90/72/69/573907269.db2.gz QCNSBURDZQTOEK-LBPRGKRZSA-N 0 0 186.339 3.898 10 0 AHAERN CCCCc1ccc(CCC)o1 ZINC000205518458 571898767 /nfs/dbraw/zinc/89/87/67/571898767.db2.gz SRLPJASWEYXWRS-UHFFFAOYSA-N 0 0 166.264 3.575 10 0 AHAERN CC1(C)C(=O)CC[C@H]2CCCC[C@@]21C ZINC000205537542 573925089 /nfs/dbraw/zinc/92/50/89/573925089.db2.gz LBVATBMHVRFABB-MFKMUULPSA-N 0 0 194.318 3.572 10 0 AHAERN CCCCCCC(=O)[C@@H]1CC1(C)C ZINC000205591067 574036020 /nfs/dbraw/zinc/03/60/20/574036020.db2.gz CFJUMEKVSCRVOQ-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCCCCCC(=O)[C@H]1CC1(C)C ZINC000205591082 574034706 /nfs/dbraw/zinc/03/47/06/574034706.db2.gz CFJUMEKVSCRVOQ-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CC1(C)CCCCCC(C)(C)C1=O ZINC000205736194 572328421 /nfs/dbraw/zinc/32/84/21/572328421.db2.gz GLZAAVYEORGVOH-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC[Si](C)(C)CC=C(C)C ZINC000205751234 572329381 /nfs/dbraw/zinc/32/93/81/572329381.db2.gz HORUDFNILLERSZ-UHFFFAOYSA-N 0 0 156.345 3.681 10 0 AHAERN C/C=C/[C@@H](C)CC(=O)C1CCCCC1 ZINC000205796335 573904649 /nfs/dbraw/zinc/90/46/49/573904649.db2.gz QZRSDZLFBXBCQB-CGAJTASUSA-N 0 0 194.318 3.738 10 0 AHAERN CC[C@@H](C)CCc1ccccc1C ZINC000205818376 572333202 /nfs/dbraw/zinc/33/32/02/572333202.db2.gz STKUXFTYJVDATP-LLVKDONJSA-N 0 0 175.295 3.984 10 0 AHAERN COc1ccccc1[C@H]1CC[C@@H](C)C1 ZINC000205833410 572331917 /nfs/dbraw/zinc/33/19/17/572331917.db2.gz AUNKOIMYEXZERT-MNOVXSKESA-N 0 0 190.286 3.599 10 0 AHAERN COc1ccccc1[C@@H]1CC[C@@H](C)C1 ZINC000205833443 572331042 /nfs/dbraw/zinc/33/10/42/572331042.db2.gz AUNKOIMYEXZERT-GHMZBOCLSA-N 0 0 190.286 3.599 10 0 AHAERN Cc1cc2c(cc1C)[C@@H](C)CCC2 ZINC000205851016 572333215 /nfs/dbraw/zinc/33/32/15/572333215.db2.gz FSMQAKQOXKUTJY-VIFPVBQESA-N 0 0 174.287 3.743 10 0 AHAERN CC/C=C/[C@@H](C)c1ccc(O)c(C)c1 ZINC000205901023 572334771 /nfs/dbraw/zinc/33/47/71/572334771.db2.gz QVVUJGOLAMXHNJ-BRAIEQGRSA-N 0 0 190.286 3.770 10 0 AHAERN CC/C=C/[C@H](C)c1ccc(O)c(C)c1 ZINC000205901057 572334950 /nfs/dbraw/zinc/33/49/50/572334950.db2.gz QVVUJGOLAMXHNJ-PORFMDCZSA-N 0 0 190.286 3.770 10 0 AHAERN CC/C=C/[C@H](C)c1ccc(O)cc1C ZINC000205901229 572333749 /nfs/dbraw/zinc/33/37/49/572333749.db2.gz LPFMIIWTONAFDJ-PORFMDCZSA-N 0 0 190.286 3.770 10 0 AHAERN FC(F)/C=C/c1ccc(Cl)cc1 ZINC000205908163 344375168 /nfs/dbraw/zinc/37/51/68/344375168.db2.gz FZHYSBBYAGXZGJ-ZZXKWVIFSA-N 0 0 188.604 3.618 10 0 AHAERN c1cc2c(s1)C=CCCC=C2 ZINC000205916115 573884464 /nfs/dbraw/zinc/88/44/64/573884464.db2.gz UHZRRWCOZXJKEJ-UHFFFAOYSA-N 0 0 162.257 3.568 10 0 AHAERN ClC(Cl)(Cl)[C@@H]1C=CCCC1 ZINC000205934553 572336472 /nfs/dbraw/zinc/33/64/72/572336472.db2.gz DMVOVEXDYGSKIE-ZCFIWIBFSA-N 0 0 199.508 3.713 10 0 AHAERN CCC1=C(CC)C1OCC(C)(C)C ZINC000206043999 572343689 /nfs/dbraw/zinc/34/36/89/572343689.db2.gz NXRVJSKMHGWLDL-UHFFFAOYSA-N 0 0 182.307 3.548 10 0 AHAERN CCCC[C@H](C)CCC(=O)C(C)C ZINC000206066517 351785393 /nfs/dbraw/zinc/78/53/93/351785393.db2.gz IRLKDGUIOLWNCX-NSHDSACASA-N 0 0 184.323 3.818 10 0 AHAERN C/C=C(/C)C/C=C\C(C)(C)Cl ZINC000206070028 572349639 /nfs/dbraw/zinc/34/96/39/572349639.db2.gz CDFDNYBAYQXZHL-VZPCVYTNSA-N 0 0 172.699 3.916 10 0 AHAERN C/C=C(\C)C/C=C/C(C)(C)Cl ZINC000206070045 572347546 /nfs/dbraw/zinc/34/75/46/572347546.db2.gz CDFDNYBAYQXZHL-RFSWUZDDSA-N 0 0 172.699 3.916 10 0 AHAERN C/C=C(/C)C/C=C/C(C)(C)Cl ZINC000206070069 572346841 /nfs/dbraw/zinc/34/68/41/572346841.db2.gz CDFDNYBAYQXZHL-JXCGNHFNSA-N 0 0 172.699 3.916 10 0 AHAERN C[C@@H]1CCCc2oc3ccccc3c21 ZINC000206163395 572370040 /nfs/dbraw/zinc/37/00/40/572370040.db2.gz FEYPSUVGIVXICW-SECBINFHSA-N 0 0 186.254 3.873 10 0 AHAERN C[C@H]1CCCc2oc3ccccc3c21 ZINC000206163420 572370151 /nfs/dbraw/zinc/37/01/51/572370151.db2.gz FEYPSUVGIVXICW-VIFPVBQESA-N 0 0 186.254 3.873 10 0 AHAERN C(=C\C1CC1)\Sc1ccccc1 ZINC000206185028 572363002 /nfs/dbraw/zinc/36/30/02/572363002.db2.gz QOWFIOJXOBCULQ-HSTULFTRSA-N 0 0 175.276 3.517 10 0 AHAERN C/C=C(\C)[C@@H](C)c1ccccc1 ZINC000206189653 572361908 /nfs/dbraw/zinc/36/19/08/572361908.db2.gz WMWZPNIKDTUKNB-LLMHMKPQSA-N 0 0 160.260 3.756 10 0 AHAERN C/C=C(/C)[C@@H](C)c1ccccc1 ZINC000206189684 572363941 /nfs/dbraw/zinc/36/39/41/572363941.db2.gz WMWZPNIKDTUKNB-NEOSZVFXSA-N 0 0 160.260 3.756 10 0 AHAERN C/C=C(\C)[C@H](C)c1ccccc1 ZINC000206189716 572363232 /nfs/dbraw/zinc/36/32/32/572363232.db2.gz WMWZPNIKDTUKNB-INJWIWPUSA-N 0 0 160.260 3.756 10 0 AHAERN CC(C)C/C=C1/CC[C@H](C)C1 ZINC000206197433 572365119 /nfs/dbraw/zinc/36/51/19/572365119.db2.gz BWWDHTIXPNCZQQ-OYUORYAFSA-N 0 0 152.281 3.779 10 0 AHAERN C/C(=C/C(C)C)CC(=O)CC(C)C ZINC000206451488 572040265 /nfs/dbraw/zinc/04/02/65/572040265.db2.gz XCAQGCVBZKOBMC-WDZFZDKYSA-N 0 0 182.307 3.594 10 0 AHAERN C1=C[C@@H]2CCC[C@@H]1CCCC2 ZINC000206474390 572042871 /nfs/dbraw/zinc/04/28/71/572042871.db2.gz YBXOXQRWKTXICM-QWRGUYRKSA-N 0 0 150.265 3.533 10 0 AHAERN C=C(Cl)c1cc(C)cc(C)c1 ZINC000206533824 572049420 /nfs/dbraw/zinc/04/94/20/572049420.db2.gz NGKQVGFBUWVLFY-UHFFFAOYSA-N 0 0 166.651 3.513 10 0 AHAERN CCCCC/C(=C\OC)C(F)(F)F ZINC000206541808 572047759 /nfs/dbraw/zinc/04/77/59/572047759.db2.gz VMTSZZIXSFKRNN-BQYQJAHWSA-N 0 0 196.212 3.659 10 0 AHAERN CC1=C2c3ccccc3C[C@]2(C)CC1 ZINC000206613971 572052508 /nfs/dbraw/zinc/05/25/08/572052508.db2.gz VNCBAMQHOZJRJO-AWEZNQCLSA-N 0 0 184.282 3.816 10 0 AHAERN CC1=C2c3ccccc3C[C@@]2(C)CC1 ZINC000206614013 572051651 /nfs/dbraw/zinc/05/16/51/572051651.db2.gz VNCBAMQHOZJRJO-CQSZACIVSA-N 0 0 184.282 3.816 10 0 AHAERN CC(C)=C1CCCCCCCC[C@@H]1O ZINC000206622020 572055814 /nfs/dbraw/zinc/05/58/14/572055814.db2.gz JSTFKGGIEWBBJP-ZDUSSCGKSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCC[C@H](C)/C=C/CC(C)=O ZINC000206720476 572380211 /nfs/dbraw/zinc/38/02/11/572380211.db2.gz MXZXYJZLNTWXKA-DJYGCBNOSA-N 0 0 182.307 3.738 10 0 AHAERN C/C=C/[C@@H](CC(C)=O)CC(C)(C)C ZINC000206723031 572380896 /nfs/dbraw/zinc/38/08/96/572380896.db2.gz NOUPIPLLICXUDZ-MLRMMBSGSA-N 0 0 182.307 3.594 10 0 AHAERN C/C=C\[C@H](CC(C)=O)CC(C)(C)C ZINC000206723072 572381421 /nfs/dbraw/zinc/38/14/21/572381421.db2.gz NOUPIPLLICXUDZ-JMEBYUIHSA-N 0 0 182.307 3.594 10 0 AHAERN C/C(=C/Cl)[C@H]1CC=C(C)CC1 ZINC000206729116 572380873 /nfs/dbraw/zinc/38/08/73/572380873.db2.gz HQIKGZMLMNJTIT-RNKPRXRFSA-N 0 0 170.683 3.875 10 0 AHAERN C/C(=C\Cl)[C@@H]1CC=C(C)CC1 ZINC000206729244 572380413 /nfs/dbraw/zinc/38/04/13/572380413.db2.gz HQIKGZMLMNJTIT-TTZKWOQHSA-N 0 0 170.683 3.875 10 0 AHAERN CC1=CCCCCC1(C)C ZINC000206774022 572388630 /nfs/dbraw/zinc/38/86/30/572388630.db2.gz DHWPRDLOQMGMRQ-UHFFFAOYSA-N 0 0 138.254 3.533 10 0 AHAERN C1=C2CCCCC(=CCC1)CC2 ZINC000206775924 572387739 /nfs/dbraw/zinc/38/77/39/572387739.db2.gz MXXAKFOVYXPXSS-UHFFFAOYSA-N 0 0 162.276 3.987 10 0 AHAERN C1=C2CCCC(=CCC1)CC2 ZINC000206775987 572389461 /nfs/dbraw/zinc/38/94/61/572389461.db2.gz YYMUUXPERDDPBA-UHFFFAOYSA-N 0 0 148.249 3.597 10 0 AHAERN CC(=O)C1Cc2cccc3cccc1c23 ZINC000206836861 572387160 /nfs/dbraw/zinc/38/71/60/572387160.db2.gz FHNJSVGDEHIFBR-UKTHLTGXSA-N 0 0 196.249 3.685 10 0 AHAERN CC(=O)C1Cc2cccc3cccc1c23 ZINC000206836906 572387080 /nfs/dbraw/zinc/38/70/80/572387080.db2.gz FHNJSVGDEHIFBR-LCYFTJDESA-N 0 0 196.249 3.685 10 0 AHAERN C/C=C/CC/C=C/SC(C)C ZINC000206845924 572399138 /nfs/dbraw/zinc/39/91/38/572399138.db2.gz HSVWDPFOCNWKPS-KQWYESAVSA-N 0 0 170.321 3.998 10 0 AHAERN Cc1ccc(/C(F)=C(\F)Cl)cc1 ZINC000206872596 344375688 /nfs/dbraw/zinc/37/56/88/344375688.db2.gz PRANLCATPQJQBA-CMDGGOBGSA-N 0 0 188.604 3.799 10 0 AHAERN Cc1ccc(/C(F)=C(/F)Cl)cc1 ZINC000206872642 344375593 /nfs/dbraw/zinc/37/55/93/344375593.db2.gz PRANLCATPQJQBA-HJWRWDBZSA-N 0 0 188.604 3.799 10 0 AHAERN CC(C)(C)O/C=C\C=C/OC(C)(C)C ZINC000206904333 344375645 /nfs/dbraw/zinc/37/56/45/344375645.db2.gz WUWGWKUDZRXHDN-XOHWUJONSA-N 0 0 198.306 3.644 10 0 AHAERN CC(C)(C)O/C=C/C=C\OC(C)(C)C ZINC000206904374 344375660 /nfs/dbraw/zinc/37/56/60/344375660.db2.gz WUWGWKUDZRXHDN-FKJILZIQSA-N 0 0 198.306 3.644 10 0 AHAERN CC(C)(C)O/C=C/C=C/OC(C)(C)C ZINC000206904413 344375610 /nfs/dbraw/zinc/37/56/10/344375610.db2.gz WUWGWKUDZRXHDN-FIFLTTCUSA-N 0 0 198.306 3.644 10 0 AHAERN FC(F)=Cc1cccc(Cl)c1 ZINC000206921361 572403986 /nfs/dbraw/zinc/40/39/86/572403986.db2.gz NDUJPBZFVDVMCN-UHFFFAOYSA-N 0 0 174.577 3.577 10 0 AHAERN C/C(=C(\C)C(C)(C)O)[C@H](C)C(C)(C)C ZINC000206945359 572414163 /nfs/dbraw/zinc/41/41/63/572414163.db2.gz FMFPEBONUBVZAJ-RGAIUGGKSA-N 0 0 198.350 3.776 10 0 AHAERN C[C@H]1C=Cc2ccccc2C1(C)C ZINC000206950180 572412287 /nfs/dbraw/zinc/41/22/87/572412287.db2.gz LNTKBBRCAIFQLG-JTQLQIEISA-N 0 0 172.271 3.627 10 0 AHAERN C1=C2CCC(=CCCC1)CC2 ZINC000207000822 572417246 /nfs/dbraw/zinc/41/72/46/572417246.db2.gz SRYUZPSZGDEMDG-UHFFFAOYSA-N 0 0 148.249 3.597 10 0 AHAERN C1=C2CCCC(=CC1)CCC2 ZINC000207001358 572416263 /nfs/dbraw/zinc/41/62/63/572416263.db2.gz LTZLRZNUOPFYMV-UHFFFAOYSA-N 0 0 148.249 3.597 10 0 AHAERN C=C/C=C/C(=C\C)c1ccccc1 ZINC000207028341 572419500 /nfs/dbraw/zinc/41/95/00/572419500.db2.gz QKNBIZHZXAVVAS-RQYNKHSYSA-N 0 0 170.255 3.832 10 0 AHAERN CS/C=C\c1ccccc1Cl ZINC000207050734 571808768 /nfs/dbraw/zinc/80/87/68/571808768.db2.gz MBQVZDOZQDMMMZ-SREVYHEPSA-N 0 0 184.691 3.674 10 0 AHAERN CS/C=C/c1ccccc1Cl ZINC000207050768 571808243 /nfs/dbraw/zinc/80/82/43/571808243.db2.gz MBQVZDOZQDMMMZ-VOTSOKGWSA-N 0 0 184.691 3.674 10 0 AHAERN CS/C=C\c1cccc(Cl)c1 ZINC000207050802 571810042 /nfs/dbraw/zinc/81/00/42/571810042.db2.gz PESLGARRXOFJRU-WAYWQWQTSA-N 0 0 184.691 3.674 10 0 AHAERN CCC(CC)(P=O)[Si](C)(C)C ZINC000207096048 572433797 /nfs/dbraw/zinc/43/37/97/572433797.db2.gz DBYQONYEWWVYJK-UHFFFAOYSA-N 0 0 190.299 3.714 10 0 AHAERN CCCC/C=C(\CC)[C@@H](O)C=C(C)C ZINC000207171060 572442092 /nfs/dbraw/zinc/44/20/92/572442092.db2.gz ZMIJXVQZAGROFO-SRXBQZRASA-N 0 0 196.334 3.840 10 0 AHAERN Cc1ccc2c(c1)CC[C@H]2C(C)C ZINC000207215968 572446479 /nfs/dbraw/zinc/44/64/79/572446479.db2.gz HIIBPAXYRRQHPW-LBPRGKRZSA-N 0 0 174.287 3.681 10 0 AHAERN C=C/C=C(/C)CCCCC ZINC000207361493 572451582 /nfs/dbraw/zinc/45/15/82/572451582.db2.gz KCEWUAAXLWIJBN-NTMALXAHSA-N 0 0 138.254 3.699 10 0 AHAERN CS/C=C/c1ccc(Cl)cc1 ZINC000207425584 571851940 /nfs/dbraw/zinc/85/19/40/571851940.db2.gz XNTSGMYQPOORLF-VOTSOKGWSA-N 0 0 184.691 3.674 10 0 AHAERN CCCCCO/C=C1\CC=CCC1 ZINC000207479175 572468006 /nfs/dbraw/zinc/46/80/06/572468006.db2.gz XCTUTEDPTGURAP-VAWYXSNFSA-N 0 0 180.291 3.817 10 0 AHAERN CCCCCO/C=C1/CC=CCC1 ZINC000207479218 572468392 /nfs/dbraw/zinc/46/83/92/572468392.db2.gz XCTUTEDPTGURAP-QXMHVHEDSA-N 0 0 180.291 3.817 10 0 AHAERN C1=C2C[C@H](CC1)CCCCC2 ZINC000207532925 572484549 /nfs/dbraw/zinc/48/45/49/572484549.db2.gz RJIRCRHVPJSFMV-NSHDSACASA-N 0 0 150.265 3.677 10 0 AHAERN C/C=C/C=C\CCCCCCCCO ZINC000207571602 572491554 /nfs/dbraw/zinc/49/15/54/572491554.db2.gz PHCFQFQYZLYCKJ-IAROGAJJSA-N 0 0 196.334 3.842 10 0 AHAERN Fc1ccc(/C(Cl)=C\Cl)cc1 ZINC000207921216 572540824 /nfs/dbraw/zinc/54/08/24/572540824.db2.gz BQJSLENORGOPQI-VMPITWQZSA-N 0 0 191.032 3.602 10 0 AHAERN C/C=C(C)/C=C(\C)c1ccccc1N ZINC000209129277 572625619 /nfs/dbraw/zinc/62/56/19/572625619.db2.gz KEMRFKWHUXINEE-YZUAGEKXSA-N 0 0 187.286 3.638 10 0 AHAERN CC[C@@H](C)/C=C/C=C\Cc1ccc[nH]1 ZINC000209864499 572761971 /nfs/dbraw/zinc/76/19/71/572761971.db2.gz RELVCHCEXWJMHA-IGLIKFQKSA-N 0 0 189.302 3.716 10 0 AHAERN C/C=C\C[C@]1(C)CC[C@H](C(C)C)C1=O ZINC000210223196 573891678 /nfs/dbraw/zinc/89/16/78/573891678.db2.gz JLQAPIHTUXUZRB-SVJDAXRGSA-N 0 0 194.318 3.594 10 0 AHAERN C/C=C\[C@H](C)[C@H](O)CC1CCCCC1 ZINC000210353825 572353902 /nfs/dbraw/zinc/35/39/02/572353902.db2.gz RLMABGGGTDEACO-NQUYYZCGSA-N 0 0 196.334 3.530 10 0 AHAERN CC/C(=C\Cl)Oc1ccccc1 ZINC000211245084 572757106 /nfs/dbraw/zinc/75/71/06/572757106.db2.gz OCGCMSOUHRQBKB-CMDGGOBGSA-N 0 0 182.650 3.556 10 0 AHAERN C/C=C\[C@H](C)c1ccccc1NCC ZINC000211337025 572793335 /nfs/dbraw/zinc/79/33/35/572793335.db2.gz PEYJYXRNKNJPGI-OHYQPGSNSA-N 0 0 189.302 3.798 10 0 AHAERN CCCC/C=C/C/C=C(/C)CCCO ZINC000211560802 572914131 /nfs/dbraw/zinc/91/41/31/572914131.db2.gz HRFCJTUNIIVGOQ-OZGSBZGKSA-N 0 0 196.334 3.842 10 0 AHAERN C/C=C\C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000211632650 573166764 /nfs/dbraw/zinc/16/67/64/573166764.db2.gz OXARSDRQDVILJV-XLMCQVRKSA-N 0 0 194.318 3.594 10 0 AHAERN C/C=C\C[C@H]1C[C@H](C(C)C)CCC1=O ZINC000211632738 573165305 /nfs/dbraw/zinc/16/53/05/573165305.db2.gz OXARSDRQDVILJV-JYYSYOFASA-N 0 0 194.318 3.594 10 0 AHAERN CCC(/C=C(\CC(C)C)[N+](=O)[O-])CC ZINC000211649403 573110300 /nfs/dbraw/zinc/11/03/00/573110300.db2.gz XXSDBNKWLNOOPP-DHZHZOJOSA-N 0 0 199.294 3.629 10 0 AHAERN CCCC(=O)[C@@H]1CCCC[C@@H]1C(C)C ZINC000211707842 571868333 /nfs/dbraw/zinc/86/83/33/571868333.db2.gz WJLFMPRKVQNEHG-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(=O)[C@H]1CCCC[C@@H]1C(C)C ZINC000211707928 571867627 /nfs/dbraw/zinc/86/76/27/571867627.db2.gz WJLFMPRKVQNEHG-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(=O)[C@@H]1CCCC[C@H]1C(C)C ZINC000211708012 571868381 /nfs/dbraw/zinc/86/83/81/571868381.db2.gz WJLFMPRKVQNEHG-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(=O)[C@H]1CCCC[C@H]1C(C)C ZINC000211708093 571870199 /nfs/dbraw/zinc/87/01/99/571870199.db2.gz WJLFMPRKVQNEHG-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(=O)[C@@H](CC)C[C@@H](C)CC ZINC000211763373 573916605 /nfs/dbraw/zinc/91/66/05/573916605.db2.gz JZYUQGIRKFXDKT-QWRGUYRKSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC(=O)[C@H](CC)C[C@@H](C)CC ZINC000211763445 573917577 /nfs/dbraw/zinc/91/75/77/573917577.db2.gz JZYUQGIRKFXDKT-WDEREUQCSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC(=O)[C@H](CC)C[C@H](C)CC ZINC000211763585 573915146 /nfs/dbraw/zinc/91/51/46/573915146.db2.gz JZYUQGIRKFXDKT-GHMZBOCLSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC(=O)[C@@H](C)c1ccc(C)s1 ZINC000211763687 573923139 /nfs/dbraw/zinc/92/31/39/573923139.db2.gz SLZNETGFNGPWMG-SECBINFHSA-N 0 0 196.315 3.529 10 0 AHAERN CCCC(=O)[C@H](C)c1ccc(C)s1 ZINC000211763768 573920894 /nfs/dbraw/zinc/92/08/94/573920894.db2.gz SLZNETGFNGPWMG-VIFPVBQESA-N 0 0 196.315 3.529 10 0 AHAERN Cc1ccc2cc3ccsc3nc2c1 ZINC000211858335 168854156 /nfs/dbraw/zinc/85/41/56/168854156.db2.gz TYAPGLJLGWXUFN-UHFFFAOYSA-N 0 0 199.278 3.758 10 0 AHAERN CCCC(=O)[C@@H]1CCC[C@H](CC)CC1 ZINC000211896007 573170723 /nfs/dbraw/zinc/17/07/23/573170723.db2.gz MAFVKDXDRWJUHA-NWDGAFQWSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)[C@H]1CCC[C@H](CC)CC1 ZINC000211896073 573168053 /nfs/dbraw/zinc/16/80/53/573168053.db2.gz MAFVKDXDRWJUHA-RYUDHWBXSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)[C@@H]1CCC[C@@H](CC)CC1 ZINC000211896140 573168145 /nfs/dbraw/zinc/16/81/45/573168145.db2.gz MAFVKDXDRWJUHA-VXGBXAGGSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)[C@H]1CCC[C@@H](CC)CC1 ZINC000211896210 573170417 /nfs/dbraw/zinc/17/04/17/573170417.db2.gz MAFVKDXDRWJUHA-NEPJUHHUSA-N 0 0 196.334 3.962 10 0 AHAERN c1ccc2c(c1)[nH]c1c2C[C@@H]2CC[C@H]1C2 ZINC000211909628 573205751 /nfs/dbraw/zinc/20/57/51/573205751.db2.gz ZGZXFFZKCROIFU-ZJUUUORDSA-N 0 0 197.281 3.608 10 0 AHAERN CCC[C@H](O)[C@@H](CC)C[C@@H](C)CC ZINC000212618626 573505729 /nfs/dbraw/zinc/50/57/29/573505729.db2.gz HOVFULWFFFKTEU-SRVKXCTJSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](O)[C@H](CC)C[C@@H](C)CC ZINC000212618784 573504695 /nfs/dbraw/zinc/50/46/95/573504695.db2.gz HOVFULWFFFKTEU-TUAOUCFPSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@]1(C)C[C@@H]1[C@H](O)C(C)(C)C ZINC000213039026 573911871 /nfs/dbraw/zinc/91/18/71/573911871.db2.gz UVMSHWLYYAEOSI-NTZNESFSSA-N 0 0 198.350 3.610 10 0 AHAERN CC(=O)CC[C@@H]1CC12CCCCCC2 ZINC000213808872 571672656 /nfs/dbraw/zinc/67/26/56/571672656.db2.gz AYZUYNJXLSMRFA-GFCCVEGCSA-N 0 0 194.318 3.716 10 0 AHAERN CC(=O)CC[C@H]1CC12CCCCCC2 ZINC000213808931 571673637 /nfs/dbraw/zinc/67/36/37/571673637.db2.gz AYZUYNJXLSMRFA-LBPRGKRZSA-N 0 0 194.318 3.716 10 0 AHAERN CC(C)/C=C\C[Si](C)(C)C ZINC000213867377 573956923 /nfs/dbraw/zinc/95/69/23/573956923.db2.gz YZFFGGNGSYHFQB-SREVYHEPSA-N 0 0 156.345 3.537 10 0 AHAERN C/C=C(/CCC)CCCCCCO ZINC000213879551 571681322 /nfs/dbraw/zinc/68/13/22/571681322.db2.gz AXFFJLALCYLKKH-QCDXTXTGSA-N 0 0 184.323 3.676 10 0 AHAERN C/C=C(\[C@@H](O)CCC)C1CCCCC1 ZINC000213886141 571681297 /nfs/dbraw/zinc/68/12/97/571681297.db2.gz SCNWBLLNSABQKF-VEIWZVCTSA-N 0 0 196.334 3.674 10 0 AHAERN C/C=C(/[C@@H](O)CCC)C1CCCCC1 ZINC000213886199 572996650 /nfs/dbraw/zinc/99/66/50/572996650.db2.gz SCNWBLLNSABQKF-VFJIKVCNSA-N 0 0 196.334 3.674 10 0 AHAERN C/C=C(\[C@H](O)CCC)C1CCCCC1 ZINC000213886266 571841892 /nfs/dbraw/zinc/84/18/92/571841892.db2.gz SCNWBLLNSABQKF-TWEXNZEWSA-N 0 0 196.334 3.674 10 0 AHAERN C/C=C\C(C)(C)Cc1ccccc1 ZINC000213892131 572993495 /nfs/dbraw/zinc/99/34/95/572993495.db2.gz DBPWYJUESMHZEN-WMZJFQQLSA-N 0 0 174.287 3.831 10 0 AHAERN FC(F)(F)/C=C\C1CCCCC1 ZINC000213893946 344381922 /nfs/dbraw/zinc/38/19/22/344381922.db2.gz SSRWEFAJTHXJSG-SREVYHEPSA-N 0 0 178.197 3.685 10 0 AHAERN CC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC000213988073 571697322 /nfs/dbraw/zinc/69/73/22/571697322.db2.gz ACNIKSNQPRYTMB-UHFFFAOYSA-N 0 0 196.677 3.666 10 0 AHAERN C/C=C\[C@H](CCO)CCCCCC ZINC000214051196 571709007 /nfs/dbraw/zinc/70/90/07/571709007.db2.gz IDAMZPJTMLBIPW-LDJOOVGUSA-N 0 0 184.323 3.532 10 0 AHAERN C/C=C\[C@@H](CCO)CCCCCC ZINC000214051251 571709402 /nfs/dbraw/zinc/70/94/02/571709402.db2.gz IDAMZPJTMLBIPW-HXUAIIEXSA-N 0 0 184.323 3.532 10 0 AHAERN C/C=C/[C@@H](CCO)CCCCCC ZINC000214051306 571709723 /nfs/dbraw/zinc/70/97/23/571709723.db2.gz IDAMZPJTMLBIPW-WNPFHQFXSA-N 0 0 184.323 3.532 10 0 AHAERN CCC(CC)c1ccc(O)cc1Cl ZINC000214137312 571722346 /nfs/dbraw/zinc/72/23/46/571722346.db2.gz SIFCBUZCJJVVQP-UHFFFAOYSA-N 0 0 198.693 3.949 10 0 AHAERN CC(C)c1ccc(Cl)cc1[C@@H](C)O ZINC000214138057 571721786 /nfs/dbraw/zinc/72/17/86/571721786.db2.gz AUAXUPXKDUNOHO-MRVPVSSYSA-N 0 0 198.693 3.517 10 0 AHAERN CC(C)c1ccc(Cl)cc1[C@H](C)O ZINC000214138114 571723838 /nfs/dbraw/zinc/72/38/38/571723838.db2.gz AUAXUPXKDUNOHO-QMMMGPOBSA-N 0 0 198.693 3.517 10 0 AHAERN C/C(=C\CO)CCCCC(C)(C)C ZINC000214430198 573319880 /nfs/dbraw/zinc/31/98/80/573319880.db2.gz UZRHASXTVBVYJW-DHZHZOJOSA-N 0 0 184.323 3.532 10 0 AHAERN Cc1cc2c(cccc2C(C)(C)C)[nH]1 ZINC000214497548 571786897 /nfs/dbraw/zinc/78/68/97/571786897.db2.gz AHGBNRMSZDRGRN-UHFFFAOYSA-N 0 0 187.286 3.774 10 0 AHAERN CCC/C=C/C=C/C=C(C)C ZINC000214622061 571765881 /nfs/dbraw/zinc/76/58/81/571765881.db2.gz BRXVXIZUXSMROT-BLHCBFLLSA-N 0 0 150.265 3.865 10 0 AHAERN C/C=C\COc1cc(Cl)ccc1C ZINC000214689088 571943669 /nfs/dbraw/zinc/94/36/69/571943669.db2.gz SNDHVKQVAJHYEW-ARJAWSKDSA-N 0 0 196.677 3.603 10 0 AHAERN CCCCC/C=C(/C)CCCCO ZINC000214740832 571943912 /nfs/dbraw/zinc/94/39/12/571943912.db2.gz GVPKIINWACZEQH-XFXZXTDPSA-N 0 0 184.323 3.676 10 0 AHAERN CCc1cccc2c(C)c(C)oc21 ZINC000214809933 572942596 /nfs/dbraw/zinc/94/25/96/572942596.db2.gz VYAXZOCQEBCZFS-UHFFFAOYSA-N 0 0 174.243 3.612 10 0 AHAERN C/C=C\COc1ccc(C(C)C)cc1 ZINC000214888832 572082636 /nfs/dbraw/zinc/08/26/36/572082636.db2.gz QYCSUKMSKNSYJQ-PLNGDYQASA-N 0 0 190.286 3.765 10 0 AHAERN CCCCC/C=C/C=C/C=C\CCO ZINC000214960119 573786603 /nfs/dbraw/zinc/78/66/03/573786603.db2.gz SBOIDXSKCMDXFC-ZUGARUELSA-N 0 0 194.318 3.618 10 0 AHAERN Cc1c2ccccc2n2c1CCCCC2 ZINC000214991819 573862206 /nfs/dbraw/zinc/86/22/06/573862206.db2.gz NLLCODBEZSROGE-UHFFFAOYSA-N 0 0 199.297 3.676 10 0 AHAERN Cc1oc2ccc(O)cc2c2cccc1-2 ZINC000215210270 573438892 /nfs/dbraw/zinc/43/88/92/573438892.db2.gz GRVFEUWRIAJPFX-UHFFFAOYSA-N 0 0 198.221 3.552 10 0 AHAERN CCCC[C@H](C=C=CCCCO)CC ZINC000215339259 573708291 /nfs/dbraw/zinc/70/82/91/573708291.db2.gz UQEYOBTXUKCPAD-AZMWARKLSA-N 0 0 196.334 3.687 10 0 AHAERN CCCC[C@@H](C=C=CCCCO)CC ZINC000215339299 573708822 /nfs/dbraw/zinc/70/88/22/573708822.db2.gz UQEYOBTXUKCPAD-RLROJCQXSA-N 0 0 196.334 3.687 10 0 AHAERN CCC/C=C(/CCC)[C@H](O)CCC ZINC000215410076 573791414 /nfs/dbraw/zinc/79/14/14/573791414.db2.gz XWJPHVLVVOVRRF-NLYDNYMLSA-N 0 0 184.323 3.674 10 0 AHAERN CCC/C=C(\CCC)[C@@H](O)CCC ZINC000215410123 573789608 /nfs/dbraw/zinc/78/96/08/573789608.db2.gz XWJPHVLVVOVRRF-IIANPFDCSA-N 0 0 184.323 3.674 10 0 AHAERN CCC/C=C(/CCC)[C@@H](O)CCC ZINC000215410163 573789308 /nfs/dbraw/zinc/78/93/08/573789308.db2.gz XWJPHVLVVOVRRF-WEHUKYGOSA-N 0 0 184.323 3.674 10 0 AHAERN CCC/C=C(/CCC)[C@H](O)C(C)C ZINC000215410209 573787554 /nfs/dbraw/zinc/78/75/54/573787554.db2.gz VBKIDFOBSYQANO-UCQJPZFISA-N 0 0 184.323 3.530 10 0 AHAERN CCC/C=C(\CCC)[C@@H](O)C(C)C ZINC000215410259 573789647 /nfs/dbraw/zinc/78/96/47/573789647.db2.gz VBKIDFOBSYQANO-ZKQHCESOSA-N 0 0 184.323 3.530 10 0 AHAERN CCC/C=C(/CCC)[C@@H](O)C(C)C ZINC000215410308 573791459 /nfs/dbraw/zinc/79/14/59/573791459.db2.gz VBKIDFOBSYQANO-MMRAYRKESA-N 0 0 184.323 3.530 10 0 AHAERN CCCC/C=C/C1CCCC1 ZINC000215647604 344390511 /nfs/dbraw/zinc/39/05/11/344390511.db2.gz MZCWGXPJMHHZJG-VMPITWQZSA-N 0 0 152.281 3.923 10 0 AHAERN CCc1ccc(C)c2nc(C)cc(C)c12 ZINC000215760505 344391895 /nfs/dbraw/zinc/39/18/95/344391895.db2.gz FBAPXTOVNZWXLI-UHFFFAOYSA-N 0 0 199.297 3.722 10 0 AHAERN CO/C=C\c1ccc2sccc2c1 ZINC000215925775 168075141 /nfs/dbraw/zinc/07/51/41/168075141.db2.gz YINQMVBLSRBVAJ-XQRVVYSFSA-N 0 0 190.267 3.518 10 0 AHAERN CCCC/C=C(\C)C(C)C ZINC000215991292 375416773 /nfs/dbraw/zinc/41/67/73/375416773.db2.gz JALWYNJFGYTGKB-CSKARUKUSA-N 0 0 140.270 3.779 10 0 AHAERN CCCCC/C=C\[C@@H](O)CCCC ZINC000216006134 573935580 /nfs/dbraw/zinc/93/55/80/573935580.db2.gz SDDYEJZKAHBXBH-MMRAYRKESA-N 0 0 184.323 3.674 10 0 AHAERN CCCC[C@@H](/C=C\CCCCO)CC ZINC000216255951 573945277 /nfs/dbraw/zinc/94/52/77/573945277.db2.gz LOGYPWYDWBQHQP-ZWXCPPHNSA-N 0 0 198.350 3.922 10 0 AHAERN CC(C)/C=C(\Cl)c1ccccc1 ZINC000216309028 344396842 /nfs/dbraw/zinc/39/68/42/344396842.db2.gz ILXBOFHSPFMPFM-FLIBITNWSA-N 0 0 180.678 3.922 10 0 AHAERN C/C=C(/CC)c1cc(C)c(O)c(C)c1 ZINC000216466845 344397542 /nfs/dbraw/zinc/39/75/42/344397542.db2.gz HXIGZRXFUJHHQI-WZUFQYTHSA-N 0 0 190.286 3.822 10 0 AHAERN Fc1cccc2cccc(Cl)c12 ZINC000217450639 344401651 /nfs/dbraw/zinc/40/16/51/344401651.db2.gz VBWIRWMWBMCOGU-UHFFFAOYSA-N 0 0 180.609 3.632 10 0 AHAERN C=C/C=C/C12CC3CC(CC(C3)C1)C2 ZINC000217976012 344408299 /nfs/dbraw/zinc/40/82/99/344408299.db2.gz OSYGNIBDFHPWMQ-ONEGZZNKSA-N 0 0 188.314 3.945 10 0 AHAERN C/C=C/C=C/c1ccc(Cl)cc1 ZINC000218163686 344410324 /nfs/dbraw/zinc/41/03/24/344410324.db2.gz KKJZPSHHLXBBNN-MQQKCMAXSA-N 0 0 178.662 3.929 10 0 AHAERN CCCC/C=C/C(=C\C(C)(C)C)CO ZINC000218918463 573158652 /nfs/dbraw/zinc/15/86/52/573158652.db2.gz DGTMJZNAGOWDLE-CDKJVOIVSA-N 0 0 196.334 3.698 10 0 AHAERN CCCC[C@@H](O)[C@@H](C=C(C)C)C(C)C ZINC000219208873 573185064 /nfs/dbraw/zinc/18/50/64/573185064.db2.gz QUKIUJURBFORFT-QWHCGFSZSA-N 0 0 198.350 3.776 10 0 AHAERN F/C(=C/c1ccccc1)C(F)(F)F ZINC000219240494 541318320 /nfs/dbraw/zinc/31/83/20/541318320.db2.gz LMRPSCBXFUWTMI-SOFGYWHQSA-N 0 0 190.139 3.559 10 0 AHAERN F/C(=C\c1ccccc1)C(F)(F)F ZINC000219240564 344421398 /nfs/dbraw/zinc/42/13/98/344421398.db2.gz LMRPSCBXFUWTMI-VURMDHGXSA-N 0 0 190.139 3.559 10 0 AHAERN Cc1ccc([C@@]2(C)CCS2)cc1C ZINC000219363550 571967535 /nfs/dbraw/zinc/96/75/35/571967535.db2.gz ZZMNJNRZDAUOEN-GFCCVEGCSA-N 0 0 192.327 3.656 10 0 AHAERN CCC/C=C\[C@H](O)CCCCCC ZINC000219391149 573213428 /nfs/dbraw/zinc/21/34/28/573213428.db2.gz NCOLIBDJCSGQBH-CUZBXDDWSA-N 0 0 184.323 3.674 10 0 AHAERN c1csc(-c2cccc3cc[nH]c32)c1 ZINC000219705481 573254553 /nfs/dbraw/zinc/25/45/53/573254553.db2.gz KSKSZRPTOUKPBS-UHFFFAOYSA-N 0 0 199.278 3.896 10 0 AHAERN CC[C@H](CCCC1CCC1)C(C)=O ZINC000219772211 573269953 /nfs/dbraw/zinc/26/99/53/573269953.db2.gz SHLUJRBUHPVKOM-GFCCVEGCSA-N 0 0 182.307 3.572 10 0 AHAERN FCC1(c2ccccc2)CCCCC1 ZINC000219780338 344428302 /nfs/dbraw/zinc/42/83/02/344428302.db2.gz IWDVLXAWDHEFOP-UHFFFAOYSA-N 0 0 192.277 3.858 10 0 AHAERN C=COC(=O)C(C)(C)C[C@H](C)CCC ZINC000219809180 573288035 /nfs/dbraw/zinc/28/80/35/573288035.db2.gz YDFYRKSPYLTSFX-SNVBAGLBSA-N 0 0 198.306 3.526 10 0 AHAERN C=COC(=O)C(C)(C)C[C@@H](C)CCC ZINC000219809240 572101240 /nfs/dbraw/zinc/10/12/40/572101240.db2.gz YDFYRKSPYLTSFX-JTQLQIEISA-N 0 0 198.306 3.526 10 0 AHAERN C/C=C/CNc1ccc(C)c(Cl)c1 ZINC000220120607 344430579 /nfs/dbraw/zinc/43/05/79/344430579.db2.gz LJMSHEDUXBHLJI-ONEGZZNKSA-N 0 0 195.693 3.636 10 0 AHAERN C/C=C/CNc1cc(Cl)ccc1C ZINC000220142019 351792660 /nfs/dbraw/zinc/79/26/60/351792660.db2.gz KOICCMKIBGNRHK-ONEGZZNKSA-N 0 0 195.693 3.636 10 0 AHAERN ClC1(Cl)CC12CCCCC2 ZINC000220216974 344431161 /nfs/dbraw/zinc/43/11/61/344431161.db2.gz SZDMRCMVGDMSCV-UHFFFAOYSA-N 0 0 179.090 3.515 10 0 AHAERN CCCC/C=C\[C@@H](CO)CCCC ZINC000220632739 573536479 /nfs/dbraw/zinc/53/64/79/573536479.db2.gz SCHKWKAJCCZACO-CUZBXDDWSA-N 0 0 184.323 3.532 10 0 AHAERN CC(C)[C@@H](O)C/C=C\C1CCCCC1 ZINC000220693010 573545937 /nfs/dbraw/zinc/54/59/37/573545937.db2.gz BOAXHQQHKZVELF-XURPKSDJSA-N 0 0 196.334 3.530 10 0 AHAERN CCc1ccc(F)cc1C(C)C ZINC000220798867 573565434 /nfs/dbraw/zinc/56/54/34/573565434.db2.gz ZZRBWHUBNRTPMO-UHFFFAOYSA-N 0 0 166.239 3.512 10 0 AHAERN CC[C@H](O)[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000220831257 344435830 /nfs/dbraw/zinc/43/58/30/344435830.db2.gz OYVDXYDAWRUXDK-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](O)[C@H]1CCC[C@@H](C(C)C)CC1 ZINC000220831372 344435737 /nfs/dbraw/zinc/43/57/37/344435737.db2.gz OYVDXYDAWRUXDK-AGIUHOORSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@H](F)c1ccc2ccccc2c1 ZINC000221026291 344437676 /nfs/dbraw/zinc/43/76/76/344437676.db2.gz UGCLDTZUXOYLIZ-VIFPVBQESA-N 0 0 174.218 3.870 10 0 AHAERN C[C@@H](F)c1ccc2ccccc2c1 ZINC000221026354 344437671 /nfs/dbraw/zinc/43/76/71/344437671.db2.gz UGCLDTZUXOYLIZ-SECBINFHSA-N 0 0 174.218 3.870 10 0 AHAERN CCCCC/C=C\[C@H](CO)CCCC ZINC000221039958 344437545 /nfs/dbraw/zinc/43/75/45/344437545.db2.gz HGGJAMVZQQSQFV-PRWOLLLXSA-N 0 0 198.350 3.922 10 0 AHAERN CCCCC/C=C\[C@@H](CO)CCCC ZINC000221040080 344437593 /nfs/dbraw/zinc/43/75/93/344437593.db2.gz HGGJAMVZQQSQFV-FUWURINLSA-N 0 0 198.350 3.922 10 0 AHAERN CCCCC/C=C/[C@@H](CO)C(C)(C)C ZINC000221040555 572176849 /nfs/dbraw/zinc/17/68/49/572176849.db2.gz UCWLKDWWSGMVOA-VMPCVLLUSA-N 0 0 198.350 3.778 10 0 AHAERN C=C/C=C\CCC(=O)CCCCC ZINC000221072155 571836176 /nfs/dbraw/zinc/83/61/76/571836176.db2.gz FNFMLCAFMFPBOK-ALCCZGGFSA-N 0 0 180.291 3.658 10 0 AHAERN Fc1ccc(/C=C\c2ccco2)cc1 ZINC000221259368 344440718 /nfs/dbraw/zinc/44/07/18/344440718.db2.gz FHVBMAWEGBALFN-YVMONPNESA-N 0 0 188.201 3.589 10 0 AHAERN CC[C@@H]1CC[C@@H](O)[C@@H](CC=C(C)C)C1 ZINC000221606861 344444997 /nfs/dbraw/zinc/44/49/97/344444997.db2.gz LBRDVXJLNZVEHA-FRRDWIJNSA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@@H]1CC[C@H](O)[C@@H](CC=C(C)C)C1 ZINC000221606966 344445016 /nfs/dbraw/zinc/44/50/16/344445016.db2.gz LBRDVXJLNZVEHA-AGIUHOORSA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H](C)Cc1cc(F)cc(F)c1 ZINC000222120518 344449291 /nfs/dbraw/zinc/44/92/91/344449291.db2.gz OKMCRMXEEOMHCA-QMMMGPOBSA-N 0 0 184.229 3.553 10 0 AHAERN Cc1ccc(-c2ccncc2C)cc1C ZINC000222145740 573833006 /nfs/dbraw/zinc/83/30/06/573833006.db2.gz GNQGDEQHMDKPJS-UHFFFAOYSA-N 0 0 197.281 3.674 10 0 AHAERN c1ccn([C@@H]2CC[C@H]3CCCC[C@@H]32)c1 ZINC000222187041 573834392 /nfs/dbraw/zinc/83/43/92/573834392.db2.gz UWNHDEZNKRQMSW-FRRDWIJNSA-N 0 0 189.302 3.629 10 0 AHAERN CCCC(=O)C[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000222361019 572435920 /nfs/dbraw/zinc/43/59/20/572435920.db2.gz XDBFKVJAIJMVIR-GRYCIOLGSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@H](O)C[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000222397255 572704144 /nfs/dbraw/zinc/70/41/44/572704144.db2.gz MJVKYLRMPVKTQD-XQHKEYJVSA-N 0 0 198.350 3.610 10 0 AHAERN c1cn([C@@H]2C=CCCC2)c2ccccc12 ZINC000222637064 573924335 /nfs/dbraw/zinc/92/43/35/573924335.db2.gz GZPLEBGNPIBVHL-CYBMUJFWSA-N 0 0 197.281 3.923 10 0 AHAERN C=Cc1cc(C(C)(C)C)ccc1NC ZINC000222818653 573938471 /nfs/dbraw/zinc/93/84/71/573938471.db2.gz QBOBFLAQKQFWJP-UHFFFAOYSA-N 0 0 189.302 3.669 10 0 AHAERN C=C=C(CCCC)[C@@H](O)CCCCC ZINC000222857307 573179422 /nfs/dbraw/zinc/17/94/22/573179422.db2.gz QGNUDCQBOOTOOV-ZDUSSCGKSA-N 0 0 196.334 3.829 10 0 AHAERN CCCCc1c[nH]cc1CC(C)C ZINC000222890222 171182801 /nfs/dbraw/zinc/18/28/01/171182801.db2.gz PENWGVCGSFTQKC-UHFFFAOYSA-N 0 0 179.307 3.556 10 0 AHAERN CC[C@@H](C)C(=O)c1c(C)cccc1C ZINC000223011546 344456203 /nfs/dbraw/zinc/45/62/03/344456203.db2.gz ZMLYYSDMPDNJOA-SECBINFHSA-N 0 0 190.286 3.532 10 0 AHAERN CC[C@H](C)C(=O)c1c(C)cccc1C ZINC000223011603 344455968 /nfs/dbraw/zinc/45/59/68/344455968.db2.gz ZMLYYSDMPDNJOA-VIFPVBQESA-N 0 0 190.286 3.532 10 0 AHAERN C=C/C=C\C=C\c1cccs1 ZINC000223097974 344456833 /nfs/dbraw/zinc/45/68/33/344456833.db2.gz BJXRFNDUDQVFEN-QVXLNCAUSA-N 0 0 162.257 3.504 10 0 AHAERN C/C=C/c1nsc2ccc(C)cc12 ZINC000223157630 573555998 /nfs/dbraw/zinc/55/59/98/573555998.db2.gz PZLBSLPJDJAWKE-ONEGZZNKSA-N 0 0 189.283 3.638 10 0 AHAERN CCC[C@](C)(O)CCC1CCCCC1 ZINC000223250791 573533216 /nfs/dbraw/zinc/53/32/16/573533216.db2.gz UNSCMWYKJMSGIP-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CC1(C)[C@H]2CC[C@]1(C)/C(=C/Cl)C2 ZINC000223375094 573732074 /nfs/dbraw/zinc/73/20/74/573732074.db2.gz VMHSHDQUTMMFMX-VPAVPRHGSA-N 0 0 184.710 3.955 10 0 AHAERN F/C(=C/Cl)n1ccc2ccccc21 ZINC000223420258 573735186 /nfs/dbraw/zinc/73/51/86/573735186.db2.gz LYCGKECYYWNYKA-YFHOEESVSA-N 0 0 195.624 3.606 10 0 AHAERN F/C(=C\Cl)n1ccc2ccccc21 ZINC000223420308 573793857 /nfs/dbraw/zinc/79/38/57/573793857.db2.gz LYCGKECYYWNYKA-JXMROGBWSA-N 0 0 195.624 3.606 10 0 AHAERN CCCCC[C@H](CC)[C@H]1CCC[C@@H]1O ZINC000223864787 573044569 /nfs/dbraw/zinc/04/45/69/573044569.db2.gz ZXFQMFWCOGYDKK-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN Cc1cc(O)c2cccc(Cl)c2c1 ZINC000223872934 573041549 /nfs/dbraw/zinc/04/15/49/573041549.db2.gz USKDANZSBYCIEB-UHFFFAOYSA-N 0 0 192.645 3.507 10 0 AHAERN CCc1cc2c(ccnc2Cl)s1 ZINC000223883416 573089748 /nfs/dbraw/zinc/08/97/48/573089748.db2.gz MESLFFPKQBEZIU-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN C/C(=C/c1ccccc1)C1CCC1 ZINC000223913095 573161484 /nfs/dbraw/zinc/16/14/84/573161484.db2.gz KHPVQECSQDRLKZ-KHPPLWFESA-N 0 0 172.271 3.890 10 0 AHAERN C=C/C=C\CC[C@H](C)CC ZINC000223943084 574027297 /nfs/dbraw/zinc/02/72/97/574027297.db2.gz GNLBHDKLGVRFHA-JYESYGNLSA-N 0 0 138.254 3.555 10 0 AHAERN C=C/C=C\CC[C@@H](C)CC ZINC000223943189 574027001 /nfs/dbraw/zinc/02/70/01/574027001.db2.gz GNLBHDKLGVRFHA-GFVADAIESA-N 0 0 138.254 3.555 10 0 AHAERN CC(C)=Cc1c(C)cc(C)c(N)c1C ZINC000224034885 573322185 /nfs/dbraw/zinc/32/21/85/573322185.db2.gz JZXCLBXJFIOXNQ-UHFFFAOYSA-N 0 0 189.302 3.617 10 0 AHAERN Fc1cc2ccsc2c(Cl)c1 ZINC000224174513 573473444 /nfs/dbraw/zinc/47/34/44/573473444.db2.gz FXICAYWEQJUXJH-UHFFFAOYSA-N 0 0 186.638 3.694 10 0 AHAERN Fc1cc(C2CCC2)ccc1Cl ZINC000224198299 582668469 /nfs/dbraw/zinc/66/84/69/582668469.db2.gz BFRQFQFFGPDQGH-UHFFFAOYSA-N 0 0 184.641 3.747 10 0 AHAERN C1=CC(=C2SCCCCS2)C=C1 ZINC000224283522 344467886 /nfs/dbraw/zinc/46/78/86/344467886.db2.gz QUDAZWRUFXXSHI-UHFFFAOYSA-N 0 0 196.340 3.584 10 0 AHAERN CCC(=O)CC1CCC(C)(C)CC1 ZINC000224328656 573565758 /nfs/dbraw/zinc/56/57/58/573565758.db2.gz XLEDWNZNBUVNGV-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC/C=C(\C=C\[C@H](C)O)C(C)(C)CC ZINC000224350230 573009138 /nfs/dbraw/zinc/00/91/38/573009138.db2.gz KTQJGNSJZVLOTJ-HCLUUBNKSA-N 0 0 196.334 3.696 10 0 AHAERN CC[C@@H]1CC(=O)CC[C@@H]1C(C)(C)CC ZINC000224762267 629888989 /nfs/dbraw/zinc/88/89/89/629888989.db2.gz AQQQSQJQLCKFLI-PWSUYJOCSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CC(=O)CC[C@@H]1C(C)(C)CC ZINC000224762305 697688982 /nfs/dbraw/zinc/68/89/82/697688982.db2.gz AQQQSQJQLCKFLI-JQWIXIFHSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CC(=O)CC[C@H]1C(C)(C)CC ZINC000224762355 697689142 /nfs/dbraw/zinc/68/91/42/697689142.db2.gz AQQQSQJQLCKFLI-ZYHUDNBSSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1CC(=O)CC[C@H]1C(C)(C)CC ZINC000224762399 697689464 /nfs/dbraw/zinc/68/94/64/697689464.db2.gz AQQQSQJQLCKFLI-CMPLNLGQSA-N 0 0 196.334 3.818 10 0 AHAERN C=Cc1ccc2sccc2c1OC ZINC000224810192 573037860 /nfs/dbraw/zinc/03/78/60/573037860.db2.gz PZCAYLNIFOBRRB-UHFFFAOYSA-N 0 0 190.267 3.553 10 0 AHAERN CCC(C)(C)COc1ccc(C)cc1 ZINC000224832416 573074259 /nfs/dbraw/zinc/07/42/59/573074259.db2.gz UBQKIUSDMLZEFV-UHFFFAOYSA-N 0 0 192.302 3.810 10 0 AHAERN C/C=C\[C@@H](C)Nc1ccccc1Cl ZINC000224855864 573072553 /nfs/dbraw/zinc/07/25/53/573072553.db2.gz ZSBJWCNOBGSKEM-JVBZPZKUSA-N 0 0 195.693 3.717 10 0 AHAERN CCc1cc2sccc2cc1F ZINC000224987530 573740482 /nfs/dbraw/zinc/74/04/82/573740482.db2.gz XPXNPBLVYRFSPU-UHFFFAOYSA-N 0 0 180.247 3.603 10 0 AHAERN C/C(=C\C(F)(F)F)c1ccccc1 ZINC000225133277 344476808 /nfs/dbraw/zinc/47/68/08/344476808.db2.gz TUOXOSWXAUXDTN-BQYQJAHWSA-N 0 0 186.176 3.652 10 0 AHAERN CC[C@]1(C)C(=O)[C@@H]2CCCCCC[C@@H]21 ZINC000225152194 344477424 /nfs/dbraw/zinc/47/74/24/344477424.db2.gz HTIRXZYQBXAIGB-MDZLAQPJSA-N 0 0 194.318 3.572 10 0 AHAERN CCC(C)(C)CC(=O)C(C)(C)CC ZINC000225673060 573176431 /nfs/dbraw/zinc/17/64/31/573176431.db2.gz UVDLDJZZGNCAAA-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN CC(=O)CC/C(C)=C\C[Si](C)(C)C ZINC000225694999 573181645 /nfs/dbraw/zinc/18/16/45/573181645.db2.gz YFJDXPKEXMMRQX-NTMALXAHSA-N 0 0 198.382 3.640 10 0 AHAERN C/C=C(/C)C[C@@H](O)CCCCCC ZINC000225701637 573179521 /nfs/dbraw/zinc/17/95/21/573179521.db2.gz PKYMZDTXPVSUQY-QJGQKNTRSA-N 0 0 184.323 3.674 10 0 AHAERN C/C=C(/C)C[C@H](O)CCCCCC ZINC000225701683 573182667 /nfs/dbraw/zinc/18/26/67/573182667.db2.gz PKYMZDTXPVSUQY-DKRCXCIFSA-N 0 0 184.323 3.674 10 0 AHAERN CCCCCC/C(C)=C\C[C@H](C)O ZINC000225704681 573181326 /nfs/dbraw/zinc/18/13/26/573181326.db2.gz ZDXOGZQHQFOHEV-MMRAYRKESA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@H](C)C[C@@]1(O)CCC[C@@H](C)CC1 ZINC000226702200 344510343 /nfs/dbraw/zinc/51/03/43/344510343.db2.gz KAYPSBXDTLGEEE-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@]1(O)CCC[C@@H](C)CC1 ZINC000226702210 344510456 /nfs/dbraw/zinc/51/04/56/344510456.db2.gz KAYPSBXDTLGEEE-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CC1(C)CCC[C@@H]1C(=O)CC1CCC1 ZINC000226786855 344514182 /nfs/dbraw/zinc/51/41/82/344514182.db2.gz PJGDKYXLAUATET-LLVKDONJSA-N 0 0 194.318 3.572 10 0 AHAERN CC1(C)CCC[C@H]1C(=O)CC1CCC1 ZINC000226786858 344514092 /nfs/dbraw/zinc/51/40/92/344514092.db2.gz PJGDKYXLAUATET-NSHDSACASA-N 0 0 194.318 3.572 10 0 AHAERN CC1(C)CCCC[C@@H]1C(=O)C1CCC1 ZINC000226800360 344514346 /nfs/dbraw/zinc/51/43/46/344514346.db2.gz PIIYSNSMDKINNS-LLVKDONJSA-N 0 0 194.318 3.572 10 0 AHAERN CC1(C)CCCC[C@H]1C(=O)C1CCC1 ZINC000226800367 344514480 /nfs/dbraw/zinc/51/44/80/344514480.db2.gz PIIYSNSMDKINNS-NSHDSACASA-N 0 0 194.318 3.572 10 0 AHAERN CCC[C@](C)(O)C1C[C@H](C)C[C@@H](C)C1 ZINC000226852941 344515800 /nfs/dbraw/zinc/51/58/00/344515800.db2.gz LCUBPLQPIINMEE-WZRBSPASSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@](C)(O)[C@@H]1CCC[C@@H](C)C1 ZINC000226980169 344518368 /nfs/dbraw/zinc/51/83/68/344518368.db2.gz MCJNCEUMFVMSMD-XQHKEYJVSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)C[C@@H]1CCCC[C@@H](O)C1 ZINC000227234103 571791724 /nfs/dbraw/zinc/79/17/24/571791724.db2.gz IUYBOHLNZOWTBI-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN Cc1sccc1C(=O)CC(C)(C)C ZINC000227772641 344547271 /nfs/dbraw/zinc/54/72/71/344547271.db2.gz WPUIJLNLTQIOMC-UHFFFAOYSA-N 0 0 196.315 3.675 10 0 AHAERN CC(C)(C)[C@@](C)(O)CC1CCCCC1 ZINC000227977858 344553856 /nfs/dbraw/zinc/55/38/56/344553856.db2.gz IRRUSHRQPWCFMO-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)[C@](C)(O)CC1CCCCC1 ZINC000227977868 344554193 /nfs/dbraw/zinc/55/41/93/344554193.db2.gz IRRUSHRQPWCFMO-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@@H](O)c1coc(C)c1 ZINC000229182763 572056546 /nfs/dbraw/zinc/05/65/46/572056546.db2.gz SSOIKLZBWLSBJY-GFCCVEGCSA-N 0 0 196.290 3.592 10 0 AHAERN CC(C)CCCC(=O)[C@@H](C)C(C)C ZINC000229450744 571741655 /nfs/dbraw/zinc/74/16/55/571741655.db2.gz HOXYDVGEZBUKIK-NSHDSACASA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@@H]1CCC[C@@H]1Nc1ccsc1 ZINC000229639279 344608227 /nfs/dbraw/zinc/60/82/27/344608227.db2.gz IWRSKMOGBLWZEG-KOLCDFICSA-N 0 0 195.331 3.739 10 0 AHAERN CC[C@H]1CCC[C@@H]1Nc1ccsc1 ZINC000229639286 344608077 /nfs/dbraw/zinc/60/80/77/344608077.db2.gz IWRSKMOGBLWZEG-ONGXEEELSA-N 0 0 195.331 3.739 10 0 AHAERN CC[C@@H]1CCC[C@H]1Nc1ccsc1 ZINC000229639295 344608214 /nfs/dbraw/zinc/60/82/14/344608214.db2.gz IWRSKMOGBLWZEG-MWLCHTKSSA-N 0 0 195.331 3.739 10 0 AHAERN CC[C@H]1CCC[C@H]1Nc1ccsc1 ZINC000229639301 344608374 /nfs/dbraw/zinc/60/83/74/344608374.db2.gz IWRSKMOGBLWZEG-GXSJLCMTSA-N 0 0 195.331 3.739 10 0 AHAERN C[C@@H](CC1CCC1)Nc1ccsc1 ZINC000229698627 344612173 /nfs/dbraw/zinc/61/21/73/344612173.db2.gz LGHRWYJQHMNCJF-VIFPVBQESA-N 0 0 195.331 3.739 10 0 AHAERN C[C@H](CC1CCC1)Nc1ccsc1 ZINC000229698633 344612291 /nfs/dbraw/zinc/61/22/91/344612291.db2.gz LGHRWYJQHMNCJF-SECBINFHSA-N 0 0 195.331 3.739 10 0 AHAERN CC(C)C[C@@](C)(O)C1CCCCCC1 ZINC000229743540 344613703 /nfs/dbraw/zinc/61/37/03/344613703.db2.gz IROJWPFWCOMIJK-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C[C@](C)(O)C1CCCCCC1 ZINC000229743546 344613459 /nfs/dbraw/zinc/61/34/59/344613459.db2.gz IROJWPFWCOMIJK-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C[C@](C)(O)[C@@H]1CCC[C@@H](C)C1 ZINC000229743850 344613724 /nfs/dbraw/zinc/61/37/24/344613724.db2.gz LWBUHJMZTJLKHN-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@](C)(O)[C@H]1CCC[C@@H](C)C1 ZINC000229743867 344613585 /nfs/dbraw/zinc/61/35/85/344613585.db2.gz LWBUHJMZTJLKHN-AGIUHOORSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@]1(O)CCC[C@H](CC(C)C)C1 ZINC000230785549 572586443 /nfs/dbraw/zinc/58/64/43/572586443.db2.gz PHQUJNOKEGVPCG-OLZOCXBDSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C[C@@H]1CCC/C(=C\[C@H](C)O)C1 ZINC000230795722 344643293 /nfs/dbraw/zinc/64/32/93/344643293.db2.gz FYHIZSWVAFKSDL-VKXYGBLQSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@H]1CCC/C(=C\[C@H](C)O)C1 ZINC000230795725 344643270 /nfs/dbraw/zinc/64/32/70/344643270.db2.gz FYHIZSWVAFKSDL-ZSEQQEGFSA-N 0 0 196.334 3.530 10 0 AHAERN CC(=O)c1cccc([C@H](C)C(C)C)c1 ZINC000230864957 573306153 /nfs/dbraw/zinc/30/61/53/573306153.db2.gz XKNLDJLTBXTKEA-SNVBAGLBSA-N 0 0 190.286 3.649 10 0 AHAERN CC(C)[C@@H]1CCC[C@@](O)(C(C)(C)C)C1 ZINC000231008740 344647349 /nfs/dbraw/zinc/64/73/49/344647349.db2.gz GNDLYLOIRVLXPV-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@H]1CCC[C@@](O)(C(C)(C)C)C1 ZINC000231008742 344647352 /nfs/dbraw/zinc/64/73/52/344647352.db2.gz GNDLYLOIRVLXPV-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@H]1CCC[C@](O)(C(C)(C)C)C1 ZINC000231008745 344647348 /nfs/dbraw/zinc/64/73/48/344647348.db2.gz GNDLYLOIRVLXPV-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@H]1CCC[C@](O)(C(C)(C)C)C1 ZINC000231008746 344647253 /nfs/dbraw/zinc/64/72/53/344647253.db2.gz GNDLYLOIRVLXPV-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CS[C@@H](C)c1ccc(Cl)s1 ZINC000231140692 344648673 /nfs/dbraw/zinc/64/86/73/344648673.db2.gz QCDBZUKQKMBIKE-YFKPBYRVSA-N 0 0 192.736 3.826 10 0 AHAERN CS[C@H](C)c1ccc(Cl)s1 ZINC000231140715 344648581 /nfs/dbraw/zinc/64/85/81/344648581.db2.gz QCDBZUKQKMBIKE-RXMQYKEDSA-N 0 0 192.736 3.826 10 0 AHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2C[C@H]1C ZINC000231225536 573315233 /nfs/dbraw/zinc/31/52/33/573315233.db2.gz UBGLIVPMNDOOTE-WYUUTHIRSA-N 0 0 166.308 3.859 10 0 AHAERN Clc1cnc2c(Cl)cccc2c1 ZINC000231431196 573327719 /nfs/dbraw/zinc/32/77/19/573327719.db2.gz TXFADENWBNZTTG-UHFFFAOYSA-N 0 0 198.052 3.542 10 0 AHAERN CC1CC(Nc2cccc(Cl)c2)C1 ZINC000231789765 344661058 /nfs/dbraw/zinc/66/10/58/344661058.db2.gz JJDCUAIPDLWTOK-UHFFFAOYSA-N 0 0 195.693 3.550 10 0 AHAERN CC1CC(Nc2ccc(Cl)cc2)C1 ZINC000231789888 344661007 /nfs/dbraw/zinc/66/10/07/344661007.db2.gz DCDPMQHJPIUIPG-UHFFFAOYSA-N 0 0 195.693 3.550 10 0 AHAERN CC1CC(Nc2ccccc2Cl)C1 ZINC000231790144 344661124 /nfs/dbraw/zinc/66/11/24/344661124.db2.gz NDNCKWVSBJZEJM-UHFFFAOYSA-N 0 0 195.693 3.550 10 0 AHAERN C/C(=C/Cl)CNc1cccc(C)c1 ZINC000231997019 344669208 /nfs/dbraw/zinc/66/92/08/344669208.db2.gz DCHOTOFSHXHTCE-YFHOEESVSA-N 0 0 195.693 3.550 10 0 AHAERN C/C(=C/Cl)CNc1ccc(C)cc1 ZINC000231997661 344669285 /nfs/dbraw/zinc/66/92/85/344669285.db2.gz XBGUWXZUCJTYOS-YFHOEESVSA-N 0 0 195.693 3.550 10 0 AHAERN C/C(=C/Cl)CNc1ccccc1C ZINC000231997675 344669233 /nfs/dbraw/zinc/66/92/33/344669233.db2.gz POSNIRMZEMCQTM-CLFYSBASSA-N 0 0 195.693 3.550 10 0 AHAERN CC[C@@H](C)Nc1cc(C)ccc1Cl ZINC000232229371 344673327 /nfs/dbraw/zinc/67/33/27/344673327.db2.gz GPYXKTBECXMSCQ-SECBINFHSA-N 0 0 197.709 3.859 10 0 AHAERN CC[C@H](C)Nc1cc(C)ccc1Cl ZINC000232229373 344673337 /nfs/dbraw/zinc/67/33/37/344673337.db2.gz GPYXKTBECXMSCQ-VIFPVBQESA-N 0 0 197.709 3.859 10 0 AHAERN C/C=C/CNc1c(C)cccc1Cl ZINC000232469529 344679354 /nfs/dbraw/zinc/67/93/54/344679354.db2.gz HRHAUGHXRYJELE-ONEGZZNKSA-N 0 0 195.693 3.636 10 0 AHAERN C/C=C/CNc1cc(C)ccc1Cl ZINC000232470040 344679309 /nfs/dbraw/zinc/67/93/09/344679309.db2.gz TZFKJIDCFBZFFZ-ONEGZZNKSA-N 0 0 195.693 3.636 10 0 AHAERN CC(C)C1CC(Nc2ccsc2)C1 ZINC000232541772 344681392 /nfs/dbraw/zinc/68/13/92/344681392.db2.gz ITZWMVPDABHVBV-UHFFFAOYSA-N 0 0 195.331 3.595 10 0 AHAERN Cc1cccc(C)c1C(=O)CC(C)C ZINC000232559237 344682822 /nfs/dbraw/zinc/68/28/22/344682822.db2.gz JFXBENJKRTZOQR-UHFFFAOYSA-N 0 0 190.286 3.532 10 0 AHAERN c1[nH]c2ccccc2c1CC1CCC1 ZINC000232567399 344683808 /nfs/dbraw/zinc/68/38/08/344683808.db2.gz SKGAHEBPYVHAOO-UHFFFAOYSA-N 0 0 185.270 3.511 10 0 AHAERN CC(C)C[C@@](C)(O)C1=CCCCCC1 ZINC000232631117 344686256 /nfs/dbraw/zinc/68/62/56/344686256.db2.gz XSJURFNZZZZGHP-CYBMUJFWSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@](C)(O)C1=CCCCCC1 ZINC000232637435 344686523 /nfs/dbraw/zinc/68/65/23/344686523.db2.gz XSJURFNZZZZGHP-ZDUSSCGKSA-N 0 0 196.334 3.674 10 0 AHAERN Cc1cccc2c(CC(C)C)c[nH]c21 ZINC000232657366 344687577 /nfs/dbraw/zinc/68/75/77/344687577.db2.gz VVLGBQQTYMCXAM-UHFFFAOYSA-N 0 0 187.286 3.675 10 0 AHAERN CC(C)c1c[nH]c2c1cccc2Cl ZINC000232767595 344689417 /nfs/dbraw/zinc/68/94/17/344689417.db2.gz FSOACHFJOPXKKS-UHFFFAOYSA-N 0 0 193.677 3.945 10 0 AHAERN CC1(C)CCCC[C@]1(O)CCC1CC1 ZINC000232789124 344690264 /nfs/dbraw/zinc/69/02/64/344690264.db2.gz CYPNFCWUHFWGLO-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)c1csc([C@@H]2CC2(C)C)n1 ZINC000232789628 344690575 /nfs/dbraw/zinc/69/05/75/344690575.db2.gz FXYZDZKDGHBJIW-QMMMGPOBSA-N 0 0 195.331 3.780 10 0 AHAERN CC(C)c1csc([C@H]2CC2(C)C)n1 ZINC000232791059 344690744 /nfs/dbraw/zinc/69/07/44/344690744.db2.gz FXYZDZKDGHBJIW-MRVPVSSYSA-N 0 0 195.331 3.780 10 0 AHAERN CC(C)n1ccc2cccc(Cl)c21 ZINC000232829964 344693658 /nfs/dbraw/zinc/69/36/58/344693658.db2.gz ZUWCAWHFAXTECS-UHFFFAOYSA-N 0 0 193.677 3.876 10 0 AHAERN CC1(C)C[C@H]1c1nc(C2CC2)cs1 ZINC000232840625 344694485 /nfs/dbraw/zinc/69/44/85/344694485.db2.gz QJLUXTBDXIEFDQ-QMMMGPOBSA-N 0 0 193.315 3.534 10 0 AHAERN CCC(C)(C)[C@@H]1CNc2ccccc21 ZINC000232841513 344694468 /nfs/dbraw/zinc/69/44/68/344694468.db2.gz FPUPBBGSQQGOHU-LLVKDONJSA-N 0 0 189.302 3.632 10 0 AHAERN CCC(C)(C)[C@H]1CNc2ccccc21 ZINC000232868066 344695811 /nfs/dbraw/zinc/69/58/11/344695811.db2.gz FPUPBBGSQQGOHU-NSHDSACASA-N 0 0 189.302 3.632 10 0 AHAERN CC1(C)C[C@@H]1c1nc(C2CC2)cs1 ZINC000232872251 344696221 /nfs/dbraw/zinc/69/62/21/344696221.db2.gz QJLUXTBDXIEFDQ-MRVPVSSYSA-N 0 0 193.315 3.534 10 0 AHAERN CCCCC(=O)c1c(C)cccc1C ZINC000232913112 344697104 /nfs/dbraw/zinc/69/71/04/344697104.db2.gz DAJZBHRIJSTGBA-UHFFFAOYSA-N 0 0 190.286 3.676 10 0 AHAERN CCCC[C@H]1CNc2c1cccc2C ZINC000232998313 344698743 /nfs/dbraw/zinc/69/87/43/344698743.db2.gz RJKZPBGWKPTJAN-NSHDSACASA-N 0 0 189.302 3.694 10 0 AHAERN CCCC[C@H]1CNc2c1cccc2F ZINC000232998532 344698801 /nfs/dbraw/zinc/69/88/01/344698801.db2.gz OYEPMZWPCGFFKQ-VIFPVBQESA-N 0 0 193.265 3.525 10 0 AHAERN CCCC[C@@H]1CNc2c1cccc2C ZINC000232999725 344698581 /nfs/dbraw/zinc/69/85/81/344698581.db2.gz RJKZPBGWKPTJAN-LLVKDONJSA-N 0 0 189.302 3.694 10 0 AHAERN CCCC[C@@H]1CNc2c1cccc2F ZINC000232999903 344698636 /nfs/dbraw/zinc/69/86/36/344698636.db2.gz OYEPMZWPCGFFKQ-SECBINFHSA-N 0 0 193.265 3.525 10 0 AHAERN CCCCc1c[nH]c2c1cccc2F ZINC000233007520 344698683 /nfs/dbraw/zinc/69/86/83/344698683.db2.gz SGDYHQKHBZQJGK-UHFFFAOYSA-N 0 0 191.249 3.650 10 0 AHAERN CCC1(Cn2c(C)ccc2C)CCC1 ZINC000233032962 344699205 /nfs/dbraw/zinc/69/92/05/344699205.db2.gz IEGKYFVDHXKLFE-UHFFFAOYSA-N 0 0 191.318 3.685 10 0 AHAERN CCC[C@@H](C)C(=O)[C@@H]1CCCC1(C)C ZINC000233271192 573805562 /nfs/dbraw/zinc/80/55/62/573805562.db2.gz RDQQSASNRBUUER-MNOVXSKESA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H](C)C1(O)CCCCCC1 ZINC000233273804 344699902 /nfs/dbraw/zinc/69/99/02/344699902.db2.gz SWEPPZUAXFYQEQ-LLVKDONJSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@@H](C)C[C@@](O)(CC)CCC ZINC000233275197 573821398 /nfs/dbraw/zinc/82/13/98/573821398.db2.gz ULYARRPKUHSVIQ-VXGBXAGGSA-N 0 0 186.339 3.754 10 0 AHAERN CCC[C@@H](C)Oc1cccc(C)c1F ZINC000233282155 573888141 /nfs/dbraw/zinc/88/81/41/573888141.db2.gz SLEPQYGYAQMREU-SNVBAGLBSA-N 0 0 196.265 3.702 10 0 AHAERN CCC[C@@H](C)Oc1cccc(Cl)c1 ZINC000233282218 573889514 /nfs/dbraw/zinc/88/95/14/573889514.db2.gz JBIYAPYNEOKWJG-SECBINFHSA-N 0 0 198.693 3.907 10 0 AHAERN CCC[C@@H](C)[C@](C)(O)C1CCCCC1 ZINC000233283763 573916985 /nfs/dbraw/zinc/91/69/85/573916985.db2.gz LYDSYULWTCPRAG-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)Sc1ccc(N)cc1 ZINC000233284332 573944898 /nfs/dbraw/zinc/94/48/98/573944898.db2.gz IOUAPHRFRYVGHQ-SECBINFHSA-N 0 0 195.331 3.550 10 0 AHAERN CCC[C@@H](C)[C@]1(O)CCCCC1(C)C ZINC000233284567 344700189 /nfs/dbraw/zinc/70/01/89/344700189.db2.gz KFDBWBXHQNBDGA-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H]1CNc2c1cccc2Cl ZINC000233300852 344700320 /nfs/dbraw/zinc/70/03/20/344700320.db2.gz MXUQHYMHXAGQHG-MRVPVSSYSA-N 0 0 195.693 3.649 10 0 AHAERN CCC[C@@H]1CNc2ccc(Cl)cc21 ZINC000233300877 344700253 /nfs/dbraw/zinc/70/02/53/344700253.db2.gz HKAIRTMSWBBVQO-MRVPVSSYSA-N 0 0 195.693 3.649 10 0 AHAERN CCC[C@H](C)C1(O)CCCCCC1 ZINC000233327556 344700674 /nfs/dbraw/zinc/70/06/74/344700674.db2.gz SWEPPZUAXFYQEQ-NSHDSACASA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@H](C)Oc1cc(C)ccc1F ZINC000233340260 573182343 /nfs/dbraw/zinc/18/23/43/573182343.db2.gz VNGQDEOFLRJBCK-JTQLQIEISA-N 0 0 196.265 3.702 10 0 AHAERN CCC[C@H](C)[C@]1(O)CCCCC1(C)C ZINC000233340642 344700687 /nfs/dbraw/zinc/70/06/87/344700687.db2.gz KFDBWBXHQNBDGA-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)Oc1cccc(CC)c1 ZINC000233342893 573229453 /nfs/dbraw/zinc/22/94/53/573229453.db2.gz ARDXDIUGWXTNOX-NSHDSACASA-N 0 0 192.302 3.816 10 0 AHAERN CCC[C@H](C)Oc1ccccc1CC ZINC000233343159 573229970 /nfs/dbraw/zinc/22/99/70/573229970.db2.gz AHHAOYHQGCJAKI-NSHDSACASA-N 0 0 192.302 3.816 10 0 AHAERN CCC[C@H](C)Oc1ccccc1Cl ZINC000233343205 573225619 /nfs/dbraw/zinc/22/56/19/573225619.db2.gz FUEAUCULNKBRPZ-VIFPVBQESA-N 0 0 198.693 3.907 10 0 AHAERN CCC[C@H](C)[C@@]1(O)CCCCC1(C)C ZINC000233343428 344701279 /nfs/dbraw/zinc/70/12/79/344701279.db2.gz KFDBWBXHQNBDGA-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H]1CNc2c1cccc2Cl ZINC000233365167 371724911 /nfs/dbraw/zinc/72/49/11/371724911.db2.gz MXUQHYMHXAGQHG-QMMMGPOBSA-N 0 0 195.693 3.649 10 0 AHAERN CCC[C@H]1CNc2ccc(Cl)cc21 ZINC000233365413 371724914 /nfs/dbraw/zinc/72/49/14/371724914.db2.gz HKAIRTMSWBBVQO-QMMMGPOBSA-N 0 0 195.693 3.649 10 0 AHAERN CC[C@@H](C)[C@@H]1CNc2ccc(C)cc21 ZINC000233848612 344705425 /nfs/dbraw/zinc/70/54/25/344705425.db2.gz BQACKNFLYJOTQL-PWSUYJOCSA-N 0 0 189.302 3.550 10 0 AHAERN CC[C@@H](C)c1c[nH]c2c1cccc2C ZINC000233861331 571757461 /nfs/dbraw/zinc/75/74/61/571757461.db2.gz UDHVXODWTFBQDH-SECBINFHSA-N 0 0 187.286 3.990 10 0 AHAERN CC[C@@H](C)c1c[nH]c2c1cccc2F ZINC000233861371 344705486 /nfs/dbraw/zinc/70/54/86/344705486.db2.gz WRNZKQKRCZZELT-MRVPVSSYSA-N 0 0 191.249 3.821 10 0 AHAERN CC[C@@H](C)c1c[nH]c2ccc(C)cc21 ZINC000233861444 571759179 /nfs/dbraw/zinc/75/91/79/571759179.db2.gz IXCGTEUIRCZQSP-SNVBAGLBSA-N 0 0 187.286 3.990 10 0 AHAERN CC[C@@H](C)[C@H]1CNc2ccc(C)cc21 ZINC000233873200 344705484 /nfs/dbraw/zinc/70/54/84/344705484.db2.gz BQACKNFLYJOTQL-ZYHUDNBSSA-N 0 0 189.302 3.550 10 0 AHAERN CC[C@@H](C)[C@@](C)(O)C1=CCCCCC1 ZINC000233879664 344705272 /nfs/dbraw/zinc/70/52/72/344705272.db2.gz YOERYYVHISJQRE-DGCLKSJQSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H](C)[C@](C)(O)C1=CCCCCC1 ZINC000233882397 344705457 /nfs/dbraw/zinc/70/54/57/344705457.db2.gz YOERYYVHISJQRE-YPMHNXCESA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H](C)C(=O)C1(C)CCCCC1 ZINC000233968288 571936219 /nfs/dbraw/zinc/93/62/19/571936219.db2.gz OXZZHYPCJLZQGY-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@](O)(C1=CCCCCC1)C(C)C ZINC000233972195 571943607 /nfs/dbraw/zinc/94/36/07/571943607.db2.gz IYHGJVAKNXGOSQ-CYBMUJFWSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](C)C(=O)C1(C)CCCCC1 ZINC000233979388 571954980 /nfs/dbraw/zinc/95/49/80/571954980.db2.gz OXZZHYPCJLZQGY-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H](C)C[C@@]1(O)CC(C)(C)C[C@@H]1C ZINC000233987098 571973212 /nfs/dbraw/zinc/97/32/12/571973212.db2.gz HZGNTBWXIKGFDH-GMXVVIOVSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@@H](O)C1=CCCCCCC1 ZINC000233988020 571977173 /nfs/dbraw/zinc/97/71/73/571977173.db2.gz PQKFUVKRTVSIMV-WCQYABFASA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H](C)[C@@H]1CCNc2ccccc21 ZINC000233995077 571979744 /nfs/dbraw/zinc/97/97/44/571979744.db2.gz FEKKQIVFXVDSEO-MNOVXSKESA-N 0 0 189.302 3.632 10 0 AHAERN CC[C@H](C)c1cccc2c1CCCN2 ZINC000233998024 571982559 /nfs/dbraw/zinc/98/25/59/571982559.db2.gz CRGNGAZDQGCWFF-JTQLQIEISA-N 0 0 189.302 3.558 10 0 AHAERN CC[C@H](C)C[C@]1(O)CC(C)(C)C[C@@H]1C ZINC000234003216 571986028 /nfs/dbraw/zinc/98/60/28/571986028.db2.gz HZGNTBWXIKGFDH-GVXVVHGQSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)[C@@H]1CNc2c1cccc2C ZINC000234008326 571993057 /nfs/dbraw/zinc/99/30/57/571993057.db2.gz LSNBPASLXQPAPL-SKDRFNHKSA-N 0 0 189.302 3.550 10 0 AHAERN CC[C@H](C)[C@@](C)(O)C1=CCCCCC1 ZINC000234015619 344710268 /nfs/dbraw/zinc/71/02/68/344710268.db2.gz YOERYYVHISJQRE-WCQYABFASA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](C)[C@@H]1CNc2c1cccc2C ZINC000234015871 571998355 /nfs/dbraw/zinc/99/83/55/571998355.db2.gz LSNBPASLXQPAPL-CABZTGNLSA-N 0 0 189.302 3.550 10 0 AHAERN CC[C@H](C)[C@@H]1CNc2ccc(C)cc21 ZINC000234016041 344710136 /nfs/dbraw/zinc/71/01/36/344710136.db2.gz BQACKNFLYJOTQL-JQWIXIFHSA-N 0 0 189.302 3.550 10 0 AHAERN CC[C@H](C)[C@](C)(O)C1=CCCCCC1 ZINC000234017034 344710186 /nfs/dbraw/zinc/71/01/86/344710186.db2.gz YOERYYVHISJQRE-AAEUAGOBSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](C)c1c[nH]c2c1cccc2F ZINC000234024090 344710305 /nfs/dbraw/zinc/71/03/05/344710305.db2.gz WRNZKQKRCZZELT-QMMMGPOBSA-N 0 0 191.249 3.821 10 0 AHAERN CC[C@H](C)c1c[nH]c2ccc(C)cc21 ZINC000234024167 572027999 /nfs/dbraw/zinc/02/79/99/572027999.db2.gz IXCGTEUIRCZQSP-JTQLQIEISA-N 0 0 187.286 3.990 10 0 AHAERN CC[C@@](O)(C1=CCCCCC1)C(C)C ZINC000234087424 572192714 /nfs/dbraw/zinc/19/27/14/572192714.db2.gz IYHGJVAKNXGOSQ-ZDUSSCGKSA-N 0 0 196.334 3.674 10 0 AHAERN C[C@@H]1CCC[C@@](O)(CCC2CC2)CC1 ZINC000235298890 572677314 /nfs/dbraw/zinc/67/73/14/572677314.db2.gz VFSYJWASEPIITI-YPMHNXCESA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@H]1CCC[C@](O)(CCC2CC2)CC1 ZINC000235338990 572758559 /nfs/dbraw/zinc/75/85/59/572758559.db2.gz VFSYJWASEPIITI-DGCLKSJQSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@](O)(CCC1CC1)C1CCCCC1 ZINC000235426222 571903565 /nfs/dbraw/zinc/90/35/65/571903565.db2.gz ITFAJXRRHAZEIG-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H]1CCC[C@@](O)(CCC2CC2)CC1 ZINC000235617076 573561840 /nfs/dbraw/zinc/56/18/40/573561840.db2.gz VFSYJWASEPIITI-AAEUAGOBSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H]1CCC[C@@H](n2cccc2)CC1 ZINC000235621586 573593127 /nfs/dbraw/zinc/59/31/27/573593127.db2.gz LDMGQDQFSHPMSN-NWDGAFQWSA-N 0 0 177.291 3.629 10 0 AHAERN C[C@H]1CCC[C@H](n2cccc2)CC1 ZINC000235625134 573651972 /nfs/dbraw/zinc/65/19/72/573651972.db2.gz LDMGQDQFSHPMSN-RYUDHWBXSA-N 0 0 177.291 3.629 10 0 AHAERN C[C@H]1CCC[C@](O)(CCC2CC2)CC1 ZINC000235627764 573640818 /nfs/dbraw/zinc/64/08/18/573640818.db2.gz VFSYJWASEPIITI-WCQYABFASA-N 0 0 196.334 3.508 10 0 AHAERN C[C@](O)(CCC1CC1)C1CCCCC1 ZINC000235723260 571800538 /nfs/dbraw/zinc/80/05/38/571800538.db2.gz ITFAJXRRHAZEIG-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN Cc1cccc2c1NC[C@@H]2C(C)(C)C ZINC000235765616 344766035 /nfs/dbraw/zinc/76/60/35/344766035.db2.gz VGIMSHAITIEGMQ-NSHDSACASA-N 0 0 189.302 3.550 10 0 AHAERN Cc1cccc2c1NC[C@H]2C(C)(C)C ZINC000235766482 344765950 /nfs/dbraw/zinc/76/59/50/344765950.db2.gz VGIMSHAITIEGMQ-LLVKDONJSA-N 0 0 189.302 3.550 10 0 AHAERN Cc1ccc2c(c1)[C@H](C(C)(C)C)CN2 ZINC000235894294 351817748 /nfs/dbraw/zinc/81/77/48/351817748.db2.gz KLXGSSOZVUESBG-LLVKDONJSA-N 0 0 189.302 3.550 10 0 AHAERN Cc1ccc2c(c1)[C@@H](C(C)(C)C)CN2 ZINC000235894436 351818106 /nfs/dbraw/zinc/81/81/06/351818106.db2.gz KLXGSSOZVUESBG-NSHDSACASA-N 0 0 189.302 3.550 10 0 AHAERN Cc1cccc2c(CC3CCC3)c[nH]c21 ZINC000235921256 572453197 /nfs/dbraw/zinc/45/31/97/572453197.db2.gz JBEXVSKFGVDOOU-UHFFFAOYSA-N 0 0 199.297 3.819 10 0 AHAERN Cc1ccc2[nH]cc(C3CCC3)c2c1 ZINC000235989032 573224526 /nfs/dbraw/zinc/22/45/26/573224526.db2.gz PBWZPKVSMOBXET-UHFFFAOYSA-N 0 0 185.270 3.744 10 0 AHAERN Cc1ccc2[nH]cc(CC3CCC3)c2c1 ZINC000235989059 572568109 /nfs/dbraw/zinc/56/81/09/572568109.db2.gz WXPIMEHDGYKNQK-UHFFFAOYSA-N 0 0 199.297 3.819 10 0 AHAERN C=Cc1cc(Cl)sc1Cl ZINC000236035880 573243205 /nfs/dbraw/zinc/24/32/05/573243205.db2.gz IGXRBBOZBPCXJF-UHFFFAOYSA-N 0 0 179.071 3.698 10 0 AHAERN Clc1cc2c(Cl)cccc2cn1 ZINC000236042272 344771773 /nfs/dbraw/zinc/77/17/73/344771773.db2.gz WZFFBNLWEVTJOD-UHFFFAOYSA-N 0 0 198.052 3.542 10 0 AHAERN Clc1ccc2cnc(Cl)cc2c1 ZINC000236047229 344771697 /nfs/dbraw/zinc/77/16/97/344771697.db2.gz WSZOXHNDDYCRLC-UHFFFAOYSA-N 0 0 198.052 3.542 10 0 AHAERN Clc1cccc2c(C3CC3)c[nH]c21 ZINC000236070644 344772270 /nfs/dbraw/zinc/77/22/70/344772270.db2.gz GIKUQBVZYJSJOZ-UHFFFAOYSA-N 0 0 191.661 3.699 10 0 AHAERN Clc1ccc2[nH]cc(C3CC3)c2c1 ZINC000236075096 344772474 /nfs/dbraw/zinc/77/24/74/344772474.db2.gz SBNYQYALRKREEP-UHFFFAOYSA-N 0 0 191.661 3.699 10 0 AHAERN OC1(C2=CCCCC2)CCCCCC1 ZINC000236478058 344786427 /nfs/dbraw/zinc/78/64/27/344786427.db2.gz CAWXIHKSTAGYTG-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN OC1(C2=CCCCCC2)CCCCC1 ZINC000236478202 573691054 /nfs/dbraw/zinc/69/10/54/573691054.db2.gz FQZLBYFBHCDYDN-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN OC1(C2=CCCCCCC2)CCCC1 ZINC000236478346 573689412 /nfs/dbraw/zinc/68/94/12/573689412.db2.gz LRJDINUCFHSLLZ-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN C/C=C(/C)Cc1c[nH]c2ccccc12 ZINC000237977566 573691153 /nfs/dbraw/zinc/69/11/53/573691153.db2.gz GFSKKEAJWFXNSQ-KMKOMSMNSA-N 0 0 185.270 3.677 10 0 AHAERN C/C=C(/C)[C@@H](O)C(C)=C1CCCCC1 ZINC000237978860 573692675 /nfs/dbraw/zinc/69/26/75/573692675.db2.gz UGHSSXSTUKQCHB-JTMRULEUSA-N 0 0 194.318 3.594 10 0 AHAERN C/C=C/C(C)(C)CNc1ccccc1 ZINC000237995803 573702717 /nfs/dbraw/zinc/70/27/17/573702717.db2.gz NPEPLUXBLRNIKQ-ONNFQVAWSA-N 0 0 189.302 3.701 10 0 AHAERN C/C=C/C/C=C(\C)C/C(C)=C/CCO ZINC000237996947 572917301 /nfs/dbraw/zinc/91/73/01/572917301.db2.gz ZTDOGQJLQJESNK-KDSKPFEXSA-N 0 0 194.318 3.618 10 0 AHAERN C/C=C/C=C/CCCC/C=C(/C)CO ZINC000238001186 572912800 /nfs/dbraw/zinc/91/28/00/572912800.db2.gz YRNFWHQPIJRISK-NOWMBVMYSA-N 0 0 194.318 3.618 10 0 AHAERN c1c[nH]c([C@@H]2CC=Cc3ccccc32)c1 ZINC000238005553 572912515 /nfs/dbraw/zinc/91/25/15/572912515.db2.gz HDCKXOJEDDREKT-CYBMUJFWSA-N 0 0 195.265 3.564 10 0 AHAERN c1c[nH]c([C@H]2CC=Cc3ccccc32)c1 ZINC000238005581 572913237 /nfs/dbraw/zinc/91/32/37/572913237.db2.gz HDCKXOJEDDREKT-ZDUSSCGKSA-N 0 0 195.265 3.564 10 0 AHAERN c1ccc(NC2=CCCCCC2)cc1 ZINC000238012907 573704455 /nfs/dbraw/zinc/70/44/55/573704455.db2.gz ZZZADEVABDWDKC-UHFFFAOYSA-N 0 0 187.286 3.947 10 0 AHAERN C1=C(OC2CCCC2)CCCCC1 ZINC000238013038 573704795 /nfs/dbraw/zinc/70/47/95/573704795.db2.gz UMIDENFVHOCZGU-UHFFFAOYSA-N 0 0 180.291 3.794 10 0 AHAERN C/C=C/C[C@@H](C)c1cccs1 ZINC000238016425 573704011 /nfs/dbraw/zinc/70/40/11/573704011.db2.gz ONNBWGVASPXZSG-CDAZIORVSA-N 0 0 166.289 3.818 10 0 AHAERN C/C=C/[C@@H](C)Nc1ccc(Cl)cc1 ZINC000238026056 344791648 /nfs/dbraw/zinc/79/16/48/344791648.db2.gz BZGQXHPWQJSDLU-CDAZIORVSA-N 0 0 195.693 3.717 10 0 AHAERN C/C=C/[C@@H](C)c1cc(Cl)ccc1N ZINC000238028015 573719608 /nfs/dbraw/zinc/71/96/08/573719608.db2.gz LVOBVSDVENZTOZ-MPJRPATESA-N 0 0 195.693 3.602 10 0 AHAERN C/C(=C\Cl)CCc1ccccc1 ZINC000238040840 572916808 /nfs/dbraw/zinc/91/68/08/572916808.db2.gz YSECSBIVZPZKNV-MDZDMXLPSA-N 0 0 180.678 3.762 10 0 AHAERN C/C=C/[C@H](C)Nc1ccc(Cl)cc1 ZINC000238049752 344792112 /nfs/dbraw/zinc/79/21/12/344792112.db2.gz BZGQXHPWQJSDLU-NWALNABHSA-N 0 0 195.693 3.717 10 0 AHAERN C/C=C/[C@H](C)[C@@H](O)CC1CCCCC1 ZINC000238050395 572918270 /nfs/dbraw/zinc/91/82/70/572918270.db2.gz RLMABGGGTDEACO-TWICZNDLSA-N 0 0 196.334 3.530 10 0 AHAERN C/C=C/[C@H](C)c1cc(Cl)ccc1N ZINC000238051708 573733959 /nfs/dbraw/zinc/73/39/59/573733959.db2.gz LVOBVSDVENZTOZ-RTMURIBGSA-N 0 0 195.693 3.602 10 0 AHAERN c1ccc2cc(OC3CCC3)ccc2c1 ZINC000238054580 572920035 /nfs/dbraw/zinc/92/00/35/572920035.db2.gz YQHPFCFKSWCQTI-UHFFFAOYSA-N 0 0 198.265 3.771 10 0 AHAERN C/C=C/[C@H](O)C[C@@H]1CCCC(C)(C)C1 ZINC000238056421 573725629 /nfs/dbraw/zinc/72/56/29/573725629.db2.gz UKRBPUTWNUFECS-JZYUNNQISA-N 0 0 196.334 3.530 10 0 AHAERN C/C=C/[C@H](O)C[C@H](C)/C=C/CC(C)C ZINC000238056511 572918124 /nfs/dbraw/zinc/91/81/24/572918124.db2.gz DHGIPMFFMSLNHX-UGPRKQJRSA-N 0 0 196.334 3.552 10 0 AHAERN C/C=C/[C@H](O)C[C@H]1CCCC(C)(C)C1 ZINC000238056634 573726971 /nfs/dbraw/zinc/72/69/71/573726971.db2.gz UKRBPUTWNUFECS-XCOQAZTISA-N 0 0 196.334 3.530 10 0 AHAERN C/C=C(/C)C1=Cc2ccccc2N[C@@H]1C ZINC000238059657 572919634 /nfs/dbraw/zinc/91/96/34/572919634.db2.gz XEZVMMQAAYGGJM-NEOSZVFXSA-N 0 0 199.297 3.850 10 0 AHAERN C/C=C(/C)C1=Cc2ccccc2N[C@H]1C ZINC000238059685 572918807 /nfs/dbraw/zinc/91/88/07/572918807.db2.gz XEZVMMQAAYGGJM-FGUAACIASA-N 0 0 199.297 3.850 10 0 AHAERN C/C=C(/C)C=C1CCCCC1 ZINC000238059729 573729020 /nfs/dbraw/zinc/72/90/20/573729020.db2.gz UMPAONGTZQUEMZ-KMKOMSMNSA-N 0 0 150.265 3.843 10 0 AHAERN C/C=C(/C)CC[C@@H](O)C1CCCCC1 ZINC000238060130 572919989 /nfs/dbraw/zinc/91/99/89/572919989.db2.gz AFVLBLFSJKFAKS-BXVXIVLCSA-N 0 0 196.334 3.674 10 0 AHAERN C/C=C(/C)CC[C@H](O)C1CCCCC1 ZINC000238060384 572920065 /nfs/dbraw/zinc/92/00/65/572920065.db2.gz AFVLBLFSJKFAKS-WVVNNJFASA-N 0 0 196.334 3.674 10 0 AHAERN c1c2cccnc2[nH]c1C1=CCCCC1 ZINC000238062077 572919285 /nfs/dbraw/zinc/91/92/85/572919285.db2.gz OVLFPXJXIKHXIK-UHFFFAOYSA-N 0 0 198.269 3.520 10 0 AHAERN c1ccc2c(c1)cccc2COC1CC1 ZINC000238092336 572928931 /nfs/dbraw/zinc/92/89/31/572928931.db2.gz CJZMSSLZUVYEJT-UHFFFAOYSA-N 0 0 198.265 3.519 10 0 AHAERN c1ccc2cc(COC3CC3)ccc2c1 ZINC000238092516 572928555 /nfs/dbraw/zinc/92/85/55/572928555.db2.gz DXNDCHKNTAQHQU-UHFFFAOYSA-N 0 0 198.265 3.519 10 0 AHAERN c1cc2c(cccc2C2CC2)s1 ZINC000238096218 573769957 /nfs/dbraw/zinc/76/99/57/573769957.db2.gz QCTBRHRXTFRVKE-UHFFFAOYSA-N 0 0 174.268 3.779 10 0 AHAERN CC(C)(C)[C@@H]1CC=C(OC2CC2)CC1 ZINC000238101392 573775064 /nfs/dbraw/zinc/77/50/64/573775064.db2.gz UHWYIEYPFRMFGV-SNVBAGLBSA-N 0 0 194.318 3.896 10 0 AHAERN CC(C)=C(C)CCc1ccccc1O ZINC000238111420 573783050 /nfs/dbraw/zinc/78/30/50/573783050.db2.gz LJJNDRSNMPRNJP-UHFFFAOYSA-N 0 0 190.286 3.681 10 0 AHAERN CC(C)=C(C)Cc1ccc(C)cc1O ZINC000238112297 573785646 /nfs/dbraw/zinc/78/56/46/573785646.db2.gz VOXAYMRLZVFKPM-UHFFFAOYSA-N 0 0 190.286 3.599 10 0 AHAERN CC(C)=C(c1ccc(O)cc1)C1CC1 ZINC000238113223 573788763 /nfs/dbraw/zinc/78/87/63/573788763.db2.gz IMBQXLPHHBFOTQ-UHFFFAOYSA-N 0 0 188.270 3.596 10 0 AHAERN CC(C)CC[C@@H](C)c1ccc(N)cc1 ZINC000238113592 572937696 /nfs/dbraw/zinc/93/76/96/572937696.db2.gz CYVMHEJSWHOBFO-LLVKDONJSA-N 0 0 191.318 3.809 10 0 AHAERN CC(C)(C)/C=C/CCCCCCO ZINC000238114800 572937404 /nfs/dbraw/zinc/93/74/04/572937404.db2.gz HGXCOAYFFUMXIT-CSKARUKUSA-N 0 0 184.323 3.532 10 0 AHAERN CC(C)=C1CC(C)(C)/C1=C/Cl ZINC000238117117 573790786 /nfs/dbraw/zinc/79/07/86/573790786.db2.gz OOZRSIJKUDNDBB-RMKNXTFCSA-N 0 0 170.683 3.875 10 0 AHAERN c1cc2c3c4c(ccc3c1)CCC[C@@H]4N2 ZINC000238117934 572936033 /nfs/dbraw/zinc/93/60/33/572936033.db2.gz ZAYTWKNPPUQIJW-LBPRGKRZSA-N 0 0 195.265 3.643 10 0 AHAERN CC(C)CC[C@H](C)c1ccc(N)cc1 ZINC000238122247 572934686 /nfs/dbraw/zinc/93/46/86/572934686.db2.gz CYVMHEJSWHOBFO-NSHDSACASA-N 0 0 191.318 3.809 10 0 AHAERN c1cc2c3c4c(ccc3c1)CCC[C@H]4N2 ZINC000238123200 572936386 /nfs/dbraw/zinc/93/63/86/572936386.db2.gz ZAYTWKNPPUQIJW-GFCCVEGCSA-N 0 0 195.265 3.643 10 0 AHAERN CC(C)CC(C)(C)c1ccc(N)cc1 ZINC000238126897 573797445 /nfs/dbraw/zinc/79/74/45/573797445.db2.gz OQRURXCOJSBMTC-UHFFFAOYSA-N 0 0 191.318 3.593 10 0 AHAERN CC(C)CC(C)(C)c1ccccc1O ZINC000238126979 573800948 /nfs/dbraw/zinc/80/09/48/573800948.db2.gz QNRXUEGXTFBHLA-UHFFFAOYSA-N 0 0 192.302 3.716 10 0 AHAERN CC(C)=C1CC=C(OC2CC2)CC1 ZINC000238128244 573803492 /nfs/dbraw/zinc/80/34/92/573803492.db2.gz YAZJRJLXBIVPLM-UHFFFAOYSA-N 0 0 178.275 3.570 10 0 AHAERN CC(C)=C1CC=C(OC2CCC2)CC1 ZINC000238128285 573806578 /nfs/dbraw/zinc/80/65/78/573806578.db2.gz PBKKFRFXVPHGBD-UHFFFAOYSA-N 0 0 192.302 3.960 10 0 AHAERN CC(C)(C)C(C)(C)/C=C/Cl ZINC000238134805 573821660 /nfs/dbraw/zinc/82/16/60/573821660.db2.gz NBTKBCRBQUAMBX-VOTSOKGWSA-N 0 0 160.688 3.811 10 0 AHAERN CC(C)(C)C(C)(C)c1ccc(N)cc1 ZINC000238134865 573821609 /nfs/dbraw/zinc/82/16/09/573821609.db2.gz HNBUGUDOXPRUSL-UHFFFAOYSA-N 0 0 191.318 3.593 10 0 AHAERN CC(C)(C)C(C)(C)c1ccccc1N ZINC000238134906 573817914 /nfs/dbraw/zinc/81/79/14/573817914.db2.gz DEWBLCTZBVJKNZ-UHFFFAOYSA-N 0 0 191.318 3.593 10 0 AHAERN CC(C)(C)c1ccc(-c2ccccc2)[nH]1 ZINC000238138783 572940149 /nfs/dbraw/zinc/94/01/49/572940149.db2.gz WBAFCDQXEOXSIU-UHFFFAOYSA-N 0 0 199.297 3.979 10 0 AHAERN CC(C)=C/C(C)=C/CC/C(C)=C/CO ZINC000238138805 572940199 /nfs/dbraw/zinc/94/01/99/572940199.db2.gz LBGMRLQKBJDKGR-SWZPTJTJSA-N 0 0 194.318 3.618 10 0 AHAERN C/C(=C\CCCO)CCCC(C)C ZINC000238138981 572939872 /nfs/dbraw/zinc/93/98/72/572939872.db2.gz CZTYEAQIEMUWPA-XYOKQWHBSA-N 0 0 184.323 3.532 10 0 AHAERN CC(C)CCCC1CCC(CO)CC1 ZINC000238139226 572940388 /nfs/dbraw/zinc/94/03/88/572940388.db2.gz QAGJBCOCWBTXOJ-UHFFFAOYSA-N 0 0 198.350 3.611 10 0 AHAERN C=Cn1ccc2ccc3ccccc3c21 ZINC000238139947 572941485 /nfs/dbraw/zinc/94/14/85/572941485.db2.gz BAJYVGFGEWIXIG-UHFFFAOYSA-N 0 0 193.249 3.895 10 0 AHAERN CC(C)=CC/C(C)=C/Br ZINC000238141349 573836497 /nfs/dbraw/zinc/83/64/97/573836497.db2.gz LDFDZZJMSUFSNM-SOFGYWHQSA-N 0 0 189.096 3.641 10 0 AHAERN CC(C)=CC/C(C)=C/C/C(C)=C/CO ZINC000238141391 572940069 /nfs/dbraw/zinc/94/00/69/572940069.db2.gz ATAZISZNUHGNKG-QYFNTBEASA-N 0 0 194.318 3.618 10 0 AHAERN CC(C)=CCC/C(C)=C/C=C(\C)CO ZINC000238143656 572951189 /nfs/dbraw/zinc/95/11/89/572951189.db2.gz DCHQECAHSIWWRO-QHKWOANTSA-N 0 0 194.318 3.618 10 0 AHAERN CC(C)=CCCCCCCCCO ZINC000238144571 572953023 /nfs/dbraw/zinc/95/30/23/572953023.db2.gz HPXRUXIQUGFTQH-UHFFFAOYSA-N 0 0 184.323 3.676 10 0 AHAERN CC(C)=CCCCc1cccc(O)c1 ZINC000238145355 572954723 /nfs/dbraw/zinc/95/47/23/572954723.db2.gz NTDNNEDELAQKOH-UHFFFAOYSA-N 0 0 190.286 3.681 10 0 AHAERN CC(C)(C)CC1(C)CCC(=O)CC1 ZINC000238146311 573829596 /nfs/dbraw/zinc/82/95/96/573829596.db2.gz COLFAFZRPGIPCA-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)=CCC[C@@H](O)C1=C(C)CCC1 ZINC000238146530 572954348 /nfs/dbraw/zinc/95/43/48/572954348.db2.gz BSKOLACZFNHKCP-CYBMUJFWSA-N 0 0 194.318 3.594 10 0 AHAERN CC(C)(C)CCCNc1ccccc1 ZINC000238147263 572954923 /nfs/dbraw/zinc/95/49/23/572954923.db2.gz YXDRVLLTSZDYFV-UHFFFAOYSA-N 0 0 191.318 3.925 10 0 AHAERN CC(C)CCC[C@H]1CC=C(CO)CC1 ZINC000238147893 572955069 /nfs/dbraw/zinc/95/50/69/572955069.db2.gz INAZGJOCGKETOS-LBPRGKRZSA-N 0 0 196.334 3.532 10 0 AHAERN CC(C)CCC[C@@H]1CC[C@@H](O)[C@@H](C)C1 ZINC000238147928 572954920 /nfs/dbraw/zinc/95/49/20/572954920.db2.gz JJFSASAQURQEDZ-YNEHKIRRSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CCC[C@@H]1CC[C@H](O)[C@@H](C)C1 ZINC000238147951 572954148 /nfs/dbraw/zinc/95/41/48/572954148.db2.gz JJFSASAQURQEDZ-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)=CCC[C@@]1(C)CCC[C@@H](O)C1 ZINC000238148429 573832328 /nfs/dbraw/zinc/83/23/28/573832328.db2.gz AFEXGSJQUYVXOP-OLZOCXBDSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)=CCC[C@@]1(C)CCC[C@H](O)C1 ZINC000238148457 573832726 /nfs/dbraw/zinc/83/27/26/573832726.db2.gz AFEXGSJQUYVXOP-STQMWFEESA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)=CCC[C@H](O)C1=C(C)CCC1 ZINC000238149022 572954222 /nfs/dbraw/zinc/95/42/22/572954222.db2.gz BSKOLACZFNHKCP-ZDUSSCGKSA-N 0 0 194.318 3.594 10 0 AHAERN CC(C)(C)CCc1ccc(C=O)s1 ZINC000238149920 572956336 /nfs/dbraw/zinc/95/63/36/572956336.db2.gz VCPRIWSVPIRIBN-UHFFFAOYSA-N 0 0 196.315 3.539 10 0 AHAERN CC(C)=CCC[C@]1(C)CCC[C@@H](O)C1 ZINC000238150496 573848109 /nfs/dbraw/zinc/84/81/09/573848109.db2.gz AFEXGSJQUYVXOP-CHWSQXEVSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)=CCC[C@]1(C)CCC[C@H](O)C1 ZINC000238150517 573847862 /nfs/dbraw/zinc/84/78/62/573847862.db2.gz AFEXGSJQUYVXOP-QWHCGFSZSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)CCC[C@@H]1CC=C(CO)CC1 ZINC000238150867 572955302 /nfs/dbraw/zinc/95/53/02/572955302.db2.gz INAZGJOCGKETOS-GFCCVEGCSA-N 0 0 196.334 3.532 10 0 AHAERN Cc1ccc(O)c(CCCC(C)C)c1 ZINC000238151729 572953958 /nfs/dbraw/zinc/95/39/58/572953958.db2.gz SSDNOCCWOSTRBN-UHFFFAOYSA-N 0 0 192.302 3.679 10 0 AHAERN Cc1ccc(CCCC(C)C)c(O)c1 ZINC000238151852 572956093 /nfs/dbraw/zinc/95/60/93/572956093.db2.gz XXFSJDDSXBEFSN-UHFFFAOYSA-N 0 0 192.302 3.679 10 0 AHAERN Cc1cc(CCCC(C)C)ccc1O ZINC000238151932 572954866 /nfs/dbraw/zinc/95/48/66/572954866.db2.gz KXPSEENULFXJRA-UHFFFAOYSA-N 0 0 192.302 3.679 10 0 AHAERN Cc1cc(O)ccc1CCCC(C)C ZINC000238151974 572957754 /nfs/dbraw/zinc/95/77/54/572957754.db2.gz ONUUUZRJBUKGIA-UHFFFAOYSA-N 0 0 192.302 3.679 10 0 AHAERN Cc1cccc(CCCC(C)C)c1O ZINC000238152018 572957113 /nfs/dbraw/zinc/95/71/13/572957113.db2.gz MVPSRDCSNMMUIK-UHFFFAOYSA-N 0 0 192.302 3.679 10 0 AHAERN CC(C)=CC[C@@H]1CCCCCC[C@@H]1O ZINC000238155173 573835274 /nfs/dbraw/zinc/83/52/74/573835274.db2.gz ONOVXGNVLJMZSQ-STQMWFEESA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)=CC[C@@H]1CCCCCC[C@H]1O ZINC000238155198 573833973 /nfs/dbraw/zinc/83/39/73/573833973.db2.gz ONOVXGNVLJMZSQ-QWHCGFSZSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@@H]1c2ccccc2N[C@@H]1C ZINC000238157183 573840428 /nfs/dbraw/zinc/84/04/28/573840428.db2.gz IKPSZPMEWIHJDB-PWSUYJOCSA-N 0 0 189.302 3.630 10 0 AHAERN CC(C)=CC[C@H]1CCCCCC[C@@H]1O ZINC000238157533 573842706 /nfs/dbraw/zinc/84/27/06/573842706.db2.gz ONOVXGNVLJMZSQ-OLZOCXBDSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)=CC[C@H]1CCCCCC[C@H]1O ZINC000238157548 573840216 /nfs/dbraw/zinc/84/02/16/573840216.db2.gz ONOVXGNVLJMZSQ-CHWSQXEVSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@@H]1c2ccccc2N[C@H]1C ZINC000238157902 573840451 /nfs/dbraw/zinc/84/04/51/573840451.db2.gz IKPSZPMEWIHJDB-JQWIXIFHSA-N 0 0 189.302 3.630 10 0 AHAERN CC(C)=CC/C=C/CC/C(C)=C/CO ZINC000238158692 572958702 /nfs/dbraw/zinc/95/87/02/572958702.db2.gz VBUPGFQQKAGQLA-VBJRVQAISA-N 0 0 194.318 3.618 10 0 AHAERN CC(C)=CCc1cc(C)cc(C)c1O ZINC000238159029 573842716 /nfs/dbraw/zinc/84/27/16/573842716.db2.gz FPNBIWMTTKRWLK-UHFFFAOYSA-N 0 0 190.286 3.518 10 0 AHAERN C=Cc1cccc(CC=C(C)C)c1O ZINC000238159664 573847070 /nfs/dbraw/zinc/84/70/70/573847070.db2.gz KKOXVVGSNLCGFP-UHFFFAOYSA-N 0 0 188.270 3.544 10 0 AHAERN CC(C)(C)[C@H]1CC=C(OC2CC2)CC1 ZINC000238160184 573846312 /nfs/dbraw/zinc/84/63/12/573846312.db2.gz UHWYIEYPFRMFGV-JTQLQIEISA-N 0 0 194.318 3.896 10 0 AHAERN CC(C)C[C@H]1c2ccccc2N[C@@H]1C ZINC000238163461 573871135 /nfs/dbraw/zinc/87/11/35/573871135.db2.gz IKPSZPMEWIHJDB-ZYHUDNBSSA-N 0 0 189.302 3.630 10 0 AHAERN C=C=C(C)c1c(C)cc(C)c(O)c1C ZINC000238163923 573871447 /nfs/dbraw/zinc/87/14/47/573871447.db2.gz UQSHNFJPBUNWRO-UHFFFAOYSA-N 0 0 188.270 3.506 10 0 AHAERN CC(C)C[C@H]1c2ccccc2N[C@H]1C ZINC000238164098 573875959 /nfs/dbraw/zinc/87/59/59/573875959.db2.gz IKPSZPMEWIHJDB-CMPLNLGQSA-N 0 0 189.302 3.630 10 0 AHAERN C=C(Cl)c1ccccc1NC(C)C ZINC000238164580 573874408 /nfs/dbraw/zinc/87/44/08/573874408.db2.gz VKYSRKTUBBYFRB-UHFFFAOYSA-N 0 0 195.693 3.716 10 0 AHAERN CC(=S)Nc1ccccc1C(C)C ZINC000238167947 573860544 /nfs/dbraw/zinc/86/05/44/573860544.db2.gz BMRIHRMNSZHBBR-UHFFFAOYSA-N 0 0 193.315 3.569 10 0 AHAERN CC(C)c1ccccc1OC1CCC1 ZINC000238168832 573858737 /nfs/dbraw/zinc/85/87/37/573858737.db2.gz MBTPJISXTWZTIS-UHFFFAOYSA-N 0 0 190.286 3.741 10 0 AHAERN CC(C)Cc1cc[nH]c1-c1ccccc1 ZINC000238171450 572964828 /nfs/dbraw/zinc/96/48/28/572964828.db2.gz DAKICDZAAKLLNS-UHFFFAOYSA-N 0 0 199.297 3.880 10 0 AHAERN CC(C)c1cnc(Cl)cc1Cl ZINC000238173856 573898211 /nfs/dbraw/zinc/89/82/11/573898211.db2.gz IHTRMUMBLQKTGV-UHFFFAOYSA-N 0 0 190.073 3.512 10 0 AHAERN CC1(C)C=Cc2ccc(Cl)cc2N1 ZINC000238173899 573897564 /nfs/dbraw/zinc/89/75/64/573897564.db2.gz JRGSVNFRLNZTKZ-UHFFFAOYSA-N 0 0 193.677 3.557 10 0 AHAERN CC1(C)Nc2cc(Cl)ccc2S1 ZINC000238173964 573895994 /nfs/dbraw/zinc/89/59/94/573895994.db2.gz VXUHFKUBLFPDCA-UHFFFAOYSA-N 0 0 199.706 3.594 10 0 AHAERN CC(C)Cc1cccc(C(C)C)c1N ZINC000238174103 573897651 /nfs/dbraw/zinc/89/76/51/573897651.db2.gz BIQRUVWIRBUKEL-UHFFFAOYSA-N 0 0 191.318 3.591 10 0 AHAERN CC1(C)Nc2ccc(Cl)cc2S1 ZINC000238174110 573895781 /nfs/dbraw/zinc/89/57/81/573895781.db2.gz AVZOZFYVIGQZFK-UHFFFAOYSA-N 0 0 199.706 3.594 10 0 AHAERN CC(C)=Cc1cc2ccccc2cc1O ZINC000238174972 572967614 /nfs/dbraw/zinc/96/76/14/572967614.db2.gz UNDMHBAUYTVAAI-UHFFFAOYSA-N 0 0 198.265 3.969 10 0 AHAERN CC(C)c1ccc2[nH]c3c(c2c1)CCC3 ZINC000238176410 572968557 /nfs/dbraw/zinc/96/85/57/572968557.db2.gz SMGZPGVELIATLR-UHFFFAOYSA-N 0 0 199.297 3.780 10 0 AHAERN C/C(=C\Cl)C1CCC(C)CC1 ZINC000238177500 573881242 /nfs/dbraw/zinc/88/12/42/573881242.db2.gz NKJRSEQSTXHSSF-VQHVLOKHSA-N 0 0 172.699 3.955 10 0 AHAERN CC1CCC(C)(/C=C/Cl)CC1 ZINC000238177674 573883256 /nfs/dbraw/zinc/88/32/56/573883256.db2.gz FBQGZPJOTARQAH-BQYQJAHWSA-N 0 0 172.699 3.955 10 0 AHAERN CC1CCC(/C=C/Cl)CC1 ZINC000238179876 573886356 /nfs/dbraw/zinc/88/63/56/573886356.db2.gz AVRSIKVWKPWMDK-VOTSOKGWSA-N 0 0 158.672 3.565 10 0 AHAERN CC(C)C[C@H](C)c1ccccc1O ZINC000238180074 573888901 /nfs/dbraw/zinc/88/89/01/573888901.db2.gz YCXOSGXGHVLMHL-JTQLQIEISA-N 0 0 178.275 3.542 10 0 AHAERN CC(C)Cc1cc(N)c2ccccc2c1 ZINC000238182583 572970253 /nfs/dbraw/zinc/97/02/53/572970253.db2.gz LEDBKRSFOPAMIH-UHFFFAOYSA-N 0 0 199.297 3.621 10 0 AHAERN CC(C)=C(c1ccccc1O)C(C)C ZINC000238183307 573910439 /nfs/dbraw/zinc/91/04/39/573910439.db2.gz XKNPBNZOXHLHNJ-UHFFFAOYSA-N 0 0 190.286 3.842 10 0 AHAERN CC(C)=C1CC=C(OC(C)C)CC1 ZINC000238186185 573922031 /nfs/dbraw/zinc/92/20/31/573922031.db2.gz BRVRSOQCSHAEJU-UHFFFAOYSA-N 0 0 180.291 3.816 10 0 AHAERN CC(C)OC1=CCC(C)(C)CC1 ZINC000238186212 573918620 /nfs/dbraw/zinc/91/86/20/573918620.db2.gz OLWAHCACURPFRQ-UHFFFAOYSA-N 0 0 168.280 3.505 10 0 AHAERN CCCCC/C(Cl)=C/Cl ZINC000238187042 573920425 /nfs/dbraw/zinc/92/04/25/573920425.db2.gz DMMYAQDFTWYBFD-SREVYHEPSA-N 0 0 167.079 3.886 10 0 AHAERN CCC/C(C)=C/CC/C(=C/CO)CC ZINC000238187835 572976272 /nfs/dbraw/zinc/97/62/72/572976272.db2.gz XMTXUZVOICZEGM-SDCOAONHSA-N 0 0 196.334 3.842 10 0 AHAERN CCC/C(C)=C/CC[C@@H](C)CCO ZINC000238187946 572975513 /nfs/dbraw/zinc/97/55/13/572975513.db2.gz ROIWGWRTHJOPRG-YTRUQHMWSA-N 0 0 184.323 3.532 10 0 AHAERN CCC/C(C)=C/CC[C@H](C)CCO ZINC000238187955 572975429 /nfs/dbraw/zinc/97/54/29/572975429.db2.gz ROIWGWRTHJOPRG-VNKGSWCUSA-N 0 0 184.323 3.532 10 0 AHAERN C=C/C(=C/Br)CCCC ZINC000238188774 572977923 /nfs/dbraw/zinc/97/79/23/572977923.db2.gz CFJDATHLKWAONC-FPLPWBNLSA-N 0 0 189.096 3.641 10 0 AHAERN CCCC/C=C(/CCO)CCCC ZINC000238189697 572977320 /nfs/dbraw/zinc/97/73/20/572977320.db2.gz KBDYOIFYLFTPJE-FMIVXFBMSA-N 0 0 184.323 3.676 10 0 AHAERN CCCC/C=C(/F)[C@@H](O)CCCC ZINC000238189905 572977172 /nfs/dbraw/zinc/97/71/72/572977172.db2.gz LHVUEJGJEBFRMS-UQSGXBNBSA-N 0 0 188.286 3.581 10 0 AHAERN CCCC/C=C(/F)[C@H](O)CCCC ZINC000238189922 572978278 /nfs/dbraw/zinc/97/82/78/572978278.db2.gz LHVUEJGJEBFRMS-RJCSOLBVSA-N 0 0 188.286 3.581 10 0 AHAERN CCCC/C=C/C=C/[C@@H](O)CCCC ZINC000238190830 572977070 /nfs/dbraw/zinc/97/70/70/572977070.db2.gz LGCIYACAFRWKHR-OIQGXTPOSA-N 0 0 196.334 3.840 10 0 AHAERN CCCC/C=C/CC/C=C/C[C@H](C)O ZINC000238190964 572977405 /nfs/dbraw/zinc/97/74/05/572977405.db2.gz UUYHHNSLXCOSPB-XAXKVJQESA-N 0 0 196.334 3.840 10 0 AHAERN CCCCCC=C=C(CO)CCCC ZINC000238191522 572979517 /nfs/dbraw/zinc/97/95/17/572979517.db2.gz DAPLVEIHNKYBRX-UHFFFAOYSA-N 0 0 196.334 3.831 10 0 AHAERN CCCCCC=C=C1CCCC[C@@H]1O ZINC000238191550 572979382 /nfs/dbraw/zinc/97/93/82/572979382.db2.gz IYFLIWCKJVWODW-NCWAPJAISA-N 0 0 194.318 3.583 10 0 AHAERN CCCCCC=C=C1CCCC[C@H]1O ZINC000238191568 572979412 /nfs/dbraw/zinc/97/94/12/572979412.db2.gz IYFLIWCKJVWODW-WCRCJTMVSA-N 0 0 194.318 3.583 10 0 AHAERN CCCCCC=C=CC[C@@H](O)CCC ZINC000238191766 572978776 /nfs/dbraw/zinc/97/87/76/572978776.db2.gz RKPVSEMACCBPOF-NCWAPJAISA-N 0 0 196.334 3.829 10 0 AHAERN CCCCCC=C=CC[C@H](O)CCC ZINC000238191804 572979793 /nfs/dbraw/zinc/97/97/93/572979793.db2.gz RKPVSEMACCBPOF-WCRCJTMVSA-N 0 0 196.334 3.829 10 0 AHAERN CCC1(CC)CCNc2ccccc21 ZINC000238192531 573903996 /nfs/dbraw/zinc/90/39/96/573903996.db2.gz UNVGWLLIKCPDHC-UHFFFAOYSA-N 0 0 189.302 3.560 10 0 AHAERN CCC(CC)c1ccc(O)cc1C ZINC000238194091 573907252 /nfs/dbraw/zinc/90/72/52/573907252.db2.gz CLBOKIMFJXOBNP-UHFFFAOYSA-N 0 0 178.275 3.604 10 0 AHAERN CCC(=O)CC(CC)(CC)CC ZINC000238194685 572978682 /nfs/dbraw/zinc/97/86/82/572978682.db2.gz QQXNBQOOXJGNAZ-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN C=C=C(CCCCCC)[C@@H](O)C(C)C ZINC000238195089 572978947 /nfs/dbraw/zinc/97/89/47/572978947.db2.gz YYPCTQXIQFAOST-ZDUSSCGKSA-N 0 0 196.334 3.685 10 0 AHAERN C=C=C(CCCCCC)[C@H](O)C(C)C ZINC000238195118 572979418 /nfs/dbraw/zinc/97/94/18/572979418.db2.gz YYPCTQXIQFAOST-CYBMUJFWSA-N 0 0 196.334 3.685 10 0 AHAERN CCC(C)(C)c1cc(C)c(C)cc1O ZINC000238195676 573907629 /nfs/dbraw/zinc/90/76/29/573907629.db2.gz INIQZYRSINSISJ-UHFFFAOYSA-N 0 0 192.302 3.697 10 0 AHAERN CCC(C)(C)c1cc(C)c(N)c(C)c1 ZINC000238195707 573908061 /nfs/dbraw/zinc/90/80/61/573908061.db2.gz URDIGFCVEYPALO-UHFFFAOYSA-N 0 0 191.318 3.573 10 0 AHAERN CCC1(CC)c2ccccc2N[C@@H]1C ZINC000238195744 573909369 /nfs/dbraw/zinc/90/93/69/573909369.db2.gz JMCJRQMXVJVTBL-SNVBAGLBSA-N 0 0 189.302 3.558 10 0 AHAERN CCC1(CC)c2ccccc2N[C@H]1C ZINC000238195971 573932093 /nfs/dbraw/zinc/93/20/93/573932093.db2.gz JMCJRQMXVJVTBL-JTQLQIEISA-N 0 0 189.302 3.558 10 0 AHAERN CCC(C)(C)c1ccc(Cl)c(N)c1 ZINC000238196206 573933447 /nfs/dbraw/zinc/93/34/47/573933447.db2.gz SGIDKPSJRKECPX-UHFFFAOYSA-N 0 0 197.709 3.610 10 0 AHAERN CC1=C(C)[C@@H]2CC(C)=C(C)C[C@@H]12 ZINC000238197325 573936519 /nfs/dbraw/zinc/93/65/19/573936519.db2.gz ZPMICGYRHAYQRE-RYUDHWBXSA-N 0 0 162.276 3.699 10 0 AHAERN CCCC1(CCC)CCCC[C@@H]1O ZINC000238197424 572326190 /nfs/dbraw/zinc/32/61/90/572326190.db2.gz PPKCQDGQVQXXMC-NSHDSACASA-N 0 0 184.323 3.508 10 0 AHAERN CCCC1(CCC)CCCC[C@H]1O ZINC000238197441 572327751 /nfs/dbraw/zinc/32/77/51/572327751.db2.gz PPKCQDGQVQXXMC-LLVKDONJSA-N 0 0 184.323 3.508 10 0 AHAERN CC1CCC(=COC2CCC2)CC1 ZINC000238197582 573937948 /nfs/dbraw/zinc/93/79/48/573937948.db2.gz BTSAMNZMIBPACY-UHFFFAOYSA-N 0 0 180.291 3.650 10 0 AHAERN CCC1(c2ccc(O)cc2)CCCC1 ZINC000238198667 573930469 /nfs/dbraw/zinc/93/04/69/573930469.db2.gz XRWFSBVVFZAFRQ-UHFFFAOYSA-N 0 0 190.286 3.614 10 0 AHAERN CC1=C(C)[C@H]2CC(C)=C(C)C[C@H]12 ZINC000238198953 573929140 /nfs/dbraw/zinc/92/91/40/573929140.db2.gz ZPMICGYRHAYQRE-VXGBXAGGSA-N 0 0 162.276 3.699 10 0 AHAERN CCC(C)(CC)c1cc(C)ccc1O ZINC000238199907 573930879 /nfs/dbraw/zinc/93/08/79/573930879.db2.gz RJAOWNWDVDWIBT-UHFFFAOYSA-N 0 0 192.302 3.778 10 0 AHAERN CC1(C)CCCC(C)(C)C[C@@H](O)CC1 ZINC000238200258 573930571 /nfs/dbraw/zinc/93/05/71/573930571.db2.gz KOVYRBLOBLPVQJ-NSHDSACASA-N 0 0 198.350 3.754 10 0 AHAERN CC1(C)CCCC(C)(C)C[C@H](O)CC1 ZINC000238200278 573928606 /nfs/dbraw/zinc/92/86/06/573928606.db2.gz KOVYRBLOBLPVQJ-LLVKDONJSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC1=CCC(C)(C)[C@@H](O)C1(C)C ZINC000238201281 573940382 /nfs/dbraw/zinc/94/03/82/573940382.db2.gz CHIJSAYNIKQLNG-LLVKDONJSA-N 0 0 196.334 3.530 10 0 AHAERN CCC(Cl)(CC)c1cccc(O)c1 ZINC000238201319 573942134 /nfs/dbraw/zinc/94/21/34/573942134.db2.gz GTZQWGBULWTJNN-UHFFFAOYSA-N 0 0 198.693 3.646 10 0 AHAERN CCCC1=CCC(C)(C)[C@H](O)C1(C)C ZINC000238201320 573940479 /nfs/dbraw/zinc/94/04/79/573940479.db2.gz CHIJSAYNIKQLNG-NSHDSACASA-N 0 0 196.334 3.530 10 0 AHAERN CCCC1=C[C@@H](C)Nc2ccccc21 ZINC000238202083 573945499 /nfs/dbraw/zinc/94/54/99/573945499.db2.gz SAZCQFKGNCHEFK-SNVBAGLBSA-N 0 0 187.286 3.684 10 0 AHAERN CCCC1=C[C@H](C)Nc2ccccc21 ZINC000238202352 573944259 /nfs/dbraw/zinc/94/42/59/573944259.db2.gz SAZCQFKGNCHEFK-JTQLQIEISA-N 0 0 187.286 3.684 10 0 AHAERN C/C=C/C[C@H](O)[C@H](C)CCCCCC ZINC000238203396 572332636 /nfs/dbraw/zinc/33/26/36/572332636.db2.gz STTGGRZNRPIAOV-JOVKLMRISA-N 0 0 198.350 3.920 10 0 AHAERN Cc1ccc2c(N)ccc(C(C)C)cc1-2 ZINC000238204612 572332483 /nfs/dbraw/zinc/33/24/83/572332483.db2.gz BHGKWSUYTFHQGI-UHFFFAOYSA-N 0 0 199.297 3.805 10 0 AHAERN CCC(CC)(CC)CCC(C)=O ZINC000238204749 572331207 /nfs/dbraw/zinc/33/12/07/572331207.db2.gz LAVGWPMECLAWNY-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN CC(C)[C@@]1(CCCO)CCCC1(C)C ZINC000238205081 572330562 /nfs/dbraw/zinc/33/05/62/572330562.db2.gz GFWMIOCUMNRADJ-ZDUSSCGKSA-N 0 0 198.350 3.611 10 0 AHAERN CC(C)[C@@H](C)[C@@H](O)CC1=CCCCC1 ZINC000238205389 572333986 /nfs/dbraw/zinc/33/39/86/572333986.db2.gz IQBDWFHRKHHHCB-YPMHNXCESA-N 0 0 196.334 3.530 10 0 AHAERN CCC(CC)(CC)[C@@H](O)C(C)(C)C ZINC000238205639 572334154 /nfs/dbraw/zinc/33/41/54/572334154.db2.gz CZTULZBZRYAXPD-JTQLQIEISA-N 0 0 186.339 3.610 10 0 AHAERN CCC(CC)(CC)[C@H](O)C(C)(C)C ZINC000238205728 572334536 /nfs/dbraw/zinc/33/45/36/572334536.db2.gz CZTULZBZRYAXPD-SNVBAGLBSA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)[C@@H](C)[C@H](O)CC1=CCCCC1 ZINC000238205732 572334083 /nfs/dbraw/zinc/33/40/83/572334083.db2.gz IQBDWFHRKHHHCB-DGCLKSJQSA-N 0 0 196.334 3.530 10 0 AHAERN CCCCC[C@@H](C)c1ccc(N)cc1 ZINC000238206661 572335434 /nfs/dbraw/zinc/33/54/34/572335434.db2.gz DCMGHKPRYAKDSE-LLVKDONJSA-N 0 0 191.318 3.953 10 0 AHAERN CCC/C=C/[C@H](CO)CCCCCC ZINC000238206714 572336697 /nfs/dbraw/zinc/33/66/97/572336697.db2.gz GMIBSKPHDOVHTJ-FROQITRMSA-N 0 0 198.350 3.922 10 0 AHAERN CC/C=C/C[C@H](O)[C@@H](CC)CCCC ZINC000238207429 572336720 /nfs/dbraw/zinc/33/67/20/572336720.db2.gz QHDKSUGYIIILOO-VOWYIILJSA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)[C@]12C=CC=C[C@@H]1CCC2 ZINC000238207512 573952276 /nfs/dbraw/zinc/95/22/76/573952276.db2.gz NQTGLWGMTCDMGO-VXGBXAGGSA-N 0 0 162.276 3.555 10 0 AHAERN Cc1ccc(N)c(C(C)(C)C(C)C)c1 ZINC000238207598 573953649 /nfs/dbraw/zinc/95/36/49/573953649.db2.gz VBRBPDSIAMQZKX-UHFFFAOYSA-N 0 0 191.318 3.511 10 0 AHAERN Cc1ccc(C(C)(C)C(C)C)c(O)c1 ZINC000238207636 573951607 /nfs/dbraw/zinc/95/16/07/573951607.db2.gz SZFKXUKHYAEWIU-UHFFFAOYSA-N 0 0 192.302 3.634 10 0 AHAERN Cc1cc(C(C)(C)C(C)C)ccc1O ZINC000238207688 573952477 /nfs/dbraw/zinc/95/24/77/573952477.db2.gz CAJASPGHTOBAOJ-UHFFFAOYSA-N 0 0 192.302 3.634 10 0 AHAERN Cc1cc(O)ccc1C(C)(C)C(C)C ZINC000238207717 573951197 /nfs/dbraw/zinc/95/11/97/573951197.db2.gz FAKNZARIAQERKD-UHFFFAOYSA-N 0 0 192.302 3.634 10 0 AHAERN CC1=CC[C@@](C)(C(C)C)C=C1 ZINC000238208074 573951385 /nfs/dbraw/zinc/95/13/85/573951385.db2.gz RUCHASNJSYGYIA-NSHDSACASA-N 0 0 150.265 3.555 10 0 AHAERN CCCCNc1ccc(Cl)s1 ZINC000238208604 573952845 /nfs/dbraw/zinc/95/28/45/573952845.db2.gz CASKOXWGMZDELL-UHFFFAOYSA-N 0 0 189.711 3.614 10 0 AHAERN CCCCNc1ccc(N=O)c(C)c1 ZINC000238208672 572336160 /nfs/dbraw/zinc/33/61/60/572336160.db2.gz FKOCWYTYFVTKGV-UHFFFAOYSA-N 0 0 192.262 3.605 10 0 AHAERN CCCCNc1ccc(N=O)cc1C ZINC000238208698 572336140 /nfs/dbraw/zinc/33/61/40/572336140.db2.gz RULHSPIDMBCONV-UHFFFAOYSA-N 0 0 192.262 3.605 10 0 AHAERN CC/C=C/C[C@H](O)[C@H](CC)CCCC ZINC000238208912 572335712 /nfs/dbraw/zinc/33/57/12/572335712.db2.gz QHDKSUGYIIILOO-PYISVCGKSA-N 0 0 198.350 3.920 10 0 AHAERN CCCCCC[C@@H](O)/C=C/C(C)C ZINC000238209031 572335989 /nfs/dbraw/zinc/33/59/89/572335989.db2.gz ALSOOHTZDCRKRT-BZYZDCJZSA-N 0 0 184.323 3.530 10 0 AHAERN CCCCC[C@@H](CCCC)[C@@H](C)O ZINC000238209039 572337875 /nfs/dbraw/zinc/33/78/75/572337875.db2.gz MCWZYIWVMIHBPK-VXGBXAGGSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@@H](CCCC)[C@H](C)O ZINC000238209055 572338034 /nfs/dbraw/zinc/33/80/34/572338034.db2.gz MCWZYIWVMIHBPK-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CCCC[C@@H](/C=C(/CC)CO)CC ZINC000238209095 572337851 /nfs/dbraw/zinc/33/78/51/572337851.db2.gz HRXJVGRDUFYZAI-AWPPVZKDSA-N 0 0 184.323 3.532 10 0 AHAERN CC1(C)CC=C(OC2CCC2)CC1 ZINC000238209150 573957018 /nfs/dbraw/zinc/95/70/18/573957018.db2.gz ZLLJJHRQMMBCHU-UHFFFAOYSA-N 0 0 180.291 3.650 10 0 AHAERN CCCCNc1ccsc1Cl ZINC000238209172 344795756 /nfs/dbraw/zinc/79/57/56/344795756.db2.gz VLSBEPQQEGMEDQ-UHFFFAOYSA-N 0 0 189.711 3.614 10 0 AHAERN CC/C(C)=C(/CC)c1ccccc1N ZINC000238209261 573955528 /nfs/dbraw/zinc/95/55/28/573955528.db2.gz LGTDFBPYOPOMAK-KHPPLWFESA-N 0 0 189.302 3.862 10 0 AHAERN CC/C=C/[C@H](CCO)CCCCC ZINC000238209332 572335705 /nfs/dbraw/zinc/33/57/05/572335705.db2.gz GMNMVCBQNAIUMD-WMADIVHISA-N 0 0 184.323 3.532 10 0 AHAERN CC(C)C(O)(C(C)C)C1CCCCC1 ZINC000238209553 573956012 /nfs/dbraw/zinc/95/60/12/573956012.db2.gz PGKUHQBMYIQNOY-UHFFFAOYSA-N 0 0 198.350 3.610 10 0 AHAERN CC1(C)CCC[C@@H]1c1ccccc1N ZINC000238210644 573954811 /nfs/dbraw/zinc/95/48/11/573954811.db2.gz YTLMEDJRCZIPAE-LLVKDONJSA-N 0 0 189.302 3.563 10 0 AHAERN CC1(C)CCC[C@@H]1c1ccccc1O ZINC000238210686 573954227 /nfs/dbraw/zinc/95/42/27/573954227.db2.gz CWZJXYARWAFHPT-LLVKDONJSA-N 0 0 190.286 3.686 10 0 AHAERN CC(C)[C@]1(C)N=Nc2ccccc2N1 ZINC000238211000 573961475 /nfs/dbraw/zinc/96/14/75/573961475.db2.gz DTFMRBDCLAWZMS-NSHDSACASA-N 0 0 189.262 3.568 10 0 AHAERN CC(C)C/C=C(/C=C/[C@@H](C)O)C(C)C ZINC000238211234 573434935 /nfs/dbraw/zinc/43/49/35/573434935.db2.gz ASHPHHACUWKGCR-JBTGGAQHSA-N 0 0 196.334 3.552 10 0 AHAERN CCCC=C(C)Nc1ccccc1 ZINC000238211729 573960327 /nfs/dbraw/zinc/96/03/27/573960327.db2.gz AQUSNKBTLKPAIH-FLIBITNWSA-N 0 0 175.275 3.802 10 0 AHAERN CC(C)[C@@]12C=CC=C[C@H]1CCC2 ZINC000238211979 573958852 /nfs/dbraw/zinc/95/88/52/573958852.db2.gz NQTGLWGMTCDMGO-RYUDHWBXSA-N 0 0 162.276 3.555 10 0 AHAERN CC(C)[C@@]12C=CC=C[C@@H]1CCC2 ZINC000238212037 573958983 /nfs/dbraw/zinc/95/89/83/573958983.db2.gz NQTGLWGMTCDMGO-NEPJUHHUSA-N 0 0 162.276 3.555 10 0 AHAERN CCC/C=C(/CCC)C[C@@H](O)CC ZINC000238212584 572340992 /nfs/dbraw/zinc/34/09/92/572340992.db2.gz KUQZCPQNRPVRTK-MMRAYRKESA-N 0 0 184.323 3.674 10 0 AHAERN CCC/C=C(/CCC)C[C@H](O)CC ZINC000238212599 572340602 /nfs/dbraw/zinc/34/06/02/572340602.db2.gz KUQZCPQNRPVRTK-UCQJPZFISA-N 0 0 184.323 3.674 10 0 AHAERN CCCC[C@H](CO)CC(CC)CC ZINC000238213016 572338959 /nfs/dbraw/zinc/33/89/59/572338959.db2.gz POESEMBAZRLBEV-LBPRGKRZSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC[C@H](CO)C[C@@H](C)CCC ZINC000238213174 572339048 /nfs/dbraw/zinc/33/90/48/572339048.db2.gz SEQULAXUDQYBAU-RYUDHWBXSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC[C@H](CO)C[C@H](C)CCC ZINC000238213188 572338768 /nfs/dbraw/zinc/33/87/68/572338768.db2.gz SEQULAXUDQYBAU-NEPJUHHUSA-N 0 0 186.339 3.611 10 0 AHAERN CCC/C=C/CC[C@@H]1CCC[C@@H](O)C1 ZINC000238214411 572341243 /nfs/dbraw/zinc/34/12/43/572341243.db2.gz LBXVEUHERSGAJF-IJWDBEHRSA-N 0 0 196.334 3.674 10 0 AHAERN CCC/C=C(\F)[C@H](O)CCCCC ZINC000238214639 572340659 /nfs/dbraw/zinc/34/06/59/572340659.db2.gz JRBQUSHVCCKZLD-HIJJYWJESA-N 0 0 188.286 3.581 10 0 AHAERN CC(C)[C@@]1(C)N=Nc2ccccc2N1 ZINC000238214651 573941853 /nfs/dbraw/zinc/94/18/53/573941853.db2.gz DTFMRBDCLAWZMS-LLVKDONJSA-N 0 0 189.262 3.568 10 0 AHAERN CC(C)c1ccc2c(c1)CCCS2 ZINC000238214898 573940902 /nfs/dbraw/zinc/94/09/02/573940902.db2.gz CDQNWFABJPULJC-UHFFFAOYSA-N 0 0 192.327 3.848 10 0 AHAERN CCCCC[C@@H](O)CCC=C(C)C ZINC000238215042 572339876 /nfs/dbraw/zinc/33/98/76/572339876.db2.gz PEVQULPMWUBJDV-GFCCVEGCSA-N 0 0 184.323 3.674 10 0 AHAERN CCC=C(C)Nc1ccc(C)cc1 ZINC000238215761 573958738 /nfs/dbraw/zinc/95/87/38/573958738.db2.gz OLIBQYGRQIDNER-WZUFQYTHSA-N 0 0 175.275 3.721 10 0 AHAERN CC(C)c1ccc2ccccc2c1N ZINC000238216044 371726092 /nfs/dbraw/zinc/72/60/92/371726092.db2.gz RUMDRIODOLGRTI-UHFFFAOYSA-N 0 0 185.270 3.545 10 0 AHAERN CCCCCC[C@@]1(C)CCC[C@@H]1O ZINC000238216319 572343824 /nfs/dbraw/zinc/34/38/24/572343824.db2.gz UGPNLMMAQRRFBG-RYUDHWBXSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@@]1(C)CCC[C@H]1O ZINC000238216331 572342747 /nfs/dbraw/zinc/34/27/47/572342747.db2.gz UGPNLMMAQRRFBG-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CC(C)/C(=C/C=C/[C@@H](C)O)C(C)(C)C ZINC000238216582 572344126 /nfs/dbraw/zinc/34/41/26/572344126.db2.gz HBVXPLNUQIBLOY-HXQNNUCBSA-N 0 0 196.334 3.552 10 0 AHAERN CC(C)/C(=C/C=C/[C@H](C)O)C(C)(C)C ZINC000238216594 572344248 /nfs/dbraw/zinc/34/42/48/572344248.db2.gz HBVXPLNUQIBLOY-QFNLLXCISA-N 0 0 196.334 3.552 10 0 AHAERN CC1(C)CCC[C@H]1c1ccccc1N ZINC000238216830 573963876 /nfs/dbraw/zinc/96/38/76/573963876.db2.gz YTLMEDJRCZIPAE-NSHDSACASA-N 0 0 189.302 3.563 10 0 AHAERN CC1(C)CCC[C@H]1c1ccccc1O ZINC000238216871 573963195 /nfs/dbraw/zinc/96/31/95/573963195.db2.gz CWZJXYARWAFHPT-NSHDSACASA-N 0 0 190.286 3.686 10 0 AHAERN CC/C=C(/CC)[C@@H](O)C1CCCCC1 ZINC000238217006 572343777 /nfs/dbraw/zinc/34/37/77/572343777.db2.gz LSWLVQNZXLTDBS-BIRHUZIMSA-N 0 0 196.334 3.674 10 0 AHAERN CC/C=C(/CC)[C@H](O)C1CCCCC1 ZINC000238217077 572344077 /nfs/dbraw/zinc/34/40/77/572344077.db2.gz LSWLVQNZXLTDBS-ZWXCPPHNSA-N 0 0 196.334 3.674 10 0 AHAERN CC1(C)CCSc2ccc(F)cc21 ZINC000238217236 572349201 /nfs/dbraw/zinc/34/92/01/572349201.db2.gz IILNDQUDOGPESN-UHFFFAOYSA-N 0 0 196.290 3.599 10 0 AHAERN CCC/C=C/C=C/[C@H](O)CCCCC ZINC000238217511 572347066 /nfs/dbraw/zinc/34/70/66/572347066.db2.gz DQMDCQLYFSBRMO-ASSMCYFGSA-N 0 0 196.334 3.840 10 0 AHAERN CC1(C)[C@@H]2CC[C@H]1/C(=C/Cl)C2 ZINC000238217952 572347738 /nfs/dbraw/zinc/34/77/38/572347738.db2.gz NEPFVXCSDSDWKM-BXELRRQVSA-N 0 0 170.683 3.565 10 0 AHAERN CC/C=C(\CC)C(O)/C(=C\CC)CC ZINC000238218072 572349442 /nfs/dbraw/zinc/34/94/42/572349442.db2.gz MHZSJUBOICEWFZ-DSOJMZEYSA-N 0 0 196.334 3.840 10 0 AHAERN CCC/C=C/c1cccc2[nH]ccc21 ZINC000238218221 573966162 /nfs/dbraw/zinc/96/61/62/573966162.db2.gz FOTBMQZAUPGVQK-GQCTYLIASA-N 0 0 185.270 3.981 10 0 AHAERN Cc1ccccc1NC/C=C/C(C)C ZINC000238218601 573966567 /nfs/dbraw/zinc/96/65/67/573966567.db2.gz HDUUBYIURSTLTE-VOTSOKGWSA-N 0 0 189.302 3.619 10 0 AHAERN CC(C)C=CNc1ccccc1Cl ZINC000238218943 573966546 /nfs/dbraw/zinc/96/65/46/573966546.db2.gz MVEGPUATBWWMCI-BQYQJAHWSA-N 0 0 195.693 3.922 10 0 AHAERN CC(C)c1cccc2c1CC[C@H](C)N2 ZINC000238219752 573965459 /nfs/dbraw/zinc/96/54/59/573965459.db2.gz VCYHFRBNYOLTIG-JTQLQIEISA-N 0 0 189.302 3.557 10 0 AHAERN CC(C)c1cccc2c1CC[C@@H](C)N2 ZINC000238219845 573967807 /nfs/dbraw/zinc/96/78/07/573967807.db2.gz VCYHFRBNYOLTIG-SNVBAGLBSA-N 0 0 189.302 3.557 10 0 AHAERN C/C=C/C[C@H](O)[C@@H](C)CCCCCC ZINC000238220515 572357736 /nfs/dbraw/zinc/35/77/36/572357736.db2.gz STTGGRZNRPIAOV-YTDWTQRBSA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)/C=C/c1cccc2[nH]ccc21 ZINC000238220538 573978166 /nfs/dbraw/zinc/97/81/66/573978166.db2.gz IBOCBRZSGVVUJL-VOTSOKGWSA-N 0 0 185.270 3.837 10 0 AHAERN CCC(=CCc1ccccc1N)CC ZINC000238220633 572361460 /nfs/dbraw/zinc/36/14/60/572361460.db2.gz YHYBYJMZDRDJPU-UHFFFAOYSA-N 0 0 189.302 3.558 10 0 AHAERN CCC(=CCc1ccccc1O)CC ZINC000238220646 572361699 /nfs/dbraw/zinc/36/16/99/572361699.db2.gz HXLRRNHUUQKZMM-UHFFFAOYSA-N 0 0 190.286 3.681 10 0 AHAERN CCC(=Cc1cc(C)ccc1O)CC ZINC000238220916 573976174 /nfs/dbraw/zinc/97/61/74/573976174.db2.gz UTJUDUAJVJRTAB-UHFFFAOYSA-N 0 0 190.286 3.904 10 0 AHAERN CCC(=Cc1sccc1N)CC ZINC000238220966 371726001 /nfs/dbraw/zinc/72/60/01/371726001.db2.gz KVAMPAIJMWZSKT-UHFFFAOYSA-N 0 0 181.304 3.534 10 0 AHAERN CCCCC(=C=C(C)C)C(C)(C)CO ZINC000238221326 572374442 /nfs/dbraw/zinc/37/44/42/572374442.db2.gz LXALXYUMGJUKMP-UHFFFAOYSA-N 0 0 196.334 3.687 10 0 AHAERN CCCCC[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000238221328 572373204 /nfs/dbraw/zinc/37/32/04/572373204.db2.gz AGEZPEIXDLBEAF-IJLUTSLNSA-N 0 0 164.292 3.779 10 0 AHAERN CCCCC(=C=CC(C)(C)C)[C@@H](C)O ZINC000238221697 572372393 /nfs/dbraw/zinc/37/23/93/572372393.db2.gz CTGSIPMADHVBDO-HCCKASOXSA-N 0 0 196.334 3.685 10 0 AHAERN CCC[C@@H]1Nc2ccccc2[C@@H]1CC ZINC000238221702 573979028 /nfs/dbraw/zinc/97/90/28/573979028.db2.gz QFRDBEVIWVLUHW-JQWIXIFHSA-N 0 0 189.302 3.774 10 0 AHAERN CCCCC(=C=CC(C)(C)C)[C@H](C)O ZINC000238221705 572372089 /nfs/dbraw/zinc/37/20/89/572372089.db2.gz CTGSIPMADHVBDO-UMJHXOGRSA-N 0 0 196.334 3.685 10 0 AHAERN CCC[C@@H]1Nc2ccccc2[C@H]1CC ZINC000238221722 573976463 /nfs/dbraw/zinc/97/64/63/573976463.db2.gz QFRDBEVIWVLUHW-PWSUYJOCSA-N 0 0 189.302 3.774 10 0 AHAERN CC=C=C(CCCC)[C@@H](C)[C@@H](O)CC ZINC000238221725 572372716 /nfs/dbraw/zinc/37/27/16/572372716.db2.gz GOVGQRBCXYKHIE-WPLSFSDESA-N 0 0 196.334 3.685 10 0 AHAERN CC=C=C(CCCC)[C@@H](C)[C@H](O)CC ZINC000238221738 572373995 /nfs/dbraw/zinc/37/39/95/572373995.db2.gz GOVGQRBCXYKHIE-HRBVQNPCSA-N 0 0 196.334 3.685 10 0 AHAERN CC=C=C(CCCC)[C@H](C)[C@@H](O)CC ZINC000238221787 572374605 /nfs/dbraw/zinc/37/46/05/572374605.db2.gz GOVGQRBCXYKHIE-PAJVWHMTSA-N 0 0 196.334 3.685 10 0 AHAERN CC=C=C(CCCC)[C@H](C)[C@H](O)CC ZINC000238221800 572372999 /nfs/dbraw/zinc/37/29/99/572372999.db2.gz GOVGQRBCXYKHIE-DALSCRRLSA-N 0 0 196.334 3.685 10 0 AHAERN CCCC=C=C(CCCC)[C@@H](C)CO ZINC000238221896 572374953 /nfs/dbraw/zinc/37/49/53/572374953.db2.gz WQAUQORVZZJUCI-KFJBMODSSA-N 0 0 196.334 3.687 10 0 AHAERN CCCC=C=C(CCCC)[C@H](C)CO ZINC000238221905 572373929 /nfs/dbraw/zinc/37/39/29/572373929.db2.gz WQAUQORVZZJUCI-TVKKRMFBSA-N 0 0 196.334 3.687 10 0 AHAERN CCCCC(=C=CCCO)C(C)(C)C ZINC000238221917 572372646 /nfs/dbraw/zinc/37/26/46/572372646.db2.gz UVIJGIOUROAJIU-UHFFFAOYSA-N 0 0 196.334 3.687 10 0 AHAERN CCC/C=C/[C@@H](CO)CCCCCC ZINC000238222303 572378081 /nfs/dbraw/zinc/37/80/81/572378081.db2.gz GMIBSKPHDOVHTJ-AORWBKJGSA-N 0 0 198.350 3.922 10 0 AHAERN Cc1[nH]c2ccc(C)cc2c1C(C)C ZINC000238223053 573980824 /nfs/dbraw/zinc/98/08/24/573980824.db2.gz NYTGOHCBXGTLIU-UHFFFAOYSA-N 0 0 187.286 3.908 10 0 AHAERN Cc1[nH]c2ccc(F)cc2c1C(C)C ZINC000238223089 573979668 /nfs/dbraw/zinc/97/96/68/573979668.db2.gz NNKHVZGFEZTDEW-UHFFFAOYSA-N 0 0 191.249 3.739 10 0 AHAERN CCC[C@@](C)(CC)c1ccc(N)cc1 ZINC000238223288 572385016 /nfs/dbraw/zinc/38/50/16/572385016.db2.gz BEYNCULNRYYGOU-CYBMUJFWSA-N 0 0 191.318 3.737 10 0 AHAERN CCCCC(=O)CC[C@@H](C)CC ZINC000238223347 572384873 /nfs/dbraw/zinc/38/48/73/572384873.db2.gz OIFJEWWCKJVWHK-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CCCCC(=O)CC[C@H](C)CC ZINC000238223403 572384195 /nfs/dbraw/zinc/38/41/95/572384195.db2.gz OIFJEWWCKJVWHK-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN CCCCCC[C@H](O)/C=C/C(C)C ZINC000238223681 572386373 /nfs/dbraw/zinc/38/63/73/572386373.db2.gz ALSOOHTZDCRKRT-VMPCVLLUSA-N 0 0 184.323 3.530 10 0 AHAERN C=C/C(C)=C\C[C@@H](O)CCCCCC ZINC000238224031 572377232 /nfs/dbraw/zinc/37/72/32/572377232.db2.gz HDZNQOIJJMOSFU-UKVQZPPCSA-N 0 0 196.334 3.840 10 0 AHAERN CCCC=C=C[C@@H](O)CCCCCC ZINC000238224122 572378553 /nfs/dbraw/zinc/37/85/53/572378553.db2.gz YKUMUCPGIWTIJA-WCRCJTMVSA-N 0 0 196.334 3.829 10 0 AHAERN CCC(CC)CCCCC(C)=O ZINC000238224149 572377031 /nfs/dbraw/zinc/37/70/31/572377031.db2.gz YLUFNGZAHWSRTK-UHFFFAOYSA-N 0 0 170.296 3.572 10 0 AHAERN CCC(CC)CCCCCCCO ZINC000238224199 573981353 /nfs/dbraw/zinc/98/13/53/573981353.db2.gz RJKCKOBOECRGNU-UHFFFAOYSA-N 0 0 186.339 3.756 10 0 AHAERN CCCCCC[C@H](O)CC=C(C)C ZINC000238224290 572380431 /nfs/dbraw/zinc/38/04/31/572380431.db2.gz FRJKYGLPEPLISR-LBPRGKRZSA-N 0 0 184.323 3.674 10 0 AHAERN CCC1(CC)CCC[C@@](C)(CC)[C@@H]1O ZINC000238224736 573984178 /nfs/dbraw/zinc/98/41/78/573984178.db2.gz VBUZMILLQNOYHX-NWDGAFQWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC1(CC)CCC[C@@](C)(CC)[C@H]1O ZINC000238224745 573985627 /nfs/dbraw/zinc/98/56/27/573985627.db2.gz VBUZMILLQNOYHX-VXGBXAGGSA-N 0 0 198.350 3.754 10 0 AHAERN CCC1(CC)CCC[C@](C)(CC)[C@@H]1O ZINC000238224788 573985775 /nfs/dbraw/zinc/98/57/75/573985775.db2.gz VBUZMILLQNOYHX-RYUDHWBXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC1(CC)CCC[C@](C)(CC)[C@H]1O ZINC000238224800 573983601 /nfs/dbraw/zinc/98/36/01/573983601.db2.gz VBUZMILLQNOYHX-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)[C@H](C)[C@@H](O)CC1=CCCCC1 ZINC000238224956 572389723 /nfs/dbraw/zinc/38/97/23/572389723.db2.gz IQBDWFHRKHHHCB-AAEUAGOBSA-N 0 0 196.334 3.530 10 0 AHAERN C/C=C/[C@H](C)[C@@H](O)CCCCCC ZINC000238225064 572389696 /nfs/dbraw/zinc/38/96/96/572389696.db2.gz DRFRCDJROVCBSP-DRXGGPSDSA-N 0 0 184.323 3.530 10 0 AHAERN CC(C)[C@H](C)[C@H](O)CC1=CCCCC1 ZINC000238225219 572385080 /nfs/dbraw/zinc/38/50/80/572385080.db2.gz IQBDWFHRKHHHCB-WCQYABFASA-N 0 0 196.334 3.530 10 0 AHAERN CCCCC[C@H](C)CCC[C@@H](C)O ZINC000238226155 572385347 /nfs/dbraw/zinc/38/53/47/572385347.db2.gz WEJJJCIGNZLDHX-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@H](C)CCC[C@H](C)O ZINC000238226169 572384330 /nfs/dbraw/zinc/38/43/30/572384330.db2.gz WEJJJCIGNZLDHX-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN Cc1cc2c([nH]1)[C@@H](C(C)C)CC=C2C ZINC000238227680 573971471 /nfs/dbraw/zinc/97/14/71/573971471.db2.gz BNADOKOWTSAFGP-LLVKDONJSA-N 0 0 189.302 3.870 10 0 AHAERN CC1(C)/C(=C/Cl)[C@@H]2CC[C@H]1C2 ZINC000238227723 572393872 /nfs/dbraw/zinc/39/38/72/572393872.db2.gz OXGQZPPXKJCCLZ-HWSTVNFDSA-N 0 0 170.683 3.565 10 0 AHAERN Cc1cc(C(C)C)cc(C(C)C)c1N ZINC000238228552 573971267 /nfs/dbraw/zinc/97/12/67/573971267.db2.gz FJVSHMSTIAIHNA-UHFFFAOYSA-N 0 0 191.318 3.824 10 0 AHAERN CC(C)[C@H]1CCC(C)(C)C(C=O)C1 ZINC000238228808 573969249 /nfs/dbraw/zinc/96/92/49/573969249.db2.gz AMHXKKIVEAPATP-NGPGYTDTSA-N 0 0 182.307 3.911 10 0 AHAERN CC(C)c1cc(C=O)c2cccccc1-2 ZINC000238229145 572396864 /nfs/dbraw/zinc/39/68/64/572396864.db2.gz BJEYTZVNRUUNDN-UHFFFAOYSA-N 0 0 198.265 3.727 10 0 AHAERN CCC(CC)Cc1ccc(C=O)s1 ZINC000238229233 572396860 /nfs/dbraw/zinc/39/68/60/572396860.db2.gz YOFUTABCARMSJE-UHFFFAOYSA-N 0 0 196.315 3.539 10 0 AHAERN CC(C)[C@@H]1CC=C(CC[C@@H](C)O)CC1 ZINC000238229379 572394701 /nfs/dbraw/zinc/39/47/01/572394701.db2.gz VJNUGMICHJWLHL-DGCLKSJQSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@@H]1CC=C(CC[C@H](C)O)CC1 ZINC000238229395 572396227 /nfs/dbraw/zinc/39/62/27/572396227.db2.gz VJNUGMICHJWLHL-WCQYABFASA-N 0 0 196.334 3.530 10 0 AHAERN CCCCCC[C@]1(C)CCC[C@@H]1O ZINC000238229804 572396655 /nfs/dbraw/zinc/39/66/55/572396655.db2.gz UGPNLMMAQRRFBG-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@]1(C)CCC[C@H]1O ZINC000238229816 572394584 /nfs/dbraw/zinc/39/45/84/572394584.db2.gz UGPNLMMAQRRFBG-VXGBXAGGSA-N 0 0 184.323 3.508 10 0 AHAERN C/C=C/C/C(=C\CO)CCCCCC ZINC000238230469 572402501 /nfs/dbraw/zinc/40/25/01/572402501.db2.gz YGQKPJOBTQMGLM-OACCZNHXSA-N 0 0 196.334 3.842 10 0 AHAERN CCCCCCc1[nH]cc(C)c1C ZINC000238230538 572403187 /nfs/dbraw/zinc/40/31/87/572403187.db2.gz LUICPKBEJICBFP-UHFFFAOYSA-N 0 0 179.307 3.754 10 0 AHAERN CCCCCCc1c(C)c[nH]c1C ZINC000238230599 572403181 /nfs/dbraw/zinc/40/31/81/572403181.db2.gz CCAAJOLSQFOTGA-UHFFFAOYSA-N 0 0 179.307 3.754 10 0 AHAERN CCCCC[C@H](C)c1ccc(N)cc1 ZINC000238230688 572403135 /nfs/dbraw/zinc/40/31/35/572403135.db2.gz DCMGHKPRYAKDSE-NSHDSACASA-N 0 0 191.318 3.953 10 0 AHAERN Cc1cc(C(C)C)c(N)cc1C(C)C ZINC000238231004 573990025 /nfs/dbraw/zinc/99/00/25/573990025.db2.gz OURDAZOMHORJHQ-UHFFFAOYSA-N 0 0 191.318 3.824 10 0 AHAERN Cc1c(N)cc(C(C)C)cc1C(C)C ZINC000238231063 573989844 /nfs/dbraw/zinc/98/98/44/573989844.db2.gz VOEDYYILGHYOOR-UHFFFAOYSA-N 0 0 191.318 3.824 10 0 AHAERN CCCCCCc1cc(OC)cs1 ZINC000238231325 572401155 /nfs/dbraw/zinc/40/11/55/572401155.db2.gz BTJISDDHYWHIKF-UHFFFAOYSA-N 0 0 198.331 3.880 10 0 AHAERN CCCCCCc1ccc(C)c(N)c1 ZINC000238231514 572401387 /nfs/dbraw/zinc/40/13/87/572401387.db2.gz CFVKHVHWPIHRPX-UHFFFAOYSA-N 0 0 191.318 3.700 10 0 AHAERN CCCCC(=C=C(C)CO)CCCC ZINC000238231780 572399758 /nfs/dbraw/zinc/39/97/58/572399758.db2.gz ISVVZMPOGJOYPT-UHFFFAOYSA-N 0 0 196.334 3.831 10 0 AHAERN CCCCCCc1ccc(O)c(F)c1 ZINC000238231821 572400703 /nfs/dbraw/zinc/40/07/03/572400703.db2.gz ACAHQJUUSYCBJA-UHFFFAOYSA-N 0 0 196.265 3.654 10 0 AHAERN CCCCCCC1=CCC(=O)S1 ZINC000238231859 572398305 /nfs/dbraw/zinc/39/83/05/572398305.db2.gz MBOZUOGBTPALPG-UHFFFAOYSA-N 0 0 184.304 3.577 10 0 AHAERN CCCCCCC1C=CSC1=O ZINC000238232174 572408069 /nfs/dbraw/zinc/40/80/69/572408069.db2.gz RZUGFILQBDKKDD-UHFFFAOYSA-N 0 0 184.304 3.577 10 0 AHAERN CCCCCCc1ccsc1OC ZINC000238232199 572410549 /nfs/dbraw/zinc/41/05/49/572410549.db2.gz KWLFSVJYDHSEAB-UHFFFAOYSA-N 0 0 198.331 3.880 10 0 AHAERN CCCC[C@H](O)C(C)(C)CCCC ZINC000238232214 572409578 /nfs/dbraw/zinc/40/95/78/572409578.db2.gz MUDQZPIRNLAMFC-NSHDSACASA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC(/C=C/CO)CCCC ZINC000238232343 572410835 /nfs/dbraw/zinc/41/08/35/572410835.db2.gz RBIXOONXAUQGIZ-JXMROGBWSA-N 0 0 184.323 3.532 10 0 AHAERN CCCCC[C@H](CCCC)[C@@H](C)O ZINC000238232362 572409419 /nfs/dbraw/zinc/40/94/19/572409419.db2.gz MCWZYIWVMIHBPK-NEPJUHHUSA-N 0 0 186.339 3.754 10 0 AHAERN CCCCC[C@H](CCCC)[C@H](C)O ZINC000238232375 572409584 /nfs/dbraw/zinc/40/95/84/572409584.db2.gz MCWZYIWVMIHBPK-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN CCC/C=C(\CC)[C@@H](O)CCCC ZINC000238232504 572407765 /nfs/dbraw/zinc/40/77/65/572407765.db2.gz AHNPDNPLFJKAGD-ZKQHCESOSA-N 0 0 184.323 3.674 10 0 AHAERN CCCCCCC1=CSC(=O)C1 ZINC000238232534 572410370 /nfs/dbraw/zinc/41/03/70/572410370.db2.gz HYEGYEAPEFXPQE-UHFFFAOYSA-N 0 0 184.304 3.577 10 0 AHAERN CCCCCCc1csc(OC)c1 ZINC000238232554 572410737 /nfs/dbraw/zinc/41/07/37/572410737.db2.gz XZLBSGVYUKVDDU-UHFFFAOYSA-N 0 0 198.331 3.880 10 0 AHAERN CC/C=C/[C@@H](CCO)CCCCC ZINC000238232568 572409820 /nfs/dbraw/zinc/40/98/20/572409820.db2.gz GMNMVCBQNAIUMD-WAFBPQNNSA-N 0 0 184.323 3.532 10 0 AHAERN CCCCCCc1cscc1C=O ZINC000238232656 572409624 /nfs/dbraw/zinc/40/96/24/572409624.db2.gz OFJBZBNWQKPDEV-UHFFFAOYSA-N 0 0 196.315 3.683 10 0 AHAERN CCCC[C@H](O)C=C=C(C)C(C)(C)C ZINC000238232873 572414024 /nfs/dbraw/zinc/41/40/24/572414024.db2.gz FNHPBKOCHYYYIZ-ACGXKRRESA-N 0 0 196.334 3.685 10 0 AHAERN CCCC[C@H](O)CC[C@H]1CC=CCC1 ZINC000238233572 572405409 /nfs/dbraw/zinc/40/54/09/572405409.db2.gz NFESZXMUTVMLKE-STQMWFEESA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@H](O)CC[C@@H]1CC=CCC1 ZINC000238233616 572404571 /nfs/dbraw/zinc/40/45/71/572404571.db2.gz NFESZXMUTVMLKE-OLZOCXBDSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC/C(C)=C/CCCCCO ZINC000238233621 572406358 /nfs/dbraw/zinc/40/63/58/572406358.db2.gz ISDIHGWYAJNYCT-ZRDIBKRKSA-N 0 0 184.323 3.676 10 0 AHAERN CC1=C(C)c2[nH]c3ccccc3c2C1 ZINC000238233902 573992309 /nfs/dbraw/zinc/99/23/09/573992309.db2.gz PLXXHBGZWOJLEI-UHFFFAOYSA-N 0 0 183.254 3.517 10 0 AHAERN CC1(C2CCCCC2)CCC1 ZINC000238234068 344796527 /nfs/dbraw/zinc/79/65/27/344796527.db2.gz DDBKLYRGJCEAOI-UHFFFAOYSA-N 0 0 152.281 3.757 10 0 AHAERN CC1=C2Nc3ccccc3[C@@]2(C)CCC1 ZINC000238234334 572413109 /nfs/dbraw/zinc/41/31/09/572413109.db2.gz AOFVDUWEEHXUOM-CQSZACIVSA-N 0 0 199.297 3.828 10 0 AHAERN CC1=C2Nc3ccccc3[C@]2(C)CCC1 ZINC000238234351 572412492 /nfs/dbraw/zinc/41/24/92/572412492.db2.gz AOFVDUWEEHXUOM-AWEZNQCLSA-N 0 0 199.297 3.828 10 0 AHAERN CCCC[C@H](O)[C@@H](C)C1CCCCC1 ZINC000238234605 572414358 /nfs/dbraw/zinc/41/43/58/572414358.db2.gz TZIJYKLSXKHXKB-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC/C=C(/CCC)CCO ZINC000238234624 572413970 /nfs/dbraw/zinc/41/39/70/572413970.db2.gz NKFZHUXHEQMIBI-XFXZXTDPSA-N 0 0 184.323 3.676 10 0 AHAERN C=C(/C=C/CCCCC)/C=C/[C@H](C)O ZINC000238234909 572414122 /nfs/dbraw/zinc/41/41/22/572414122.db2.gz BJCASLNIHBXUHJ-JZWQGDBUSA-N 0 0 194.318 3.616 10 0 AHAERN CCCCC/C=C/C(C)(C)[C@@H](C)O ZINC000238235034 572414509 /nfs/dbraw/zinc/41/45/09/572414509.db2.gz DCGTYORWXYUNLY-PBQZMEPESA-N 0 0 184.323 3.530 10 0 AHAERN CCCCC/C=C/C(C)(C)[C@H](C)O ZINC000238235046 572412023 /nfs/dbraw/zinc/41/20/23/572412023.db2.gz DCGTYORWXYUNLY-USKTWTLRSA-N 0 0 184.323 3.530 10 0 AHAERN CCCCC/C=C/C=C/[C@@H](O)C(C)C ZINC000238235136 572414445 /nfs/dbraw/zinc/41/44/45/572414445.db2.gz VBTRHWWRHNXONQ-SMEFZWSQSA-N 0 0 196.334 3.696 10 0 AHAERN CCCCC/C=C/C=C/[C@@H](O)CCC ZINC000238235186 572413939 /nfs/dbraw/zinc/41/39/39/572413939.db2.gz UYQKNKLMBVMLHY-OIQGXTPOSA-N 0 0 196.334 3.840 10 0 AHAERN C/C=C/[C@H](O)/C=C/C=C/CCCCC ZINC000238235229 572412854 /nfs/dbraw/zinc/41/28/54/572412854.db2.gz WOLZVOBUVDNRGF-HUXKPDRASA-N 0 0 194.318 3.616 10 0 AHAERN CCCCC/C=C/C=C/[C@H](O)CCC ZINC000238235295 572416691 /nfs/dbraw/zinc/41/66/91/572416691.db2.gz UYQKNKLMBVMLHY-WFBXAFCRSA-N 0 0 196.334 3.840 10 0 AHAERN CCCc1[nH]c(-c2ccccc2)cc1C ZINC000238235647 572421237 /nfs/dbraw/zinc/42/12/37/572421237.db2.gz VHMHGUQLDUHVIS-UHFFFAOYSA-N 0 0 199.297 3.943 10 0 AHAERN CCCCC/C=C/C[C@@H](O)C(C)C ZINC000238235782 572419157 /nfs/dbraw/zinc/41/91/57/572419157.db2.gz XVNUAVCGNGLJRO-IDVQTMNDSA-N 0 0 184.323 3.530 10 0 AHAERN CCCC[C@H](O)[C@H](C)C1CCCCC1 ZINC000238235819 572419536 /nfs/dbraw/zinc/41/95/36/572419536.db2.gz TZIJYKLSXKHXKB-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN C/C=C/C[C@H](O)C/C=C/CCCCC ZINC000238235898 572420644 /nfs/dbraw/zinc/42/06/44/572420644.db2.gz HPPWHKALRAVJJP-MYHHTAQDSA-N 0 0 196.334 3.840 10 0 AHAERN CCCCC/C=C/C[C@H](O)C(C)C ZINC000238236078 572417003 /nfs/dbraw/zinc/41/70/03/572417003.db2.gz XVNUAVCGNGLJRO-BCPZQOPPSA-N 0 0 184.323 3.530 10 0 AHAERN CCCCC/C=C/C/C=C/C=C/CO ZINC000238236267 572416748 /nfs/dbraw/zinc/41/67/48/572416748.db2.gz YMQZNPIWCWKUFX-NRSJTBBXSA-N 0 0 194.318 3.618 10 0 AHAERN CCC/C=C/[C@H](O)/C=C/CCCCC ZINC000238236710 572418104 /nfs/dbraw/zinc/41/81/04/572418104.db2.gz BFRWMKKAZCOZGO-ZHKIDRDLSA-N 0 0 196.334 3.840 10 0 AHAERN CCCCC/C=C/[C@@H]1CCCC[C@H]1O ZINC000238236758 572415318 /nfs/dbraw/zinc/41/53/18/572415318.db2.gz NDWVYACRXINHCD-BHAGLWOSSA-N 0 0 196.334 3.674 10 0 AHAERN CCC/C=C(\F)[C@@H](O)CCCCC ZINC000238236944 572416288 /nfs/dbraw/zinc/41/62/88/572416288.db2.gz JRBQUSHVCCKZLD-IEHMKBBKSA-N 0 0 188.286 3.581 10 0 AHAERN CCCCC/C=C/[C@H](O)/C=C/C(C)C ZINC000238237003 572417502 /nfs/dbraw/zinc/41/75/02/572417502.db2.gz HJWWKLVTOASOOQ-JZWQGDBUSA-N 0 0 196.334 3.696 10 0 AHAERN CCCCC[C@H](O)CCC=C(C)C ZINC000238237343 572417035 /nfs/dbraw/zinc/41/70/35/572417035.db2.gz PEVQULPMWUBJDV-LBPRGKRZSA-N 0 0 184.323 3.674 10 0 AHAERN CCCCC[C@H](O)[C@@H]1CC=CC[C@@H]1C ZINC000238238519 572424079 /nfs/dbraw/zinc/42/40/79/572424079.db2.gz BKKKYFCBGBCABO-XQQFMLRXSA-N 0 0 196.334 3.530 10 0 AHAERN CCCSc1c[nH]c2ccccc12 ZINC000238238525 574002221 /nfs/dbraw/zinc/00/22/21/574002221.db2.gz TZIHBQVGQVYEGW-UHFFFAOYSA-N 0 0 191.299 3.670 10 0 AHAERN CCCCC12CCC(CO)(CC1)CC2 ZINC000238238606 572425407 /nfs/dbraw/zinc/42/54/07/572425407.db2.gz DAIIBPBLWZZVAF-UHFFFAOYSA-N 0 0 196.334 3.510 10 0 AHAERN CCCCC1=C(C)C[C@@H](O)CC(C)=C1 ZINC000238238987 574003151 /nfs/dbraw/zinc/00/31/51/574003151.db2.gz PXQDJLPJHAXLFM-ZDUSSCGKSA-N 0 0 194.318 3.594 10 0 AHAERN CCCCC1=C(C)C[C@H](O)CC(C)=C1 ZINC000238239056 574002098 /nfs/dbraw/zinc/00/20/98/574002098.db2.gz PXQDJLPJHAXLFM-CYBMUJFWSA-N 0 0 194.318 3.594 10 0 AHAERN CCCCC[C@H](O)[C@H]1CC=CC[C@@H]1C ZINC000238239346 572437353 /nfs/dbraw/zinc/43/73/53/572437353.db2.gz BKKKYFCBGBCABO-AVGNSLFASA-N 0 0 196.334 3.530 10 0 AHAERN CCCSc1ccccc1SC ZINC000238239682 344796982 /nfs/dbraw/zinc/79/69/82/344796982.db2.gz PXLFGEWXILWJES-UHFFFAOYSA-N 0 0 198.356 3.911 10 0 AHAERN CCCc1cc2cc(C)cc(F)c2[nH]1 ZINC000238239711 574005051 /nfs/dbraw/zinc/00/50/51/574005051.db2.gz NXWOUDAZBOVIFQ-UHFFFAOYSA-N 0 0 191.249 3.568 10 0 AHAERN CCCCC[C@H](O)/C=C/C=C/C(C)C ZINC000238239726 572438739 /nfs/dbraw/zinc/43/87/39/572438739.db2.gz LVFFPBYIMXRXEI-PRHKOUSOSA-N 0 0 196.334 3.696 10 0 AHAERN CCC/C=C/C=C/[C@@H](O)CCCCC ZINC000238239746 572441074 /nfs/dbraw/zinc/44/10/74/572441074.db2.gz DQMDCQLYFSBRMO-UDNVANOLSA-N 0 0 196.334 3.840 10 0 AHAERN CCCc1cc2cccc(Cl)c2[nH]1 ZINC000238240063 574006541 /nfs/dbraw/zinc/00/65/41/574006541.db2.gz QMPNLFTZEGQCGG-UHFFFAOYSA-N 0 0 193.677 3.774 10 0 AHAERN CC(=S)Nc1ccc(C(C)C)cc1 ZINC000238240263 574006816 /nfs/dbraw/zinc/00/68/16/574006816.db2.gz YAKSXPBCJBSSAW-UHFFFAOYSA-N 0 0 193.315 3.569 10 0 AHAERN CCCCC1=CCNc2ccccc21 ZINC000238240374 574006158 /nfs/dbraw/zinc/00/61/58/574006158.db2.gz KZINFPNSJFTFFW-UHFFFAOYSA-N 0 0 187.286 3.686 10 0 AHAERN CCC[C@@]1(C)CCc2ccccc2N1 ZINC000238240473 574014961 /nfs/dbraw/zinc/01/49/61/574014961.db2.gz DZYXFINTAWIXPG-ZDUSSCGKSA-N 0 0 189.302 3.604 10 0 AHAERN CCC[C@@]1(C)Nc2ccccc2S1 ZINC000238240712 572994694 /nfs/dbraw/zinc/99/46/94/572994694.db2.gz HRDKPMVGOPFKIX-NSHDSACASA-N 0 0 193.315 3.721 10 0 AHAERN CC=C=CC1(C)CCCCC1 ZINC000238241255 572996679 /nfs/dbraw/zinc/99/66/79/572996679.db2.gz IOXJGYDOEGAUDW-UHFFFAOYSA-N 0 0 150.265 3.688 10 0 AHAERN CCC[C@@H]1CC=C(OC2CC2)CC1 ZINC000238241710 572448587 /nfs/dbraw/zinc/44/85/87/572448587.db2.gz NPORLLYGVFCSLP-SNVBAGLBSA-N 0 0 180.291 3.650 10 0 AHAERN CCCCCc1c(C)[nH]c(C)c1C ZINC000238246577 572453451 /nfs/dbraw/zinc/45/34/51/572453451.db2.gz SQDPIVHVKPAOOW-UHFFFAOYSA-N 0 0 179.307 3.673 10 0 AHAERN CCCCSCNc1ccccc1 ZINC000238246830 572452785 /nfs/dbraw/zinc/45/27/85/572452785.db2.gz RPZUVIXJEBHELQ-UHFFFAOYSA-N 0 0 195.331 3.589 10 0 AHAERN CCCCC/C(=C/C(C)C)CCO ZINC000238246920 572453550 /nfs/dbraw/zinc/45/35/50/572453550.db2.gz GZTNLUSNNYQCQZ-BENRWUELSA-N 0 0 184.323 3.532 10 0 AHAERN C=C=C(CCCCC)[C@@H](O)C(C)(C)C ZINC000238247208 572453541 /nfs/dbraw/zinc/45/35/41/572453541.db2.gz PIHLTJJGFSHTOV-GFCCVEGCSA-N 0 0 196.334 3.685 10 0 AHAERN C=C=C(CCCCC)[C@H](O)C(C)(C)C ZINC000238247239 572452021 /nfs/dbraw/zinc/45/20/21/572452021.db2.gz PIHLTJJGFSHTOV-LBPRGKRZSA-N 0 0 196.334 3.685 10 0 AHAERN CCCCCc1cc(Cl)ccc1N ZINC000238247369 572454250 /nfs/dbraw/zinc/45/42/50/572454250.db2.gz CTTQRBQRZSOWHT-UHFFFAOYSA-N 0 0 197.709 3.655 10 0 AHAERN CCCC(=S)Nc1ccc(C)cc1 ZINC000238247480 574008640 /nfs/dbraw/zinc/00/86/40/574008640.db2.gz HFZIAOHVMLWIFA-UHFFFAOYSA-N 0 0 193.315 3.534 10 0 AHAERN CCCC(=S)Nc1cccc(C)c1 ZINC000238247524 574010706 /nfs/dbraw/zinc/01/07/06/574010706.db2.gz WBHVKPQXROOUAY-UHFFFAOYSA-N 0 0 193.315 3.534 10 0 AHAERN CCCC(=S)Nc1ccccc1C ZINC000238247546 574011503 /nfs/dbraw/zinc/01/15/03/574011503.db2.gz QNASXPBGIDLVTE-UHFFFAOYSA-N 0 0 193.315 3.534 10 0 AHAERN CCCC(C)(C)[C@@H]1CCC[C@@H](C)[C@@H]1O ZINC000238248453 573029177 /nfs/dbraw/zinc/02/91/77/573029177.db2.gz LOWKBRWOUQTCDC-UTUOFQBUSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC(C)(C)[C@@H]1CCC[C@H](C)[C@@H]1O ZINC000238248464 573031124 /nfs/dbraw/zinc/03/11/24/573031124.db2.gz LOWKBRWOUQTCDC-TUAOUCFPSA-N 0 0 198.350 3.610 10 0 AHAERN CCCCCc1ccc([C@@H](C)O)s1 ZINC000238248466 572455258 /nfs/dbraw/zinc/45/52/58/572455258.db2.gz ORTVEOJXVMIDGT-SECBINFHSA-N 0 0 198.331 3.534 10 0 AHAERN CCCC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](C)C1 ZINC000238248479 573027922 /nfs/dbraw/zinc/02/79/22/573027922.db2.gz MGRXMSUSHINCBG-QJPTWQEYSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC(C)(C)[C@@H]1CC[C@H](O)[C@@H](C)C1 ZINC000238248488 573028447 /nfs/dbraw/zinc/02/84/47/573028447.db2.gz MGRXMSUSHINCBG-TUAOUCFPSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC(C)(C)[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000238248505 573028606 /nfs/dbraw/zinc/02/86/06/573028606.db2.gz POGWSMDXNQILRQ-TUAOUCFPSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC(C)(C)[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000238248518 573027901 /nfs/dbraw/zinc/02/79/01/573027901.db2.gz POGWSMDXNQILRQ-UTUOFQBUSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC(C)(C)c1ccc(C)cc1O ZINC000238248790 573033644 /nfs/dbraw/zinc/03/36/44/573033644.db2.gz NQYKZUOJVSBBEK-UHFFFAOYSA-N 0 0 192.302 3.778 10 0 AHAERN CCCC(C)(C)c1ccc(O)cc1C ZINC000238248829 573036098 /nfs/dbraw/zinc/03/60/98/573036098.db2.gz UASORVOKLVRUDF-UHFFFAOYSA-N 0 0 192.302 3.778 10 0 AHAERN CCC[C@H]1Nc2ccccc2[C@@H]1CC ZINC000238249172 573033634 /nfs/dbraw/zinc/03/36/34/573033634.db2.gz QFRDBEVIWVLUHW-CMPLNLGQSA-N 0 0 189.302 3.774 10 0 AHAERN CCC[C@H]1Nc2ccccc2[C@H]1CC ZINC000238249196 573035364 /nfs/dbraw/zinc/03/53/64/573035364.db2.gz QFRDBEVIWVLUHW-ZYHUDNBSSA-N 0 0 189.302 3.774 10 0 AHAERN CCCC[C@@H]1c2ccccc2N[C@@H]1C ZINC000238249434 573036880 /nfs/dbraw/zinc/03/68/80/573036880.db2.gz CWKUAOBXKHCXRU-MNOVXSKESA-N 0 0 189.302 3.774 10 0 AHAERN CCCC[C@@H]1c2ccccc2N[C@H]1C ZINC000238249947 573033589 /nfs/dbraw/zinc/03/35/89/573033589.db2.gz CWKUAOBXKHCXRU-QWRGUYRKSA-N 0 0 189.302 3.774 10 0 AHAERN CC1=C(c2ccc(O)cc2)CCCC1 ZINC000238250120 573040241 /nfs/dbraw/zinc/04/02/41/573040241.db2.gz HDMUNGSNZZVJAN-UHFFFAOYSA-N 0 0 188.270 3.740 10 0 AHAERN CC1=C(c2ccccc2O)CCCC1 ZINC000238250832 573002209 /nfs/dbraw/zinc/00/22/09/573002209.db2.gz WGIYEZWSWXKWGO-UHFFFAOYSA-N 0 0 188.270 3.740 10 0 AHAERN CCCC[C@@H](C)CC(=O)CCC ZINC000238251906 572456902 /nfs/dbraw/zinc/45/69/02/572456902.db2.gz FTBSEHBDKCTUFT-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN CCCC[C@@H](C)CC/C=C(/C)CO ZINC000238252021 572456910 /nfs/dbraw/zinc/45/69/10/572456910.db2.gz FCTHKOZJNICLQF-ZGSOTFDTSA-N 0 0 184.323 3.532 10 0 AHAERN CCCC[C@@H](C)CCC(=O)CC ZINC000238252047 572459428 /nfs/dbraw/zinc/45/94/28/572459428.db2.gz YYXIYMJKWLXISI-SNVBAGLBSA-N 0 0 170.296 3.572 10 0 AHAERN CCC[C@@H](O)C(C)(CCC)CCC ZINC000238253689 572460196 /nfs/dbraw/zinc/46/01/96/572460196.db2.gz DFINULUPVDPJJB-LLVKDONJSA-N 0 0 186.339 3.754 10 0 AHAERN CCC[C@@H](O)C1=C(C)CCCC1(C)C ZINC000238254119 573019418 /nfs/dbraw/zinc/01/94/18/573019418.db2.gz JDSFVZWODKVXAB-LLVKDONJSA-N 0 0 196.334 3.674 10 0 AHAERN CCNc1cccc2cccc(C)c21 ZINC000238254774 573024347 /nfs/dbraw/zinc/02/43/47/573024347.db2.gz QNFJHQQVUNYGPE-UHFFFAOYSA-N 0 0 185.270 3.580 10 0 AHAERN CCC/C(C)=C\CC[C@H](O)CCC ZINC000238254866 572460012 /nfs/dbraw/zinc/46/00/12/572460012.db2.gz XILVEXVVFIGDKL-UCQJPZFISA-N 0 0 184.323 3.674 10 0 AHAERN CCCC[C@@H](C)c1cc(F)ccc1O ZINC000238255244 572456855 /nfs/dbraw/zinc/45/68/55/572456855.db2.gz RMTOEJFHSAUZBS-SECBINFHSA-N 0 0 196.265 3.825 10 0 AHAERN CCCC[C@@H](C)c1ccc(C)cc1O ZINC000238255274 572457096 /nfs/dbraw/zinc/45/70/96/572457096.db2.gz FLPQWRKJNAVNJR-LLVKDONJSA-N 0 0 192.302 3.994 10 0 AHAERN CCCC[C@@H](C)c1ccc(O)c(C)c1 ZINC000238255340 573511358 /nfs/dbraw/zinc/51/13/58/573511358.db2.gz PZFJQJKLOIEKME-SNVBAGLBSA-N 0 0 192.302 3.994 10 0 AHAERN CCCC[C@@H](C)c1ccc(O)cc1C ZINC000238255391 573510919 /nfs/dbraw/zinc/51/09/19/573510919.db2.gz HKJVBPSZTJJDBS-SNVBAGLBSA-N 0 0 192.302 3.994 10 0 AHAERN CCCC[C@@H](C)c1cccc(C)c1N ZINC000238255415 573518618 /nfs/dbraw/zinc/51/86/18/573518618.db2.gz ITPHAVOZVHGQKU-SNVBAGLBSA-N 0 0 191.318 3.871 10 0 AHAERN CCCC[C@@H](C)c1cccc(O)c1 ZINC000238255451 572457968 /nfs/dbraw/zinc/45/79/68/572457968.db2.gz QWWBEVWGROXLRD-SNVBAGLBSA-N 0 0 178.275 3.686 10 0 AHAERN CCCC[C@]1(CO)CCC[C@@H](CC)C1 ZINC000238256462 572465127 /nfs/dbraw/zinc/46/51/27/572465127.db2.gz NBQHYMNIJLBPND-OLZOCXBDSA-N 0 0 198.350 3.756 10 0 AHAERN CCCC[C@]1(CO)CCC[C@H](CC)C1 ZINC000238256471 572463716 /nfs/dbraw/zinc/46/37/16/572463716.db2.gz NBQHYMNIJLBPND-STQMWFEESA-N 0 0 198.350 3.756 10 0 AHAERN CCCC[C@@H](CC)/C(=C\Cl)OC ZINC000238256652 572464999 /nfs/dbraw/zinc/46/49/99/572464999.db2.gz LISOCQSEJZOZHX-NCXKZPMSSA-N 0 0 190.714 3.929 10 0 AHAERN CCC[C@H](C)[C@@H](C)c1ccc(N)cc1 ZINC000238257540 572468987 /nfs/dbraw/zinc/46/89/87/572468987.db2.gz GWEAZJDCXWIFHE-WDEREUQCSA-N 0 0 191.318 3.809 10 0 AHAERN CCC[C@@H](C)[C@@H](C)c1ccc(N)cc1 ZINC000238257775 572470591 /nfs/dbraw/zinc/47/05/91/572470591.db2.gz GWEAZJDCXWIFHE-GHMZBOCLSA-N 0 0 191.318 3.809 10 0 AHAERN CC[C@@H](C)/C=C/C=C(\C)C[C@H](C)CO ZINC000238258217 572470661 /nfs/dbraw/zinc/47/06/61/572470661.db2.gz VKZOCPRFYFCBGX-GWTUDZJWSA-N 0 0 196.334 3.554 10 0 AHAERN CCC[C@H](C)[C@H](C)c1ccc(N)cc1 ZINC000238259089 572474595 /nfs/dbraw/zinc/47/45/95/572474595.db2.gz GWEAZJDCXWIFHE-QWRGUYRKSA-N 0 0 191.318 3.809 10 0 AHAERN CCC[C@@H](C)[C@H](C)c1ccc(N)cc1 ZINC000238259154 572472402 /nfs/dbraw/zinc/47/24/02/572472402.db2.gz GWEAZJDCXWIFHE-MNOVXSKESA-N 0 0 191.318 3.809 10 0 AHAERN CCC[C@@H](O)[C@H](CC)CC=C(C)C ZINC000238259275 572473419 /nfs/dbraw/zinc/47/34/19/572473419.db2.gz MSBFHNDYTYUKTQ-VXGBXAGGSA-N 0 0 184.323 3.530 10 0 AHAERN CCCCC=CC=CC=CCC=O ZINC000238260108 572473633 /nfs/dbraw/zinc/47/36/33/572473633.db2.gz FWGOYHZMSWIEFJ-AQPMYLLTSA-N 0 0 178.275 3.917 10 0 AHAERN CCC[C@H](C)c1c(C)cc(C)cc1O ZINC000238260259 573054703 /nfs/dbraw/zinc/05/47/03/573054703.db2.gz KMVHSGZEYBREIZ-JTQLQIEISA-N 0 0 192.302 3.913 10 0 AHAERN CCC[C@H](C)c1ccc(C)c(O)c1 ZINC000238260436 573042687 /nfs/dbraw/zinc/04/26/87/573042687.db2.gz UCBAFLGDXYNYIP-VIFPVBQESA-N 0 0 178.275 3.604 10 0 AHAERN CCC[C@@H](C)c1c(C)cc(C)cc1O ZINC000238260452 573038608 /nfs/dbraw/zinc/03/86/08/573038608.db2.gz KMVHSGZEYBREIZ-SNVBAGLBSA-N 0 0 192.302 3.913 10 0 AHAERN CCC[C@H](C)c1ccc(N)c(Cl)c1 ZINC000238260468 573041818 /nfs/dbraw/zinc/04/18/18/573041818.db2.gz PUWFUTWKDDPEMG-QMMMGPOBSA-N 0 0 197.709 3.826 10 0 AHAERN CCC[C@H](C)c1ccc(N)cc1Cl ZINC000238260505 573042567 /nfs/dbraw/zinc/04/25/67/573042567.db2.gz QYAVJLLWDLIYQL-QMMMGPOBSA-N 0 0 197.709 3.826 10 0 AHAERN CCC[C@H](C)c1ccc([C@@H](C)O)cc1 ZINC000238260638 572472153 /nfs/dbraw/zinc/47/21/53/572472153.db2.gz SWYBSOCVQPTOOB-WDEREUQCSA-N 0 0 192.302 3.644 10 0 AHAERN CCC[C@H](C)c1ccc([C@H](C)O)cc1 ZINC000238260646 572472378 /nfs/dbraw/zinc/47/23/78/572472378.db2.gz SWYBSOCVQPTOOB-QWRGUYRKSA-N 0 0 192.302 3.644 10 0 AHAERN CCC[C@H](O)C(C)(CCC)CCC ZINC000238260668 572472035 /nfs/dbraw/zinc/47/20/35/572472035.db2.gz DFINULUPVDPJJB-NSHDSACASA-N 0 0 186.339 3.754 10 0 AHAERN CCC[C@@H](O)/C=C(/C)CCC=C(C)C ZINC000238261094 572476093 /nfs/dbraw/zinc/47/60/93/572476093.db2.gz AJBXSXYNURBOAX-KXXVWKPMSA-N 0 0 196.334 3.840 10 0 AHAERN CCC[C@@H](C)c1ccc([C@@H](C)O)cc1 ZINC000238261666 572483329 /nfs/dbraw/zinc/48/33/29/572483329.db2.gz SWYBSOCVQPTOOB-GHMZBOCLSA-N 0 0 192.302 3.644 10 0 AHAERN CCC[C@@H](C)c1ccc([C@H](C)O)cc1 ZINC000238261676 572483060 /nfs/dbraw/zinc/48/30/60/572483060.db2.gz SWYBSOCVQPTOOB-MNOVXSKESA-N 0 0 192.302 3.644 10 0 AHAERN CCC/C(C)=C\CC[C@@H](O)CCC ZINC000238261724 572483332 /nfs/dbraw/zinc/48/33/32/572483332.db2.gz XILVEXVVFIGDKL-MMRAYRKESA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@@H]1CCC[C@@H]1c1ccc(O)cc1 ZINC000238262238 573052941 /nfs/dbraw/zinc/05/29/41/573052941.db2.gz FZSXVZOUCYPDDD-MFKMUULPSA-N 0 0 190.286 3.686 10 0 AHAERN CCCCc1cc(CC(C)C)c[nH]1 ZINC000238262383 573546290 /nfs/dbraw/zinc/54/62/90/573546290.db2.gz COJPCLUJKYZLNI-UHFFFAOYSA-N 0 0 179.307 3.556 10 0 AHAERN CCCCc1cc(Cl)c(C)cc1O ZINC000238262520 351819449 /nfs/dbraw/zinc/81/94/49/351819449.db2.gz BHVONHDEXKXDAC-UHFFFAOYSA-N 0 0 198.693 3.697 10 0 AHAERN CCCCc1cc(N)sc1CCC ZINC000238262700 572480207 /nfs/dbraw/zinc/48/02/07/572480207.db2.gz UNRSVSPIWLKARD-UHFFFAOYSA-N 0 0 197.347 3.625 10 0 AHAERN CC[C@@H](C)CCCCCC[C@@H](C)O ZINC000238262863 573548071 /nfs/dbraw/zinc/54/80/71/573548071.db2.gz XWOZJEDDHHTPQZ-VXGBXAGGSA-N 0 0 186.339 3.754 10 0 AHAERN CC[C@@H](C)CCCCCC[C@H](C)O ZINC000238262869 572479182 /nfs/dbraw/zinc/47/91/82/572479182.db2.gz XWOZJEDDHHTPQZ-NEPJUHHUSA-N 0 0 186.339 3.754 10 0 AHAERN CC[C@@H]1CCC[C@H]1c1ccc(O)cc1 ZINC000238262875 573060499 /nfs/dbraw/zinc/06/04/99/573060499.db2.gz FZSXVZOUCYPDDD-ZWNOBZJWSA-N 0 0 190.286 3.686 10 0 AHAERN CC[C@@H]1CCCc2c(O)ccc(C)c21 ZINC000238263035 573061014 /nfs/dbraw/zinc/06/10/14/573061014.db2.gz NRMDXVBCYHMIJG-SNVBAGLBSA-N 0 0 190.286 3.531 10 0 AHAERN CCC[C@H](O)[C@@H](CC)CC=C(C)C ZINC000238263302 572479686 /nfs/dbraw/zinc/47/96/86/572479686.db2.gz MSBFHNDYTYUKTQ-RYUDHWBXSA-N 0 0 184.323 3.530 10 0 AHAERN CC[C@@H](C)CC[C@@H](O)CCC(C)C ZINC000238263324 572484984 /nfs/dbraw/zinc/48/49/84/572484984.db2.gz COWYLRQKLBLGQY-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H](C)CC[C@H](O)CCC(C)C ZINC000238263417 572482476 /nfs/dbraw/zinc/48/24/76/572482476.db2.gz COWYLRQKLBLGQY-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H](C)CCc1ccc(O)c(C)c1 ZINC000238263451 572482826 /nfs/dbraw/zinc/48/28/26/572482826.db2.gz JPWHMDYXRJXKBV-SNVBAGLBSA-N 0 0 192.302 3.679 10 0 AHAERN CC[C@@H](C)CCc1ccc(O)cc1C ZINC000238263464 573549541 /nfs/dbraw/zinc/54/95/41/573549541.db2.gz XNYLPVHIPHCRSL-SNVBAGLBSA-N 0 0 192.302 3.679 10 0 AHAERN CCC[C@]1(C)CCc2ccccc2N1 ZINC000238263584 573060621 /nfs/dbraw/zinc/06/06/21/573060621.db2.gz DZYXFINTAWIXPG-CYBMUJFWSA-N 0 0 189.302 3.604 10 0 AHAERN CCC[C@]1(C)Nc2ccccc2S1 ZINC000238263717 573066939 /nfs/dbraw/zinc/06/69/39/573066939.db2.gz HRDKPMVGOPFKIX-LLVKDONJSA-N 0 0 193.315 3.721 10 0 AHAERN CC[C@@H](C)[C@@H](C)Cc1sccc1N ZINC000238263924 351819615 /nfs/dbraw/zinc/81/96/15/351819615.db2.gz KRAYTCWPOHVJDE-BDAKNGLRSA-N 0 0 197.347 3.555 10 0 AHAERN CC[C@@H]1CC[C@@H](C)[C@@H](CC)C1 ZINC000238264130 573063417 /nfs/dbraw/zinc/06/34/17/573063417.db2.gz IOHRVVBGMVEXIN-MXWKQRLJSA-N 0 0 154.297 3.859 10 0 AHAERN CCC[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C ZINC000238264189 573065913 /nfs/dbraw/zinc/06/59/13/573065913.db2.gz UOSHYZWGPFKUGM-NTZNESFSSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@H](C)c1ccccc1O ZINC000238264343 573064392 /nfs/dbraw/zinc/06/43/92/573064392.db2.gz REOWSEMVSDNZOA-UWVGGRQHSA-N 0 0 178.275 3.542 10 0 AHAERN CCC[C@H](O)[C@H](CC)CC=C(C)C ZINC000238264492 572485707 /nfs/dbraw/zinc/48/57/07/572485707.db2.gz MSBFHNDYTYUKTQ-NEPJUHHUSA-N 0 0 184.323 3.530 10 0 AHAERN CC/C(C)=C\CC[C@@H](CC)CCO ZINC000238264520 572488087 /nfs/dbraw/zinc/48/80/87/572488087.db2.gz HLHWGZRCSYBCAS-SEVUFMINSA-N 0 0 184.323 3.532 10 0 AHAERN CC[C@@H]1CC[C@H](C)[C@@H](CC)C1 ZINC000238265413 573066599 /nfs/dbraw/zinc/06/65/99/573066599.db2.gz IOHRVVBGMVEXIN-AXFHLTTASA-N 0 0 154.297 3.859 10 0 AHAERN CC[C@@H](C)[C@@H](C)c1ccccc1O ZINC000238265812 573068837 /nfs/dbraw/zinc/06/88/37/573068837.db2.gz REOWSEMVSDNZOA-NXEZZACHSA-N 0 0 178.275 3.542 10 0 AHAERN CCC[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C ZINC000238266059 573068670 /nfs/dbraw/zinc/06/86/70/573068670.db2.gz UOSHYZWGPFKUGM-MDZLAQPJSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](O)/C=C(/C)CCC=C(C)C ZINC000238266229 572489751 /nfs/dbraw/zinc/48/97/51/572489751.db2.gz AJBXSXYNURBOAX-UKVQZPPCSA-N 0 0 196.334 3.840 10 0 AHAERN CCC[C@H]1CC=C(OC(C)C)CC1 ZINC000238266395 572491725 /nfs/dbraw/zinc/49/17/25/572491725.db2.gz AFTSKYPAKGIMSZ-NSHDSACASA-N 0 0 182.307 3.896 10 0 AHAERN CCCc1c(C)cc(O)c(Cl)c1C ZINC000238269156 573073984 /nfs/dbraw/zinc/07/39/84/573073984.db2.gz RAHXBRQTRJBHBF-UHFFFAOYSA-N 0 0 198.693 3.615 10 0 AHAERN 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/nfs/dbraw/zinc/50/30/38/572503038.db2.gz AFTSKYPAKGIMSZ-LLVKDONJSA-N 0 0 182.307 3.896 10 0 AHAERN CC[C@@H]1C[C@@H](CC)c2ccccc2N1 ZINC000238272969 573093399 /nfs/dbraw/zinc/09/33/99/573093399.db2.gz HJMCMNJRWCCUSH-GHMZBOCLSA-N 0 0 189.302 3.774 10 0 AHAERN CC[C@@H](C)Cc1cc(Cl)ccc1O ZINC000238273169 573090187 /nfs/dbraw/zinc/09/01/87/573090187.db2.gz HSXMTAGYCLIZCP-MRVPVSSYSA-N 0 0 198.693 3.634 10 0 AHAERN CC[C@@H]1C[C@H](CC)c2ccccc2N1 ZINC000238273446 573093422 /nfs/dbraw/zinc/09/34/22/573093422.db2.gz HJMCMNJRWCCUSH-WDEREUQCSA-N 0 0 189.302 3.774 10 0 AHAERN CCc1ccc(Cl)c(SC)c1 ZINC000238274286 573059283 /nfs/dbraw/zinc/05/92/83/573059283.db2.gz DFDDEOWFBJYCKV-UHFFFAOYSA-N 0 0 186.707 3.624 10 0 AHAERN CCc1ccc(Cl)c2cnsc21 ZINC000238274798 573060048 /nfs/dbraw/zinc/06/00/48/573060048.db2.gz INTGGMXMIOZJBO-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CCc1ccc(Cl)c2sncc21 ZINC000238274897 573060740 /nfs/dbraw/zinc/06/07/40/573060740.db2.gz ADIQMSSVGYPVIH-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CCc1ccc(Cl)cc1SC ZINC000238275167 573090415 /nfs/dbraw/zinc/09/04/15/573090415.db2.gz HUSIWHVGFWYVBP-UHFFFAOYSA-N 0 0 186.707 3.624 10 0 AHAERN CC[C@@](C)(c1ccc(N)cc1)C(C)C ZINC000238275315 573089203 /nfs/dbraw/zinc/08/92/03/573089203.db2.gz PTTGAXYMFFSCEC-CYBMUJFWSA-N 0 0 191.318 3.593 10 0 AHAERN CC[C@@](C)(c1ccc(O)cc1)C(C)C ZINC000238275326 573089232 /nfs/dbraw/zinc/08/92/32/573089232.db2.gz CMKMVAVWKWMNDA-CYBMUJFWSA-N 0 0 192.302 3.716 10 0 AHAERN CCCc1cc(CC)cc(Cl)c1O ZINC000238275824 573089904 /nfs/dbraw/zinc/08/99/04/573089904.db2.gz IKJPYAPXDKUFFS-UHFFFAOYSA-N 0 0 198.693 3.561 10 0 AHAERN CCCc1cc(CCC)c(CCC)[nH]1 ZINC000238275951 573099136 /nfs/dbraw/zinc/09/91/36/573099136.db2.gz MZXIFROELVCKRN-UHFFFAOYSA-N 0 0 193.334 3.872 10 0 AHAERN CC1(C)C[C@@]12CC(C)(C)/C2=C/Cl ZINC000238277132 573098785 /nfs/dbraw/zinc/09/87/85/573098785.db2.gz RSGAYCDRPRUBJM-UIJKISKDSA-N 0 0 184.710 3.955 10 0 AHAERN CC1(C)C[C@]12CC(C)(C)/C2=C/Cl ZINC000238277141 573097374 /nfs/dbraw/zinc/09/73/74/573097374.db2.gz RSGAYCDRPRUBJM-OFSNVTPPSA-N 0 0 184.710 3.955 10 0 AHAERN CCc1ccc(F)c2ccsc21 ZINC000238277169 573098922 /nfs/dbraw/zinc/09/89/22/573098922.db2.gz LVCJJTPIKGODAP-UHFFFAOYSA-N 0 0 180.247 3.603 10 0 AHAERN CCc1ccc(F)c2sccc21 ZINC000238277277 573096246 /nfs/dbraw/zinc/09/62/46/573096246.db2.gz VVCGZXSYIARXHT-UHFFFAOYSA-N 0 0 180.247 3.603 10 0 AHAERN CC[C@H](C)c1c(C)[nH]c2ccccc21 ZINC000238277846 573102574 /nfs/dbraw/zinc/10/25/74/573102574.db2.gz LTYDHVRBRZQNFM-VIFPVBQESA-N 0 0 187.286 3.990 10 0 AHAERN CC[C@@H]1Nc2cc(Cl)ccc2S1 ZINC000238278154 573099686 /nfs/dbraw/zinc/09/96/86/573099686.db2.gz SCHCXLBRBVLLML-SECBINFHSA-N 0 0 199.706 3.594 10 0 AHAERN CC[C@@H](O)[C@H](C)CCC1CCCCC1 ZINC000238278380 572509130 /nfs/dbraw/zinc/50/91/30/572509130.db2.gz JAMVOBZJEJHISC-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCc1cc(C)cc([C@@H](C)CC)c1N ZINC000238278653 573102899 /nfs/dbraw/zinc/10/28/99/573102899.db2.gz NNPZYWURJJMPRT-JTQLQIEISA-N 0 0 191.318 3.653 10 0 AHAERN CC[C@H](C)c1cc(C)cc(Cl)c1O ZINC000238278696 573101739 /nfs/dbraw/zinc/10/17/39/573101739.db2.gz XUSJXLUTQUZJAP-QMMMGPOBSA-N 0 0 198.693 3.868 10 0 AHAERN CC[C@H](C)c1cc(SC)ccc1O ZINC000238279349 573099762 /nfs/dbraw/zinc/09/97/62/573099762.db2.gz VHAHIBLEHSIJHF-QMMMGPOBSA-N 0 0 196.315 3.628 10 0 AHAERN CC/C(=C/CCCO)CCC=C(C)C ZINC000238279764 572514551 /nfs/dbraw/zinc/51/45/51/572514551.db2.gz IKRMRUBRDLODTO-LCYFTJDESA-N 0 0 196.334 3.842 10 0 AHAERN CC[C@@H]1C([Si](C)(C)C)=CC[C@@H]1C ZINC000238281822 573129523 /nfs/dbraw/zinc/12/95/23/573129523.db2.gz FEHSUWMODDIJKO-UWVGGRQHSA-N 0 0 182.383 3.856 10 0 AHAERN CC[C@](C)(Cl)Cc1ccccc1 ZINC000238282126 344798580 /nfs/dbraw/zinc/79/85/80/344798580.db2.gz RTLFBNGHPSGBAY-NSHDSACASA-N 0 0 182.694 3.637 10 0 AHAERN CCc1ccc(NC=C(C)C)cc1 ZINC000238282326 573130789 /nfs/dbraw/zinc/13/07/89/573130789.db2.gz VXORTSLMMMHGNG-UHFFFAOYSA-N 0 0 175.275 3.585 10 0 AHAERN CC[C@H](c1ccc(N)cc1)C(C)(C)C ZINC000238282962 573131611 /nfs/dbraw/zinc/13/16/11/573131611.db2.gz VPYBQXHFJKEWPC-GFCCVEGCSA-N 0 0 191.318 3.809 10 0 AHAERN CCc1ccc(O)c(CCC(C)C)c1 ZINC000238282982 572518113 /nfs/dbraw/zinc/51/81/13/572518113.db2.gz HYINHNCMFHISLW-UHFFFAOYSA-N 0 0 192.302 3.543 10 0 AHAERN CCCc1ccc(SC)c(C)c1 ZINC000238283815 573136248 /nfs/dbraw/zinc/13/62/48/573136248.db2.gz ZAJZAXTVNNQVCP-UHFFFAOYSA-N 0 0 180.316 3.669 10 0 AHAERN CCCc1ccc(SC)c(F)c1 ZINC000238283894 573136189 /nfs/dbraw/zinc/13/61/89/573136189.db2.gz RUPYTDZZIVYKBO-UHFFFAOYSA-N 0 0 184.279 3.500 10 0 AHAERN CCCc1ccc(SC)cc1C ZINC000238284010 573133031 /nfs/dbraw/zinc/13/30/31/573133031.db2.gz CJFWQBKQECNJMB-UHFFFAOYSA-N 0 0 180.316 3.669 10 0 AHAERN CCCc1ccc(SC)cc1F ZINC000238284158 573136828 /nfs/dbraw/zinc/13/68/28/573136828.db2.gz UKEJOSZXBCWONB-UHFFFAOYSA-N 0 0 184.279 3.500 10 0 AHAERN CC[C@@]12CCCC=C1Nc1ccccc12 ZINC000238284534 572522201 /nfs/dbraw/zinc/52/22/01/572522201.db2.gz XDXDCAQQEAHEDA-AWEZNQCLSA-N 0 0 199.297 3.828 10 0 AHAERN CCC[C@@H]1CCCc2ccccc2N1 ZINC000238285036 573106374 /nfs/dbraw/zinc/10/63/74/573106374.db2.gz IVZBBFFZWJOCLT-GFCCVEGCSA-N 0 0 189.302 3.604 10 0 AHAERN CC[C@](C)(c1ccc(N)cc1)C(C)C ZINC000238286920 573112056 /nfs/dbraw/zinc/11/20/56/573112056.db2.gz PTTGAXYMFFSCEC-ZDUSSCGKSA-N 0 0 191.318 3.593 10 0 AHAERN CC[C@@H]1C([Si](C)(C)C)=CC[C@H]1C ZINC000238286929 573114740 /nfs/dbraw/zinc/11/47/40/573114740.db2.gz FEHSUWMODDIJKO-ZJUUUORDSA-N 0 0 182.383 3.856 10 0 AHAERN CC[C@](C)(c1ccc(O)cc1)C(C)C ZINC000238286931 573112032 /nfs/dbraw/zinc/11/20/32/573112032.db2.gz CMKMVAVWKWMNDA-ZDUSSCGKSA-N 0 0 192.302 3.716 10 0 AHAERN CCc1c(C)[nH]c(C)c1-c1ccccc1 ZINC000238286939 573113441 /nfs/dbraw/zinc/11/34/41/573113441.db2.gz PXKJRMCTDQBSCR-UHFFFAOYSA-N 0 0 199.297 3.861 10 0 AHAERN CCc1ccc2c(c1)C(C)(C)C=C2 ZINC000238287540 344798928 /nfs/dbraw/zinc/79/89/28/344798928.db2.gz VJZAMMSCPKWHPR-UHFFFAOYSA-N 0 0 172.271 3.553 10 0 AHAERN CCc1c(C)[nH]c2cc(C)c(C)cc21 ZINC000238288257 573118542 /nfs/dbraw/zinc/11/85/42/573118542.db2.gz CJUOJCUZUNIMPR-UHFFFAOYSA-N 0 0 187.286 3.656 10 0 AHAERN CCS[C@@H](C)c1cccc(C)c1O ZINC000238288390 573117910 /nfs/dbraw/zinc/11/79/10/573117910.db2.gz KJPKWIDSFCWMAY-VIFPVBQESA-N 0 0 196.315 3.515 10 0 AHAERN CCS[C@@H](C)c1ccccc1NC ZINC000238288414 573118937 /nfs/dbraw/zinc/11/89/37/573118937.db2.gz DDIIFVDGFXKGCB-VIFPVBQESA-N 0 0 195.331 3.542 10 0 AHAERN CCc1c(C)[nH]c2ccc(C)c(C)c21 ZINC000238288495 573116316 /nfs/dbraw/zinc/11/63/16/573116316.db2.gz FEWHOIYAPVVHTA-UHFFFAOYSA-N 0 0 187.286 3.656 10 0 AHAERN CCc1c(C)[nH]cc1-c1ccccc1 ZINC000238288688 573125537 /nfs/dbraw/zinc/12/55/37/573125537.db2.gz PGBMNAQPMKTHRZ-UHFFFAOYSA-N 0 0 185.270 3.553 10 0 AHAERN CCc1ccc(SC)c(CC)c1 ZINC000238289773 573139558 /nfs/dbraw/zinc/13/95/58/573139558.db2.gz LXVRUIPUUUXRHP-UHFFFAOYSA-N 0 0 180.316 3.533 10 0 AHAERN CCc1ccc(SC)c(Cl)c1 ZINC000238289790 573142195 /nfs/dbraw/zinc/14/21/95/573142195.db2.gz QYWZIZOBUAUMHP-UHFFFAOYSA-N 0 0 186.707 3.624 10 0 AHAERN CCc1ccc(SC)cc1CC ZINC000238289954 573148070 /nfs/dbraw/zinc/14/80/70/573148070.db2.gz WLFUBNQSMSSYQK-UHFFFAOYSA-N 0 0 180.316 3.533 10 0 AHAERN CCc1c(C)ccc(C(C)(C)C)c1O ZINC000238290689 573144165 /nfs/dbraw/zinc/14/41/65/573144165.db2.gz AQRSHVLKQIVYSK-UHFFFAOYSA-N 0 0 192.302 3.561 10 0 AHAERN CC[C@H](C)[C@@H](C)Cc1sccc1N ZINC000238290723 344798946 /nfs/dbraw/zinc/79/89/46/344798946.db2.gz KRAYTCWPOHVJDE-IUCAKERBSA-N 0 0 197.347 3.555 10 0 AHAERN CCS[C@H](C)c1cccc(C)c1O ZINC000238290754 573144342 /nfs/dbraw/zinc/14/43/42/573144342.db2.gz KJPKWIDSFCWMAY-SECBINFHSA-N 0 0 196.315 3.515 10 0 AHAERN CCS[C@H](C)c1ccccc1NC ZINC000238290765 573147965 /nfs/dbraw/zinc/14/79/65/573147965.db2.gz DDIIFVDGFXKGCB-SECBINFHSA-N 0 0 195.331 3.542 10 0 AHAERN CC[C@]1(C)C=C(C)c2ccccc2N1 ZINC000238290902 573146567 /nfs/dbraw/zinc/14/65/67/573146567.db2.gz LLBXQZLDULQZPS-CYBMUJFWSA-N 0 0 187.286 3.684 10 0 AHAERN CCc1c2sccc2ccc1C ZINC000238290916 573144528 /nfs/dbraw/zinc/14/45/28/573144528.db2.gz UMZWXCMDKLUBAK-UHFFFAOYSA-N 0 0 176.284 3.772 10 0 AHAERN CCc1c2ccsc2ccc1C ZINC000238291039 573146017 /nfs/dbraw/zinc/14/60/17/573146017.db2.gz HCWGJMWVSLEQNZ-UHFFFAOYSA-N 0 0 176.284 3.772 10 0 AHAERN CCc1[nH]c2cc(CC)ccc2c1C ZINC000238291735 573152418 /nfs/dbraw/zinc/15/24/18/573152418.db2.gz KVLXDJOSUMMBIM-UHFFFAOYSA-N 0 0 187.286 3.601 10 0 AHAERN CCc1ccc2c(c1)C=CC2(C)C ZINC000238291853 344798844 /nfs/dbraw/zinc/79/88/44/344798844.db2.gz HVFJIYKGPZAZKE-UHFFFAOYSA-N 0 0 172.271 3.553 10 0 AHAERN CC[C@@](C)(Cl)Cc1ccccc1 ZINC000238291896 344798893 /nfs/dbraw/zinc/79/88/93/344798893.db2.gz RTLFBNGHPSGBAY-LLVKDONJSA-N 0 0 182.694 3.637 10 0 AHAERN CC[C@]1(Nc2ccccc2)C=CC=CC1 ZINC000238292414 572530005 /nfs/dbraw/zinc/53/00/05/572530005.db2.gz VKANIHQTVMFMFK-AWEZNQCLSA-N 0 0 199.297 3.763 10 0 AHAERN CCSc1c(C)[nH]c2ccccc21 ZINC000238292724 573150863 /nfs/dbraw/zinc/15/08/63/573150863.db2.gz IDKDCNDPJCBVEI-UHFFFAOYSA-N 0 0 191.299 3.588 10 0 AHAERN CCc1ccc2ccsc2c1F ZINC000238292747 573150063 /nfs/dbraw/zinc/15/00/63/573150063.db2.gz KWRBSRFPPITOJG-UHFFFAOYSA-N 0 0 180.247 3.603 10 0 AHAERN CC[C@H](C)[C@@H](C)c1ccccc1O ZINC000238292862 573155322 /nfs/dbraw/zinc/15/53/22/573155322.db2.gz REOWSEMVSDNZOA-VHSXEESVSA-N 0 0 178.275 3.542 10 0 AHAERN CCc1ccc2cnsc2c1Cl ZINC000238293003 573159799 /nfs/dbraw/zinc/15/97/99/573159799.db2.gz SCKOHGGSNGPNNM-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CC[C@H](CC(C)C)c1ccc(N)cc1 ZINC000238294173 572534428 /nfs/dbraw/zinc/53/44/28/572534428.db2.gz MSNHUUWKKOYQNG-LLVKDONJSA-N 0 0 191.318 3.809 10 0 AHAERN CC[C@H](CC(C)C)c1sccc1N ZINC000238294193 344799493 /nfs/dbraw/zinc/79/94/93/344799493.db2.gz TZTSINBJJNZDDW-SECBINFHSA-N 0 0 197.347 3.870 10 0 AHAERN CCc1ccc2sccc2c1C ZINC000238294446 573155685 /nfs/dbraw/zinc/15/56/85/573155685.db2.gz PSASVFXAOHSRLN-UHFFFAOYSA-N 0 0 176.284 3.772 10 0 AHAERN CCc1ccc2sccc2c1F ZINC000238294508 573158647 /nfs/dbraw/zinc/15/86/47/573158647.db2.gz MVNNNDHCCRDWMM-UHFFFAOYSA-N 0 0 180.247 3.603 10 0 AHAERN CCc1ccc2sncc2c1Cl ZINC000238294630 573161049 /nfs/dbraw/zinc/16/10/49/573161049.db2.gz FTACNTYGCCEUIN-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CCSc1cc(CC)cc(CC)c1 ZINC000238295765 572538705 /nfs/dbraw/zinc/53/87/05/572538705.db2.gz FAPNKOBMRMWNRX-UHFFFAOYSA-N 0 0 194.343 3.923 10 0 AHAERN CCSc1cc(CC)ccc1CC ZINC000238295899 572537742 /nfs/dbraw/zinc/53/77/42/572537742.db2.gz UOEJLKFWHYWIAZ-UHFFFAOYSA-N 0 0 194.343 3.923 10 0 AHAERN CCc1[nH]c(C)c(-c2ccccc2)c1C ZINC000238296109 572536047 /nfs/dbraw/zinc/53/60/47/572536047.db2.gz UEPBAPUFPCVDBE-UHFFFAOYSA-N 0 0 199.297 3.861 10 0 AHAERN CCc1[nH]c2cc(Cl)ccc2c1C ZINC000238296469 573164083 /nfs/dbraw/zinc/16/40/83/573164083.db2.gz SVRDNGUAQLYGLF-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCc1c(Cl)cccc1SC ZINC000238296484 573166545 /nfs/dbraw/zinc/16/65/45/573166545.db2.gz MNCVKLKMEPRMMB-UHFFFAOYSA-N 0 0 186.707 3.624 10 0 AHAERN CCSc1cc(F)ccc1CC ZINC000238296587 573165033 /nfs/dbraw/zinc/16/50/33/573165033.db2.gz IFFWIXPFFUQFHJ-UHFFFAOYSA-N 0 0 184.279 3.500 10 0 AHAERN CCc1[nH]c2cccc(Cl)c2c1C ZINC000238296599 573163930 /nfs/dbraw/zinc/16/39/30/573163930.db2.gz SQGVLWMLEJLYHP-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCSc1cc(F)ccc1Cl ZINC000238296616 573164013 /nfs/dbraw/zinc/16/40/13/573164013.db2.gz XXUXBOIVDYYSMW-UHFFFAOYSA-N 0 0 190.670 3.591 10 0 AHAERN CC[C@@H](c1ccc(N)cc1)C(C)(C)C ZINC000238296654 573164294 /nfs/dbraw/zinc/16/42/94/573164294.db2.gz VPYBQXHFJKEWPC-LBPRGKRZSA-N 0 0 191.318 3.809 10 0 AHAERN CC[C@H]1C([Si](C)(C)C)=CC[C@H]1C ZINC000238297539 573165462 /nfs/dbraw/zinc/16/54/62/573165462.db2.gz FEHSUWMODDIJKO-NXEZZACHSA-N 0 0 182.383 3.856 10 0 AHAERN CCc1c2sccc2ccc1F ZINC000238299812 573184190 /nfs/dbraw/zinc/18/41/90/573184190.db2.gz CEVUJBSCXWEYQH-UHFFFAOYSA-N 0 0 180.247 3.603 10 0 AHAERN CCc1c2ccsc2ccc1F ZINC000238299934 573188878 /nfs/dbraw/zinc/18/88/78/573188878.db2.gz XUICRPXUYAOVKX-UHFFFAOYSA-N 0 0 180.247 3.603 10 0 AHAERN CCSc1ccc(C)c(CC)c1 ZINC000238299955 573189051 /nfs/dbraw/zinc/18/90/51/573189051.db2.gz JYQGKPQWAPLHRL-UHFFFAOYSA-N 0 0 180.316 3.669 10 0 AHAERN CCSc1ccc(CC)c(C)c1 ZINC000238300489 573187305 /nfs/dbraw/zinc/18/73/05/573187305.db2.gz CUFJFJHVEXRRJC-UHFFFAOYSA-N 0 0 180.316 3.669 10 0 AHAERN CCSc1ccc(CC)c(CC)c1 ZINC000238300516 572544992 /nfs/dbraw/zinc/54/49/92/572544992.db2.gz PZZDOSGDZWVJMW-UHFFFAOYSA-N 0 0 194.343 3.923 10 0 AHAERN CCSc1ccc(CC)c(F)c1 ZINC000238300544 573188683 /nfs/dbraw/zinc/18/86/83/573188683.db2.gz LPMKCQCMFZBSTI-UHFFFAOYSA-N 0 0 184.279 3.500 10 0 AHAERN CCSc1ccc(F)c(CC)c1 ZINC000238301120 573190006 /nfs/dbraw/zinc/19/00/06/573190006.db2.gz UEMXCFQUTLJCMQ-UHFFFAOYSA-N 0 0 184.279 3.500 10 0 AHAERN CCc1c(N)cccc1C(C)(C)CC ZINC000238301506 573190970 /nfs/dbraw/zinc/19/09/70/573190970.db2.gz GBMVBCGWAGZGML-UHFFFAOYSA-N 0 0 191.318 3.519 10 0 AHAERN CC[C@H](C)[C@H](C)Cc1sccc1N ZINC000238302586 344799902 /nfs/dbraw/zinc/79/99/02/344799902.db2.gz KRAYTCWPOHVJDE-DTWKUNHWSA-N 0 0 197.347 3.555 10 0 AHAERN CCc1cccc(SC)c1CC ZINC000238302988 573170168 /nfs/dbraw/zinc/17/01/68/573170168.db2.gz CMIJBMFIVYXFEN-UHFFFAOYSA-N 0 0 180.316 3.533 10 0 AHAERN CCc1cccc(SC)c1Cl ZINC000238303027 573168560 /nfs/dbraw/zinc/16/85/60/573168560.db2.gz RIVMJZPXFJBCDF-UHFFFAOYSA-N 0 0 186.707 3.624 10 0 AHAERN CCSc1cccc(C)c1CC ZINC000238303471 573168134 /nfs/dbraw/zinc/16/81/34/573168134.db2.gz PVOKCSWEPWOPPM-UHFFFAOYSA-N 0 0 180.316 3.669 10 0 AHAERN CCSc1cccc(C)c1Cl ZINC000238303502 573170484 /nfs/dbraw/zinc/17/04/84/573170484.db2.gz PXLSZHXYTBEGTR-UHFFFAOYSA-N 0 0 186.707 3.760 10 0 AHAERN CCSc1cccc(CC)c1C ZINC000238303883 573174396 /nfs/dbraw/zinc/17/43/96/573174396.db2.gz IXFLDPQSUOXUCY-UHFFFAOYSA-N 0 0 180.316 3.669 10 0 AHAERN CCSc1cccc(CC)c1F ZINC000238304008 573173531 /nfs/dbraw/zinc/17/35/31/573173531.db2.gz LWNYMPOLJFDGCZ-UHFFFAOYSA-N 0 0 184.279 3.500 10 0 AHAERN CCSc1cccc(Cl)c1F ZINC000238304303 573173623 /nfs/dbraw/zinc/17/36/23/573173623.db2.gz CFOCXYISKYOWSN-UHFFFAOYSA-N 0 0 190.670 3.591 10 0 AHAERN CCSc1cccc(F)c1CC ZINC000238304411 573174474 /nfs/dbraw/zinc/17/44/74/573174474.db2.gz BORSYHQLCDFCCQ-UHFFFAOYSA-N 0 0 184.279 3.500 10 0 AHAERN CCSc1cccc(F)c1Cl ZINC000238304448 573176106 /nfs/dbraw/zinc/17/61/06/573176106.db2.gz FWOLJGVDSAKSFY-UHFFFAOYSA-N 0 0 190.670 3.591 10 0 AHAERN CC[C@H]1CCC[C@@H]1c1ccc(O)cc1 ZINC000238305024 573179928 /nfs/dbraw/zinc/17/99/28/573179928.db2.gz FZSXVZOUCYPDDD-GWCFXTLKSA-N 0 0 190.286 3.686 10 0 AHAERN CC[C@H](C)/C=C/C=C(\C)C[C@H](C)CO ZINC000238305032 572544310 /nfs/dbraw/zinc/54/43/10/572544310.db2.gz VKZOCPRFYFCBGX-JGJRZOTGSA-N 0 0 196.334 3.554 10 0 AHAERN CCc1cc2sccc2c(C)c1 ZINC000238305432 573182406 /nfs/dbraw/zinc/18/24/06/573182406.db2.gz UUWWZASCMLLLNX-UHFFFAOYSA-N 0 0 176.284 3.772 10 0 AHAERN CC[C@H]1CCC[C@H]1c1ccc(O)cc1 ZINC000238305853 573180763 /nfs/dbraw/zinc/18/07/63/573180763.db2.gz FZSXVZOUCYPDDD-GXFFZTMASA-N 0 0 190.286 3.686 10 0 AHAERN CC[C@H]1CCCc2c(O)ccc(C)c21 ZINC000238306066 573180673 /nfs/dbraw/zinc/18/06/73/573180673.db2.gz NRMDXVBCYHMIJG-JTQLQIEISA-N 0 0 190.286 3.531 10 0 AHAERN CC[C@H](O)CC1=CC[C@@H](C(C)C)CC1 ZINC000238306336 572548867 /nfs/dbraw/zinc/54/88/67/572548867.db2.gz DOLOZIQMQSHDKB-OLZOCXBDSA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H](O)CC1=CC[C@H](C(C)C)CC1 ZINC000238306344 572546877 /nfs/dbraw/zinc/54/68/77/572546877.db2.gz DOLOZIQMQSHDKB-STQMWFEESA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H](O)CCCCC1CCCCC1 ZINC000238306686 572547118 /nfs/dbraw/zinc/54/71/18/572547118.db2.gz CNBGXKFJSOVMPO-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCc1[nH]c2cccc(CC)c2c1C ZINC000238307058 573214274 /nfs/dbraw/zinc/21/42/74/573214274.db2.gz CLEIGNQSBBYSBR-UHFFFAOYSA-N 0 0 187.286 3.601 10 0 AHAERN CCc1[nH]c2c(cccc2CC)c1C ZINC000238307306 573214225 /nfs/dbraw/zinc/21/42/25/573214225.db2.gz OPYMUGOKDAQQIT-UHFFFAOYSA-N 0 0 187.286 3.601 10 0 AHAERN CCc1c(C)[nH]c2c1cccc2CC ZINC000238307428 573214064 /nfs/dbraw/zinc/21/40/64/573214064.db2.gz CIZUTQXWCJPZSE-UHFFFAOYSA-N 0 0 187.286 3.601 10 0 AHAERN CC[C@H](C)C(C)(C)c1ccc(N)cc1 ZINC000238307883 573219387 /nfs/dbraw/zinc/21/93/87/573219387.db2.gz VZOWCJVSMSREEV-JTQLQIEISA-N 0 0 191.318 3.593 10 0 AHAERN CCc1cc2sncc2c(Cl)c1 ZINC000238308359 573216199 /nfs/dbraw/zinc/21/61/99/573216199.db2.gz ZSZJLDWQGTWGIV-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CCc1cc2cnsc2c(Cl)c1 ZINC000238308479 573217887 /nfs/dbraw/zinc/21/78/87/573217887.db2.gz JDBYIHNLVZOIAG-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CCc1cc2ccsc2c(F)c1 ZINC000238308945 573219097 /nfs/dbraw/zinc/21/90/97/573219097.db2.gz ONDVFDWZJMSIOE-UHFFFAOYSA-N 0 0 180.247 3.603 10 0 AHAERN CC[C@H](C)CCCCCC[C@@H](C)O ZINC000238309590 572547919 /nfs/dbraw/zinc/54/79/19/572547919.db2.gz XWOZJEDDHHTPQZ-NWDGAFQWSA-N 0 0 186.339 3.754 10 0 AHAERN CC[C@H](C)CCCCCC[C@H](C)O ZINC000238309596 572548210 /nfs/dbraw/zinc/54/82/10/572548210.db2.gz XWOZJEDDHHTPQZ-RYUDHWBXSA-N 0 0 186.339 3.754 10 0 AHAERN CC[C@H](O)[C@@H](C)CCC1CCCCC1 ZINC000238309860 573702528 /nfs/dbraw/zinc/70/25/28/573702528.db2.gz JAMVOBZJEJHISC-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)CC[C@@H](O)CCC(C)C ZINC000238310185 572547339 /nfs/dbraw/zinc/54/73/39/572547339.db2.gz COWYLRQKLBLGQY-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](C)CC[C@H](O)CCC(C)C ZINC000238310394 572548540 /nfs/dbraw/zinc/54/85/40/572548540.db2.gz COWYLRQKLBLGQY-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](C)CCc1ccc(O)c(C)c1 ZINC000238310449 572548781 /nfs/dbraw/zinc/54/87/81/572548781.db2.gz JPWHMDYXRJXKBV-JTQLQIEISA-N 0 0 192.302 3.679 10 0 AHAERN CC[C@H](C)CCc1ccc(O)cc1C ZINC000238310467 572547949 /nfs/dbraw/zinc/54/79/49/572547949.db2.gz XNYLPVHIPHCRSL-JTQLQIEISA-N 0 0 192.302 3.679 10 0 AHAERN CNc1ccc(C2=CCCCC2)cc1 ZINC000238312833 573206398 /nfs/dbraw/zinc/20/63/98/573206398.db2.gz DSNZJMLAVABSMT-UHFFFAOYSA-N 0 0 187.286 3.686 10 0 AHAERN CC[C@H](O)[C@H](C)CCC1CCCCC1 ZINC000238312841 572548787 /nfs/dbraw/zinc/54/87/87/572548787.db2.gz JAMVOBZJEJHISC-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H]1C[C@H](CC)Nc2ccccc21 ZINC000238314421 573240826 /nfs/dbraw/zinc/24/08/26/573240826.db2.gz HJMCMNJRWCCUSH-MNOVXSKESA-N 0 0 189.302 3.774 10 0 AHAERN CC[C@H]1C[C@H](CC)c2ccccc2N1 ZINC000238314812 573240759 /nfs/dbraw/zinc/24/07/59/573240759.db2.gz HJMCMNJRWCCUSH-QWRGUYRKSA-N 0 0 189.302 3.774 10 0 AHAERN CCc1cc2c(ccc(Cl)c2C)[nH]1 ZINC000238314964 573240399 /nfs/dbraw/zinc/24/03/99/573240399.db2.gz KCLHUMGROXAWGR-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CC[C@]12CCCC=C1Nc1ccccc12 ZINC000238314991 572557812 /nfs/dbraw/zinc/55/78/12/572557812.db2.gz XDXDCAQQEAHEDA-CQSZACIVSA-N 0 0 199.297 3.828 10 0 AHAERN CCc1cc2c(cc(Cl)cc2C)[nH]1 ZINC000238315118 573243325 /nfs/dbraw/zinc/24/33/25/573243325.db2.gz RZISKDCVCGOWCV-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCc1cc2c([nH]1)c(Cl)ccc2C ZINC000238315219 573242026 /nfs/dbraw/zinc/24/20/26/573242026.db2.gz GPWKTYPUYNYGDF-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCc1cc2c(ccc(C)c2Cl)[nH]1 ZINC000238315366 573242774 /nfs/dbraw/zinc/24/27/74/573242774.db2.gz SCZXUEWHTGWDDD-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCc1cc2c(ccc(F)c2Cl)[nH]1 ZINC000238315383 573243814 /nfs/dbraw/zinc/24/38/14/573243814.db2.gz HROKCWIDZMQJAY-UHFFFAOYSA-N 0 0 197.640 3.523 10 0 AHAERN CCc1cc2c(cc(C)cc2Cl)[nH]1 ZINC000238315465 573245098 /nfs/dbraw/zinc/24/50/98/573245098.db2.gz UGSWMSMAJKEEEP-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCc1cc2c(cc(F)cc2Cl)[nH]1 ZINC000238315482 573244657 /nfs/dbraw/zinc/24/46/57/573244657.db2.gz PEPPGMSVUKKLHW-UHFFFAOYSA-N 0 0 197.640 3.523 10 0 AHAERN CCc1cc2c([nH]1)c(C)ccc2Cl ZINC000238315544 573241492 /nfs/dbraw/zinc/24/14/92/573241492.db2.gz ODXBRSVPPFNYEL-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCc1cc2c([nH]1)c(F)ccc2Cl ZINC000238315574 573241424 /nfs/dbraw/zinc/24/14/24/573241424.db2.gz BPHXRYLTQQIBPT-UHFFFAOYSA-N 0 0 197.640 3.523 10 0 AHAERN CCc1cc2c(ccc(Cl)c2F)[nH]1 ZINC000238315723 573244352 /nfs/dbraw/zinc/24/43/52/573244352.db2.gz NJIDSZQEXILBSH-UHFFFAOYSA-N 0 0 197.640 3.523 10 0 AHAERN CCc1cc2c(cc(Cl)cc2F)[nH]1 ZINC000238315800 573244948 /nfs/dbraw/zinc/24/49/48/573244948.db2.gz XOBUNFMCORRCDG-UHFFFAOYSA-N 0 0 197.640 3.523 10 0 AHAERN CCc1cc2c([nH]1)c(Cl)ccc2F ZINC000238315868 573243025 /nfs/dbraw/zinc/24/30/25/573243025.db2.gz ROZKDRQIBVHAQE-UHFFFAOYSA-N 0 0 197.640 3.523 10 0 AHAERN CC[C@H](C[C@@H](C)CC)C[C@@H](O)CC ZINC000238316234 572554845 /nfs/dbraw/zinc/55/48/45/572554845.db2.gz SECIHJPAMOAYIL-TUAOUCFPSA-N 0 0 186.339 3.610 10 0 AHAERN CCc1cc2cc(C)c(Cl)cc2[nH]1 ZINC000238316746 573249280 /nfs/dbraw/zinc/24/92/80/573249280.db2.gz LFEQFTROLCFAJG-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCc1cc2cc(C)cc(Cl)c2[nH]1 ZINC000238316843 573249643 /nfs/dbraw/zinc/24/96/43/573249643.db2.gz XGYVKYOZALCWRR-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCc1cc2cc(Cl)c(C)cc2[nH]1 ZINC000238316999 573247184 /nfs/dbraw/zinc/24/71/84/573247184.db2.gz LAKDJTPGLMCTND-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCc1cc2cc(Cl)c(F)cc2[nH]1 ZINC000238317013 573248266 /nfs/dbraw/zinc/24/82/66/573248266.db2.gz MOSAPAKSDFKRDC-UHFFFAOYSA-N 0 0 197.640 3.523 10 0 AHAERN CCc1cc(C(C)C)cc(O)c1CC ZINC000238317026 573246037 /nfs/dbraw/zinc/24/60/37/573246037.db2.gz QUZBRJZZYOSITJ-UHFFFAOYSA-N 0 0 192.302 3.640 10 0 AHAERN CCc1cc2cc(Cl)cc(C)c2[nH]1 ZINC000238317077 573248710 /nfs/dbraw/zinc/24/87/10/573248710.db2.gz GIIHXFRCFCUJBG-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCc1cc2cc(Cl)cc(F)c2[nH]1 ZINC000238317099 573246837 /nfs/dbraw/zinc/24/68/37/573246837.db2.gz KLJKSZBNXZMHRR-UHFFFAOYSA-N 0 0 197.640 3.523 10 0 AHAERN CCc1cc2cc(F)c(Cl)cc2[nH]1 ZINC000238317187 573248462 /nfs/dbraw/zinc/24/84/62/573248462.db2.gz NASFRFKLCVFDTK-UHFFFAOYSA-N 0 0 197.640 3.523 10 0 AHAERN CCc1cc2cc(F)cc(Cl)c2[nH]1 ZINC000238317261 573248326 /nfs/dbraw/zinc/24/83/26/573248326.db2.gz GBNNFSQJVOWVQN-UHFFFAOYSA-N 0 0 197.640 3.523 10 0 AHAERN CCc1cc2ccc(C)c(Cl)c2[nH]1 ZINC000238317863 573253770 /nfs/dbraw/zinc/25/37/70/573253770.db2.gz NAYFDADZQDZZSL-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CCc1cc2ccc(Cl)c(C)c2[nH]1 ZINC000238317964 573254109 /nfs/dbraw/zinc/25/41/09/573254109.db2.gz DOUBQJTWYCGLKO-UHFFFAOYSA-N 0 0 193.677 3.692 10 0 AHAERN CC[C@H](C)C[C@H](CC)C[C@@H](O)CC ZINC000238317978 572554784 /nfs/dbraw/zinc/55/47/84/572554784.db2.gz SECIHJPAMOAYIL-SRVKXCTJSA-N 0 0 186.339 3.610 10 0 AHAERN CCc1cc2ccc(Cl)c(F)c2[nH]1 ZINC000238317984 573253308 /nfs/dbraw/zinc/25/33/08/573253308.db2.gz IFJAKIHQYAMQNL-UHFFFAOYSA-N 0 0 197.640 3.523 10 0 AHAERN CCc1cc2ccc(F)c(Cl)c2[nH]1 ZINC000238318082 573255227 /nfs/dbraw/zinc/25/52/27/573255227.db2.gz WKZMJLKFAGPMFB-UHFFFAOYSA-N 0 0 197.640 3.523 10 0 AHAERN CC[C@H]1Nc2cc(Cl)ccc2S1 ZINC000238318547 573251876 /nfs/dbraw/zinc/25/18/76/573251876.db2.gz SCHCXLBRBVLLML-VIFPVBQESA-N 0 0 199.706 3.594 10 0 AHAERN CCc1cc2ccnc(Cl)c2s1 ZINC000238318548 573253677 /nfs/dbraw/zinc/25/36/77/573253677.db2.gz DUWSLIYPZPFKKI-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CCc1cc2ccsc2cc1C ZINC000238318597 573254487 /nfs/dbraw/zinc/25/44/87/573254487.db2.gz WMLYTGPKHHOOHR-UHFFFAOYSA-N 0 0 176.284 3.772 10 0 AHAERN CCc1cc2ccsc2cc1F ZINC000238318645 573254677 /nfs/dbraw/zinc/25/46/77/573254677.db2.gz UPVDJMMDNSVLOH-UHFFFAOYSA-N 0 0 180.247 3.603 10 0 AHAERN CCc1cc2cnsc2cc1Cl ZINC000238318839 573255688 /nfs/dbraw/zinc/25/56/88/573255688.db2.gz ROHSKMSQCAEBNI-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CC[C@@]1(C)C=C(C)c2ccccc2N1 ZINC000238319224 573256553 /nfs/dbraw/zinc/25/65/53/573256553.db2.gz LLBXQZLDULQZPS-ZDUSSCGKSA-N 0 0 187.286 3.684 10 0 AHAERN CC[C@H](C)Cc1cc(Cl)ccc1O ZINC000238319411 573257058 /nfs/dbraw/zinc/25/70/58/573257058.db2.gz HSXMTAGYCLIZCP-QMMMGPOBSA-N 0 0 198.693 3.634 10 0 AHAERN CC[C@@]1(Nc2ccccc2)C=CC=CC1 ZINC000238320164 572558310 /nfs/dbraw/zinc/55/83/10/572558310.db2.gz VKANIHQTVMFMFK-CQSZACIVSA-N 0 0 199.297 3.763 10 0 AHAERN CCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000238320491 573222947 /nfs/dbraw/zinc/22/29/47/573222947.db2.gz KNPWUCSHKODFKJ-UHFFFAOYSA-N 0 0 187.286 3.656 10 0 AHAERN CCc1cc(C)cc2ccsc21 ZINC000238320546 573221613 /nfs/dbraw/zinc/22/16/13/573221613.db2.gz RIGZUVFIGSDWED-UHFFFAOYSA-N 0 0 176.284 3.772 10 0 AHAERN CCc1cnc(Cl)c2ccsc21 ZINC000238323668 573234326 /nfs/dbraw/zinc/23/43/26/573234326.db2.gz SIVRKPCFOFBKFP-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CCc1cnc(Cl)c2sccc21 ZINC000238323753 573232297 /nfs/dbraw/zinc/23/22/97/573232297.db2.gz NKOLSJGTQQQIQY-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CCc1cc(Cl)cc(SC)c1 ZINC000238326488 573259731 /nfs/dbraw/zinc/25/97/31/573259731.db2.gz WAYSJUNWZDAKFD-UHFFFAOYSA-N 0 0 186.707 3.624 10 0 AHAERN CCc1cc(Cl)cc2cnsc21 ZINC000238326903 573258854 /nfs/dbraw/zinc/25/88/54/573258854.db2.gz LJQXPEXSGRJSLC-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CCc1cc(Cl)cc2sncc21 ZINC000238326973 573260779 /nfs/dbraw/zinc/26/07/79/573260779.db2.gz HPEWVXXQBYECHJ-UHFFFAOYSA-N 0 0 197.690 3.512 10 0 AHAERN CNc1cc(C)ccc1[C@@H]1CC1(C)C ZINC000238327395 573264396 /nfs/dbraw/zinc/26/43/96/573264396.db2.gz VVIRUZNAGPBOEY-NSHDSACASA-N 0 0 189.302 3.550 10 0 AHAERN CNc1cc(C)ccc1[C@H]1CC1(C)C ZINC000238327404 573264599 /nfs/dbraw/zinc/26/45/99/573264599.db2.gz VVIRUZNAGPBOEY-LLVKDONJSA-N 0 0 189.302 3.550 10 0 AHAERN CNc1cc(C)ccc1-c1ccccc1 ZINC000238327423 572560232 /nfs/dbraw/zinc/56/02/32/572560232.db2.gz DZZQWQGFEHNSCR-UHFFFAOYSA-N 0 0 197.281 3.704 10 0 AHAERN CCc1cc(F)cc2ccsc21 ZINC000238330565 573277257 /nfs/dbraw/zinc/27/72/57/573277257.db2.gz CCICNBNGGWDAEQ-UHFFFAOYSA-N 0 0 180.247 3.603 10 0 AHAERN CCc1cc(F)cc2sccc21 ZINC000238330694 573278409 /nfs/dbraw/zinc/27/84/09/573278409.db2.gz VEJHVLZZSWPQDY-UHFFFAOYSA-N 0 0 180.247 3.603 10 0 AHAERN CO/C=C1/CCC[C@@H](C=C(C)C)C1 ZINC000238334098 573286330 /nfs/dbraw/zinc/28/63/30/573286330.db2.gz GUDUVVCLGPZPMZ-AWPPVZKDSA-N 0 0 180.291 3.673 10 0 AHAERN CO/C=C1/CCC[C@H](C=C(C)C)C1 ZINC000238334203 573289015 /nfs/dbraw/zinc/28/90/15/573289015.db2.gz GUDUVVCLGPZPMZ-ZGSOTFDTSA-N 0 0 180.291 3.673 10 0 AHAERN COc1cc(Cl)cc2ccccc21 ZINC000238334925 344801289 /nfs/dbraw/zinc/80/12/89/344801289.db2.gz UWYRQQYFRIBRJN-UHFFFAOYSA-N 0 0 192.645 3.502 10 0 AHAERN CCc1cc(O)c(C)cc1C(C)(C)C ZINC000238334965 573290415 /nfs/dbraw/zinc/29/04/15/573290415.db2.gz LCZVDBOGUWFMNU-UHFFFAOYSA-N 0 0 192.302 3.561 10 0 AHAERN COc1cc(Cl)cc2ccsc21 ZINC000238335002 573264836 /nfs/dbraw/zinc/26/48/36/573264836.db2.gz FUDKALLEKKHQIE-UHFFFAOYSA-N 0 0 198.674 3.563 10 0 AHAERN COc1cc(Cl)cc2sccc21 ZINC000238335365 573299758 /nfs/dbraw/zinc/29/97/58/573299758.db2.gz JMVDRVHBNMAGNM-UHFFFAOYSA-N 0 0 198.674 3.563 10 0 AHAERN COc1ccc(Cl)c2ccsc21 ZINC000238338592 573304014 /nfs/dbraw/zinc/30/40/14/573304014.db2.gz RPZYJXHTDVCYHK-UHFFFAOYSA-N 0 0 198.674 3.563 10 0 AHAERN COc1ccc(Cl)c2sccc21 ZINC000238339190 573303684 /nfs/dbraw/zinc/30/36/84/573303684.db2.gz KKLNFLLPPVQQEP-UHFFFAOYSA-N 0 0 198.674 3.563 10 0 AHAERN CNc1ccccc1C1CCCCC1 ZINC000238341360 573320610 /nfs/dbraw/zinc/32/06/10/573320610.db2.gz GCJYXGIVFGDALN-UHFFFAOYSA-N 0 0 189.302 3.776 10 0 AHAERN CNc1ccccc1SC(C)(C)C ZINC000238342798 573325445 /nfs/dbraw/zinc/32/54/45/573325445.db2.gz RTRGQZIHBNVZKT-UHFFFAOYSA-N 0 0 195.331 3.619 10 0 AHAERN CNc1csc2ccc(Cl)cc12 ZINC000238346723 573310238 /nfs/dbraw/zinc/31/02/38/573310238.db2.gz IAIONYSRGNPNEW-UHFFFAOYSA-N 0 0 197.690 3.596 10 0 AHAERN CCc1ccc(C(C)(C)C)c(O)c1C ZINC000238352940 573322885 /nfs/dbraw/zinc/32/28/85/573322885.db2.gz ISGNWZUCVFMZKU-UHFFFAOYSA-N 0 0 192.302 3.561 10 0 AHAERN CCc1ccc(C)c2ccc(C=O)cc12 ZINC000238356265 572608528 /nfs/dbraw/zinc/60/85/28/572608528.db2.gz HIJAVMXLSMSUKS-UHFFFAOYSA-N 0 0 198.265 3.523 10 0 AHAERN CCc1ccc(C)c2sccc21 ZINC000238356398 573341263 /nfs/dbraw/zinc/34/12/63/573341263.db2.gz LYHVSOILHSHDNQ-UHFFFAOYSA-N 0 0 176.284 3.772 10 0 AHAERN CCc1ccc(CC)c(SC)c1 ZINC000238360090 573330318 /nfs/dbraw/zinc/33/03/18/573330318.db2.gz HJDVZIWBKJKOPX-UHFFFAOYSA-N 0 0 180.316 3.533 10 0 AHAERN COc1c2c(C)csc2ccc1C ZINC000238365071 573351747 /nfs/dbraw/zinc/35/17/47/573351747.db2.gz LRVCKNNBOAQSRI-UHFFFAOYSA-N 0 0 192.283 3.527 10 0 AHAERN C[C@H]([C@@H](O)C(C)(C)C)C1CCCCC1 ZINC000238366837 573356195 /nfs/dbraw/zinc/35/61/95/573356195.db2.gz JVGCLKYZKLRTDT-CMPLNLGQSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@H]([C@H](O)C(C)(C)C)C1CCCCC1 ZINC000238366953 573352956 /nfs/dbraw/zinc/35/29/56/573352956.db2.gz JVGCLKYZKLRTDT-JQWIXIFHSA-N 0 0 198.350 3.610 10 0 AHAERN C/C(=C\C1CCCCC1)C[C@@H](C)CO ZINC000238369743 572633718 /nfs/dbraw/zinc/63/37/18/572633718.db2.gz DHFCGWPWSWBDBC-LMMOQWNQSA-N 0 0 196.334 3.532 10 0 AHAERN CC1=C(CC[C@@H](C)CO)CCC1(C)C ZINC000238370117 572636308 /nfs/dbraw/zinc/63/63/08/572636308.db2.gz KTIBLUABLFSUAG-SNVBAGLBSA-N 0 0 196.334 3.532 10 0 AHAERN COc1cc(C)cc2c(C)csc21 ZINC000238377134 573389517 /nfs/dbraw/zinc/38/95/17/573389517.db2.gz VVYQAFKCWVXCNK-UHFFFAOYSA-N 0 0 192.283 3.527 10 0 AHAERN COc1ccc2ccsc2c1Cl ZINC000238377143 573389667 /nfs/dbraw/zinc/38/96/67/573389667.db2.gz ZVJIAQVZECERSR-UHFFFAOYSA-N 0 0 198.674 3.563 10 0 AHAERN CSCc1cc2ccccc2s1 ZINC000238379533 573392796 /nfs/dbraw/zinc/39/27/96/573392796.db2.gz IFILVSYQPYKCNQ-UHFFFAOYSA-N 0 0 194.324 3.764 10 0 AHAERN CSc1ccc2c(c1)[nH]c(C)c2C ZINC000238381510 573410743 /nfs/dbraw/zinc/41/07/43/573410743.db2.gz CMUBTIAXJQUTSM-UHFFFAOYSA-N 0 0 191.299 3.507 10 0 AHAERN COc1sc2ccc(C)cc2c1C ZINC000238388824 573405882 /nfs/dbraw/zinc/40/58/82/573405882.db2.gz LFTYCAPNNNRSOA-UHFFFAOYSA-N 0 0 192.283 3.527 10 0 AHAERN C[C@@H](CC(C)(C)C)Nc1ccccc1 ZINC000238393017 573429052 /nfs/dbraw/zinc/42/90/52/573429052.db2.gz FBHAXXYVBZIPGS-NSHDSACASA-N 0 0 191.318 3.923 10 0 AHAERN COc1c2sccc2ccc1Cl ZINC000238393115 573429468 /nfs/dbraw/zinc/42/94/68/573429468.db2.gz GWDXVOPMTSTDOM-UHFFFAOYSA-N 0 0 198.674 3.563 10 0 AHAERN C[C@@H](CC(C)(C)C)c1ccc(N)cc1 ZINC000238393175 573429261 /nfs/dbraw/zinc/42/92/61/573429261.db2.gz QWUNCQVNDNZPTD-JTQLQIEISA-N 0 0 191.318 3.809 10 0 AHAERN COc1c2ccsc2ccc1Cl ZINC000238393576 573428497 /nfs/dbraw/zinc/42/84/97/573428497.db2.gz LYXXKMOEBFUXRQ-UHFFFAOYSA-N 0 0 198.674 3.563 10 0 AHAERN C[C@@H]1CCCC[C@H]1/C=C/Cl ZINC000238395494 573437136 /nfs/dbraw/zinc/43/71/36/573437136.db2.gz WTZMOQWJLQHFCW-BXELRRQVSA-N 0 0 158.672 3.565 10 0 AHAERN C=C(SC)c1c[nH]c2ccccc21 ZINC000238400606 573456218 /nfs/dbraw/zinc/45/62/18/573456218.db2.gz NVXXNRPZUROOIT-UHFFFAOYSA-N 0 0 189.283 3.502 10 0 AHAERN Cc1ccc(C[C@H](C)c2ccccc2)[nH]1 ZINC000238404320 572674148 /nfs/dbraw/zinc/67/41/48/572674148.db2.gz SPLVSKPQVSRARR-NSHDSACASA-N 0 0 199.297 3.669 10 0 AHAERN CSc1cc(C)c(O)cc1C(C)C ZINC000238404653 573462757 /nfs/dbraw/zinc/46/27/57/573462757.db2.gz TUYJWXRQXGLXRL-UHFFFAOYSA-N 0 0 196.315 3.546 10 0 AHAERN CSc1cc(C)cc(Cl)c1C ZINC000238404893 573464341 /nfs/dbraw/zinc/46/43/41/573464341.db2.gz UTZWDJZTVLIEBW-UHFFFAOYSA-N 0 0 186.707 3.679 10 0 AHAERN C/C(=C\Cl)[C@@H]1CCC[C@@H](C)C1 ZINC000238405049 573462408 /nfs/dbraw/zinc/46/24/08/573462408.db2.gz SZLCZNFKIPTVCC-LYIYLLCESA-N 0 0 172.699 3.955 10 0 AHAERN COc1cc2ccsc2cc1Cl ZINC000238405413 573464644 /nfs/dbraw/zinc/46/46/44/573464644.db2.gz PUUQUQHCNKDPFY-UHFFFAOYSA-N 0 0 198.674 3.563 10 0 AHAERN C=C/C=C/[C@@H](C)CC1CCCC1 ZINC000238408093 166141128 /nfs/dbraw/zinc/14/11/28/166141128.db2.gz AMDJUGLRBGFIJL-TZOMUSMUSA-N 0 0 164.292 3.945 10 0 AHAERN COc1cc2scc(C)c2cc1C ZINC000238408328 573493416 /nfs/dbraw/zinc/49/34/16/573493416.db2.gz SEUVZJLPTBASTQ-UHFFFAOYSA-N 0 0 192.283 3.527 10 0 AHAERN COc1cc2sccc2cc1Cl ZINC000238408454 573492754 /nfs/dbraw/zinc/49/27/54/573492754.db2.gz WXJKXFKAIIGZRE-UHFFFAOYSA-N 0 0 198.674 3.563 10 0 AHAERN CC(C)=CC[C@H](C)[C@@H](C)CC=O ZINC000238408654 572692289 /nfs/dbraw/zinc/69/22/89/572692289.db2.gz AVIRYXXKTUAHPS-IJUHFESZSA-N 0 0 168.280 3.687 10 0 AHAERN CC(C)=CC[C@H](C)[C@H](C)CC=O ZINC000238408750 572689356 /nfs/dbraw/zinc/68/93/56/572689356.db2.gz AVIRYXXKTUAHPS-IAYMVZNDSA-N 0 0 168.280 3.687 10 0 AHAERN C[C@@H](CC=C(F)F)c1ccc(O)cc1 ZINC000238408819 573470745 /nfs/dbraw/zinc/47/07/45/573470745.db2.gz XICSTQKPOZTFBB-QMMMGPOBSA-N 0 0 198.212 3.666 10 0 AHAERN Cc1ccc(O)c([C@H]2CCC[C@H]2C)c1 ZINC000238412425 573474747 /nfs/dbraw/zinc/47/47/47/573474747.db2.gz RHAMPUMWWHWZFG-MNOVXSKESA-N 0 0 190.286 3.604 10 0 AHAERN Cc1cc([C@H]2CCC[C@H]2C)ccc1O ZINC000238412451 573473525 /nfs/dbraw/zinc/47/35/25/573473525.db2.gz HCZDHMPQMZGHKN-SKDRFNHKSA-N 0 0 190.286 3.604 10 0 AHAERN CSc1ccc(CF)c(Cl)c1 ZINC000238413331 573477516 /nfs/dbraw/zinc/47/75/16/573477516.db2.gz MHPIXTXOYRLFET-UHFFFAOYSA-N 0 0 190.670 3.531 10 0 AHAERN CSc1ccc(CF)cc1Cl ZINC000238413568 573480236 /nfs/dbraw/zinc/48/02/36/573480236.db2.gz ABSLWJGAGFDEPM-UHFFFAOYSA-N 0 0 190.670 3.531 10 0 AHAERN C[C@@H]1CCC[C@@H](c2ccc(N)cc2)C1 ZINC000238415955 582552400 /nfs/dbraw/zinc/55/24/00/582552400.db2.gz JYOOJZFITUSIKY-ZYHUDNBSSA-N 0 0 189.302 3.563 10 0 AHAERN CSc1ccc(O)c(C=C(C)C)c1 ZINC000238417549 573499054 /nfs/dbraw/zinc/49/90/54/573499054.db2.gz ZBRDWSBDABMZGE-UHFFFAOYSA-N 0 0 194.299 3.537 10 0 AHAERN C/C(=C\Cl)[C@H]1CCC[C@@H](C)C1 ZINC000238417705 573498728 /nfs/dbraw/zinc/49/87/28/573498728.db2.gz SZLCZNFKIPTVCC-RXFWIBKSSA-N 0 0 172.699 3.955 10 0 AHAERN CSCCCCCc1ccccc1 ZINC000238419146 572701544 /nfs/dbraw/zinc/70/15/44/572701544.db2.gz UJACFFMTKAWWHZ-UHFFFAOYSA-N 0 0 194.343 3.762 10 0 AHAERN CC(C)=CCC[C@H](C)[C@@H](O)C=C(C)C ZINC000238419335 572700510 /nfs/dbraw/zinc/70/05/10/572700510.db2.gz XPWAMWUTKKZSGS-STQMWFEESA-N 0 0 196.334 3.696 10 0 AHAERN CC(C)=CCC[C@H](C)[C@H](O)C=C(C)C ZINC000238419509 572701797 /nfs/dbraw/zinc/70/17/97/572701797.db2.gz XPWAMWUTKKZSGS-QWHCGFSZSA-N 0 0 196.334 3.696 10 0 AHAERN CC(C)=CCCC[C@H](C)CCCO ZINC000238419982 572701598 /nfs/dbraw/zinc/70/15/98/572701598.db2.gz YFYFNEFZCZKUQC-LBPRGKRZSA-N 0 0 184.323 3.532 10 0 AHAERN C[C@H](O)C1(C)CCCCCCCC1 ZINC000238420450 573495406 /nfs/dbraw/zinc/49/54/06/573495406.db2.gz YEPNGHWBKXMZSJ-NSHDSACASA-N 0 0 184.323 3.508 10 0 AHAERN C[C@@H]1CCC[C@H](/C=C/Cl)C1 ZINC000238420520 573495346 /nfs/dbraw/zinc/49/53/46/573495346.db2.gz RRUGPQFRRLECMV-JKKBLNIGSA-N 0 0 158.672 3.565 10 0 AHAERN CC(C)=CCC(CC=C(C)C)[C@@H](C)O ZINC000238421332 572701991 /nfs/dbraw/zinc/70/19/91/572701991.db2.gz WYLJBYRJRPFGRB-GFCCVEGCSA-N 0 0 196.334 3.696 10 0 AHAERN Cc1ccc(O)c([C@@H]2CCC[C@H]2C)c1 ZINC000238422023 573514043 /nfs/dbraw/zinc/51/40/43/573514043.db2.gz RHAMPUMWWHWZFG-GHMZBOCLSA-N 0 0 190.286 3.604 10 0 AHAERN Cc1cc([C@@H]2CCC[C@H]2C)ccc1O ZINC000238422040 573516112 /nfs/dbraw/zinc/51/61/12/573516112.db2.gz HCZDHMPQMZGHKN-BXKDBHETSA-N 0 0 190.286 3.604 10 0 AHAERN C[C@H](O)C1CCCCCCCCCC1 ZINC000238422383 573513323 /nfs/dbraw/zinc/51/33/23/573513323.db2.gz JSDCAORWRGSCKK-LBPRGKRZSA-N 0 0 198.350 3.898 10 0 AHAERN C[C@@H](O)C1(C)CCCCCCCC1 ZINC000238423084 573513601 /nfs/dbraw/zinc/51/36/01/573513601.db2.gz YEPNGHWBKXMZSJ-LLVKDONJSA-N 0 0 184.323 3.508 10 0 AHAERN C[C@@H](O)C1CCCCCCCCCC1 ZINC000238424919 573522189 /nfs/dbraw/zinc/52/21/89/573522189.db2.gz JSDCAORWRGSCKK-GFCCVEGCSA-N 0 0 198.350 3.898 10 0 AHAERN C[C@@H]1CCC[C@H](c2ccc(N)cc2)C1 ZINC000238425233 344806197 /nfs/dbraw/zinc/80/61/97/344806197.db2.gz JYOOJZFITUSIKY-PWSUYJOCSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@@H]1CC(/C=C/Cl)C[C@@H](C)C1 ZINC000238425435 573526893 /nfs/dbraw/zinc/52/68/93/573526893.db2.gz PNYKBPSFUOLKDI-FBFNWGNUSA-N 0 0 172.699 3.811 10 0 AHAERN C[C@H]1CCCC[C@@H]1/C=C/Cl ZINC000238429014 573530787 /nfs/dbraw/zinc/53/07/87/573530787.db2.gz WTZMOQWJLQHFCW-PUCWJLDJSA-N 0 0 158.672 3.565 10 0 AHAERN CC(C)=CC/C=C(\C)CCC[C@H](C)O ZINC000238429438 572702615 /nfs/dbraw/zinc/70/26/15/572702615.db2.gz KEQHZEMOGFJCQE-RPHSKFLZSA-N 0 0 196.334 3.840 10 0 AHAERN CSc1ccccc1NC(C)(C)C ZINC000238429674 573533560 /nfs/dbraw/zinc/53/35/60/573533560.db2.gz SYFXDRNPPUSTPE-UHFFFAOYSA-N 0 0 195.331 3.619 10 0 AHAERN C/C(=C\Cl)[C@@H]1CCCC[C@@H]1C ZINC000238431407 573537313 /nfs/dbraw/zinc/53/73/13/573537313.db2.gz BQEJKSBRSORTOC-BJHGEIEHSA-N 0 0 172.699 3.955 10 0 AHAERN C[C@@H]([C@@H](O)C(C)(C)C)C1CCCCC1 ZINC000238432959 573564814 /nfs/dbraw/zinc/56/48/14/573564814.db2.gz JVGCLKYZKLRTDT-ZYHUDNBSSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]([C@H](O)C(C)(C)C)C1CCCCC1 ZINC000238433039 573565069 /nfs/dbraw/zinc/56/50/69/573565069.db2.gz JVGCLKYZKLRTDT-PWSUYJOCSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1CCNc2ccc3ccccc3c21 ZINC000238434572 573277381 /nfs/dbraw/zinc/27/73/81/573277381.db2.gz JOHBABVWHRDXSW-SNVBAGLBSA-N 0 0 197.281 3.759 10 0 AHAERN C[C@@H]1C[C@@H]1Nc1cccc2ccccc21 ZINC000238436924 573279337 /nfs/dbraw/zinc/27/93/37/573279337.db2.gz IBMXMKOTZFYDRR-YGRLFVJLSA-N 0 0 197.281 3.660 10 0 AHAERN C[C@H]1CCCC[C@H]1/C=C/Cl ZINC000238438225 573550636 /nfs/dbraw/zinc/55/06/36/573550636.db2.gz WTZMOQWJLQHFCW-YKAJXJTPSA-N 0 0 158.672 3.565 10 0 AHAERN Cc1ccc([C@@H](C)/C=C/Cl)cc1 ZINC000238438258 573552986 /nfs/dbraw/zinc/55/29/86/573552986.db2.gz HQRMVDPBLKBTKE-JARNTUPDSA-N 0 0 180.678 3.851 10 0 AHAERN C[C@@H]1C[C@@H]1c1ccc2ccccc2c1N ZINC000238438305 572720072 /nfs/dbraw/zinc/72/00/72/572720072.db2.gz QMGQGERBEPRQTB-RNCFNFMXSA-N 0 0 197.281 3.545 10 0 AHAERN C[C@H]1CC[C@H](C)c2c(F)ccc(O)c21 ZINC000238439020 573556094 /nfs/dbraw/zinc/55/60/94/573556094.db2.gz DVZLKRCCJIAVBV-YUMQZZPRSA-N 0 0 194.249 3.532 10 0 AHAERN Cc1ccc2c(c1O)[C@@H](C)CC[C@@H]2C ZINC000238439071 573556675 /nfs/dbraw/zinc/55/66/75/573556675.db2.gz HMYQILNDJLVHCE-IUCAKERBSA-N 0 0 190.286 3.701 10 0 AHAERN Cc1ccc(O)c2c1[C@@H](C)CC[C@@H]2C ZINC000238439123 573557074 /nfs/dbraw/zinc/55/70/74/573557074.db2.gz OTHKVOCXXXBJCO-WPRPVWTQSA-N 0 0 190.286 3.701 10 0 AHAERN C[C@H]1CCNc2ccc3ccccc3c21 ZINC000238439255 572718558 /nfs/dbraw/zinc/71/85/58/572718558.db2.gz JOHBABVWHRDXSW-JTQLQIEISA-N 0 0 197.281 3.759 10 0 AHAERN C[C@@H]1CC[C@@H](C)c2c(F)ccc(O)c21 ZINC000238440936 573580211 /nfs/dbraw/zinc/58/02/11/573580211.db2.gz DVZLKRCCJIAVBV-HTQZYQBOSA-N 0 0 194.249 3.532 10 0 AHAERN Cc1ccc2c(c1O)[C@H](C)CC[C@H]2C ZINC000238440963 573580319 /nfs/dbraw/zinc/58/03/19/573580319.db2.gz HMYQILNDJLVHCE-RKDXNWHRSA-N 0 0 190.286 3.701 10 0 AHAERN Cc1ccc(O)c2c1[C@H](C)CC[C@H]2C ZINC000238441002 573581313 /nfs/dbraw/zinc/58/13/13/573581313.db2.gz OTHKVOCXXXBJCO-PSASIEDQSA-N 0 0 190.286 3.701 10 0 AHAERN C[C@H]1CC[C@@H](Nc2ccccc2)CC1 ZINC000238445310 573574978 /nfs/dbraw/zinc/57/49/78/573574978.db2.gz RMESAZIBTOVBJC-AULYBMBSSA-N 0 0 189.302 3.677 10 0 AHAERN C/C(=C\Cl)[C@@H]1CCC[C@H](C)C1 ZINC000238447190 573606418 /nfs/dbraw/zinc/60/64/18/573606418.db2.gz SZLCZNFKIPTVCC-BJHGEIEHSA-N 0 0 172.699 3.955 10 0 AHAERN C[C@@H]1CCCC=C1Nc1ccccc1 ZINC000238447916 573609661 /nfs/dbraw/zinc/60/96/61/573609661.db2.gz PUPHXASNKJJAFI-LLVKDONJSA-N 0 0 187.286 3.802 10 0 AHAERN C[C@@H]1CCCC=C1c1ccccc1O ZINC000238447962 573608586 /nfs/dbraw/zinc/60/85/86/573608586.db2.gz CUHMCZZGYLSGSF-SNVBAGLBSA-N 0 0 188.270 3.596 10 0 AHAERN CC(C)=CCC[C@]1(C)CC[C@H](O)[C@@H]1C ZINC000238449459 573613276 /nfs/dbraw/zinc/61/32/76/573613276.db2.gz BNZVFYKYIYZKKP-RWMBFGLXSA-N 0 0 196.334 3.530 10 0 AHAERN C[C@H]1C[C@H]1Nc1cccc2ccccc21 ZINC000238450798 572725259 /nfs/dbraw/zinc/72/52/59/572725259.db2.gz IBMXMKOTZFYDRR-IINYFYTJSA-N 0 0 197.281 3.660 10 0 AHAERN C[C@H]1CCC[C@@H](/C=C/Cl)C1 ZINC000238451501 573621979 /nfs/dbraw/zinc/62/19/79/573621979.db2.gz RRUGPQFRRLECMV-MUNZNRDXSA-N 0 0 158.672 3.565 10 0 AHAERN C[C@H]1C[C@H]1c1ccc2ccccc2c1N ZINC000238452027 572722764 /nfs/dbraw/zinc/72/27/64/572722764.db2.gz QMGQGERBEPRQTB-TVQRCGJNSA-N 0 0 197.281 3.545 10 0 AHAERN Cc1cccc2c(C)cnc(Cl)c12 ZINC000238452904 573621056 /nfs/dbraw/zinc/62/10/56/573621056.db2.gz VDHWNAFPFDHJBG-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN C[C@H]1c2ccccc2O[C@H]1C(C)(C)C ZINC000238452918 573621286 /nfs/dbraw/zinc/62/12/86/573621286.db2.gz PJKNNCRJQFRUAN-JOYOIKCWSA-N 0 0 190.286 3.597 10 0 AHAERN C[C@H](CC(C)(C)C)Nc1ccccc1 ZINC000238452958 573629118 /nfs/dbraw/zinc/62/91/18/573629118.db2.gz FBHAXXYVBZIPGS-LLVKDONJSA-N 0 0 191.318 3.923 10 0 AHAERN Cc1ccc(O)c([C@H]2CCC[C@@H]2C)c1 ZINC000238452970 573629082 /nfs/dbraw/zinc/62/90/82/573629082.db2.gz RHAMPUMWWHWZFG-QWRGUYRKSA-N 0 0 190.286 3.604 10 0 AHAERN Cc1cc([C@H]2CCC[C@@H]2C)ccc1O ZINC000238452980 573625436 /nfs/dbraw/zinc/62/54/36/573625436.db2.gz HCZDHMPQMZGHKN-CABZTGNLSA-N 0 0 190.286 3.604 10 0 AHAERN C[C@H](CC(C)(C)C)c1ccc(N)cc1 ZINC000238453071 573629133 /nfs/dbraw/zinc/62/91/33/573629133.db2.gz QWUNCQVNDNZPTD-SNVBAGLBSA-N 0 0 191.318 3.809 10 0 AHAERN Cc1cccc2c(Cl)ncc(C)c12 ZINC000238454116 573626844 /nfs/dbraw/zinc/62/68/44/573626844.db2.gz CCOIRCMGURHSOU-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN C/C(=C\Cl)[C@H]1CCCC[C@H]1C ZINC000238454396 573628691 /nfs/dbraw/zinc/62/86/91/573628691.db2.gz BQEJKSBRSORTOC-RXFWIBKSSA-N 0 0 172.699 3.955 10 0 AHAERN Cc1ccc(C)c2c1N[C@@H](C)C[C@H]2C ZINC000238455235 573596222 /nfs/dbraw/zinc/59/62/22/573596222.db2.gz BMCJJZXIQHQDJI-MNOVXSKESA-N 0 0 189.302 3.611 10 0 AHAERN C[C@@H]1C[C@H](C)[C@@H](C)Nc2ccccc21 ZINC000238455414 573594740 /nfs/dbraw/zinc/59/47/40/573594740.db2.gz LZZQOTDDZQJKOM-HBNTYKKESA-N 0 0 189.302 3.630 10 0 AHAERN C[C@@H]1c2ccccc2O[C@H]1C(C)(C)C ZINC000238456337 573593653 /nfs/dbraw/zinc/59/36/53/573593653.db2.gz PJKNNCRJQFRUAN-BXKDBHETSA-N 0 0 190.286 3.597 10 0 AHAERN C/C(=C\Cl)[C@H]1CCC[C@H](C)C1 ZINC000238456520 573600028 /nfs/dbraw/zinc/60/00/28/573600028.db2.gz SZLCZNFKIPTVCC-CFHQGVHJSA-N 0 0 172.699 3.955 10 0 AHAERN C[C@H]1CC[C@H](Nc2ccccc2)CC1 ZINC000238456671 573599865 /nfs/dbraw/zinc/59/98/65/573599865.db2.gz RMESAZIBTOVBJC-BJHJDKERSA-N 0 0 189.302 3.677 10 0 AHAERN Cc1ccc(C)c2c1C=CC(C)(C)N2 ZINC000238456706 344807505 /nfs/dbraw/zinc/80/75/05/344807505.db2.gz RDEUQEZURPRIPP-UHFFFAOYSA-N 0 0 187.286 3.521 10 0 AHAERN Cc1ccc(C[C@@H](C)c2ccccc2)[nH]1 ZINC000238457878 572726242 /nfs/dbraw/zinc/72/62/42/572726242.db2.gz SPLVSKPQVSRARR-LLVKDONJSA-N 0 0 199.297 3.669 10 0 AHAERN C=Cc1cc(C)c(O)c(C(C)(C)C)c1 ZINC000238459667 573632758 /nfs/dbraw/zinc/63/27/58/573632758.db2.gz UWBNIIKOKXFFLU-UHFFFAOYSA-N 0 0 190.286 3.641 10 0 AHAERN C[C@@H]1CCCC[C@@H]1/C=C/Cl ZINC000238460444 573635131 /nfs/dbraw/zinc/63/51/31/573635131.db2.gz WTZMOQWJLQHFCW-VRIGTBSNSA-N 0 0 158.672 3.565 10 0 AHAERN C[C@H]1CCC[C@H](/C=C/Cl)C1 ZINC000238460752 573636170 /nfs/dbraw/zinc/63/61/70/573636170.db2.gz RRUGPQFRRLECMV-VFPASMGPSA-N 0 0 158.672 3.565 10 0 AHAERN Cc1ccc(O)cc1[C@H]1C=CCCC1 ZINC000238461036 573634934 /nfs/dbraw/zinc/63/49/34/573634934.db2.gz NBIFTKCPWYWAKE-NSHDSACASA-N 0 0 188.270 3.524 10 0 AHAERN C[C@@H]1C[C@H]1Nc1cccc2ccccc21 ZINC000238461097 573637140 /nfs/dbraw/zinc/63/71/40/573637140.db2.gz IBMXMKOTZFYDRR-QMTHXVAHSA-N 0 0 197.281 3.660 10 0 AHAERN Cc1ccc(O)cc1[C@@H]1C=CCCC1 ZINC000238461424 573639657 /nfs/dbraw/zinc/63/96/57/573639657.db2.gz NBIFTKCPWYWAKE-LLVKDONJSA-N 0 0 188.270 3.524 10 0 AHAERN C[C@@H]1C[C@H]1c1ccc2ccccc2c1N ZINC000238462385 573326809 /nfs/dbraw/zinc/32/68/09/573326809.db2.gz QMGQGERBEPRQTB-NOZJJQNGSA-N 0 0 197.281 3.545 10 0 AHAERN Cc1ccc(O)c([C@@H]2CCC[C@@H]2C)c1 ZINC000238462558 573643779 /nfs/dbraw/zinc/64/37/79/573643779.db2.gz RHAMPUMWWHWZFG-WDEREUQCSA-N 0 0 190.286 3.604 10 0 AHAERN Cc1cc([C@@H]2CCC[C@@H]2C)ccc1O ZINC000238462575 573643413 /nfs/dbraw/zinc/64/34/13/573643413.db2.gz HCZDHMPQMZGHKN-JOYOIKCWSA-N 0 0 190.286 3.604 10 0 AHAERN C/C(=C\Cl)[C@@H]1CCCC[C@H]1C ZINC000238462961 573642198 /nfs/dbraw/zinc/64/21/98/573642198.db2.gz BQEJKSBRSORTOC-LYIYLLCESA-N 0 0 172.699 3.955 10 0 AHAERN Cc1ccc(C)c2c1N[C@H](C)C[C@H]2C ZINC000238466459 573650366 /nfs/dbraw/zinc/65/03/66/573650366.db2.gz BMCJJZXIQHQDJI-GHMZBOCLSA-N 0 0 189.302 3.611 10 0 AHAERN CC(C)=CCC[C@]1(C)CC[C@@H](O)[C@@H]1C ZINC000238466473 573649775 /nfs/dbraw/zinc/64/97/75/573649775.db2.gz BNZVFYKYIYZKKP-YNEHKIRRSA-N 0 0 196.334 3.530 10 0 AHAERN C[C@@H]1C[C@@H](C)[C@@H](C)Nc2ccccc21 ZINC000238466602 573651811 /nfs/dbraw/zinc/65/18/11/573651811.db2.gz LZZQOTDDZQJKOM-GMTAPVOTSA-N 0 0 189.302 3.630 10 0 AHAERN C[C@H]1CC(/C=C/Cl)C[C@H](C)C1 ZINC000238466615 573651728 /nfs/dbraw/zinc/65/17/28/573651728.db2.gz PNYKBPSFUOLKDI-HUGTUPKYSA-N 0 0 172.699 3.811 10 0 AHAERN C=C/C=C/[C@H](C)CC1CCCC1 ZINC000238466724 166142945 /nfs/dbraw/zinc/14/29/45/166142945.db2.gz AMDJUGLRBGFIJL-ZPMKCOPCSA-N 0 0 164.292 3.945 10 0 AHAERN C[C@H](CC=C(F)F)c1ccc(O)cc1 ZINC000238467389 573676106 /nfs/dbraw/zinc/67/61/06/573676106.db2.gz XICSTQKPOZTFBB-MRVPVSSYSA-N 0 0 198.212 3.666 10 0 AHAERN Cc1c2sccc2ccc1Cl ZINC000238467916 573676908 /nfs/dbraw/zinc/67/69/08/573676908.db2.gz NPORWPGIAMLERG-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN C/C(=C/Cl)C1CCCCC1 ZINC000238469049 572734344 /nfs/dbraw/zinc/73/43/44/572734344.db2.gz HRMOMPLPKGLEKM-FPLPWBNLSA-N 0 0 158.672 3.709 10 0 AHAERN C/C(=C/Cl)c1ccc(C)c(C)c1 ZINC000238469143 573681726 /nfs/dbraw/zinc/68/17/26/573681726.db2.gz XRWHGNSEPIVOHB-YFHOEESVSA-N 0 0 180.678 3.903 10 0 AHAERN C/C(=C/Cl)c1ccc(C)cc1C ZINC000238469169 573679582 /nfs/dbraw/zinc/67/95/82/573679582.db2.gz QFNHQDWJOUGGKW-YFHOEESVSA-N 0 0 180.678 3.903 10 0 AHAERN Cc1ccc(C)c2c1N[C@@H](C)C[C@@H]2C ZINC000238469844 573680510 /nfs/dbraw/zinc/68/05/10/573680510.db2.gz BMCJJZXIQHQDJI-QWRGUYRKSA-N 0 0 189.302 3.611 10 0 AHAERN Cc1c(Cl)cccc1OC1CCC1 ZINC000238470431 573684289 /nfs/dbraw/zinc/68/42/89/573684289.db2.gz GPTCETUZWXWQOM-UHFFFAOYSA-N 0 0 196.677 3.580 10 0 AHAERN Cc1ccc(C)c2c(C3CC3)c[nH]c21 ZINC000238472746 573662190 /nfs/dbraw/zinc/66/21/90/573662190.db2.gz GGZYIJBMPTXSCO-UHFFFAOYSA-N 0 0 185.270 3.662 10 0 AHAERN C[C@H]1C=Cc2cccn2-c2ccccc21 ZINC000238474400 572742880 /nfs/dbraw/zinc/74/28/80/572742880.db2.gz LOLKMCKJTUXAKQ-NSHDSACASA-N 0 0 195.265 3.608 10 0 AHAERN Cc1[nH]c(C)c(-c2ccccc2)c1C ZINC000238475758 573673010 /nfs/dbraw/zinc/67/30/10/573673010.db2.gz CTZYFWCJPBFSIA-UHFFFAOYSA-N 0 0 185.270 3.607 10 0 AHAERN Cc1[nH]c(Cc2ccccc2)c(C)c1C ZINC000238475943 572736756 /nfs/dbraw/zinc/73/67/56/572736756.db2.gz RNRKLCXOEPDFCY-UHFFFAOYSA-N 0 0 199.297 3.531 10 0 AHAERN Cc1cc2oc3ccccc3c2c(O)c1 ZINC000238476128 572737492 /nfs/dbraw/zinc/73/74/92/572737492.db2.gz QPGCBAPAOYHFAM-UHFFFAOYSA-N 0 0 198.221 3.600 10 0 AHAERN C/C(=C/CO)CC/C=C(/C)C(C)(C)C ZINC000238476457 573598120 /nfs/dbraw/zinc/59/81/20/573598120.db2.gz SBAGHNYVTUUMTI-WBWBCYDVSA-N 0 0 196.334 3.698 10 0 AHAERN C/C(C=C1CCCCCC1)=C/[C@@H](C)O ZINC000238477245 573707620 /nfs/dbraw/zinc/70/76/20/573707620.db2.gz MHDPGOVHHWECBV-UCQJPZFISA-N 0 0 194.318 3.594 10 0 AHAERN Cc1ccc(C)c2c1N[C@H](C)C[C@@H]2C ZINC000238479397 573689643 /nfs/dbraw/zinc/68/96/43/573689643.db2.gz BMCJJZXIQHQDJI-WDEREUQCSA-N 0 0 189.302 3.611 10 0 AHAERN C[C@@H]1CC[C@H](C)c2c(O)ccc(F)c21 ZINC000238481361 573696192 /nfs/dbraw/zinc/69/61/92/573696192.db2.gz DVZLKRCCJIAVBV-SFYZADRCSA-N 0 0 194.249 3.532 10 0 AHAERN Cc1ccc2c(c1O)[C@H](C)CC[C@@H]2C ZINC000238481393 573694899 /nfs/dbraw/zinc/69/48/99/573694899.db2.gz HMYQILNDJLVHCE-DTWKUNHWSA-N 0 0 190.286 3.701 10 0 AHAERN Cc1ccc(O)c2c1[C@@H](C)CC[C@H]2C ZINC000238481433 573695502 /nfs/dbraw/zinc/69/55/02/573695502.db2.gz OTHKVOCXXXBJCO-WCBMZHEXSA-N 0 0 190.286 3.701 10 0 AHAERN Cc1ccc(OC2CC2)c2ccccc12 ZINC000238483275 572740001 /nfs/dbraw/zinc/74/00/01/572740001.db2.gz LGPKMBWNSOFPJO-UHFFFAOYSA-N 0 0 198.265 3.689 10 0 AHAERN Cc1nc2c(cccc2C(F)F)s1 ZINC000238487421 344808899 /nfs/dbraw/zinc/80/88/99/344808899.db2.gz CKRHOMLPXUPXTR-UHFFFAOYSA-N 0 0 199.225 3.542 10 0 AHAERN Cc1cc(C)c(-c2ccccc2)c(N)c1 ZINC000238489295 572744534 /nfs/dbraw/zinc/74/45/34/572744534.db2.gz WTEYXSZBUJFNBB-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN Cc1[nH]c(C)c2ccc(=S)ccc12 ZINC000238490538 573709689 /nfs/dbraw/zinc/70/96/89/573709689.db2.gz BSXMUCCUCADSTK-UHFFFAOYSA-N 0 0 189.283 3.514 10 0 AHAERN C/C(=C\Cl)[C@H]1CCCC[C@@H]1C ZINC000238493076 573712379 /nfs/dbraw/zinc/71/23/79/573712379.db2.gz BQEJKSBRSORTOC-CFHQGVHJSA-N 0 0 172.699 3.955 10 0 AHAERN Cc1ccc2[nH]cc(C3CC3)c2c1C ZINC000238494240 573719744 /nfs/dbraw/zinc/71/97/44/573719744.db2.gz GNNGVSUYSWNMRQ-UHFFFAOYSA-N 0 0 185.270 3.662 10 0 AHAERN Cc1cc(O)cc([C@H]2C=CCCC2)c1 ZINC000238494940 573719431 /nfs/dbraw/zinc/71/94/31/573719431.db2.gz VSWNRDKMYVKUHF-NSHDSACASA-N 0 0 188.270 3.524 10 0 AHAERN Cc1[nH]c2cc(C)ccc2c1C1CC1 ZINC000238495029 573724494 /nfs/dbraw/zinc/72/44/94/573724494.db2.gz UNDGHBOIGQWDRV-UHFFFAOYSA-N 0 0 185.270 3.662 10 0 AHAERN Cc1ccc(/C=C/C=C/Cl)cc1 ZINC000238495076 573723991 /nfs/dbraw/zinc/72/39/91/573723991.db2.gz YAKUGVUDNUEICZ-QIAUARBPSA-N 0 0 178.662 3.761 10 0 AHAERN Cc1cc(O)cc([C@@H]2C=CCCC2)c1 ZINC000238495100 573723881 /nfs/dbraw/zinc/72/38/81/573723881.db2.gz VSWNRDKMYVKUHF-LLVKDONJSA-N 0 0 188.270 3.524 10 0 AHAERN Cc1ccc2c(C3CC3)c[nH]c2c1C ZINC000238495227 573723655 /nfs/dbraw/zinc/72/36/55/573723655.db2.gz OWHRQTWKRMPFIS-UHFFFAOYSA-N 0 0 185.270 3.662 10 0 AHAERN Cc1ccc(Cl)c(OC2CCC2)c1 ZINC000238495489 573723157 /nfs/dbraw/zinc/72/31/57/573723157.db2.gz PDBKRNAGXXNNJZ-UHFFFAOYSA-N 0 0 196.677 3.580 10 0 AHAERN Cc1nc2cc(Cl)cc(C)c2s1 ZINC000238496144 573722986 /nfs/dbraw/zinc/72/29/86/573722986.db2.gz NVLICZBBDOETST-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN Cc1ccc2c3[nH]ccc3ccc2c1 ZINC000238496252 573721922 /nfs/dbraw/zinc/72/19/22/573721922.db2.gz HZHAVDKHLXKYQA-UHFFFAOYSA-N 0 0 181.238 3.630 10 0 AHAERN Cc1coc2c1cc(C1CC1)cc2F ZINC000238497059 573751302 /nfs/dbraw/zinc/75/13/02/573751302.db2.gz YMTXHTKKERSSTE-UHFFFAOYSA-N 0 0 190.217 3.758 10 0 AHAERN Cc1coc2ccc(C3CC3)cc12 ZINC000238497144 573750060 /nfs/dbraw/zinc/75/00/60/573750060.db2.gz BWZSSEJWOREZSQ-UHFFFAOYSA-N 0 0 172.227 3.619 10 0 AHAERN Cc1ccc2cccc3c2c1CCCN3 ZINC000238497455 572744486 /nfs/dbraw/zinc/74/44/86/572744486.db2.gz JXCOPTWRVVKHSW-UHFFFAOYSA-N 0 0 197.281 3.506 10 0 AHAERN Cc1cc2c(C)cccc(C)c-2c1C=O ZINC000238498412 572749923 /nfs/dbraw/zinc/74/99/23/572749923.db2.gz ARCLILOFVYWPFB-UHFFFAOYSA-N 0 0 198.265 3.529 10 0 AHAERN Cc1c2cc[nH]c2c2c(c1C)CCCC2 ZINC000238498433 572749888 /nfs/dbraw/zinc/74/98/88/572749888.db2.gz MSQBEMLDUDCSLX-UHFFFAOYSA-N 0 0 199.297 3.664 10 0 AHAERN Cc1cc2c(s1)c(Cl)ncc2C ZINC000238498545 573753814 /nfs/dbraw/zinc/75/38/14/573753814.db2.gz FZGHRBKUIKNTIY-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN Cc1nc2ccc(C(F)F)cc2s1 ZINC000238499753 344809765 /nfs/dbraw/zinc/80/97/65/344809765.db2.gz FHSCKQNHEZOCLQ-UHFFFAOYSA-N 0 0 199.225 3.542 10 0 AHAERN Cc1sc2ccnc(Cl)c2c1C ZINC000238500076 573741264 /nfs/dbraw/zinc/74/12/64/573741264.db2.gz RZIAHHVRFSWBIQ-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN Cc1nc2ccc(Cl)c(C)c2s1 ZINC000238500550 573745762 /nfs/dbraw/zinc/74/57/62/573745762.db2.gz KZHLHFBIQSTTLW-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN Cc1cc(Cl)cc(C(F)F)c1 ZINC000238501258 344809762 /nfs/dbraw/zinc/80/97/62/344809762.db2.gz XRNGWDBAUJIMHD-UHFFFAOYSA-N 0 0 176.593 3.586 10 0 AHAERN Cc1cc2c(s1)c(C)cnc2Cl ZINC000238501383 573744921 /nfs/dbraw/zinc/74/49/21/573744921.db2.gz WCXHHPALPADBJK-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN Cc1nc2cccc(C(F)F)c2s1 ZINC000238502947 344809796 /nfs/dbraw/zinc/80/97/96/344809796.db2.gz YIYZXPWVUMZVNX-UHFFFAOYSA-N 0 0 199.225 3.542 10 0 AHAERN Cc1c2[nH]c3ccccc3c2ccc1F ZINC000238503588 572752492 /nfs/dbraw/zinc/75/24/92/572752492.db2.gz LQMIVJXWENIDTR-UHFFFAOYSA-N 0 0 199.228 3.769 10 0 AHAERN C[C@H]1CCC[C@@H](c2ccc(N)cc2)C1 ZINC000238503685 344809816 /nfs/dbraw/zinc/80/98/16/344809816.db2.gz JYOOJZFITUSIKY-CMPLNLGQSA-N 0 0 189.302 3.563 10 0 AHAERN Cc1ccc(F)c2c3ccccc3[nH]c21 ZINC000238503757 572751486 /nfs/dbraw/zinc/75/14/86/572751486.db2.gz ZLDCNURIWOZRLL-UHFFFAOYSA-N 0 0 199.228 3.769 10 0 AHAERN CC1=[NH+]c2ccccc2NC2=C1CCC2 ZINC000238503804 572752630 /nfs/dbraw/zinc/75/26/30/572752630.db2.gz QAMYZIYWQVVKKY-UHFFFAOYSA-N 0 0 198.269 3.643 10 0 AHAERN Cc1csc2[nH]c3ccccc3c12 ZINC000238504984 573754471 /nfs/dbraw/zinc/75/44/71/573754471.db2.gz SBXDYHPIWFKLBG-UHFFFAOYSA-N 0 0 187.267 3.691 10 0 AHAERN Cc1ccc(N)c(C2=CCCCC2)c1 ZINC000238506315 573760652 /nfs/dbraw/zinc/76/06/52/573760652.db2.gz ROXUNWXQSBSQTK-UHFFFAOYSA-N 0 0 187.286 3.535 10 0 AHAERN Cc1cccc([C@H]2C=CCCC2)c1O ZINC000238506547 573758340 /nfs/dbraw/zinc/75/83/40/573758340.db2.gz MDCJOECLUZEDBS-NSHDSACASA-N 0 0 188.270 3.524 10 0 AHAERN Cc1cc([C@H]2C=CCCC2)ccc1O ZINC000238506690 573759187 /nfs/dbraw/zinc/75/91/87/573759187.db2.gz IDUYQAYSCIUDCG-NSHDSACASA-N 0 0 188.270 3.524 10 0 AHAERN Cc1[nH]c2c(cc(C)cc2C)c1C1CC1 ZINC000238506950 572753859 /nfs/dbraw/zinc/75/38/59/572753859.db2.gz MCUIDPWYMYXQOV-UHFFFAOYSA-N 0 0 199.297 3.971 10 0 AHAERN Cc1ccc(-c2cc(C)cc(C)c2)[nH]1 ZINC000238507647 573764265 /nfs/dbraw/zinc/76/42/65/573764265.db2.gz OPANDKBZXMGZIJ-UHFFFAOYSA-N 0 0 185.270 3.607 10 0 AHAERN Cc1cc2cc(C)cc(C)cc-2c1C=O ZINC000238508377 572753801 /nfs/dbraw/zinc/75/38/01/572753801.db2.gz ZUVYGZPWGNPLQL-UHFFFAOYSA-N 0 0 198.265 3.529 10 0 AHAERN Cc1c2ccoc2c2ccccc2c1O ZINC000238509190 572752700 /nfs/dbraw/zinc/75/27/00/572752700.db2.gz ITNPFZZLCCWBRE-UHFFFAOYSA-N 0 0 198.221 3.600 10 0 AHAERN C[C@H]1C[C@@H]1Nc1cccc2ccccc21 ZINC000238509208 572753737 /nfs/dbraw/zinc/75/37/37/572753737.db2.gz IBMXMKOTZFYDRR-HZMBPMFUSA-N 0 0 197.281 3.660 10 0 AHAERN C[C@H]1C[C@@H]1c1ccc2ccccc2c1N ZINC000238510575 573814915 /nfs/dbraw/zinc/81/49/15/573814915.db2.gz QMGQGERBEPRQTB-ZANVPECISA-N 0 0 197.281 3.545 10 0 AHAERN Cc1cc(Cl)ccc1OC1CCC1 ZINC000238511046 573773752 /nfs/dbraw/zinc/77/37/52/573773752.db2.gz TWCIYQDOHODPDV-UHFFFAOYSA-N 0 0 196.677 3.580 10 0 AHAERN Cc1cc2cccc(C)c2c(Cl)n1 ZINC000238511050 573771907 /nfs/dbraw/zinc/77/19/07/573771907.db2.gz GJYDRNBPZQIGNN-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN C[C@H]1CCC[C@H](c2ccc(N)cc2)C1 ZINC000238511246 344810107 /nfs/dbraw/zinc/81/01/07/344810107.db2.gz JYOOJZFITUSIKY-JQWIXIFHSA-N 0 0 189.302 3.563 10 0 AHAERN CC1=C(C)[C@]2(C)CC[C@H]1C[C@@H]2C ZINC000238511985 573776624 /nfs/dbraw/zinc/77/66/24/573776624.db2.gz HTNGHDOJIWNQCM-KPXOXKRLSA-N 0 0 164.292 3.779 10 0 AHAERN Cc1ccc([C@H]2C=CCCC2)c(O)c1 ZINC000238512266 573777359 /nfs/dbraw/zinc/77/73/59/573777359.db2.gz BSAXQCMICOJESY-NSHDSACASA-N 0 0 188.270 3.524 10 0 AHAERN Cc1cc2ccccc2cc1OC1CC1 ZINC000238512337 572757364 /nfs/dbraw/zinc/75/73/64/572757364.db2.gz GROBCTTUDBSQKU-UHFFFAOYSA-N 0 0 198.265 3.689 10 0 AHAERN Cc1cc2ccsc2cc1Cl ZINC000238514100 573799714 /nfs/dbraw/zinc/79/97/14/573799714.db2.gz IYJLSUAVIKQJKP-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN Cc1ccc([C@@H]2CCCS2)cc1C ZINC000238514363 573800909 /nfs/dbraw/zinc/80/09/09/573800909.db2.gz OFFSIAHPUXQVNR-LBPRGKRZSA-N 0 0 192.327 3.872 10 0 AHAERN Cc1cccc([C@@H]2C=CCCC2)c1O ZINC000238515510 573803834 /nfs/dbraw/zinc/80/38/34/573803834.db2.gz MDCJOECLUZEDBS-LLVKDONJSA-N 0 0 188.270 3.524 10 0 AHAERN C=Cc1oc2cc(C)ccc2c1C ZINC000238516332 573806618 /nfs/dbraw/zinc/80/66/18/573806618.db2.gz PFDNKKJAZRQZFW-UHFFFAOYSA-N 0 0 172.227 3.693 10 0 AHAERN Cc1nc2cc(C)c(Cl)cc2s1 ZINC000238517203 344810466 /nfs/dbraw/zinc/81/04/66/344810466.db2.gz LSFGMUPHWBIISQ-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN Cc1c2cc[nH]c2cc2ccccc12 ZINC000238517919 573789295 /nfs/dbraw/zinc/78/92/95/573789295.db2.gz UJONXLVBXDKWKC-UHFFFAOYSA-N 0 0 181.238 3.630 10 0 AHAERN Cc1cc(C2=CCCCC2)ccc1O ZINC000238518128 573787087 /nfs/dbraw/zinc/78/70/87/573787087.db2.gz XJMHKCKIUPMAQX-UHFFFAOYSA-N 0 0 188.270 3.658 10 0 AHAERN Cc1c[nH]c2cc3ccccc3cc12 ZINC000238520652 573796053 /nfs/dbraw/zinc/79/60/53/573796053.db2.gz MUJGIRQUJZFHJR-UHFFFAOYSA-N 0 0 181.238 3.630 10 0 AHAERN Cc1c[nH]c2ccc3cccc-3cc12 ZINC000238520689 573797239 /nfs/dbraw/zinc/79/72/39/573797239.db2.gz AZQZENBHHWUGOF-UHFFFAOYSA-N 0 0 181.238 3.581 10 0 AHAERN Cc1cc([C@@H]2C=CCCC2)ccc1O ZINC000238522132 573816160 /nfs/dbraw/zinc/81/61/60/573816160.db2.gz IDUYQAYSCIUDCG-LLVKDONJSA-N 0 0 188.270 3.524 10 0 AHAERN C=Cc1cccc2c(Cl)nccc12 ZINC000238522204 573816506 /nfs/dbraw/zinc/81/65/06/573816506.db2.gz IPGGZJOSNHOGJT-UHFFFAOYSA-N 0 0 189.645 3.531 10 0 AHAERN Cc1[nH]c2cc(C)c(C)cc2c1C1CC1 ZINC000238522376 573833229 /nfs/dbraw/zinc/83/32/29/573833229.db2.gz VBFRHRQFVOPHEB-UHFFFAOYSA-N 0 0 199.297 3.971 10 0 AHAERN C=Cc1ccc2c(Cl)nccc2c1 ZINC000238522398 573814568 /nfs/dbraw/zinc/81/45/68/573814568.db2.gz NAKLUOKYYGQWOH-UHFFFAOYSA-N 0 0 189.645 3.531 10 0 AHAERN C=Cc1ccc2ccnc(Cl)c2c1 ZINC000238522564 573813514 /nfs/dbraw/zinc/81/35/14/573813514.db2.gz FKTWWXCCMMXCKY-UHFFFAOYSA-N 0 0 189.645 3.531 10 0 AHAERN C=Cc1cccc2ccnc(Cl)c12 ZINC000238522654 573816116 /nfs/dbraw/zinc/81/61/16/573816116.db2.gz NIMAWEFLXUSHIA-UHFFFAOYSA-N 0 0 189.645 3.531 10 0 AHAERN Cc1cc2[nH]c3ccccc3c2s1 ZINC000238522921 573814838 /nfs/dbraw/zinc/81/48/38/573814838.db2.gz BPQDUNSCANLUSZ-UHFFFAOYSA-N 0 0 187.267 3.691 10 0 AHAERN Cc1cc2[nH]cc(C3CC3)c2cc1C ZINC000238523061 573821108 /nfs/dbraw/zinc/82/11/08/573821108.db2.gz ZXYCBDHNJOIVTI-UHFFFAOYSA-N 0 0 185.270 3.662 10 0 AHAERN Clc1ncccc1C1CCCCC1 ZINC000238523388 344810923 /nfs/dbraw/zinc/81/09/23/344810923.db2.gz IEKLFWNSTHOYMD-UHFFFAOYSA-N 0 0 195.693 3.783 10 0 AHAERN Cc1cccc(Cl)c1C(F)F ZINC000238523922 344810916 /nfs/dbraw/zinc/81/09/16/344810916.db2.gz YRDQURJEJBJYNV-UHFFFAOYSA-N 0 0 176.593 3.586 10 0 AHAERN Cc1cc2c(ccc3[nH]c(C)c(C)c32)o1 ZINC000238524176 572757889 /nfs/dbraw/zinc/75/78/89/572757889.db2.gz NACDVIUOJPZMMC-UHFFFAOYSA-N 0 0 199.253 3.839 10 0 AHAERN Cc1cc2c(ccc3[nH]cc(C)c32)o1 ZINC000238524198 573822423 /nfs/dbraw/zinc/82/24/23/573822423.db2.gz BLIKGIVVPGPKDZ-UHFFFAOYSA-N 0 0 185.226 3.531 10 0 AHAERN Cc1cc2c(cc(C)nc2Cl)s1 ZINC000238524584 573824249 /nfs/dbraw/zinc/82/42/49/573824249.db2.gz HHOIVBHFKYMJHU-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN Cc1ccc(Nc2ccc(C)cc2)o1 ZINC000238524587 573824192 /nfs/dbraw/zinc/82/41/92/573824192.db2.gz OXSOMINFLVPYCX-UHFFFAOYSA-N 0 0 187.242 3.640 10 0 AHAERN Cc1nc2cc(Cl)c(C)cc2s1 ZINC000238524680 573824535 /nfs/dbraw/zinc/82/45/35/573824535.db2.gz BVCFICPOLMSNTL-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN Cc1cccc(Cl)c1OC1CCC1 ZINC000238524729 573825540 /nfs/dbraw/zinc/82/55/40/573825540.db2.gz YTXHMSRQDDVWAJ-UHFFFAOYSA-N 0 0 196.677 3.580 10 0 AHAERN Cc1csc2cc(C)nc(Cl)c12 ZINC000238525048 573824475 /nfs/dbraw/zinc/82/44/75/573824475.db2.gz ZEZGWIYFDQEEPF-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN Cc1cc2cc3[nH]c(C)c(C)c3cc2[nH]1 ZINC000238525212 572768437 /nfs/dbraw/zinc/76/84/37/572768437.db2.gz WJOVJCNAVBBRAZ-UHFFFAOYSA-N 0 0 198.269 3.574 10 0 AHAERN Cc1cc2cc3ccccc3cc2[nH]1 ZINC000238525266 573823509 /nfs/dbraw/zinc/82/35/09/573823509.db2.gz KFYVCOBUKXHBRW-UHFFFAOYSA-N 0 0 181.238 3.630 10 0 AHAERN ClC=C=C1C2CC3CC(C2)CC1C3 ZINC000238525414 573825035 /nfs/dbraw/zinc/82/50/35/573825035.db2.gz FIDNILQXFRJICV-UHFFFAOYSA-N 0 0 194.705 3.720 10 0 AHAERN Cc1cc2c(cc1F)[nH]c1ccccc12 ZINC000238527241 572783958 /nfs/dbraw/zinc/78/39/58/572783958.db2.gz OSWARNYOYMKREE-UHFFFAOYSA-N 0 0 199.228 3.769 10 0 AHAERN Cc1ccc(O)c(C2=CC=CC=CC2)c1 ZINC000238527686 572781463 /nfs/dbraw/zinc/78/14/63/572781463.db2.gz MNEQPOHHVLDFSI-UHFFFAOYSA-N 0 0 198.265 3.600 10 0 AHAERN Cc1ccc(O)c(C2=CC=CCC=C2)c1 ZINC000238527720 572781422 /nfs/dbraw/zinc/78/14/22/572781422.db2.gz PPSRDEZHJLFABK-UHFFFAOYSA-N 0 0 198.265 3.600 10 0 AHAERN Cc1cc2occ3cccc-3c2cc1O ZINC000238527812 572783859 /nfs/dbraw/zinc/78/38/59/572783859.db2.gz NBWBGFJRJUJAEP-UHFFFAOYSA-N 0 0 198.221 3.552 10 0 AHAERN Cc1ccc2ccc(F)cc2c1C ZINC000238528084 573804271 /nfs/dbraw/zinc/80/42/71/573804271.db2.gz YKQWUKNSMCRCMF-UHFFFAOYSA-N 0 0 174.218 3.596 10 0 AHAERN Fc1ccc2sccc2c1Cl ZINC000238528726 573811477 /nfs/dbraw/zinc/81/14/77/573811477.db2.gz BCWBXIVFQNIJOQ-UHFFFAOYSA-N 0 0 186.638 3.694 10 0 AHAERN Cc1ccc(O)c([C@H]2C=CCCC2)c1 ZINC000238529640 573809038 /nfs/dbraw/zinc/80/90/38/573809038.db2.gz UCJUWXYHDKQRCM-NSHDSACASA-N 0 0 188.270 3.524 10 0 AHAERN Cc1ccc2ccsc2c1Cl ZINC000238530381 573815199 /nfs/dbraw/zinc/81/51/99/573815199.db2.gz CIFNBQDTUQKDNJ-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN Cc1ccc(O)c([C@@H]2C=CCCC2)c1 ZINC000238530426 573815781 /nfs/dbraw/zinc/81/57/81/573815781.db2.gz UCJUWXYHDKQRCM-LLVKDONJSA-N 0 0 188.270 3.524 10 0 AHAERN Clc1c[nH]c2c1cccc2C1CC1 ZINC000238531634 573828023 /nfs/dbraw/zinc/82/80/23/573828023.db2.gz WZHVMVDKEILWAY-UHFFFAOYSA-N 0 0 191.661 3.699 10 0 AHAERN Clc1c[nH]c2cc(C3CC3)ccc12 ZINC000238531654 573829459 /nfs/dbraw/zinc/82/94/59/573829459.db2.gz ZAFHDNBOTUCMSY-UHFFFAOYSA-N 0 0 191.661 3.699 10 0 AHAERN Clc1c[nH]c2ccc(C3CC3)cc12 ZINC000238531674 573831755 /nfs/dbraw/zinc/83/17/55/573831755.db2.gz JOYRFJIYVSDAMP-UHFFFAOYSA-N 0 0 191.661 3.699 10 0 AHAERN Clc1c[nH]c2cccc(C3CC3)c12 ZINC000238531699 573829085 /nfs/dbraw/zinc/82/90/85/573829085.db2.gz POHLJHXRKYXAKD-UHFFFAOYSA-N 0 0 191.661 3.699 10 0 AHAERN Cc1[nH]c2cccc(C)c2c1C1CC1 ZINC000238531871 573835277 /nfs/dbraw/zinc/83/52/77/573835277.db2.gz IDTHRTCPNDHTME-UHFFFAOYSA-N 0 0 185.270 3.662 10 0 AHAERN Clc1ccc2c(c1)/C=C/CCCN2 ZINC000238531911 573833471 /nfs/dbraw/zinc/83/34/71/573833471.db2.gz FSDZULUXBSCKEK-DUXPYHPUSA-N 0 0 193.677 3.559 10 0 AHAERN Clc1ccc2c(c1)C=CCCCN2 ZINC000238531959 572785016 /nfs/dbraw/zinc/78/50/16/572785016.db2.gz FSDZULUXBSCKEK-UHFFFAOYSA-N 0 0 193.677 3.559 10 0 AHAERN Cc1cc(-c2cccc(Cl)c2)c[nH]1 ZINC000238532758 573836770 /nfs/dbraw/zinc/83/67/70/573836770.db2.gz RQFVAKQHCJJIGG-UHFFFAOYSA-N 0 0 191.661 3.644 10 0 AHAERN Cc1[nH]c2c(cccc2C)c1C1CC1 ZINC000238533089 573836371 /nfs/dbraw/zinc/83/63/71/573836371.db2.gz NNDDKVCDOUOWML-UHFFFAOYSA-N 0 0 185.270 3.662 10 0 AHAERN Cc1cccc2c3cc(F)ccc3[nH]c21 ZINC000238533807 572787674 /nfs/dbraw/zinc/78/76/74/572787674.db2.gz HREUINGOEHTIFC-UHFFFAOYSA-N 0 0 199.228 3.769 10 0 AHAERN Cc1cccc2c3ccc(F)cc3[nH]c21 ZINC000238533872 572787449 /nfs/dbraw/zinc/78/74/49/572787449.db2.gz MWPVZHWTQVTZFS-UHFFFAOYSA-N 0 0 199.228 3.769 10 0 AHAERN Cc1cccc2c3cccc(F)c3[nH]c21 ZINC000238533981 572787609 /nfs/dbraw/zinc/78/76/09/572787609.db2.gz OCWFSPKJJNWNIP-UHFFFAOYSA-N 0 0 199.228 3.769 10 0 AHAERN Cc1cccc2cc(-c3ccco3)[nH]c21 ZINC000238534398 572782725 /nfs/dbraw/zinc/78/27/25/572782725.db2.gz MEXBSRNUJMJLSR-UHFFFAOYSA-N 0 0 197.237 3.736 10 0 AHAERN Cc1c(O)c(Cl)cc2ccccc12 ZINC000238535023 573837869 /nfs/dbraw/zinc/83/78/69/573837869.db2.gz UCMPFRUJXBJCTQ-UHFFFAOYSA-N 0 0 192.645 3.507 10 0 AHAERN Cc1nc2cc(C)cc(Cl)c2s1 ZINC000238535146 573838296 /nfs/dbraw/zinc/83/82/96/573838296.db2.gz QOJRGMNTMQOTOU-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN Cc1cccc2oc3ccc(O)cc3c21 ZINC000238535529 572783251 /nfs/dbraw/zinc/78/32/51/572783251.db2.gz ATOWCXCGHSKJKZ-UHFFFAOYSA-N 0 0 198.221 3.600 10 0 AHAERN Cc1cc(Cl)cc(OC2CCC2)c1 ZINC000238535691 573844580 /nfs/dbraw/zinc/84/45/80/573844580.db2.gz JJJZXVHXYFIVIW-UHFFFAOYSA-N 0 0 196.677 3.580 10 0 AHAERN S=c1[nH]ccc2ccc(Cl)cc21 ZINC000238536417 573844260 /nfs/dbraw/zinc/84/42/60/573844260.db2.gz HYWZBRFNXWRBEX-UHFFFAOYSA-N 0 0 195.674 3.551 10 0 AHAERN Cc1ccc([C@@H]2C=CCCC2)c(O)c1 ZINC000238536823 573844236 /nfs/dbraw/zinc/84/42/36/573844236.db2.gz BSAXQCMICOJESY-LLVKDONJSA-N 0 0 188.270 3.524 10 0 AHAERN Cc1c(O)cc(Cl)c2ccccc12 ZINC000238537833 573848499 /nfs/dbraw/zinc/84/84/99/573848499.db2.gz LECDFGVDGCRITG-UHFFFAOYSA-N 0 0 192.645 3.507 10 0 AHAERN Cc1nc2c(ccc(C)c2Cl)s1 ZINC000238540762 573865868 /nfs/dbraw/zinc/86/58/68/573865868.db2.gz ZMOXCNJENNQWPG-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN Cc1c(F)sc2ccc(C)cc12 ZINC000238541258 573872086 /nfs/dbraw/zinc/87/20/86/573872086.db2.gz IZUBHCLXFZOLJD-UHFFFAOYSA-N 0 0 180.247 3.657 10 0 AHAERN Cc1csc2ccc(C)c(F)c12 ZINC000238541839 573855284 /nfs/dbraw/zinc/85/52/84/573855284.db2.gz UBJQRPDATMGWJA-UHFFFAOYSA-N 0 0 180.247 3.657 10 0 AHAERN Cc1ccc2sccc2c1Cl ZINC000238542049 573856711 /nfs/dbraw/zinc/85/67/11/573856711.db2.gz YUPBNFIUALFENC-UHFFFAOYSA-N 0 0 182.675 3.863 10 0 AHAERN Cc1cccc(/C(=C/Cl)C2CC2)c1 ZINC000238542994 573855872 /nfs/dbraw/zinc/85/58/72/573855872.db2.gz OTQDTBQHKMOZEB-XYOKQWHBSA-N 0 0 192.689 3.985 10 0 AHAERN Cc1csc2c1cc(C)cc2F ZINC000238543022 573856681 /nfs/dbraw/zinc/85/66/81/573856681.db2.gz GTCKAONKLZADEU-UHFFFAOYSA-N 0 0 180.247 3.657 10 0 AHAERN Fc1cc2sccc2cc1Cl ZINC000238547518 573862300 /nfs/dbraw/zinc/86/23/00/573862300.db2.gz VERQPFWVFZHZAJ-UHFFFAOYSA-N 0 0 186.638 3.694 10 0 AHAERN Cc1cc(C)c(/C=C/Cl)cc1C ZINC000238547562 573863475 /nfs/dbraw/zinc/86/34/75/573863475.db2.gz KXZVUFVKUGFOIR-SNAWJCMRSA-N 0 0 180.678 3.821 10 0 AHAERN CC1c2cccc(Cl)c2SC1=O ZINC000238548227 573862942 /nfs/dbraw/zinc/86/29/42/573862942.db2.gz FIZJSMUVEUBRCO-UHFFFAOYSA-N 0 0 198.674 3.569 10 0 AHAERN Cc1cccc2c1SC(C)(C)C=C2 ZINC000238549950 573870783 /nfs/dbraw/zinc/87/07/83/573870783.db2.gz OOQSVYGWMAOCJQ-UHFFFAOYSA-N 0 0 190.311 3.893 10 0 AHAERN Fc1cccc2c(Cl)cccc12 ZINC000238553890 344812491 /nfs/dbraw/zinc/81/24/91/344812491.db2.gz HIKMRWKBCQATRE-UHFFFAOYSA-N 0 0 180.609 3.632 10 0 AHAERN Cc1cc(C)c(-c2ccc(C)cc2)[nH]1 ZINC000238554193 573887567 /nfs/dbraw/zinc/88/75/67/573887567.db2.gz MWIXABQMIAPWFP-UHFFFAOYSA-N 0 0 185.270 3.607 10 0 AHAERN Cc1ccc(-c2c(C)cccc2C)nc1 ZINC000238554423 572794488 /nfs/dbraw/zinc/79/44/88/572794488.db2.gz QJFFVRAXCFYMEY-UHFFFAOYSA-N 0 0 197.281 3.674 10 0 AHAERN Fc1cccc2cc(Cl)ccc12 ZINC000238554471 344812542 /nfs/dbraw/zinc/81/25/42/344812542.db2.gz ZWKOYTLOWDTOTD-UHFFFAOYSA-N 0 0 180.609 3.632 10 0 AHAERN Cc1csc2c1c(O)ccc2Cl ZINC000238554934 573885197 /nfs/dbraw/zinc/88/51/97/573885197.db2.gz YVHRBOXZAGTYOF-UHFFFAOYSA-N 0 0 198.674 3.569 10 0 AHAERN Cc1ccc(-c2cc(C)cc(C)n2)cc1 ZINC000238555353 572815571 /nfs/dbraw/zinc/81/55/71/572815571.db2.gz RAIMKFOSAUALBM-UHFFFAOYSA-N 0 0 197.281 3.674 10 0 AHAERN Cc1ccc(-c2cc(C)ccc2C)nc1 ZINC000238555382 572815542 /nfs/dbraw/zinc/81/55/42/572815542.db2.gz VNYQBXBGHBTOJV-UHFFFAOYSA-N 0 0 197.281 3.674 10 0 AHAERN C=Cc1cccc2cnc(Cl)cc12 ZINC000238556018 573881313 /nfs/dbraw/zinc/88/13/13/573881313.db2.gz SHSXUHKGZYFJPL-UHFFFAOYSA-N 0 0 189.645 3.531 10 0 AHAERN Cc1ccc(-c2ccc(C)cc2C)nc1 ZINC000238556836 572811324 /nfs/dbraw/zinc/81/13/24/572811324.db2.gz WZJKAKSMPJGKHJ-UHFFFAOYSA-N 0 0 197.281 3.674 10 0 AHAERN Cc1ccc(-c2cccc(C)c2C)nc1 ZINC000238558337 572818682 /nfs/dbraw/zinc/81/86/82/572818682.db2.gz NOWNBVAUEAILPJ-UHFFFAOYSA-N 0 0 197.281 3.674 10 0 AHAERN Clc1ccc(C2CCCCC2)nc1 ZINC000238562325 573892539 /nfs/dbraw/zinc/89/25/39/573892539.db2.gz OGMVGMZEGDLOMX-UHFFFAOYSA-N 0 0 195.693 3.783 10 0 AHAERN Cn1c2ccccc2c2c1C=CCCC2 ZINC000238568210 572829027 /nfs/dbraw/zinc/82/90/27/572829027.db2.gz LNROEMOHKXQSCE-UHFFFAOYSA-N 0 0 197.281 3.528 10 0 AHAERN Nc1ccsc1C=C1CCCCC1 ZINC000238571771 344813440 /nfs/dbraw/zinc/81/34/40/344813440.db2.gz DOSQZKDCFLCTPP-UHFFFAOYSA-N 0 0 193.315 3.678 10 0 AHAERN Fc1cc(F)c(C(F)F)c(Cl)c1 ZINC000238576249 344813951 /nfs/dbraw/zinc/81/39/51/344813951.db2.gz YJLCZHKSLQOVEZ-UHFFFAOYSA-N 0 0 198.546 3.556 10 0 AHAERN Fc1ccc2ccccc2c1C(F)F ZINC000238577147 344813743 /nfs/dbraw/zinc/81/37/43/344813743.db2.gz WPSQFTIPDYWGFY-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN Fc1cc(Cl)cc2ccccc12 ZINC000238594081 344814885 /nfs/dbraw/zinc/81/48/85/344814885.db2.gz NBEBLHAHATVVNC-UHFFFAOYSA-N 0 0 180.609 3.632 10 0 AHAERN OCCC1CCC2(CCCCC2)CC1 ZINC000238645206 344817052 /nfs/dbraw/zinc/81/70/52/344817052.db2.gz URVKQEFXBCKGDM-UHFFFAOYSA-N 0 0 196.334 3.510 10 0 AHAERN Fc1cc(F)c(C(F)F)cc1Cl ZINC000238657292 344817456 /nfs/dbraw/zinc/81/74/56/344817456.db2.gz WYSLEDPBRZPFMY-UHFFFAOYSA-N 0 0 198.546 3.556 10 0 AHAERN Fc1cc(C(F)F)cc2ccccc12 ZINC000238657976 344817502 /nfs/dbraw/zinc/81/75/02/344817502.db2.gz KVRGUXRVXXACLF-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN OCCCCC[C@H]1C=CCCCCC1 ZINC000238658557 572359116 /nfs/dbraw/zinc/35/91/16/572359116.db2.gz VYIRADMQDNMJKX-ZDUSSCGKSA-N 0 0 196.334 3.676 10 0 AHAERN OCCCCC[C@@H]1C=CCCCCC1 ZINC000238659041 572359656 /nfs/dbraw/zinc/35/96/56/572359656.db2.gz VYIRADMQDNMJKX-CYBMUJFWSA-N 0 0 196.334 3.676 10 0 AHAERN Fc1cc2ccccc2cc1C(F)F ZINC000238659174 344817449 /nfs/dbraw/zinc/81/74/49/344817449.db2.gz OKFLWUITXSWTLW-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN Fc1cccc2cc(C(F)F)ccc12 ZINC000238660575 371730748 /nfs/dbraw/zinc/73/07/48/371730748.db2.gz YBRMQFFTXLJYRC-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN Fc1ccc2cc(C(F)F)ccc2c1 ZINC000238660752 371730754 /nfs/dbraw/zinc/73/07/54/371730754.db2.gz GGHIQAQKMSPXFT-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN Fc1ccc2ccc(C(F)F)cc2c1 ZINC000238660968 371730714 /nfs/dbraw/zinc/73/07/14/371730714.db2.gz YMGPFXJCSXCCBI-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN Fc1cccc2ccc(C(F)F)cc12 ZINC000238661222 371730799 /nfs/dbraw/zinc/73/07/99/371730799.db2.gz DLXWQOZAZLXAMZ-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN Fc1c2ccccc2ccc1C(F)F ZINC000238661449 371730763 /nfs/dbraw/zinc/73/07/63/371730763.db2.gz GRVDWHQVLXYMDF-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN Fc1cc(C(F)F)cc(F)c1Cl ZINC000238670833 344818162 /nfs/dbraw/zinc/81/81/62/344818162.db2.gz IQPGNAZQBQTWLX-UHFFFAOYSA-N 0 0 198.546 3.556 10 0 AHAERN Fc1cc(C(F)F)cc(Cl)c1F ZINC000238671644 344818105 /nfs/dbraw/zinc/81/81/05/344818105.db2.gz JSIFDYLKGLNTGW-UHFFFAOYSA-N 0 0 198.546 3.556 10 0 AHAERN Fc1cc(Cl)c(F)c(C(F)F)c1 ZINC000238674657 344818103 /nfs/dbraw/zinc/81/81/03/344818103.db2.gz WAWCWKZMHJXLPE-UHFFFAOYSA-N 0 0 198.546 3.556 10 0 AHAERN Fc1cc(F)c(Cl)c(C(F)F)c1 ZINC000238674711 344818216 /nfs/dbraw/zinc/81/82/16/344818216.db2.gz HZKLTYIDOFRZJS-UHFFFAOYSA-N 0 0 198.546 3.556 10 0 AHAERN Fc1cc2ccccc2c(C(F)F)c1 ZINC000238674903 344818106 /nfs/dbraw/zinc/81/81/06/344818106.db2.gz AGSZDLAZMRFVMH-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN Fc1ccc(C(F)F)c(F)c1Cl ZINC000238699467 344820177 /nfs/dbraw/zinc/82/01/77/344820177.db2.gz PTIUBPRGZPFEBL-UHFFFAOYSA-N 0 0 198.546 3.556 10 0 AHAERN Fc1ccc(C(F)F)c(Cl)c1F ZINC000238699506 344820261 /nfs/dbraw/zinc/82/02/61/344820261.db2.gz MAOXYMXHDXWGPG-UHFFFAOYSA-N 0 0 198.546 3.556 10 0 AHAERN Fc1ccc(C(F)F)c2ccccc12 ZINC000238699686 344820219 /nfs/dbraw/zinc/82/02/19/344820219.db2.gz GPEHOBNJOLXCHG-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN Fc1cccc2c1cccc2C(F)F ZINC000238702898 344820725 /nfs/dbraw/zinc/82/07/25/344820725.db2.gz ANGNGMADHNMCKX-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN Fc1ccc2c(cccc2C(F)F)c1 ZINC000238703005 344820549 /nfs/dbraw/zinc/82/05/49/344820549.db2.gz GAXODNRBUHYEKE-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN Fc1ccc2cccc(C(F)F)c2c1 ZINC000238703125 344820586 /nfs/dbraw/zinc/82/05/86/344820586.db2.gz KVFVJBWJARJZMQ-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN Fc1cccc2cccc(C(F)F)c12 ZINC000238703239 344820585 /nfs/dbraw/zinc/82/05/85/344820585.db2.gz MYBNHUWUPZHYRE-UHFFFAOYSA-N 0 0 196.171 3.917 10 0 AHAERN CCCC[C@@H](CO)CC(CC)CC ZINC000238792695 572406923 /nfs/dbraw/zinc/40/69/23/572406923.db2.gz POESEMBAZRLBEV-GFCCVEGCSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC[C@@H](CO)C[C@@H](C)CCC ZINC000238792707 572408101 /nfs/dbraw/zinc/40/81/01/572408101.db2.gz SEQULAXUDQYBAU-NWDGAFQWSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC[C@@H](CO)C[C@H](C)CCC ZINC000238792708 572407584 /nfs/dbraw/zinc/40/75/84/572407584.db2.gz SEQULAXUDQYBAU-VXGBXAGGSA-N 0 0 186.339 3.611 10 0 AHAERN CC(C)[C@H]1CC=C(CC[C@@H](C)O)CC1 ZINC000238794089 572415048 /nfs/dbraw/zinc/41/50/48/572415048.db2.gz VJNUGMICHJWLHL-YPMHNXCESA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@H]1CC=C(CC[C@H](C)O)CC1 ZINC000238794092 572414104 /nfs/dbraw/zinc/41/41/04/572414104.db2.gz VJNUGMICHJWLHL-AAEUAGOBSA-N 0 0 196.334 3.530 10 0 AHAERN CCCC[C@@H](O)C(C)(C)CCCC ZINC000238794094 573201285 /nfs/dbraw/zinc/20/12/85/573201285.db2.gz MUDQZPIRNLAMFC-LLVKDONJSA-N 0 0 186.339 3.754 10 0 AHAERN CCC/C=C(\CC)[C@H](O)CCCC ZINC000238794114 572413680 /nfs/dbraw/zinc/41/36/80/572413680.db2.gz AHNPDNPLFJKAGD-LMMOQWNQSA-N 0 0 184.323 3.674 10 0 AHAERN CCCC[C@@H](O)C1=CCCC=CCC1 ZINC000238794136 572413803 /nfs/dbraw/zinc/41/38/03/572413803.db2.gz LHJUYIVZGHBQPE-CYBMUJFWSA-N 0 0 194.318 3.594 10 0 AHAERN CCCC[C@@H](O)C=C=C(C)C(C)(C)C ZINC000238794147 572413289 /nfs/dbraw/zinc/41/32/89/572413289.db2.gz FNHPBKOCHYYYIZ-FFFFSGIJSA-N 0 0 196.334 3.685 10 0 AHAERN CCCC[C@@H](O)CC[C@H]1CC=CCC1 ZINC000238794186 572414550 /nfs/dbraw/zinc/41/45/50/572414550.db2.gz NFESZXMUTVMLKE-QWHCGFSZSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@@H](O)CC[C@@H]1CC=CCC1 ZINC000238794188 572413661 /nfs/dbraw/zinc/41/36/61/572413661.db2.gz NFESZXMUTVMLKE-CHWSQXEVSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@@H](O)[C@@H](C)C1CCCCC1 ZINC000238794241 572414319 /nfs/dbraw/zinc/41/43/19/572414319.db2.gz TZIJYKLSXKHXKB-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](O)[C@H](C)C1CCCCC1 ZINC000238794325 572414307 /nfs/dbraw/zinc/41/43/07/572414307.db2.gz TZIJYKLSXKHXKB-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H]1C[C@@H]1c1ccccc1N ZINC000238795151 572408891 /nfs/dbraw/zinc/40/88/91/572408891.db2.gz RFZMIMLQKWDDOW-PWSUYJOCSA-N 0 0 189.302 3.563 10 0 AHAERN CCCC[C@@H]1C[C@@H]1c1ccsc1N ZINC000238795152 572410907 /nfs/dbraw/zinc/41/09/07/572410907.db2.gz WLPBYFRLGMZEQL-SCZZXKLOSA-N 0 0 195.331 3.624 10 0 AHAERN CCCC[C@@H]1C[C@@H]1c1cscc1N ZINC000238795153 572408539 /nfs/dbraw/zinc/40/85/39/572408539.db2.gz RDKNXSTYVGGWIB-BDAKNGLRSA-N 0 0 195.331 3.624 10 0 AHAERN CCCC[C@@H]1C[C@@H]1c1sccc1N ZINC000238795155 572410132 /nfs/dbraw/zinc/41/01/32/572410132.db2.gz RVOVUNCCWHIILR-BDAKNGLRSA-N 0 0 195.331 3.624 10 0 AHAERN CCCC[C@@H]1C[C@H]1c1ccccc1N ZINC000238795229 572410654 /nfs/dbraw/zinc/41/06/54/572410654.db2.gz RFZMIMLQKWDDOW-ZYHUDNBSSA-N 0 0 189.302 3.563 10 0 AHAERN CCCC[C@@H]1C[C@H]1c1ccsc1N ZINC000238795231 572411415 /nfs/dbraw/zinc/41/14/15/572411415.db2.gz WLPBYFRLGMZEQL-PSASIEDQSA-N 0 0 195.331 3.624 10 0 AHAERN CCCC[C@@H]1C[C@H]1c1cscc1N ZINC000238795233 572410580 /nfs/dbraw/zinc/41/05/80/572410580.db2.gz RDKNXSTYVGGWIB-RKDXNWHRSA-N 0 0 195.331 3.624 10 0 AHAERN CCCC[C@@H]1C[C@H]1c1sccc1N ZINC000238795234 572411131 /nfs/dbraw/zinc/41/11/31/572411131.db2.gz RVOVUNCCWHIILR-RKDXNWHRSA-N 0 0 195.331 3.624 10 0 AHAERN CCCC[C@@](C)(CC)CC(C)=O ZINC000238795867 573308190 /nfs/dbraw/zinc/30/81/90/573308190.db2.gz HXBROTPRNORGMX-LLVKDONJSA-N 0 0 170.296 3.572 10 0 AHAERN CCCC[C@@](C)(CC)CCCCO ZINC000238795868 572410948 /nfs/dbraw/zinc/41/09/48/572410948.db2.gz WORJAHJLOSHHBF-GFCCVEGCSA-N 0 0 186.339 3.756 10 0 AHAERN CCCC[C@@]1(CO)CCC[C@@H](CC)C1 ZINC000238796378 572417066 /nfs/dbraw/zinc/41/70/66/572417066.db2.gz NBQHYMNIJLBPND-CHWSQXEVSA-N 0 0 198.350 3.756 10 0 AHAERN CCCC[C@@]1(CO)CCC[C@H](CC)C1 ZINC000238796379 572418016 /nfs/dbraw/zinc/41/80/16/572418016.db2.gz NBQHYMNIJLBPND-QWHCGFSZSA-N 0 0 198.350 3.756 10 0 AHAERN CCCC[C@H](C)CC(=O)CCC ZINC000238796733 573312922 /nfs/dbraw/zinc/31/29/22/573312922.db2.gz FTBSEHBDKCTUFT-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CCCC[C@H](C)CC/C=C(/C)CO ZINC000238796753 573312881 /nfs/dbraw/zinc/31/28/81/573312881.db2.gz FCTHKOZJNICLQF-AWPPVZKDSA-N 0 0 184.323 3.532 10 0 AHAERN CCCC[C@H](C)CCC(=O)CC ZINC000238796755 572419684 /nfs/dbraw/zinc/41/96/84/572419684.db2.gz YYXIYMJKWLXISI-JTQLQIEISA-N 0 0 170.296 3.572 10 0 AHAERN CCCC[C@H](C)c1cc(F)ccc1O ZINC000238797213 572419769 /nfs/dbraw/zinc/41/97/69/572419769.db2.gz RMTOEJFHSAUZBS-VIFPVBQESA-N 0 0 196.265 3.825 10 0 AHAERN CCCC[C@H](C)c1ccc(C)cc1O ZINC000238797219 572420775 /nfs/dbraw/zinc/42/07/75/572420775.db2.gz FLPQWRKJNAVNJR-NSHDSACASA-N 0 0 192.302 3.994 10 0 AHAERN CCCC[C@H](C)c1ccc(O)c(C)c1 ZINC000238797231 572421142 /nfs/dbraw/zinc/42/11/42/572421142.db2.gz PZFJQJKLOIEKME-JTQLQIEISA-N 0 0 192.302 3.994 10 0 AHAERN CCCC[C@H](C)c1ccc(O)cc1C ZINC000238797240 572419119 /nfs/dbraw/zinc/41/91/19/572419119.db2.gz HKJVBPSZTJJDBS-JTQLQIEISA-N 0 0 192.302 3.994 10 0 AHAERN CCCC[C@H](C)c1cccc(C)c1N ZINC000238797243 572419566 /nfs/dbraw/zinc/41/95/66/572419566.db2.gz ITPHAVOZVHGQKU-JTQLQIEISA-N 0 0 191.318 3.871 10 0 AHAERN CCCC[C@H](C)c1cccc(O)c1 ZINC000238797249 572419488 /nfs/dbraw/zinc/41/94/88/572419488.db2.gz QWWBEVWGROXLRD-JTQLQIEISA-N 0 0 178.275 3.686 10 0 AHAERN CCCC[C@H](CC)/C(=C\Cl)OC ZINC000238797392 572419874 /nfs/dbraw/zinc/41/98/74/572419874.db2.gz LISOCQSEJZOZHX-WKMLFNHBSA-N 0 0 190.714 3.929 10 0 AHAERN CC[C@@H](C)[C@H](C)Cc1sccc1N ZINC000238797401 344822762 /nfs/dbraw/zinc/82/27/62/344822762.db2.gz KRAYTCWPOHVJDE-RKDXNWHRSA-N 0 0 197.347 3.555 10 0 AHAERN CC[C@@H](CC(C)C)c1ccc(N)cc1 ZINC000238800103 572435079 /nfs/dbraw/zinc/43/50/79/572435079.db2.gz MSNHUUWKKOYQNG-NSHDSACASA-N 0 0 191.318 3.809 10 0 AHAERN CC[C@@H](CC(C)C)c1sccc1N ZINC000238800107 344822930 /nfs/dbraw/zinc/82/29/30/344822930.db2.gz TZTSINBJJNZDDW-VIFPVBQESA-N 0 0 197.347 3.870 10 0 AHAERN C=C(F)c1cc(Cl)cc(Cl)c1 ZINC000238850695 166139924 /nfs/dbraw/zinc/13/99/24/166139924.db2.gz CQEMRLWVRUWPKM-UHFFFAOYSA-N 0 0 191.032 3.934 10 0 AHAERN CCC(CC)[C@]1(O)CCC[C@H](C)[C@H]1C ZINC000250787939 344840990 /nfs/dbraw/zinc/84/09/90/344840990.db2.gz XPQYUAFKNPOMKY-LOWVWBTDSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@]1(O)CCC[C@@H](C)[C@H]1C ZINC000250787940 344840840 /nfs/dbraw/zinc/84/08/40/344840840.db2.gz XPQYUAFKNPOMKY-WZRBSPASSA-N 0 0 198.350 3.610 10 0 AHAERN CCCCC[C@@H]1C[C@H](CC)CC[C@H]1O ZINC000250804614 571805526 /nfs/dbraw/zinc/80/55/26/571805526.db2.gz FINTTXKETXGFAM-JHJVBQTASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@@H]1C[C@@H](CC)CC[C@H]1O ZINC000250804617 571803062 /nfs/dbraw/zinc/80/30/62/571803062.db2.gz FINTTXKETXGFAM-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@@H]1C[C@H](C)CC[C@H]1O ZINC000250819049 571807128 /nfs/dbraw/zinc/80/71/28/571807128.db2.gz KHENCCHZTNCQGZ-JHJVBQTASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000250819053 571807037 /nfs/dbraw/zinc/80/70/37/571807037.db2.gz KHENCCHZTNCQGZ-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@]1(C)C(=O)[C@@H]2CCCCCC[C@H]21 ZINC000251211949 344849416 /nfs/dbraw/zinc/84/94/16/344849416.db2.gz HTIRXZYQBXAIGB-WZRBSPASSA-N 0 0 194.318 3.572 10 0 AHAERN CCCC[C@@H]1C[C@H](CCC)CC[C@H]1O ZINC000251243563 571809450 /nfs/dbraw/zinc/80/94/50/571809450.db2.gz AGKDVPPKBPYFCJ-JHJVBQTASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H]1C[C@@H](CCC)CC[C@H]1O ZINC000251243572 571812534 /nfs/dbraw/zinc/81/25/34/571812534.db2.gz AGKDVPPKBPYFCJ-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@@H]1CCC[C@H]1O ZINC000251283302 571814712 /nfs/dbraw/zinc/81/47/12/571814712.db2.gz FHHIJVUEMSJPJP-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@H]1CCC[C@H]1O ZINC000251283307 571816562 /nfs/dbraw/zinc/81/65/62/571816562.db2.gz FHHIJVUEMSJPJP-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@@H]1CCCCC[C@H]1O ZINC000251292836 571814307 /nfs/dbraw/zinc/81/43/07/571814307.db2.gz HVXVSXUJMQWWJK-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@H]1CCCCC[C@H]1O ZINC000251292838 571815143 /nfs/dbraw/zinc/81/51/43/571815143.db2.gz HVXVSXUJMQWWJK-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@](C)(O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251316345 344851854 /nfs/dbraw/zinc/85/18/54/344851854.db2.gz LCUBPLQPIINMEE-LOWDOPEQSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@](C)(O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251316351 344851907 /nfs/dbraw/zinc/85/19/07/344851907.db2.gz LCUBPLQPIINMEE-MROQNXINSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)C[C@@H]1C[C@H](C)CC[C@H]1O ZINC000251349496 571817318 /nfs/dbraw/zinc/81/73/18/571817318.db2.gz QFPCMGHTRFONHM-UMSGYPCISA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)C[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000251349498 571815302 /nfs/dbraw/zinc/81/53/02/571815302.db2.gz QFPCMGHTRFONHM-WUHRBBMRSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1O ZINC000251361488 571815573 /nfs/dbraw/zinc/81/55/73/571815573.db2.gz PHSZICATXHUFRU-JHJVBQTASA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1O ZINC000251361490 571814383 /nfs/dbraw/zinc/81/43/83/571814383.db2.gz PHSZICATXHUFRU-YNEHKIRRSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@H](CC)C[C@@H](C)[C@H](C)O ZINC000251395650 571813781 /nfs/dbraw/zinc/81/37/81/571813781.db2.gz UYSUOAZBQUNLHD-WOPDTQHZSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H]1CCC[C@@H]([C@H]2CCC(=O)C2)C1 ZINC000251556318 344857952 /nfs/dbraw/zinc/85/79/52/344857952.db2.gz BHVWUVZFWXFLLE-UTUOFQBUSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCC[C@H]([C@H]2CCC(=O)C2)C1 ZINC000251556326 344858081 /nfs/dbraw/zinc/85/80/81/344858081.db2.gz BHVWUVZFWXFLLE-WOPDTQHZSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@@H]1CC[C@@H](C(=O)C(C)(C)C)C[C@H]1C ZINC000251650671 344863390 /nfs/dbraw/zinc/86/33/90/344863390.db2.gz FNYHHSIOPZRKPQ-GMTAPVOTSA-N 0 0 196.334 3.674 10 0 AHAERN C[C@@H]1CC[C@H](C(=O)C(C)(C)C)C[C@H]1C ZINC000251650678 344863729 /nfs/dbraw/zinc/86/37/29/344863729.db2.gz FNYHHSIOPZRKPQ-MXWKQRLJSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)C[C@H](C)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251655762 344863611 /nfs/dbraw/zinc/86/36/11/344863611.db2.gz FVBJMAICMPGQTO-HNCHTBHHSA-N 0 0 196.334 3.674 10 0 AHAERN CC(=O)C[C@H](C)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000251655763 344863411 /nfs/dbraw/zinc/86/34/11/344863411.db2.gz FVBJMAICMPGQTO-SRRSOLGSSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)CC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251751676 344870876 /nfs/dbraw/zinc/87/08/76/344870876.db2.gz JUAYIDMDOHIOIF-IJLUTSLNSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)CC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000251751679 344870542 /nfs/dbraw/zinc/87/05/42/344870542.db2.gz JUAYIDMDOHIOIF-QJPTWQEYSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)CC[C@H](O)[C@H]1CCC[C@H](C)C1 ZINC000251756492 571829782 /nfs/dbraw/zinc/82/97/82/571829782.db2.gz JZGRVNPQPGMGIF-AVGNSLFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC[C@H](O)[C@@H]1CCC[C@H](C)C1 ZINC000251756499 571830530 /nfs/dbraw/zinc/83/05/30/571830530.db2.gz JZGRVNPQPGMGIF-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCCC[C@@H]1[C@H]1CCCC1=O ZINC000251807141 344874424 /nfs/dbraw/zinc/87/44/24/344874424.db2.gz OKFICABMFZLJAV-GRYCIOLGSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@@H]1CCCC[C@H]1[C@H]1CCCC1=O ZINC000251807145 344874868 /nfs/dbraw/zinc/87/48/68/344874868.db2.gz OKFICABMFZLJAV-IJLUTSLNSA-N 0 0 194.318 3.572 10 0 AHAERN CC[C@H](C)[C@](C)(O)[C@H]1CCC[C@H](C)C1 ZINC000251845507 344876757 /nfs/dbraw/zinc/87/67/57/344876757.db2.gz MCJNCEUMFVMSMD-CYDGBPFRSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@](C)(O)[C@H]1CCC[C@@H](C)C1 ZINC000251845508 344876538 /nfs/dbraw/zinc/87/65/38/344876538.db2.gz MCJNCEUMFVMSMD-VOAKCMCISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C[C@H](O)[C@H]1CCC[C@H](C)C1 ZINC000252018771 571825785 /nfs/dbraw/zinc/82/57/85/571825785.db2.gz XAJXVXOYAFRECI-CYDGBPFRSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C[C@H](O)[C@H]1CCC[C@@H](C)C1 ZINC000252018773 571828599 /nfs/dbraw/zinc/82/85/99/571828599.db2.gz XAJXVXOYAFRECI-RNJOBUHISA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252138428 344887872 /nfs/dbraw/zinc/88/78/72/344887872.db2.gz MVDPRMNRLXDIMH-GDNZZTSVSA-N 0 0 196.334 3.674 10 0 AHAERN CCC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C ZINC000252425521 344895601 /nfs/dbraw/zinc/89/56/01/344895601.db2.gz OCOFHWUZSJRGFL-AGIUHOORSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@]1(O)C[C@@H](C)CC[C@H]1C(C)C ZINC000252425522 344895559 /nfs/dbraw/zinc/89/55/59/344895559.db2.gz OCOFHWUZSJRGFL-AVGNSLFASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H]1C[C@]1(O)C[C@H](C)C(C)(C)C ZINC000252579265 572828103 /nfs/dbraw/zinc/82/81/03/572828103.db2.gz NHQDRTBMVPUWTM-DMDPSCGWSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H]1C[C@@]1(O)C[C@H](C)C(C)(C)C ZINC000252579266 572825929 /nfs/dbraw/zinc/82/59/29/572825929.db2.gz NHQDRTBMVPUWTM-LOWVWBTDSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000252579724 344902673 /nfs/dbraw/zinc/90/26/73/344902673.db2.gz OLZZNXHHRIHTCG-GRYCIOLGSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(=O)[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000252579725 344902678 /nfs/dbraw/zinc/90/26/78/344902678.db2.gz OLZZNXHHRIHTCG-SDDRHHMPSA-N 0 0 196.334 3.674 10 0 AHAERN CCC[C@H](O)C[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000252601495 572922454 /nfs/dbraw/zinc/92/24/54/572922454.db2.gz MJVKYLRMPVKTQD-LPWJVIDDSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](O)C[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000252601497 572922471 /nfs/dbraw/zinc/92/24/71/572922471.db2.gz MJVKYLRMPVKTQD-RVMXOQNASA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@@]1(O)C[C@H](C)C[C@H](C)C1 ZINC000252651443 344906307 /nfs/dbraw/zinc/90/63/07/344906307.db2.gz NAMNZERZWYODIL-PTEHBNRSSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@H]1CCC/C(=C/[C@H](C)O)CC1 ZINC000252792344 344914256 /nfs/dbraw/zinc/91/42/56/344914256.db2.gz VJIRSDZCCAQHOV-FTNLVMBUSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@H]1CCC/C(=C/[C@H](C)O)CC1 ZINC000252792345 344914100 /nfs/dbraw/zinc/91/41/00/344914100.db2.gz VJIRSDZCCAQHOV-ZSCUQQAQSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@](C)(O)[C@H]1CCC[C@H](C)C1 ZINC000253023711 344924740 /nfs/dbraw/zinc/92/47/40/344924740.db2.gz LWBUHJMZTJLKHN-AVGNSLFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@](C)(O)[C@@H]1CCC[C@H](C)C1 ZINC000253023713 344924584 /nfs/dbraw/zinc/92/45/84/344924584.db2.gz LWBUHJMZTJLKHN-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000253194664 344931080 /nfs/dbraw/zinc/93/10/80/344931080.db2.gz QLPYJSORBLGJLD-GRYCIOLGSA-N 0 0 194.318 3.572 10 0 AHAERN CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000253194666 344930740 /nfs/dbraw/zinc/93/07/40/344930740.db2.gz QLPYJSORBLGJLD-SDDRHHMPSA-N 0 0 194.318 3.572 10 0 AHAERN CCC[C@@H]1CC[C@H](CCC)CC[C@@H]1O ZINC000256225108 573950797 /nfs/dbraw/zinc/95/07/97/573950797.db2.gz KIEMWGYALRFBKY-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)[C@@]1(O)[C@@H](C)CCCC1(C)C ZINC000256230342 573950937 /nfs/dbraw/zinc/95/09/37/573950937.db2.gz RSHUKBBFMRSTLG-GMXVVIOVSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@]1(O)[C@@H](C)CCCC1(C)C ZINC000256230345 573951948 /nfs/dbraw/zinc/95/19/48/573951948.db2.gz RSHUKBBFMRSTLG-GVXVVHGQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)c1cc(N)oc1CC(C)(C)C ZINC000257586203 572862938 /nfs/dbraw/zinc/86/29/38/572862938.db2.gz WHUFXEKWJZGTNU-UHFFFAOYSA-N 0 0 195.306 3.574 10 0 AHAERN CCC[C@@H]1CCNc2ccc(F)cc21 ZINC000257810394 573406435 /nfs/dbraw/zinc/40/64/35/573406435.db2.gz AJSXFLKRUKXVQF-SECBINFHSA-N 0 0 193.265 3.525 10 0 AHAERN CCC[C@H]1CCNc2ccc(F)cc21 ZINC000257810395 573406816 /nfs/dbraw/zinc/40/68/16/573406816.db2.gz AJSXFLKRUKXVQF-VIFPVBQESA-N 0 0 193.265 3.525 10 0 AHAERN CCC[C@@H]1CCNc2cc(F)ccc21 ZINC000257812293 573431310 /nfs/dbraw/zinc/43/13/10/573431310.db2.gz BQTLARJAEHVBPU-SECBINFHSA-N 0 0 193.265 3.525 10 0 AHAERN CCC[C@H]1CCNc2cc(F)ccc21 ZINC000257812294 573433824 /nfs/dbraw/zinc/43/38/24/573433824.db2.gz BQTLARJAEHVBPU-VIFPVBQESA-N 0 0 193.265 3.525 10 0 AHAERN CC(C)(C)Cc1cc(Cl)ccc1N ZINC000257813019 573437416 /nfs/dbraw/zinc/43/74/16/573437416.db2.gz CAIIRIHTTMRMFV-UHFFFAOYSA-N 0 0 197.709 3.511 10 0 AHAERN CC(C)(C)Cc1cccc(Cl)c1N ZINC000257827111 573525918 /nfs/dbraw/zinc/52/59/18/573525918.db2.gz HUQHMEQNSYXFLO-UHFFFAOYSA-N 0 0 197.709 3.511 10 0 AHAERN CCC[C@@H]1CCNc2c(F)cccc21 ZINC000257827637 573528279 /nfs/dbraw/zinc/52/82/79/573528279.db2.gz IAHFFTLINBIYBW-SECBINFHSA-N 0 0 193.265 3.525 10 0 AHAERN CCC[C@H]1CCNc2c(F)cccc21 ZINC000257827638 573527931 /nfs/dbraw/zinc/52/79/31/573527931.db2.gz IAHFFTLINBIYBW-VIFPVBQESA-N 0 0 193.265 3.525 10 0 AHAERN C[C@@H]1C[C@@H](C)c2ccc(Cl)cc2N1 ZINC000257831200 573563274 /nfs/dbraw/zinc/56/32/74/573563274.db2.gz JHBIWXALHSHHLH-HTQZYQBOSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@@H]1C[C@H](C)c2ccc(Cl)cc2N1 ZINC000257831201 573566062 /nfs/dbraw/zinc/56/60/62/573566062.db2.gz JHBIWXALHSHHLH-JGVFFNPUSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@@H]1C[C@H](C)Nc2cc(Cl)ccc21 ZINC000257831202 573567227 /nfs/dbraw/zinc/56/72/27/573567227.db2.gz JHBIWXALHSHHLH-SFYZADRCSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@H]1C[C@H](C)c2ccc(Cl)cc2N1 ZINC000257831203 573565525 /nfs/dbraw/zinc/56/55/25/573565525.db2.gz JHBIWXALHSHHLH-YUMQZZPRSA-N 0 0 195.693 3.648 10 0 AHAERN CC(C)CCc1cc(Cl)ccc1N ZINC000257839318 351852956 /nfs/dbraw/zinc/85/29/56/351852956.db2.gz LPCUQGMVZPDOFX-UHFFFAOYSA-N 0 0 197.709 3.511 10 0 AHAERN CC(C)(C)Cc1ccc(Cl)c(N)c1 ZINC000257841872 573653820 /nfs/dbraw/zinc/65/38/20/573653820.db2.gz BWHMLRKMVFVEMH-UHFFFAOYSA-N 0 0 197.709 3.511 10 0 AHAERN CSCc1coc2cccc(C)c12 ZINC000257845636 573638099 /nfs/dbraw/zinc/63/80/99/573638099.db2.gz ADDKBCHCJPAZQW-UHFFFAOYSA-N 0 0 192.283 3.604 10 0 AHAERN CC(C)c1ccc(C(C)(C)C)c(N)c1 ZINC000257849004 573698605 /nfs/dbraw/zinc/69/86/05/573698605.db2.gz OJFGJPSAIGNROC-UHFFFAOYSA-N 0 0 191.318 3.690 10 0 AHAERN CC(C)(C)[C@](C)(F)c1cccc(O)c1 ZINC000257849722 573706744 /nfs/dbraw/zinc/70/67/44/573706744.db2.gz DPZRICGVOWAGPT-GFCCVEGCSA-N 0 0 196.265 3.623 10 0 AHAERN Cc1ccc2ncc(Cl)c(C)c2c1 ZINC000257849723 573707252 /nfs/dbraw/zinc/70/72/52/573707252.db2.gz OMGRCRXDWZIGDO-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CC(C)(C)[C@@](C)(F)c1cccc(O)c1 ZINC000257849724 573706813 /nfs/dbraw/zinc/70/68/13/573706813.db2.gz DPZRICGVOWAGPT-LBPRGKRZSA-N 0 0 196.265 3.623 10 0 AHAERN CSCc1cc2cccc(C)c2o1 ZINC000257853060 573737450 /nfs/dbraw/zinc/73/74/50/573737450.db2.gz CHEFMGJXKVODEN-UHFFFAOYSA-N 0 0 192.283 3.604 10 0 AHAERN CC[C@@H]1CCNc2c(Cl)cccc21 ZINC000257863055 573748043 /nfs/dbraw/zinc/74/80/43/573748043.db2.gz RIHOFHHJPNGSDS-MRVPVSSYSA-N 0 0 195.693 3.649 10 0 AHAERN CC[C@H]1CCNc2c(Cl)cccc21 ZINC000257863058 573749153 /nfs/dbraw/zinc/74/91/53/573749153.db2.gz RIHOFHHJPNGSDS-QMMMGPOBSA-N 0 0 195.693 3.649 10 0 AHAERN CC[C@@H]1CCNc2ccc(Cl)cc21 ZINC000257863909 573747496 /nfs/dbraw/zinc/74/74/96/573747496.db2.gz RRMMPKRPGOWDPD-MRVPVSSYSA-N 0 0 195.693 3.649 10 0 AHAERN CC[C@H]1CCNc2ccc(Cl)cc21 ZINC000257863913 573749076 /nfs/dbraw/zinc/74/90/76/573749076.db2.gz RRMMPKRPGOWDPD-QMMMGPOBSA-N 0 0 195.693 3.649 10 0 AHAERN Cc1cccc2c(C)c(Cl)cnc12 ZINC000257884540 573825012 /nfs/dbraw/zinc/82/50/12/573825012.db2.gz VZCWQTRAJJXHDW-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CSCc1cc2ccc(C)cc2o1 ZINC000257886418 573830902 /nfs/dbraw/zinc/83/09/02/573830902.db2.gz LJHISJJLWQPIPG-UHFFFAOYSA-N 0 0 192.283 3.604 10 0 AHAERN Cc1ccc2c(C)c(Cl)cnc2c1 ZINC000257892949 573885078 /nfs/dbraw/zinc/88/50/78/573885078.db2.gz XNISXDDYGHHBIA-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CSCc1coc2cc(C)ccc12 ZINC000257894109 573891721 /nfs/dbraw/zinc/89/17/21/573891721.db2.gz MXLJYFHYLWLILR-UHFFFAOYSA-N 0 0 192.283 3.604 10 0 AHAERN C[C@@H]1C[C@@H](C)c2cc(Cl)ccc2N1 ZINC000257894958 573895671 /nfs/dbraw/zinc/89/56/71/573895671.db2.gz XVTKEVWMEPEEAB-HTQZYQBOSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@@H]1C[C@H](C)c2cc(Cl)ccc2N1 ZINC000257894960 573894889 /nfs/dbraw/zinc/89/48/89/573894889.db2.gz XVTKEVWMEPEEAB-JGVFFNPUSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@@H]1C[C@H](C)Nc2ccc(Cl)cc21 ZINC000257894962 573898511 /nfs/dbraw/zinc/89/85/11/573898511.db2.gz XVTKEVWMEPEEAB-SFYZADRCSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@H]1C[C@H](C)c2cc(Cl)ccc2N1 ZINC000257894964 573897220 /nfs/dbraw/zinc/89/72/20/573897220.db2.gz XVTKEVWMEPEEAB-YUMQZZPRSA-N 0 0 195.693 3.648 10 0 AHAERN CSCc1coc2ccc(C)cc12 ZINC000257913463 573960882 /nfs/dbraw/zinc/96/08/82/573960882.db2.gz QCZREJKPTQKMSI-UHFFFAOYSA-N 0 0 192.283 3.604 10 0 AHAERN CSCc1cc2c(cccc2C)o1 ZINC000257918070 573001087 /nfs/dbraw/zinc/00/10/87/573001087.db2.gz QTUDMLPMONDCQF-UHFFFAOYSA-N 0 0 192.283 3.604 10 0 AHAERN Cc1c(O)ccc2c(Cl)cccc12 ZINC000257922471 573006154 /nfs/dbraw/zinc/00/61/54/573006154.db2.gz AUDCENNFBBOWHT-UHFFFAOYSA-N 0 0 192.645 3.507 10 0 AHAERN CSCc1coc2c1cccc2C ZINC000257936680 573052801 /nfs/dbraw/zinc/05/28/01/573052801.db2.gz URVWNMBDBWPYHA-UHFFFAOYSA-N 0 0 192.283 3.604 10 0 AHAERN C[C@@H]1C[C@@H](C)c2c(Cl)cccc2N1 ZINC000257948706 573122010 /nfs/dbraw/zinc/12/20/10/573122010.db2.gz FINXYQVWKJIWBM-HTQZYQBOSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@@H]1C[C@H](C)c2c(Cl)cccc2N1 ZINC000257948710 573121706 /nfs/dbraw/zinc/12/17/06/573121706.db2.gz FINXYQVWKJIWBM-JGVFFNPUSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@@H]1C[C@H](C)Nc2cccc(Cl)c21 ZINC000257948714 573122508 /nfs/dbraw/zinc/12/25/08/573122508.db2.gz FINXYQVWKJIWBM-SFYZADRCSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@H]1C[C@H](C)c2c(Cl)cccc2N1 ZINC000257948719 573120974 /nfs/dbraw/zinc/12/09/74/573120974.db2.gz FINXYQVWKJIWBM-YUMQZZPRSA-N 0 0 195.693 3.648 10 0 AHAERN CSCc1cc2cc(C)ccc2o1 ZINC000257950777 573128311 /nfs/dbraw/zinc/12/83/11/573128311.db2.gz WZHDLXWZZSZWCH-UHFFFAOYSA-N 0 0 192.283 3.604 10 0 AHAERN CCC(CC)c1ccccc1[C@H](C)O ZINC000257981808 573258010 /nfs/dbraw/zinc/25/80/10/573258010.db2.gz DWDLQXYMBNHDOL-JTQLQIEISA-N 0 0 192.302 3.644 10 0 AHAERN CCC(CC)c1ccccc1[C@@H](C)O ZINC000257981811 573259075 /nfs/dbraw/zinc/25/90/75/573259075.db2.gz DWDLQXYMBNHDOL-SNVBAGLBSA-N 0 0 192.302 3.644 10 0 AHAERN Cc1c(O)ccc2ccc(Cl)cc12 ZINC000257983771 573250841 /nfs/dbraw/zinc/25/08/41/573250841.db2.gz DEGOCRXTMJKPIG-UHFFFAOYSA-N 0 0 192.645 3.507 10 0 AHAERN Clc1ccc2c(Cl)cncc2c1 ZINC000257986367 573265106 /nfs/dbraw/zinc/26/51/06/573265106.db2.gz DXRMGFOZUCAWDT-UHFFFAOYSA-N 0 0 198.052 3.542 10 0 AHAERN CC(=O)c1cc(C(C)C)cc(C)c1C ZINC000258006199 573351514 /nfs/dbraw/zinc/35/15/14/573351514.db2.gz GZPLOSIZMKOWAO-UHFFFAOYSA-N 0 0 190.286 3.629 10 0 AHAERN CC[C@]1(C)Nc2ccc(C)cc2[C@@H]1C ZINC000258045805 573480159 /nfs/dbraw/zinc/48/01/59/573480159.db2.gz FLQSLJSXHCRULU-GWCFXTLKSA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@@]1(C)Nc2ccc(C)cc2[C@@H]1C ZINC000258045815 573478531 /nfs/dbraw/zinc/47/85/31/573478531.db2.gz FLQSLJSXHCRULU-GXFFZTMASA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@]1(C)Nc2ccc(C)cc2[C@H]1C ZINC000258045828 573480732 /nfs/dbraw/zinc/48/07/32/573480732.db2.gz FLQSLJSXHCRULU-MFKMUULPSA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@@]1(C)Nc2ccc(C)cc2[C@H]1C ZINC000258045840 573478959 /nfs/dbraw/zinc/47/89/59/573478959.db2.gz FLQSLJSXHCRULU-ZWNOBZJWSA-N 0 0 189.302 3.693 10 0 AHAERN CC(C)(C)[C@](C)(F)c1ccccc1O ZINC000258050640 573513445 /nfs/dbraw/zinc/51/34/45/573513445.db2.gz KASSUQVNCOFLCX-GFCCVEGCSA-N 0 0 196.265 3.623 10 0 AHAERN CC(C)(C)[C@@](C)(F)c1ccccc1O ZINC000258050642 573509549 /nfs/dbraw/zinc/50/95/49/573509549.db2.gz KASSUQVNCOFLCX-LBPRGKRZSA-N 0 0 196.265 3.623 10 0 AHAERN CCc1oc(Cl)nc1C1CCCC1 ZINC000258069026 573609282 /nfs/dbraw/zinc/60/92/82/573609282.db2.gz LGZZDWGZBAKYMD-UHFFFAOYSA-N 0 0 199.681 3.548 10 0 AHAERN CCc1ccc(C(C)C)c(C(C)=O)c1 ZINC000258078128 573672746 /nfs/dbraw/zinc/67/27/46/573672746.db2.gz MULDPLZOFKLKRJ-UHFFFAOYSA-N 0 0 190.286 3.575 10 0 AHAERN CC1(C)CC(C)(C)c2ccccc2N1 ZINC000258080336 573677607 /nfs/dbraw/zinc/67/76/07/573677607.db2.gz VLMSXHUFKZPADP-UHFFFAOYSA-N 0 0 189.302 3.558 10 0 AHAERN CC[C@@]1(C)C[C@H](C)c2ccccc2N1 ZINC000258086086 573695833 /nfs/dbraw/zinc/69/58/33/573695833.db2.gz HROLIUJGWSKRBU-GWCFXTLKSA-N 0 0 189.302 3.774 10 0 AHAERN CC[C@]1(C)C[C@H](C)c2ccccc2N1 ZINC000258086090 573698282 /nfs/dbraw/zinc/69/82/82/573698282.db2.gz HROLIUJGWSKRBU-GXFFZTMASA-N 0 0 189.302 3.774 10 0 AHAERN CC[C@@]1(C)C[C@@H](C)c2ccccc2N1 ZINC000258086093 573693828 /nfs/dbraw/zinc/69/38/28/573693828.db2.gz HROLIUJGWSKRBU-MFKMUULPSA-N 0 0 189.302 3.774 10 0 AHAERN CC[C@]1(C)C[C@@H](C)c2ccccc2N1 ZINC000258086097 573695421 /nfs/dbraw/zinc/69/54/21/573695421.db2.gz HROLIUJGWSKRBU-ZWNOBZJWSA-N 0 0 189.302 3.774 10 0 AHAERN C[C@@H]1c2ccc(Cl)cc2NC1(C)C ZINC000258103979 573724039 /nfs/dbraw/zinc/72/40/39/573724039.db2.gz IQRRUKBSRSYFLG-SSDOTTSWSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@H]1c2ccc(Cl)cc2NC1(C)C ZINC000258103988 573721575 /nfs/dbraw/zinc/72/15/75/573721575.db2.gz IQRRUKBSRSYFLG-ZETCQYMHSA-N 0 0 195.693 3.648 10 0 AHAERN CCC(CC)c1ccc([C@H](C)O)cc1 ZINC000258121152 573757756 /nfs/dbraw/zinc/75/77/56/573757756.db2.gz QNSSJVAJSMUAEK-JTQLQIEISA-N 0 0 192.302 3.644 10 0 AHAERN CCC(CC)c1ccc([C@@H](C)O)cc1 ZINC000258121153 573759794 /nfs/dbraw/zinc/75/97/94/573759794.db2.gz QNSSJVAJSMUAEK-SNVBAGLBSA-N 0 0 192.302 3.644 10 0 AHAERN CC(C)(C)[C@](C)(F)c1ccc(O)cc1 ZINC000258121896 573765171 /nfs/dbraw/zinc/76/51/71/573765171.db2.gz PPHRCMJLBFOVNP-GFCCVEGCSA-N 0 0 196.265 3.623 10 0 AHAERN CC(C)(C)[C@@](C)(F)c1ccc(O)cc1 ZINC000258121899 573762263 /nfs/dbraw/zinc/76/22/63/573762263.db2.gz PPHRCMJLBFOVNP-LBPRGKRZSA-N 0 0 196.265 3.623 10 0 AHAERN CC[C@@H](C)c1ccc(C=O)cc1Cl ZINC000258131462 573803703 /nfs/dbraw/zinc/80/37/03/573803703.db2.gz ROHREPAVZPIVOO-MRVPVSSYSA-N 0 0 196.677 3.666 10 0 AHAERN CC[C@H](C)c1ccc(C=O)cc1Cl ZINC000258131466 573803279 /nfs/dbraw/zinc/80/32/79/573803279.db2.gz ROHREPAVZPIVOO-QMMMGPOBSA-N 0 0 196.677 3.666 10 0 AHAERN CC(C)c1ccc([C@@H](C)O)cc1Cl ZINC000258131957 573804712 /nfs/dbraw/zinc/80/47/12/573804712.db2.gz NGJNWTVRXILDOV-MRVPVSSYSA-N 0 0 198.693 3.517 10 0 AHAERN CC(C)c1ccc([C@H](C)O)cc1Cl ZINC000258131958 573804281 /nfs/dbraw/zinc/80/42/81/573804281.db2.gz NGJNWTVRXILDOV-QMMMGPOBSA-N 0 0 198.693 3.517 10 0 AHAERN CCC(CC)c1cccc([C@H](C)O)c1 ZINC000258140915 573815534 /nfs/dbraw/zinc/81/55/34/573815534.db2.gz SMGRQXJCOPQEAJ-JTQLQIEISA-N 0 0 192.302 3.644 10 0 AHAERN CCC(CC)c1cccc([C@@H](C)O)c1 ZINC000258140948 573813074 /nfs/dbraw/zinc/81/30/74/573813074.db2.gz SMGRQXJCOPQEAJ-SNVBAGLBSA-N 0 0 192.302 3.644 10 0 AHAERN CC[C@]1(C)Nc2c(cccc2C)[C@@H]1C ZINC000258169567 573872756 /nfs/dbraw/zinc/87/27/56/573872756.db2.gz MFOLMNWQAWDDOK-GWCFXTLKSA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@@]1(C)Nc2c(cccc2C)[C@@H]1C ZINC000258169573 573876118 /nfs/dbraw/zinc/87/61/18/573876118.db2.gz MFOLMNWQAWDDOK-GXFFZTMASA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@]1(C)Nc2c(cccc2C)[C@H]1C ZINC000258169578 573874290 /nfs/dbraw/zinc/87/42/90/573874290.db2.gz MFOLMNWQAWDDOK-MFKMUULPSA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@@]1(C)Nc2c(cccc2C)[C@H]1C ZINC000258169582 573871874 /nfs/dbraw/zinc/87/18/74/573871874.db2.gz MFOLMNWQAWDDOK-ZWNOBZJWSA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@]1(C)Nc2cc(F)ccc2[C@H]1C ZINC000258175732 573897236 /nfs/dbraw/zinc/89/72/36/573897236.db2.gz MPFODCCDVCTXRN-PELKAZGASA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@@]1(C)Nc2cc(F)ccc2[C@H]1C ZINC000258175738 573899872 /nfs/dbraw/zinc/89/98/72/573899872.db2.gz MPFODCCDVCTXRN-PRHODGIISA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@@]1(C)Nc2cc(F)ccc2[C@@H]1C ZINC000258175745 573900700 /nfs/dbraw/zinc/90/07/00/573900700.db2.gz MPFODCCDVCTXRN-QPUJVOFHSA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@]1(C)Nc2cc(F)ccc2[C@@H]1C ZINC000258175752 573898809 /nfs/dbraw/zinc/89/88/09/573898809.db2.gz MPFODCCDVCTXRN-UFBFGSQYSA-N 0 0 193.265 3.523 10 0 AHAERN C[C@@H]1c2cc(Cl)ccc2NC1(C)C ZINC000258192592 573974915 /nfs/dbraw/zinc/97/49/15/573974915.db2.gz NLBKLRZWUXBONV-SSDOTTSWSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@H]1c2cc(Cl)ccc2NC1(C)C ZINC000258192594 573973458 /nfs/dbraw/zinc/97/34/58/573973458.db2.gz NLBKLRZWUXBONV-ZETCQYMHSA-N 0 0 195.693 3.648 10 0 AHAERN Clc1ccc2cncc(Cl)c2c1 ZINC000258192697 573974597 /nfs/dbraw/zinc/97/45/97/573974597.db2.gz WCLGVCLVYAHFJV-UHFFFAOYSA-N 0 0 198.052 3.542 10 0 AHAERN Clc1cccc2c(Cl)cncc12 ZINC000258212773 573000707 /nfs/dbraw/zinc/00/07/07/573000707.db2.gz XUXXOVNSQNSDRV-UHFFFAOYSA-N 0 0 198.052 3.542 10 0 AHAERN CC[C@]1(C)Nc2ccc(F)cc2[C@H]1C ZINC000258213972 573003282 /nfs/dbraw/zinc/00/32/82/573003282.db2.gz OWMVAAHWDUBYCC-PELKAZGASA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@@]1(C)Nc2ccc(F)cc2[C@H]1C ZINC000258213975 573006779 /nfs/dbraw/zinc/00/67/79/573006779.db2.gz OWMVAAHWDUBYCC-PRHODGIISA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@@]1(C)Nc2ccc(F)cc2[C@@H]1C ZINC000258213978 573007554 /nfs/dbraw/zinc/00/75/54/573007554.db2.gz OWMVAAHWDUBYCC-QPUJVOFHSA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@]1(C)Nc2ccc(F)cc2[C@@H]1C ZINC000258213980 573006653 /nfs/dbraw/zinc/00/66/53/573006653.db2.gz OWMVAAHWDUBYCC-UFBFGSQYSA-N 0 0 193.265 3.523 10 0 AHAERN CC(C)c1cc(Cl)cc([C@@H](C)O)c1 ZINC000258222227 573012524 /nfs/dbraw/zinc/01/25/24/573012524.db2.gz VBMBTMSOBCPXFQ-MRVPVSSYSA-N 0 0 198.693 3.517 10 0 AHAERN CC(C)c1cc(Cl)cc([C@H](C)O)c1 ZINC000258222230 573011315 /nfs/dbraw/zinc/01/13/15/573011315.db2.gz VBMBTMSOBCPXFQ-QMMMGPOBSA-N 0 0 198.693 3.517 10 0 AHAERN Cc1ccc2ccc(N)c(C(C)C)c2c1 ZINC000258223668 573019187 /nfs/dbraw/zinc/01/91/87/573019187.db2.gz OUHSOWHRQQMVAV-UHFFFAOYSA-N 0 0 199.297 3.854 10 0 AHAERN Cc1c(O)ccc2cc(Cl)ccc12 ZINC000258239806 573225439 /nfs/dbraw/zinc/22/54/39/573225439.db2.gz PPFNUVRMMQBMSZ-UHFFFAOYSA-N 0 0 192.645 3.507 10 0 AHAERN CC[C@]1(C)Nc2cccc(F)c2[C@H]1C ZINC000258239943 573228748 /nfs/dbraw/zinc/22/87/48/573228748.db2.gz QPGRWSBLTFWIMC-PELKAZGASA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@@]1(C)Nc2cccc(F)c2[C@H]1C ZINC000258239960 573229499 /nfs/dbraw/zinc/22/94/99/573229499.db2.gz QPGRWSBLTFWIMC-PRHODGIISA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@@]1(C)Nc2cccc(F)c2[C@@H]1C ZINC000258239978 573229583 /nfs/dbraw/zinc/22/95/83/573229583.db2.gz QPGRWSBLTFWIMC-QPUJVOFHSA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@]1(C)Nc2cccc(F)c2[C@@H]1C ZINC000258239999 573230688 /nfs/dbraw/zinc/23/06/88/573230688.db2.gz QPGRWSBLTFWIMC-UFBFGSQYSA-N 0 0 193.265 3.523 10 0 AHAERN Cc1ccc2c(Cl)nc(C)cc2c1 ZINC000258240354 538287645 /nfs/dbraw/zinc/28/76/45/538287645.db2.gz PRCXKWATBMJEBY-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN C[C@@H]1CC(C)(C)Nc2c(F)cccc21 ZINC000258287696 538288801 /nfs/dbraw/zinc/28/88/01/538288801.db2.gz UGICCQSDNDFAJC-MRVPVSSYSA-N 0 0 193.265 3.523 10 0 AHAERN C[C@H]1CC(C)(C)Nc2c(F)cccc21 ZINC000258287697 538288715 /nfs/dbraw/zinc/28/87/15/538288715.db2.gz UGICCQSDNDFAJC-QMMMGPOBSA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@]1(C)Nc2cc(C)ccc2[C@@H]1C ZINC000258298046 573359808 /nfs/dbraw/zinc/35/98/08/573359808.db2.gz UVXMGCDYNWGZOP-GWCFXTLKSA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@@]1(C)Nc2cc(C)ccc2[C@@H]1C ZINC000258298050 573359686 /nfs/dbraw/zinc/35/96/86/573359686.db2.gz UVXMGCDYNWGZOP-GXFFZTMASA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@]1(C)Nc2cc(C)ccc2[C@H]1C ZINC000258298054 573358356 /nfs/dbraw/zinc/35/83/56/573358356.db2.gz UVXMGCDYNWGZOP-MFKMUULPSA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@@]1(C)Nc2cc(C)ccc2[C@H]1C ZINC000258298057 573359480 /nfs/dbraw/zinc/35/94/80/573359480.db2.gz UVXMGCDYNWGZOP-ZWNOBZJWSA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@]1(C)Nc2c(cccc2F)[C@H]1C ZINC000258305351 573338711 /nfs/dbraw/zinc/33/87/11/573338711.db2.gz VIPCTGVJYVQWCC-PELKAZGASA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@@]1(C)Nc2c(cccc2F)[C@H]1C ZINC000258305356 573338730 /nfs/dbraw/zinc/33/87/30/573338730.db2.gz VIPCTGVJYVQWCC-PRHODGIISA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@@]1(C)Nc2c(cccc2F)[C@@H]1C ZINC000258305358 573337693 /nfs/dbraw/zinc/33/76/93/573337693.db2.gz VIPCTGVJYVQWCC-QPUJVOFHSA-N 0 0 193.265 3.523 10 0 AHAERN CC[C@]1(C)Nc2c(cccc2F)[C@@H]1C ZINC000258305359 573338030 /nfs/dbraw/zinc/33/80/30/573338030.db2.gz VIPCTGVJYVQWCC-UFBFGSQYSA-N 0 0 193.265 3.523 10 0 AHAERN C[C@@H]1c2c(cccc2Cl)NC1(C)C ZINC000258310097 573389140 /nfs/dbraw/zinc/38/91/40/573389140.db2.gz VSGKHOHGDSMCIR-SSDOTTSWSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@H]1c2c(cccc2Cl)NC1(C)C ZINC000258310102 573391542 /nfs/dbraw/zinc/39/15/42/573391542.db2.gz VSGKHOHGDSMCIR-ZETCQYMHSA-N 0 0 195.693 3.648 10 0 AHAERN Cc1c(O)ccc2cccc(Cl)c12 ZINC000258325757 573370392 /nfs/dbraw/zinc/37/03/92/573370392.db2.gz UPPHRPQQJZMZND-UHFFFAOYSA-N 0 0 192.645 3.507 10 0 AHAERN C[C@@H]1c2cccc(Cl)c2NC1(C)C ZINC000258331721 573375284 /nfs/dbraw/zinc/37/52/84/573375284.db2.gz XGALPSKFXYBTBO-SSDOTTSWSA-N 0 0 195.693 3.648 10 0 AHAERN C[C@H]1c2cccc(Cl)c2NC1(C)C ZINC000258331724 573377496 /nfs/dbraw/zinc/37/74/96/573377496.db2.gz XGALPSKFXYBTBO-ZETCQYMHSA-N 0 0 195.693 3.648 10 0 AHAERN CC[C@]1(C)Nc2cccc(C)c2[C@@H]1C ZINC000258370046 573463981 /nfs/dbraw/zinc/46/39/81/573463981.db2.gz ZWHLPFCBCZQRQN-GWCFXTLKSA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@@]1(C)Nc2cccc(C)c2[C@@H]1C ZINC000258370049 573459605 /nfs/dbraw/zinc/45/96/05/573459605.db2.gz ZWHLPFCBCZQRQN-GXFFZTMASA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@]1(C)Nc2cccc(C)c2[C@H]1C ZINC000258370051 573460656 /nfs/dbraw/zinc/46/06/56/573460656.db2.gz ZWHLPFCBCZQRQN-MFKMUULPSA-N 0 0 189.302 3.693 10 0 AHAERN CC[C@@]1(C)Nc2cccc(C)c2[C@H]1C ZINC000258370054 573462093 /nfs/dbraw/zinc/46/20/93/573462093.db2.gz ZWHLPFCBCZQRQN-ZWNOBZJWSA-N 0 0 189.302 3.693 10 0 AHAERN CC(=O)C1(C2CCCCC2)CCCC1 ZINC000258534208 573131751 /nfs/dbraw/zinc/13/17/51/573131751.db2.gz GLZDPOQDHJOEJA-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CCSCc1coc2ccccc12 ZINC000258599093 573229669 /nfs/dbraw/zinc/22/96/69/573229669.db2.gz JXMGVDFHBQOKOO-UHFFFAOYSA-N 0 0 192.283 3.686 10 0 AHAERN Cc1cc(C)c(CC(C)(F)F)c(C)c1 ZINC000258692529 573491702 /nfs/dbraw/zinc/49/17/02/573491702.db2.gz GRCVBTUBGBCAAB-UHFFFAOYSA-N 0 0 198.256 3.810 10 0 AHAERN FC1(F)CC[C@@H](c2cccs2)C1 ZINC000258712931 573509020 /nfs/dbraw/zinc/50/90/20/573509020.db2.gz HWSXJGFUSXMHRM-SSDOTTSWSA-N 0 0 188.242 3.651 10 0 AHAERN FC1(F)CC[C@H](c2cccs2)C1 ZINC000258712932 573506125 /nfs/dbraw/zinc/50/61/25/573506125.db2.gz HWSXJGFUSXMHRM-ZETCQYMHSA-N 0 0 188.242 3.651 10 0 AHAERN Cc1ccc(C)c(CC(C)(F)F)c1 ZINC000258776676 573564464 /nfs/dbraw/zinc/56/44/64/573564464.db2.gz LOUTVEGARUADID-UHFFFAOYSA-N 0 0 184.229 3.501 10 0 AHAERN Cc1ccccc1[C@H]1CCC(F)(F)C1 ZINC000258831270 573646774 /nfs/dbraw/zinc/64/67/74/573646774.db2.gz PEFKOHHEQOWIJB-JTQLQIEISA-N 0 0 196.240 3.898 10 0 AHAERN Cc1ccccc1[C@@H]1CCC(F)(F)C1 ZINC000258831275 573644685 /nfs/dbraw/zinc/64/46/85/573644685.db2.gz PEFKOHHEQOWIJB-SNVBAGLBSA-N 0 0 196.240 3.898 10 0 AHAERN CC(F)(F)Cc1cccc(Cl)c1 ZINC000258841538 573651394 /nfs/dbraw/zinc/65/13/94/573651394.db2.gz PUSBMQYWKXYPAJ-UHFFFAOYSA-N 0 0 190.620 3.538 10 0 AHAERN FC1(F)CC[C@@H](C2CCCC2)C1 ZINC000258867322 573676389 /nfs/dbraw/zinc/67/63/89/573676389.db2.gz RQWPKFBKLCAJLA-SECBINFHSA-N 0 0 174.234 3.612 10 0 AHAERN FC1(F)CC[C@H](C2CCCC2)C1 ZINC000258867327 573675375 /nfs/dbraw/zinc/67/53/75/573675375.db2.gz RQWPKFBKLCAJLA-VIFPVBQESA-N 0 0 174.234 3.612 10 0 AHAERN CC(F)(F)Cc1ccc(Cl)cc1 ZINC000258870275 573676643 /nfs/dbraw/zinc/67/66/43/573676643.db2.gz RYXXBSLMYCTSLO-UHFFFAOYSA-N 0 0 190.620 3.538 10 0 AHAERN FC1(F)CC[C@H](c2ccccc2)C1 ZINC000258900059 573745123 /nfs/dbraw/zinc/74/51/23/573745123.db2.gz UWGMWCZLNMGAAG-JTQLQIEISA-N 0 0 182.213 3.589 10 0 AHAERN FC1(F)CC[C@@H](c2ccccc2)C1 ZINC000258900061 573743761 /nfs/dbraw/zinc/74/37/61/573743761.db2.gz UWGMWCZLNMGAAG-SNVBAGLBSA-N 0 0 182.213 3.589 10 0 AHAERN Cc1ccc(C)c(C(F)(F)C2CC2)c1 ZINC000258927900 573768207 /nfs/dbraw/zinc/76/82/07/573768207.db2.gz AEHCCIGKIYRJKI-UHFFFAOYSA-N 0 0 196.240 3.805 10 0 AHAERN Cc1ccc(C(C)(F)F)c(C)c1C ZINC000258932722 573770165 /nfs/dbraw/zinc/77/01/65/573770165.db2.gz AYRMUDJKYWPTOL-UHFFFAOYSA-N 0 0 184.229 3.724 10 0 AHAERN CCC(F)(F)c1ccc(F)c(C)c1 ZINC000258934722 573774022 /nfs/dbraw/zinc/77/40/22/573774022.db2.gz BHKLOLZFYGUSDG-UHFFFAOYSA-N 0 0 188.192 3.636 10 0 AHAERN CC(F)(F)c1coc2ccccc21 ZINC000258934774 573774510 /nfs/dbraw/zinc/77/45/10/573774510.db2.gz BIKXBKUMGRGDDS-UHFFFAOYSA-N 0 0 182.169 3.545 10 0 AHAERN Cc1cccc(C(F)(F)C(C)C)c1 ZINC000258936021 573777688 /nfs/dbraw/zinc/77/76/88/573777688.db2.gz BNZYVTOFSCRECZ-UHFFFAOYSA-N 0 0 184.229 3.743 10 0 AHAERN CC(F)(F)c1cc(Cl)ccc1F ZINC000258937730 573782285 /nfs/dbraw/zinc/78/22/85/573782285.db2.gz BXPPBDGBIBEWOX-UHFFFAOYSA-N 0 0 194.583 3.591 10 0 AHAERN Cc1cc(C)c(C(C)(F)F)cc1C ZINC000258941901 573790292 /nfs/dbraw/zinc/79/02/92/573790292.db2.gz COZKXQIVLGAGIK-UHFFFAOYSA-N 0 0 184.229 3.724 10 0 AHAERN Cc1cccc([C@@H]2CCC(F)(F)C2)c1 ZINC000258942640 573790198 /nfs/dbraw/zinc/79/01/98/573790198.db2.gz YILHQZYETCNJJB-LLVKDONJSA-N 0 0 196.240 3.898 10 0 AHAERN Cc1cccc([C@H]2CCC(F)(F)C2)c1 ZINC000258942641 573788139 /nfs/dbraw/zinc/78/81/39/573788139.db2.gz YILHQZYETCNJJB-NSHDSACASA-N 0 0 196.240 3.898 10 0 AHAERN CCc1ccc(C(F)(F)CC)cc1 ZINC000258943228 573788355 /nfs/dbraw/zinc/78/83/55/573788355.db2.gz CSRIPWWQFQEBHG-UHFFFAOYSA-N 0 0 184.229 3.751 10 0 AHAERN CC(F)(F)c1ccc(Cl)s1 ZINC000258965962 573834430 /nfs/dbraw/zinc/83/44/30/573834430.db2.gz HMJCIPGQXSAVLP-UHFFFAOYSA-N 0 0 182.622 3.513 10 0 AHAERN Cc1ccccc1C(F)(F)C(C)C ZINC000258968346 573840750 /nfs/dbraw/zinc/84/07/50/573840750.db2.gz HSWMASRIAQSNSK-UHFFFAOYSA-N 0 0 184.229 3.743 10 0 AHAERN Cc1ccc(C(F)(F)C2CC2)cc1C ZINC000258975763 573864296 /nfs/dbraw/zinc/86/42/96/573864296.db2.gz ITIMWGQNMOOSRK-UHFFFAOYSA-N 0 0 196.240 3.805 10 0 AHAERN CC(C)C(F)(F)c1cccc(F)c1 ZINC000258976322 573874461 /nfs/dbraw/zinc/87/44/61/573874461.db2.gz IXQMGAODVBLKCQ-UHFFFAOYSA-N 0 0 188.192 3.574 10 0 AHAERN CCC(F)(F)c1coc2ccccc21 ZINC000258982429 573879851 /nfs/dbraw/zinc/87/98/51/573879851.db2.gz JYFBAOSWGPQRJT-UHFFFAOYSA-N 0 0 196.196 3.935 10 0 AHAERN CCN(C)c1ccc2cc(C)ccc2c1 ZINC000259002930 573917323 /nfs/dbraw/zinc/91/73/23/573917323.db2.gz FIGHVUWANHSDMP-UHFFFAOYSA-N 0 0 199.297 3.604 10 0 AHAERN CCC(F)(F)c1ccc2c(c1)CCC2 ZINC000259007354 573918518 /nfs/dbraw/zinc/91/85/18/573918518.db2.gz NQNYSBHAYWQCEE-UHFFFAOYSA-N 0 0 196.240 3.677 10 0 AHAERN CCC(F)(F)c1sccc1C ZINC000259013943 573931553 /nfs/dbraw/zinc/93/15/53/573931553.db2.gz OPUYFJBUMLQQJS-UHFFFAOYSA-N 0 0 176.231 3.558 10 0 AHAERN CCNc1ccc2cc(C)ccc2c1 ZINC000259029543 573965128 /nfs/dbraw/zinc/96/51/28/573965128.db2.gz HYQVBIPPJDJMOU-UHFFFAOYSA-N 0 0 185.270 3.580 10 0 AHAERN Cc1ccc(C(F)(F)C2CC2)c(C)c1 ZINC000259036058 573117111 /nfs/dbraw/zinc/11/71/11/573117111.db2.gz SBZXGVCETPTMSI-UHFFFAOYSA-N 0 0 196.240 3.805 10 0 AHAERN CCC(F)(F)c1ccc(Cl)s1 ZINC000259042364 573238444 /nfs/dbraw/zinc/23/84/44/573238444.db2.gz TXVLKTDRWQYPFR-UHFFFAOYSA-N 0 0 196.649 3.903 10 0 AHAERN Cc1ccsc1C(F)(F)C(C)C ZINC000259043615 573244693 /nfs/dbraw/zinc/24/46/93/573244693.db2.gz UBGIWUAUIGYMLJ-UHFFFAOYSA-N 0 0 190.258 3.804 10 0 AHAERN FC(F)(C1CC1)C1CCCCC1 ZINC000259045822 573241087 /nfs/dbraw/zinc/24/10/87/573241087.db2.gz UKWSWGXEUREKCN-UHFFFAOYSA-N 0 0 174.234 3.612 10 0 AHAERN CCc1ccc(C(F)(F)C2CC2)cc1 ZINC000259050160 573246728 /nfs/dbraw/zinc/24/67/28/573246728.db2.gz VCRYLXZQFWOQCD-UHFFFAOYSA-N 0 0 196.240 3.751 10 0 AHAERN Cc1ccsc1C(F)(F)C1CC1 ZINC000259060427 573266970 /nfs/dbraw/zinc/26/69/70/573266970.db2.gz WQLVDJOQCLFAGO-UHFFFAOYSA-N 0 0 188.242 3.558 10 0 AHAERN Cc1[nH]c2ccccc2c1C(C)(F)F ZINC000259064058 573274091 /nfs/dbraw/zinc/27/40/91/573274091.db2.gz XDWDAMVGNBVHFR-UHFFFAOYSA-N 0 0 195.212 3.588 10 0 AHAERN CCC(F)(F)c1c[nH]c2ccccc21 ZINC000259066606 573287419 /nfs/dbraw/zinc/28/74/19/573287419.db2.gz XMNDCSLUCQVGNP-UHFFFAOYSA-N 0 0 195.212 3.670 10 0 AHAERN CCC(F)(F)c1ccc(C)c(C)c1 ZINC000259071708 573296759 /nfs/dbraw/zinc/29/67/59/573296759.db2.gz YEAHAJLJRXYGSL-UHFFFAOYSA-N 0 0 184.229 3.805 10 0 AHAERN CC(F)(F)c1ccc2c(c1)CCCC2 ZINC000259082530 573310584 /nfs/dbraw/zinc/31/05/84/573310584.db2.gz ZUZFXBFLTJCQBI-UHFFFAOYSA-N 0 0 196.240 3.677 10 0 AHAERN CNc1cccc(C2CCCCC2)c1 ZINC000259121872 573555386 /nfs/dbraw/zinc/55/53/86/573555386.db2.gz GLCPSYYOOQLZRR-UHFFFAOYSA-N 0 0 189.302 3.776 10 0 AHAERN CCN(C)c1cc(C(C)C)ccc1C ZINC000259151323 573648630 /nfs/dbraw/zinc/64/86/30/573648630.db2.gz SIROADCTAFTLPO-UHFFFAOYSA-N 0 0 191.318 3.575 10 0 AHAERN CC(C)(C)c1ccc(SO)cc1 ZINC000259260670 573991495 /nfs/dbraw/zinc/99/14/95/573991495.db2.gz PWTIBNREXFVHHM-UHFFFAOYSA-N 0 0 182.288 3.549 10 0 AHAERN OSc1ccc(Cl)c(Cl)c1 ZINC000259325676 573090694 /nfs/dbraw/zinc/09/06/94/573090694.db2.gz WNSIORBVNAUUSK-UHFFFAOYSA-N 0 0 195.070 3.559 10 0 AHAERN Oc1cc(F)ccc1C1CCCCC1 ZINC000259356880 573183886 /nfs/dbraw/zinc/18/38/86/573183886.db2.gz FQGZSBLVGYOTMM-UHFFFAOYSA-N 0 0 194.249 3.579 10 0 AHAERN CCCC(F)(F)c1ccc(NC)cc1 ZINC000259377783 573214050 /nfs/dbraw/zinc/21/40/50/573214050.db2.gz GPUIEIIRDOUKRF-UHFFFAOYSA-N 0 0 199.244 3.620 10 0 AHAERN CCc1c(C)c(Cl)c(C)cc1OC ZINC000259408965 573302828 /nfs/dbraw/zinc/30/28/28/573302828.db2.gz OLBKGGABXQWMPS-UHFFFAOYSA-N 0 0 198.693 3.528 10 0 AHAERN CCCC(F)(F)c1cccc(C)c1 ZINC000259472898 573489019 /nfs/dbraw/zinc/48/90/19/573489019.db2.gz MCIYZGNHUVYRSS-UHFFFAOYSA-N 0 0 184.229 3.887 10 0 AHAERN C[C@H](c1cccc(O)c1)C(C)(C)C ZINC000259521146 573592815 /nfs/dbraw/zinc/59/28/15/573592815.db2.gz AHONVSWXRKTJKM-SECBINFHSA-N 0 0 178.275 3.542 10 0 AHAERN C[C@@H](c1cccc(O)c1)C(C)(C)C ZINC000259521164 573591836 /nfs/dbraw/zinc/59/18/36/573591836.db2.gz AHONVSWXRKTJKM-VIFPVBQESA-N 0 0 178.275 3.542 10 0 AHAERN CC(C)(C)[C@H](F)c1ccccc1C=O ZINC000259525739 573601707 /nfs/dbraw/zinc/60/17/07/573601707.db2.gz ATKZRVQZGBWSEH-LLVKDONJSA-N 0 0 194.249 3.556 10 0 AHAERN CC(C)(C)[C@@H](F)c1ccccc1C=O ZINC000259525746 573605242 /nfs/dbraw/zinc/60/52/42/573605242.db2.gz ATKZRVQZGBWSEH-NSHDSACASA-N 0 0 194.249 3.556 10 0 AHAERN CCCC(F)(F)c1cccc(NC)c1 ZINC000259533259 573623430 /nfs/dbraw/zinc/62/34/30/573623430.db2.gz QKGSMVMXFQPRQC-UHFFFAOYSA-N 0 0 199.244 3.620 10 0 AHAERN C[C@H](c1ccccc1O)C1CCCC1 ZINC000259535377 573629845 /nfs/dbraw/zinc/62/98/45/573629845.db2.gz BJBMTVYNHLNDCV-JTQLQIEISA-N 0 0 190.286 3.686 10 0 AHAERN C[C@@H](c1ccccc1O)C1CCCC1 ZINC000259535381 573631432 /nfs/dbraw/zinc/63/14/32/573631432.db2.gz BJBMTVYNHLNDCV-SNVBAGLBSA-N 0 0 190.286 3.686 10 0 AHAERN C[C@H](c1cccc(O)c1)C1CCCC1 ZINC000259606646 573322014 /nfs/dbraw/zinc/32/20/14/573322014.db2.gz DIPLCZXRWBVLFM-JTQLQIEISA-N 0 0 190.286 3.686 10 0 AHAERN C[C@@H](c1cccc(O)c1)C1CCCC1 ZINC000259606649 573323711 /nfs/dbraw/zinc/32/37/11/573323711.db2.gz DIPLCZXRWBVLFM-SNVBAGLBSA-N 0 0 190.286 3.686 10 0 AHAERN C[C@H](c1ccc(O)cc1)C1CCCC1 ZINC000259623204 573844273 /nfs/dbraw/zinc/84/42/73/573844273.db2.gz FOFTWUSQRZDCAM-JTQLQIEISA-N 0 0 190.286 3.686 10 0 AHAERN C[C@@H](c1ccc(O)cc1)C1CCCC1 ZINC000259623208 573844823 /nfs/dbraw/zinc/84/48/23/573844823.db2.gz FOFTWUSQRZDCAM-SNVBAGLBSA-N 0 0 190.286 3.686 10 0 AHAERN CC/C=C/CSC/C=C/CC ZINC000263584209 171188101 /nfs/dbraw/zinc/18/81/01/171188101.db2.gz MPCDPVOFJRZVER-KQQUZDAGSA-N 0 0 170.321 3.652 10 0 AHAERN C[C@H]1CC[C@H](C2CCC(=O)CC2)CC1 ZINC000263584382 582512358 /nfs/dbraw/zinc/51/23/58/582512358.db2.gz RHUNWKYRWMYYMP-XYPYZODXSA-N 0 0 194.318 3.572 10 0 AHAERN C1C[C@@H]2CCC[C@H]3CCC[C@H]1[C@@H]23 ZINC000299754673 166106815 /nfs/dbraw/zinc/10/68/15/166106815.db2.gz FZDZWLDRELLWNN-HUVAQWKNSA-N 0 0 164.292 3.613 10 0 AHAERN Cc1ccc2cc(Cl)c(C)cc2n1 ZINC000299889474 168854007 /nfs/dbraw/zinc/85/40/07/168854007.db2.gz JWUJJIQQIUKZEH-UHFFFAOYSA-N 0 0 191.661 3.505 10 0 AHAERN CCCC[C@H](O)[C@@H]1CC(C)=C[C@H](C)C1 ZINC000300012567 571878990 /nfs/dbraw/zinc/87/89/90/571878990.db2.gz QRTJLDXKBIJBGK-DRZSPHRISA-N 0 0 196.334 3.530 10 0 AHAERN CCCC[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1 ZINC000300012568 571879420 /nfs/dbraw/zinc/87/94/20/571879420.db2.gz QRTJLDXKBIJBGK-RTXFEEFZSA-N 0 0 196.334 3.530 10 0 AHAERN CCCC[C@H](O)[C@H]1CC(C)=C[C@H](C)C1 ZINC000300012569 571880005 /nfs/dbraw/zinc/88/00/05/571880005.db2.gz QRTJLDXKBIJBGK-UHTWSYAYSA-N 0 0 196.334 3.530 10 0 AHAERN CCCC[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000300012570 571879739 /nfs/dbraw/zinc/87/97/39/571879739.db2.gz QRTJLDXKBIJBGK-WXHSDQCUSA-N 0 0 196.334 3.530 10 0 AHAERN CC1(C)CCCC[C@@]1(O)CCC1CC1 ZINC000300054695 344968553 /nfs/dbraw/zinc/96/85/53/344968553.db2.gz CYPNFCWUHFWGLO-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CCCC[C@H](O)C1=CCCCCCC1 ZINC000300063274 571896289 /nfs/dbraw/zinc/89/62/89/571896289.db2.gz SOZHIBHDWNVPMH-ZDUSSCGKSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C)[C@H]1CNc2ccc(C)cc21 ZINC000300223404 344972010 /nfs/dbraw/zinc/97/20/10/344972010.db2.gz BQACKNFLYJOTQL-CMPLNLGQSA-N 0 0 189.302 3.550 10 0 AHAERN CCCCCC[C@H](O)[C@H]1CCC[C@H]1C ZINC000300228870 572009715 /nfs/dbraw/zinc/00/97/15/572009715.db2.gz TVERYKCEJIUTIR-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@H](O)[C@@H]1CCC[C@H]1C ZINC000300228871 572011531 /nfs/dbraw/zinc/01/15/31/572011531.db2.gz TVERYKCEJIUTIR-UPJWGTAASA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)CCC[C@H](O)[C@H]1CCC[C@H]1C ZINC000300231013 572012643 /nfs/dbraw/zinc/01/26/43/572012643.db2.gz AOAFAUZDZHFOJK-AGIUHOORSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CCC[C@H](O)[C@@H]1CCC[C@H]1C ZINC000300231015 572012934 /nfs/dbraw/zinc/01/29/34/572012934.db2.gz AOAFAUZDZHFOJK-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)C[C@H](O)[C@@H]1CCC[C@H]1C ZINC000300234444 572015257 /nfs/dbraw/zinc/01/52/57/572015257.db2.gz OBCNIKRNZTXNIY-RTXFEEFZSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)C[C@H](O)[C@H]1CCC[C@H]1C ZINC000300234445 572016554 /nfs/dbraw/zinc/01/65/54/572016554.db2.gz OBCNIKRNZTXNIY-WXHSDQCUSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)C[C@H](O)[C@H]1CCC[C@@H]1C ZINC000300234642 572014966 /nfs/dbraw/zinc/01/49/66/572014966.db2.gz OTCFPNNGNRGWES-CYDGBPFRSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)C[C@H](O)[C@@H]1CCC[C@H]1C ZINC000300234643 572016681 /nfs/dbraw/zinc/01/66/81/572016681.db2.gz OTCFPNNGNRGWES-LOWDOPEQSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)C[C@H](O)[C@H]1CCC[C@H]1C ZINC000300234644 572016148 /nfs/dbraw/zinc/01/61/48/572016148.db2.gz OTCFPNNGNRGWES-RNJOBUHISA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1CCC[C@@H]1[C@H](O)CCC(C)(C)C ZINC000300235041 572016082 /nfs/dbraw/zinc/01/60/82/572016082.db2.gz PUBUUTWPKSXQRI-GRYCIOLGSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1CCC[C@H]1[C@H](O)CCC(C)(C)C ZINC000300235042 572016829 /nfs/dbraw/zinc/01/68/29/572016829.db2.gz PUBUUTWPKSXQRI-IJLUTSLNSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C[C@@H](O)[C@H]1CCCC1(C)C ZINC000300235922 572014609 /nfs/dbraw/zinc/01/46/09/572014609.db2.gz SDPMWNLRNHHHJJ-QJPTWQEYSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C[C@H](O)[C@H]1CCCC1(C)C ZINC000300235924 572016441 /nfs/dbraw/zinc/01/64/41/572016441.db2.gz SDPMWNLRNHHHJJ-TUAOUCFPSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](O)[C@H]1CCC[C@H](C(C)C)C1 ZINC000300236557 572016963 /nfs/dbraw/zinc/01/69/63/572016963.db2.gz OTECXRZODOKULW-AVGNSLFASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](O)[C@@H]1CCC[C@H](C(C)C)C1 ZINC000300236558 572014900 /nfs/dbraw/zinc/01/49/00/572014900.db2.gz OTECXRZODOKULW-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)CC(=O)[C@@H]1CCC[C@H]1C ZINC000300237809 572020955 /nfs/dbraw/zinc/02/09/55/572020955.db2.gz ZXNZFAHKUYENLJ-QJPTWQEYSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@H](C)CC(=O)[C@H]1CCC[C@H]1C ZINC000300237810 572022471 /nfs/dbraw/zinc/02/24/71/572022471.db2.gz ZXNZFAHKUYENLJ-TUAOUCFPSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](O)[C@H]1CCC[C@H](CC(C)C)C1 ZINC000300243763 572025766 /nfs/dbraw/zinc/02/57/66/572025766.db2.gz UTEBDBPZQSUXKF-AGIUHOORSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](O)[C@@H]1CCC[C@H](CC(C)C)C1 ZINC000300243764 572025332 /nfs/dbraw/zinc/02/53/32/572025332.db2.gz UTEBDBPZQSUXKF-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)C(=O)[C@@H]1CC[C@H](CC)C1 ZINC000300342633 572124043 /nfs/dbraw/zinc/12/40/43/572124043.db2.gz DEZCKFXPZNYYNB-SDDRHHMPSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@H](C)C(=O)[C@H]1CC[C@H](CC)C1 ZINC000300342634 572123477 /nfs/dbraw/zinc/12/34/77/572123477.db2.gz DEZCKFXPZNYYNB-SRVKXCTJSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@H](C)[C@H]1C[C@H](CC)CCC1=O ZINC000300342884 572122182 /nfs/dbraw/zinc/12/21/82/572122182.db2.gz HOCYFDLVZWFCHB-QJPTWQEYSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@H](C)[C@@H]1C[C@H](CC)CCC1=O ZINC000300342885 572122851 /nfs/dbraw/zinc/12/28/51/572122851.db2.gz HOCYFDLVZWFCHB-TUAOUCFPSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H](C)[C@H](O)CC1=CCCCC1 ZINC000300346708 572126399 /nfs/dbraw/zinc/12/63/99/572126399.db2.gz JPQMRSPUQTWLHY-DGCLKSJQSA-N 0 0 196.334 3.674 10 0 AHAERN CCC[C@@H](C)[C@@]1(O)CCCCC1(C)C ZINC000300346887 344975011 /nfs/dbraw/zinc/97/50/11/344975011.db2.gz KFDBWBXHQNBDGA-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)[C@H](O)C1(CC)CCCC1 ZINC000300347325 572127603 /nfs/dbraw/zinc/12/76/03/572127603.db2.gz LGPVUSKBCMFUBY-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)[C@@](C)(O)C1CCCCC1 ZINC000300347650 572127147 /nfs/dbraw/zinc/12/71/47/572127147.db2.gz LYDSYULWTCPRAG-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)[C@]1(O)CCC[C@H](CC)C1 ZINC000300348637 572127916 /nfs/dbraw/zinc/12/79/16/572127916.db2.gz OTAYBSMBVRDORD-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)[C@@]1(O)CCC[C@H](CC)C1 ZINC000300348638 572127803 /nfs/dbraw/zinc/12/78/03/572127803.db2.gz OTAYBSMBVRDORD-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)[C@@H](O)[C@H]1CCCC1(C)C ZINC000300349130 572127611 /nfs/dbraw/zinc/12/76/11/572127611.db2.gz QFPLUBATAQOBGK-QJPTWQEYSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)[C@H](O)[C@H]1CCCC1(C)C ZINC000300349131 572129021 /nfs/dbraw/zinc/12/90/21/572129021.db2.gz QFPLUBATAQOBGK-TUAOUCFPSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)[C@@H]1C[C@H](CC)CC[C@H]1O ZINC000300349263 572128436 /nfs/dbraw/zinc/12/84/36/572128436.db2.gz QJMZTTFMIHLKRI-QNWHQSFQSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)[C@@H]1C[C@H](CC)CC[C@@H]1O ZINC000300349266 572128114 /nfs/dbraw/zinc/12/81/14/572128114.db2.gz QJMZTTFMIHLKRI-RNJOBUHISA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)[C@@H]1C[C@@H](CC)CC[C@H]1O ZINC000300349269 572129007 /nfs/dbraw/zinc/12/90/07/572129007.db2.gz QJMZTTFMIHLKRI-ZDEQEGDKSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)[C@H](O)[C@H]1CC[C@H](CC)C1 ZINC000300350195 572132753 /nfs/dbraw/zinc/13/27/53/572132753.db2.gz UGNLEPKMOQSIMF-CYDGBPFRSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)[C@H](O)[C@H]1CC[C@@H](CC)C1 ZINC000300350196 572135034 /nfs/dbraw/zinc/13/50/34/572135034.db2.gz UGNLEPKMOQSIMF-RNJOBUHISA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](C)[C@H](O)[C@@H]1CC[C@H](CC)C1 ZINC000300350197 572133275 /nfs/dbraw/zinc/13/32/75/572133275.db2.gz UGNLEPKMOQSIMF-RVMXOQNASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H](C)[C@H](O)CCC1CCCC1 ZINC000300350356 572135233 /nfs/dbraw/zinc/13/52/33/572135233.db2.gz VEVHPXBFMVJPMT-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)[C@@]1(O)CCCC[C@H]1CC ZINC000300350434 572133007 /nfs/dbraw/zinc/13/30/07/572133007.db2.gz VQOVERDXARVIFU-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)[C@]1(O)CCCC[C@H]1CC ZINC000300350435 572133819 /nfs/dbraw/zinc/13/38/19/572133819.db2.gz VQOVERDXARVIFU-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)[C@H](O)C1(C)CCCCC1 ZINC000300350927 572137853 /nfs/dbraw/zinc/13/78/53/572137853.db2.gz YZMNDVAPEGAPND-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@](O)(CC)[C@H]1CCC[C@H](C)C1 ZINC000300352916 572129522 /nfs/dbraw/zinc/12/95/22/572129522.db2.gz RCHHQUGEQVXIOZ-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@](O)(CC)[C@@H]1CCC[C@H](C)C1 ZINC000300352917 572130484 /nfs/dbraw/zinc/13/04/84/572130484.db2.gz RCHHQUGEQVXIOZ-YNEHKIRRSA-N 0 0 198.350 3.754 10 0 AHAERN OCC1(CCC2CCCCC2)CCC1 ZINC000300718987 571849729 /nfs/dbraw/zinc/84/97/29/571849729.db2.gz APSPDSGVBDMRLA-UHFFFAOYSA-N 0 0 196.334 3.510 10 0 AHAERN c1cc(NCCC2CCCC2)cs1 ZINC000300719240 344983367 /nfs/dbraw/zinc/98/33/67/344983367.db2.gz AVENKTJRTUEHJI-UHFFFAOYSA-N 0 0 195.331 3.740 10 0 AHAERN CCC[C@@](C)(O)CCC1CCCC1 ZINC000300720757 571856935 /nfs/dbraw/zinc/85/69/35/571856935.db2.gz BLTCFTOEQKNBIR-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@](C)(O)CCC1CCCC1 ZINC000300720758 571855692 /nfs/dbraw/zinc/85/56/92/571855692.db2.gz BLTCFTOEQKNBIR-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CC1(C(=O)CCC2CCCCC2)CC1 ZINC000300721030 571855620 /nfs/dbraw/zinc/85/56/20/571855620.db2.gz BPLKFTIFFYVFHM-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CC1CC(O)(CCC2CCCCC2)C1 ZINC000300722620 344983814 /nfs/dbraw/zinc/98/38/14/344983814.db2.gz CERNSUKMLQUPTP-UHFFFAOYSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)(C)[C@@](C)(O)CCC1CCCC1 ZINC000300722625 571854758 /nfs/dbraw/zinc/85/47/58/571854758.db2.gz CEVKKKFGSTVACU-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)[C@@](C)(CO)CCC1CCCC1 ZINC000300725092 571858626 /nfs/dbraw/zinc/85/86/26/571858626.db2.gz CWJDLOJRJYIKCP-CYBMUJFWSA-N 0 0 198.350 3.611 10 0 AHAERN C[C@@](O)(CCC1CCCCC1)C1CC1 ZINC000300728377 571860384 /nfs/dbraw/zinc/86/03/84/571860384.db2.gz DUPRZUNUPSUMCF-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@](O)(CCC1CCCCC1)C1CC1 ZINC000300728378 571860679 /nfs/dbraw/zinc/86/06/79/571860679.db2.gz DUPRZUNUPSUMCF-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@@](O)(CCC1CCCC1)C(C)C ZINC000300728399 571861288 /nfs/dbraw/zinc/86/12/88/571861288.db2.gz DVTYOCLXRGWBRZ-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@](O)(CCC1CCCC1)C(C)C ZINC000300728400 571862283 /nfs/dbraw/zinc/86/22/83/571862283.db2.gz DVTYOCLXRGWBRZ-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C(=O)CCCCC1CCCC1 ZINC000300728420 571862717 /nfs/dbraw/zinc/86/27/17/571862717.db2.gz DWTYUNILLWNJKO-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC(=O)C[C@@H](C)CCC1CCCC1 ZINC000300728444 571862396 /nfs/dbraw/zinc/86/23/96/571862396.db2.gz DXYBXVBZYHNWPC-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CC(=O)C[C@H](C)CCC1CCCC1 ZINC000300728445 571860439 /nfs/dbraw/zinc/86/04/39/571860439.db2.gz DXYBXVBZYHNWPC-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CC[C@H](CCC1CCCC1)C(C)=O ZINC000300734077 571869044 /nfs/dbraw/zinc/86/90/44/571869044.db2.gz GQPCFGJKUAEDEQ-GFCCVEGCSA-N 0 0 182.307 3.572 10 0 AHAERN CC(=O)C1(CCC2CCCCC2)CC1 ZINC000300734451 571863652 /nfs/dbraw/zinc/86/36/52/571863652.db2.gz GSSKMKNPEWCBKM-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CCC(=O)[C@@H](C)CCC1CCCC1 ZINC000300735346 571864846 /nfs/dbraw/zinc/86/48/46/571864846.db2.gz GYQZFLKWRPKRIE-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)[C@H](C)CCC1CCCC1 ZINC000300735349 571864990 /nfs/dbraw/zinc/86/49/90/571864990.db2.gz GYQZFLKWRPKRIE-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(O)(CC)C[C@H](C)CC(C)C ZINC000300736335 571868618 /nfs/dbraw/zinc/86/86/18/571868618.db2.gz ADDHKHMQBVWZAC-LLVKDONJSA-N 0 0 186.339 3.610 10 0 AHAERN CCC(O)(CC)C[C@@H](C)CC(C)C ZINC000300736338 571867346 /nfs/dbraw/zinc/86/73/46/571867346.db2.gz ADDHKHMQBVWZAC-NSHDSACASA-N 0 0 186.339 3.610 10 0 AHAERN C[C@H](C(=O)CCC1CCCC1)C1CC1 ZINC000300736745 571868444 /nfs/dbraw/zinc/86/84/44/571868444.db2.gz HIBKTFCZJWMICL-JTQLQIEISA-N 0 0 194.318 3.572 10 0 AHAERN O[C@H](CCCCC1CCCC1)C1CC1 ZINC000300738059 571867398 /nfs/dbraw/zinc/86/73/98/571867398.db2.gz HQDVFLGCAZHEES-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)CC(=O)CCCC1CCCC1 ZINC000300740812 571872155 /nfs/dbraw/zinc/87/21/55/571872155.db2.gz IKDFBAGUQCVOGY-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN C[C@@H](O)C1(CCC2CCCCC2)CC1 ZINC000300741397 571874578 /nfs/dbraw/zinc/87/45/78/571874578.db2.gz INBVNBHWRIMUCV-LLVKDONJSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@H](O)C1(CCC2CCCCC2)CC1 ZINC000300741399 571874762 /nfs/dbraw/zinc/87/47/62/571874762.db2.gz INBVNBHWRIMUCV-NSHDSACASA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)(C)[C@@H](CO)CCC1CCCC1 ZINC000300742900 571876939 /nfs/dbraw/zinc/87/69/39/571876939.db2.gz IXMXLXOHEKPZNQ-GFCCVEGCSA-N 0 0 198.350 3.611 10 0 AHAERN CC(C)(C)[C@H](CO)CCC1CCCC1 ZINC000300742903 571876288 /nfs/dbraw/zinc/87/62/88/571876288.db2.gz IXMXLXOHEKPZNQ-LBPRGKRZSA-N 0 0 198.350 3.611 10 0 AHAERN CC(C)C[C@](C)(O)CCC1CCCC1 ZINC000300746907 571877185 /nfs/dbraw/zinc/87/71/85/571877185.db2.gz JRNWMVJASFJPEL-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C[C@@](C)(O)CCC1CCCC1 ZINC000300746908 571875897 /nfs/dbraw/zinc/87/58/97/571875897.db2.gz JRNWMVJASFJPEL-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](O)CCCCC1CCCC1 ZINC000300747420 571875806 /nfs/dbraw/zinc/87/58/06/571875806.db2.gz JUYDOFSJIVKXQZ-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CC[C@H](O)CCCCC1CCCC1 ZINC000300747422 571877160 /nfs/dbraw/zinc/87/71/60/571877160.db2.gz JUYDOFSJIVKXQZ-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCC(CC)(CO)CCC1CCCC1 ZINC000300748248 571872903 /nfs/dbraw/zinc/87/29/03/571872903.db2.gz KEAIBHJSLRHQST-UHFFFAOYSA-N 0 0 198.350 3.756 10 0 AHAERN C[C@H]1C[C@@H]1C(=O)CCC1CCCCC1 ZINC000300750351 571875689 /nfs/dbraw/zinc/87/56/89/571875689.db2.gz KXPJTZIGZKPSNE-JQWIXIFHSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@@H]1C[C@@H]1C(=O)CCC1CCCCC1 ZINC000300750355 571875742 /nfs/dbraw/zinc/87/57/42/571875742.db2.gz KXPJTZIGZKPSNE-PWSUYJOCSA-N 0 0 194.318 3.572 10 0 AHAERN CC1(C)C[C@@H]1C(=O)CCC1CCCC1 ZINC000300752048 571878882 /nfs/dbraw/zinc/87/88/82/571878882.db2.gz LLHOKLRBLCSIMM-LLVKDONJSA-N 0 0 194.318 3.572 10 0 AHAERN CC1(C)C[C@H]1C(=O)CCC1CCCC1 ZINC000300752049 571878666 /nfs/dbraw/zinc/87/86/66/571878666.db2.gz LLHOKLRBLCSIMM-NSHDSACASA-N 0 0 194.318 3.572 10 0 AHAERN CC(=O)[C@@H](C)CCC1CCCCC1 ZINC000300755022 571882336 /nfs/dbraw/zinc/88/23/36/571882336.db2.gz MFOKKJYXYSRUGC-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CC(=O)[C@H](C)CCC1CCCCC1 ZINC000300755023 571880902 /nfs/dbraw/zinc/88/09/02/571880902.db2.gz MFOKKJYXYSRUGC-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)C[C@H](O)CCCC1CCCC1 ZINC000300756224 571881159 /nfs/dbraw/zinc/88/11/59/571881159.db2.gz MPZVBRJYCTXFDS-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](O)CCCCC1CCCC1 ZINC000300759736 571889552 /nfs/dbraw/zinc/88/95/52/571889552.db2.gz NLHYMEBPAULGJQ-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CCC[C@H](O)CCCCC1CCCC1 ZINC000300759737 571888402 /nfs/dbraw/zinc/88/84/02/571888402.db2.gz NLHYMEBPAULGJQ-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CC(C)[C@@H](CCC1CCCC1)[C@@H](C)O ZINC000300764870 571901276 /nfs/dbraw/zinc/90/12/76/571901276.db2.gz OLZJGUZUHPYSRZ-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@H](CCC1CCCC1)[C@H](C)O ZINC000300764874 571900093 /nfs/dbraw/zinc/90/00/93/571900093.db2.gz OLZJGUZUHPYSRZ-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@H](CCC1CCCC1)[C@@H](C)O ZINC000300764879 571900933 /nfs/dbraw/zinc/90/09/33/571900933.db2.gz OLZJGUZUHPYSRZ-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)C(=O)CCC1CCCC1 ZINC000300765077 571900646 /nfs/dbraw/zinc/90/06/46/571900646.db2.gz ONXDODUUBHAIHJ-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)(C)CCC[C@@](C)(O)C1(C)CC1 ZINC000300774481 571918186 /nfs/dbraw/zinc/91/81/86/571918186.db2.gz AGQUTLMSFDQEJP-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@](C)(O)C1(C)CC1 ZINC000300774484 571918937 /nfs/dbraw/zinc/91/89/37/571918937.db2.gz AGQUTLMSFDQEJP-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@](C)(CO)CCC1CCCC1 ZINC000300779333 571925637 /nfs/dbraw/zinc/92/56/37/571925637.db2.gz RGSNUXHQSACKOS-CYBMUJFWSA-N 0 0 198.350 3.756 10 0 AHAERN CCC[C@](C)(CO)CCC1CCCC1 ZINC000300779334 571925520 /nfs/dbraw/zinc/92/55/20/571925520.db2.gz RGSNUXHQSACKOS-ZDUSSCGKSA-N 0 0 198.350 3.756 10 0 AHAERN C[C@@](O)(CCC1CCCC1)C1(C)CC1 ZINC000300780038 571926794 /nfs/dbraw/zinc/92/67/94/571926794.db2.gz RJEATSMDINLCNL-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@](O)(CCC1CCCC1)C1(C)CC1 ZINC000300780042 571926063 /nfs/dbraw/zinc/92/60/63/571926063.db2.gz RJEATSMDINLCNL-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CCC(C)(C)[C@H](O)CCC1CCCC1 ZINC000300782497 571924791 /nfs/dbraw/zinc/92/47/91/571924791.db2.gz RUIUJLUGZATESM-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(C)(C)[C@@H](O)CCC1CCCC1 ZINC000300782499 571925891 /nfs/dbraw/zinc/92/58/91/571925891.db2.gz RUIUJLUGZATESM-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCCNc1ccsc1 ZINC000300784138 571926632 /nfs/dbraw/zinc/92/66/32/571926632.db2.gz BQWGXTAKJVTDIR-UHFFFAOYSA-N 0 0 197.347 3.986 10 0 AHAERN CC(C)C[C@H](C)[C@H](O)C1CCCCC1 ZINC000300790478 571924528 /nfs/dbraw/zinc/92/45/28/571924528.db2.gz BWSHXOPUBHZRRA-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)[C@@H](O)C1CCCCC1 ZINC000300790482 571926497 /nfs/dbraw/zinc/92/64/97/571926497.db2.gz BWSHXOPUBHZRRA-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)[C@@H](O)C1CCCCC1 ZINC000300790486 571925153 /nfs/dbraw/zinc/92/51/53/571925153.db2.gz BWSHXOPUBHZRRA-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)(C)CC[C@@H](O)C1=CCCCC1 ZINC000300791391 571928543 /nfs/dbraw/zinc/92/85/43/571928543.db2.gz CLTFOLIOAOLYGY-GFCCVEGCSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)(C)CC[C@H](O)C1=CCCCC1 ZINC000300791392 571930126 /nfs/dbraw/zinc/93/01/26/571930126.db2.gz CLTFOLIOAOLYGY-LBPRGKRZSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)[C@@H](C)C(=O)CCC1CCCC1 ZINC000300791822 571927547 /nfs/dbraw/zinc/92/75/47/571927547.db2.gz UBDIYIUQVWDDHR-LLVKDONJSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)[C@H](C)C(=O)CCC1CCCC1 ZINC000300791824 571930163 /nfs/dbraw/zinc/93/01/63/571930163.db2.gz UBDIYIUQVWDDHR-NSHDSACASA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)(C)CCC[C@@H](O)CC1CCC1 ZINC000300792287 571929904 /nfs/dbraw/zinc/92/99/04/571929904.db2.gz COKIUWCEWFYLFQ-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@H](O)CC1CCC1 ZINC000300792288 571927549 /nfs/dbraw/zinc/92/75/49/571927549.db2.gz COKIUWCEWFYLFQ-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CC(=O)[C@H](CCC1CCCC1)C(C)C ZINC000300792349 571929024 /nfs/dbraw/zinc/92/90/24/571929024.db2.gz UBYMMUCMEKXBNL-CYBMUJFWSA-N 0 0 196.334 3.818 10 0 AHAERN CC(=O)[C@@H](CCC1CCCC1)C(C)C ZINC000300792352 571929222 /nfs/dbraw/zinc/92/92/22/571929222.db2.gz UBYMMUCMEKXBNL-ZDUSSCGKSA-N 0 0 196.334 3.818 10 0 AHAERN CC1([C@H](O)CCC2CCCCC2)CC1 ZINC000300793155 571929888 /nfs/dbraw/zinc/92/98/88/571929888.db2.gz UGAAKWYTJMVESH-GFCCVEGCSA-N 0 0 196.334 3.508 10 0 AHAERN CCCC(=O)CC[C@@H](C)CC(C)C ZINC000300793442 571929592 /nfs/dbraw/zinc/92/95/92/571929592.db2.gz CJNKIXBLAFCZFH-LLVKDONJSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC(=O)CC[C@H](C)CC(C)C ZINC000300793443 571929983 /nfs/dbraw/zinc/92/99/83/571929983.db2.gz CJNKIXBLAFCZFH-NSHDSACASA-N 0 0 184.323 3.818 10 0 AHAERN CC(=O)C[C@H](C)CCC1CCCCC1 ZINC000300794014 571928249 /nfs/dbraw/zinc/92/82/49/571928249.db2.gz UKZTVYQUKKVJRF-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CC(=O)C[C@@H](C)CCC1CCCCC1 ZINC000300794017 571930306 /nfs/dbraw/zinc/93/03/06/571930306.db2.gz UKZTVYQUKKVJRF-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN CC(=O)CC(C)(C)CCC1CCCC1 ZINC000300794843 571929447 /nfs/dbraw/zinc/92/94/47/571929447.db2.gz UNHPFGBOILTXLB-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@H](C)[C@@](C)(O)CCC1CCCC1 ZINC000300796481 571929975 /nfs/dbraw/zinc/92/99/75/571929975.db2.gz USWAYMOIZUXNIW-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)[C@@](C)(O)CCC1CCCC1 ZINC000300796491 571928870 /nfs/dbraw/zinc/92/88/70/571928870.db2.gz USWAYMOIZUXNIW-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@](C)(CO)CCCC(C)(C)C ZINC000300799125 571933989 /nfs/dbraw/zinc/93/39/89/571933989.db2.gz DLNUSAOJKTWYKZ-GFCCVEGCSA-N 0 0 186.339 3.611 10 0 AHAERN CC[C@](C)(CO)CCCC(C)(C)C ZINC000300799129 571932900 /nfs/dbraw/zinc/93/29/00/571932900.db2.gz DLNUSAOJKTWYKZ-LBPRGKRZSA-N 0 0 186.339 3.611 10 0 AHAERN CC(C)(C)CCC[C@@H]1CCCC1=O ZINC000300799906 571932992 /nfs/dbraw/zinc/93/29/92/571932992.db2.gz DOEXHSYUNXFLCD-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)(C)CCC[C@H]1CCCC1=O ZINC000300799914 571944083 /nfs/dbraw/zinc/94/40/83/571944083.db2.gz DOEXHSYUNXFLCD-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)[C@@](C)(O)CCC1CCCCC1 ZINC000300801930 571935260 /nfs/dbraw/zinc/93/52/60/571935260.db2.gz VNLIJHRYSSISDO-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN C[C@@](O)(CCC1CCCC1)CC1CC1 ZINC000300802205 571937024 /nfs/dbraw/zinc/93/70/24/571937024.db2.gz VQPDXRJRFGNIRY-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@](O)(CCC1CCCC1)CC1CC1 ZINC000300802206 571935926 /nfs/dbraw/zinc/93/59/26/571935926.db2.gz VQPDXRJRFGNIRY-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)(C)CCC[C@H]1CCCCC1=O ZINC000300802543 571935520 /nfs/dbraw/zinc/93/55/20/571935520.db2.gz DUSFUDRQLIMZAX-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(=O)[C@@H](C)CCC1CCCCC1 ZINC000300805094 571943547 /nfs/dbraw/zinc/94/35/47/571943547.db2.gz WDTUMDKDDJHVHY-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)(C)CCCC(=O)C1(C)CC1 ZINC000300805205 571943252 /nfs/dbraw/zinc/94/32/52/571943252.db2.gz FBHQOKSRBMFKIG-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)(C)CCCC(=O)C1CCC1 ZINC000300806932 571945709 /nfs/dbraw/zinc/94/57/09/571945709.db2.gz FIOOTAHAKFBWCX-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)(C)CC(=O)CCC1CCCC1 ZINC000300810258 571948081 /nfs/dbraw/zinc/94/80/81/571948081.db2.gz XFGIWGKSVHCODW-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@](O)(CC)CCC1CCCC1 ZINC000300819924 571963312 /nfs/dbraw/zinc/96/33/12/571963312.db2.gz YZGCHJJMRAIZEA-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CCC[C@@](O)(CC)CCC1CCCC1 ZINC000300819926 571962484 /nfs/dbraw/zinc/96/24/84/571962484.db2.gz YZGCHJJMRAIZEA-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CC[C@@](O)(CCC1CCCC1)C1CC1 ZINC000300819943 571962498 /nfs/dbraw/zinc/96/24/98/571962498.db2.gz YZROBEKKWWEZRK-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@](O)(CCC1CCCC1)C1CC1 ZINC000300819946 571962883 /nfs/dbraw/zinc/96/28/83/571962883.db2.gz YZROBEKKWWEZRK-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CCC(=O)CCCCC1CCCC1 ZINC000300820959 571961648 /nfs/dbraw/zinc/96/16/48/571961648.db2.gz ZEDDDOLJOPHILR-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN CC(C)C[C@H](C)C[C@H](O)CC1CCC1 ZINC000300822159 571962500 /nfs/dbraw/zinc/96/25/00/571962500.db2.gz BEBNUECAYALELC-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)C[C@@H](O)CC1CCC1 ZINC000300822161 571962702 /nfs/dbraw/zinc/96/27/02/571962702.db2.gz BEBNUECAYALELC-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@@H](O)CC1CCC1 ZINC000300822162 571963257 /nfs/dbraw/zinc/96/32/57/571963257.db2.gz BEBNUECAYALELC-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)C[C@H](O)CC1CCC1 ZINC000300822164 571961864 /nfs/dbraw/zinc/96/18/64/571961864.db2.gz BEBNUECAYALELC-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN C[C@H](C(=O)CCCC(C)(C)C)C1CC1 ZINC000300822389 571962759 /nfs/dbraw/zinc/96/27/59/571962759.db2.gz HGDZQSYZKXAMDA-JTQLQIEISA-N 0 0 196.334 3.818 10 0 AHAERN C[C@@H](O)CC(C)(C)CCC1CCCC1 ZINC000300824040 571965372 /nfs/dbraw/zinc/96/53/72/571965372.db2.gz ZNPYRYQFJMYKQK-LLVKDONJSA-N 0 0 198.350 3.754 10 0 AHAERN C[C@H](O)CC(C)(C)CCC1CCCC1 ZINC000300824044 571965606 /nfs/dbraw/zinc/96/56/06/571965606.db2.gz ZNPYRYQFJMYKQK-NSHDSACASA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCCC1(O)CCCCC1 ZINC000300825570 571969191 /nfs/dbraw/zinc/96/91/91/571969191.db2.gz HOVMTGQYJXHPRW-UHFFFAOYSA-N 0 0 198.350 3.898 10 0 AHAERN CC(C)(C)CCCC1=C[C@H](O)CCC1 ZINC000300829431 571973326 /nfs/dbraw/zinc/97/33/26/571973326.db2.gz ICYMVJDVTBFXTB-GFCCVEGCSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)(C)CCCC1=C[C@@H](O)CCC1 ZINC000300829435 571973313 /nfs/dbraw/zinc/97/33/13/571973313.db2.gz ICYMVJDVTBFXTB-LBPRGKRZSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)(C)CCC[C@H]1CCCC[C@@H]1O ZINC000300830401 571977548 /nfs/dbraw/zinc/97/75/48/571977548.db2.gz IDTAWLWXYJHAOM-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@@H]1CCCC[C@H]1O ZINC000300830405 571976025 /nfs/dbraw/zinc/97/60/25/571976025.db2.gz IDTAWLWXYJHAOM-NWDGAFQWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@@H]1CCCC[C@@H]1O ZINC000300830410 571977351 /nfs/dbraw/zinc/97/73/51/571977351.db2.gz IDTAWLWXYJHAOM-RYUDHWBXSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@H]1CCCC[C@H]1O ZINC000300830415 571976993 /nfs/dbraw/zinc/97/69/93/571976993.db2.gz IDTAWLWXYJHAOM-VXGBXAGGSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](CCCC(C)(C)C)C(C)=O ZINC000300830539 571976677 /nfs/dbraw/zinc/97/66/77/571976677.db2.gz IEYRPRKSXHLHMC-LLVKDONJSA-N 0 0 184.323 3.818 10 0 AHAERN CC[C@@H](CCCC(C)(C)C)C(C)=O ZINC000300830543 571977031 /nfs/dbraw/zinc/97/70/31/571977031.db2.gz IEYRPRKSXHLHMC-NSHDSACASA-N 0 0 184.323 3.818 10 0 AHAERN CCC[C@@H](C)C(=O)c1cc(C)c(C)o1 ZINC000300830939 571978138 /nfs/dbraw/zinc/97/81/38/571978138.db2.gz CJRCFTUYIIKKOO-MRVPVSSYSA-N 0 0 194.274 3.515 10 0 AHAERN CCC[C@H](C)C(=O)c1cc(C)c(C)o1 ZINC000300830940 571978359 /nfs/dbraw/zinc/97/83/59/571978359.db2.gz CJRCFTUYIIKKOO-QMMMGPOBSA-N 0 0 194.274 3.515 10 0 AHAERN CC(C)C[C@@H](C)CC(=O)[C@H]1CC1(C)C ZINC000300831792 571979966 /nfs/dbraw/zinc/97/99/66/571979966.db2.gz CCXHMLMMXSHKMU-GHMZBOCLSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@@H](C)CC(=O)[C@@H]1CC1(C)C ZINC000300831794 571979323 /nfs/dbraw/zinc/97/93/23/571979323.db2.gz CCXHMLMMXSHKMU-MNOVXSKESA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H](C)CC(=O)[C@@H]1CC1(C)C ZINC000300831796 571979562 /nfs/dbraw/zinc/97/95/62/571979562.db2.gz CCXHMLMMXSHKMU-QWRGUYRKSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H](C)CC(=O)[C@H]1CC1(C)C ZINC000300831798 571978905 /nfs/dbraw/zinc/97/89/05/571978905.db2.gz CCXHMLMMXSHKMU-WDEREUQCSA-N 0 0 196.334 3.674 10 0 AHAERN CCC[C@@H](CO)CCCC(C)(C)C ZINC000300832400 571979602 /nfs/dbraw/zinc/97/96/02/571979602.db2.gz IKHNMORESGWNGI-LLVKDONJSA-N 0 0 186.339 3.611 10 0 AHAERN CCC[C@H](CO)CCCC(C)(C)C ZINC000300832407 571978832 /nfs/dbraw/zinc/97/88/32/571978832.db2.gz IKHNMORESGWNGI-NSHDSACASA-N 0 0 186.339 3.611 10 0 AHAERN C[C@@H]1[C@H](O)CC[C@H]1CCCC(C)(C)C ZINC000300833287 571978199 /nfs/dbraw/zinc/97/81/99/571978199.db2.gz IONKGDRHBLWHIM-QJPTWQEYSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1[C@H](O)CC[C@@H]1CCCC(C)(C)C ZINC000300833292 571978638 /nfs/dbraw/zinc/97/86/38/571978638.db2.gz IONKGDRHBLWHIM-SDDRHHMPSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1[C@@H](O)CC[C@@H]1CCCC(C)(C)C ZINC000300833296 571980047 /nfs/dbraw/zinc/98/00/47/571980047.db2.gz IONKGDRHBLWHIM-SRVKXCTJSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@H]1[C@H](CCCC(C)(C)C)CC[C@@H]1O ZINC000300833300 571978890 /nfs/dbraw/zinc/97/88/90/571978890.db2.gz IONKGDRHBLWHIM-TUAOUCFPSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)CC(=O)c1ccoc1 ZINC000300834024 571979976 /nfs/dbraw/zinc/97/99/76/571979976.db2.gz CKUZVQBPKFWELA-JTQLQIEISA-N 0 0 194.274 3.535 10 0 AHAERN CC(C)C[C@@H](C)CC(=O)c1ccoc1 ZINC000300834026 571978650 /nfs/dbraw/zinc/97/86/50/571978650.db2.gz CKUZVQBPKFWELA-SNVBAGLBSA-N 0 0 194.274 3.535 10 0 AHAERN CC(C)C[C@H](C)C[C@@]1(O)CCC[C@@H]1C ZINC000300834806 571979303 /nfs/dbraw/zinc/97/93/03/571979303.db2.gz CMFDVHYRLGXNHE-AVGNSLFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@@]1(O)CCC[C@H]1C ZINC000300834810 571979783 /nfs/dbraw/zinc/97/97/83/571979783.db2.gz CMFDVHYRLGXNHE-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN Cc1cc(C(=O)CCC(C)C)oc1C ZINC000300835282 571978859 /nfs/dbraw/zinc/97/88/59/571978859.db2.gz DDRGWXWZKHZVHA-UHFFFAOYSA-N 0 0 194.274 3.515 10 0 AHAERN CC[C@@](O)(CCCC(C)(C)C)C1CC1 ZINC000300835652 571978150 /nfs/dbraw/zinc/97/81/50/571978150.db2.gz IZJJOYBRRLDQLH-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@](O)(CCCC(C)(C)C)C1CC1 ZINC000300835653 571978881 /nfs/dbraw/zinc/97/88/81/571978881.db2.gz IZJJOYBRRLDQLH-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)CC(=O)c1cc(C)c(C)o1 ZINC000300839884 571981444 /nfs/dbraw/zinc/98/14/44/571981444.db2.gz FAZGYESHERVCAE-MRVPVSSYSA-N 0 0 194.274 3.515 10 0 AHAERN CC[C@H](C)CC(=O)c1cc(C)c(C)o1 ZINC000300839885 571980329 /nfs/dbraw/zinc/98/03/29/571980329.db2.gz FAZGYESHERVCAE-QMMMGPOBSA-N 0 0 194.274 3.515 10 0 AHAERN CC(C)C[C@H](C)[C@@H](O)CC1CCCC1 ZINC000300844986 571983210 /nfs/dbraw/zinc/98/32/10/571983210.db2.gz DQDXILLGCPWJNW-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)[C@H](O)CC1CCCC1 ZINC000300844988 571983462 /nfs/dbraw/zinc/98/34/62/571983462.db2.gz DQDXILLGCPWJNW-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)[C@H](O)CC1CCCC1 ZINC000300844989 571984009 /nfs/dbraw/zinc/98/40/09/571984009.db2.gz DQDXILLGCPWJNW-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)[C@@H](O)CC1CCCC1 ZINC000300844991 571984821 /nfs/dbraw/zinc/98/48/21/571984821.db2.gz DQDXILLGCPWJNW-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)Nc1cccc(C)c1Cl ZINC000300845796 345004660 /nfs/dbraw/zinc/00/46/60/345004660.db2.gz GDEPFHQAMAUGRH-SECBINFHSA-N 0 0 197.709 3.859 10 0 AHAERN CC[C@H](C)Nc1cccc(C)c1Cl ZINC000300845797 345004890 /nfs/dbraw/zinc/00/48/90/345004890.db2.gz GDEPFHQAMAUGRH-VIFPVBQESA-N 0 0 197.709 3.859 10 0 AHAERN CCCCCC(=O)c1cc(C)c(C)o1 ZINC000300847210 571985109 /nfs/dbraw/zinc/98/51/09/571985109.db2.gz GLJJQPROZFTJGJ-UHFFFAOYSA-N 0 0 194.274 3.659 10 0 AHAERN CC[C@H](CCC1CCCCC1)C(C)=O ZINC000300849328 571985125 /nfs/dbraw/zinc/98/51/25/571985125.db2.gz LNBFTXXLXJYAOU-CYBMUJFWSA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@@H](CCC1CCCCC1)C(C)=O ZINC000300849333 571985731 /nfs/dbraw/zinc/98/57/31/571985731.db2.gz LNBFTXXLXJYAOU-ZDUSSCGKSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@H](O)CC[C@@H](C)CC(C)C ZINC000300849569 571985409 /nfs/dbraw/zinc/98/54/09/571985409.db2.gz FBSHYXKYVRTAIB-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](O)CC[C@H](C)CC(C)C ZINC000300849572 571985523 /nfs/dbraw/zinc/98/55/23/571985523.db2.gz FBSHYXKYVRTAIB-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](O)CC[C@H](C)CC(C)C ZINC000300849575 571985518 /nfs/dbraw/zinc/98/55/18/571985518.db2.gz FBSHYXKYVRTAIB-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](O)CC[C@@H](C)CC(C)C ZINC000300849577 571985543 /nfs/dbraw/zinc/98/55/43/571985543.db2.gz FBSHYXKYVRTAIB-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)C[C@@H](C)CC(=O)C1CCCC1 ZINC000300850513 571987741 /nfs/dbraw/zinc/98/77/41/571987741.db2.gz FFIHLIJGPAOQBR-LLVKDONJSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@H](C)CC(=O)C1CCCC1 ZINC000300850518 571988287 /nfs/dbraw/zinc/98/82/87/571988287.db2.gz FFIHLIJGPAOQBR-NSHDSACASA-N 0 0 196.334 3.818 10 0 AHAERN CCCCNc1ccc(C)c(CC)c1 ZINC000300852007 571986064 /nfs/dbraw/zinc/98/60/64/571986064.db2.gz HKTDFTIBWGETSF-UHFFFAOYSA-N 0 0 191.318 3.769 10 0 AHAERN CC(C)C[C@H](C)C[C@H]1CCC(=O)[C@@H]1C ZINC000300857188 571989646 /nfs/dbraw/zinc/98/96/46/571989646.db2.gz GADVPNIMEDGAEN-QJPTWQEYSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H](C)C[C@H]1CCC(=O)[C@H]1C ZINC000300857189 571988959 /nfs/dbraw/zinc/98/89/59/571988959.db2.gz GADVPNIMEDGAEN-SDDRHHMPSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H](C)C[C@@H]1CCC(=O)[C@H]1C ZINC000300857190 571990428 /nfs/dbraw/zinc/99/04/28/571990428.db2.gz GADVPNIMEDGAEN-SRVKXCTJSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H](C)C[C@@H]1CCC(=O)[C@@H]1C ZINC000300857191 571990680 /nfs/dbraw/zinc/99/06/80/571990680.db2.gz GADVPNIMEDGAEN-TUAOUCFPSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H](CCC1CCCCC1)[C@H](C)O ZINC000300860170 571991868 /nfs/dbraw/zinc/99/18/68/571991868.db2.gz NLKRGQMGOCIZEG-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](CCC1CCCCC1)[C@@H](C)O ZINC000300860181 571992045 /nfs/dbraw/zinc/99/20/45/571992045.db2.gz NLKRGQMGOCIZEG-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](CCC1CCCCC1)[C@H](C)O ZINC000300860191 571991776 /nfs/dbraw/zinc/99/17/76/571991776.db2.gz NLKRGQMGOCIZEG-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCCCC[C@@H](O)C1CC1 ZINC000300865442 571995419 /nfs/dbraw/zinc/99/54/19/571995419.db2.gz MMIRSJDQNLWAGD-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCCCC[C@H](O)C1CC1 ZINC000300865445 571995492 /nfs/dbraw/zinc/99/54/92/571995492.db2.gz MMIRSJDQNLWAGD-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](C)C(=O)C1CCCC1 ZINC000300865853 571995102 /nfs/dbraw/zinc/99/51/02/571995102.db2.gz DAMDHVBTVNGTFO-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCCC[C@@H](C)C(=O)C1CCCC1 ZINC000300865856 571995390 /nfs/dbraw/zinc/99/53/90/571995390.db2.gz DAMDHVBTVNGTFO-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)C[C@@H](C)CC(=O)CC1CCC1 ZINC000300865945 571994990 /nfs/dbraw/zinc/99/49/90/571994990.db2.gz GZLCFEYUSRJOPN-LLVKDONJSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@H](C)CC(=O)CC1CCC1 ZINC000300865946 571995657 /nfs/dbraw/zinc/99/56/57/571995657.db2.gz GZLCFEYUSRJOPN-NSHDSACASA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H](O)CCCCCC(C)(C)C ZINC000300868314 571995228 /nfs/dbraw/zinc/99/52/28/571995228.db2.gz MWTYWFJWZDOKAT-LLVKDONJSA-N 0 0 186.339 3.754 10 0 AHAERN CC[C@H](O)CCCCCC(C)(C)C ZINC000300868315 571996649 /nfs/dbraw/zinc/99/66/49/571996649.db2.gz MWTYWFJWZDOKAT-NSHDSACASA-N 0 0 186.339 3.754 10 0 AHAERN CC[C@H](CCCC(C)(C)C)[C@@H](C)O ZINC000300869354 571996785 /nfs/dbraw/zinc/99/67/85/571996785.db2.gz NBPFVPUTKKXRAQ-GHMZBOCLSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H](CCCC(C)(C)C)[C@@H](C)O ZINC000300869358 571995954 /nfs/dbraw/zinc/99/59/54/571995954.db2.gz NBPFVPUTKKXRAQ-MNOVXSKESA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H](CCCC(C)(C)C)[C@H](C)O ZINC000300869362 571996095 /nfs/dbraw/zinc/99/60/95/571996095.db2.gz NBPFVPUTKKXRAQ-QWRGUYRKSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](CCCC(C)(C)C)[C@H](C)O ZINC000300869366 571996813 /nfs/dbraw/zinc/99/68/13/571996813.db2.gz NBPFVPUTKKXRAQ-WDEREUQCSA-N 0 0 186.339 3.610 10 0 AHAERN CC(=O)C[C@H](C)C[C@H](C)CC(C)C ZINC000300869419 571996386 /nfs/dbraw/zinc/99/63/86/571996386.db2.gz HKJZSMLUUFOGAS-GHMZBOCLSA-N 0 0 184.323 3.674 10 0 AHAERN CC(=O)C[C@@H](C)C[C@@H](C)CC(C)C ZINC000300869426 571996543 /nfs/dbraw/zinc/99/65/43/571996543.db2.gz HKJZSMLUUFOGAS-QWRGUYRKSA-N 0 0 184.323 3.674 10 0 AHAERN CC(=O)C[C@H](C)C[C@@H](C)CC(C)C ZINC000300869429 571997019 /nfs/dbraw/zinc/99/70/19/571997019.db2.gz HKJZSMLUUFOGAS-WDEREUQCSA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)(C)CCC[C@](C)(CO)C1CC1 ZINC000300872523 571996041 /nfs/dbraw/zinc/99/60/41/571996041.db2.gz NKQAMXTWGGCJEH-CYBMUJFWSA-N 0 0 198.350 3.611 10 0 AHAERN CC(C)(C)CCC[C@@](C)(CO)C1CC1 ZINC000300872524 571996318 /nfs/dbraw/zinc/99/63/18/571996318.db2.gz NKQAMXTWGGCJEH-ZDUSSCGKSA-N 0 0 198.350 3.611 10 0 AHAERN CC(C)C[C@@H](C)CC(=O)[C@@H](C)C(C)C ZINC000300874735 571998736 /nfs/dbraw/zinc/99/87/36/571998736.db2.gz IAUOXAYJQAWDLO-NEPJUHHUSA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)C[C@H](C)CC(=O)[C@H](C)C(C)C ZINC000300874738 571999410 /nfs/dbraw/zinc/99/94/10/571999410.db2.gz IAUOXAYJQAWDLO-NWDGAFQWSA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)C[C@H](C)CC(=O)[C@@H](C)C(C)C ZINC000300874740 571999264 /nfs/dbraw/zinc/99/92/64/571999264.db2.gz IAUOXAYJQAWDLO-RYUDHWBXSA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)C[C@@H](C)CC(=O)[C@H](C)C(C)C ZINC000300874743 571999029 /nfs/dbraw/zinc/99/90/29/571999029.db2.gz IAUOXAYJQAWDLO-VXGBXAGGSA-N 0 0 198.350 3.920 10 0 AHAERN CCCC[C@H](C)[C@H](O)C1CCCCC1 ZINC000300876913 571999415 /nfs/dbraw/zinc/99/94/15/571999415.db2.gz FPEKWTNZKVKILA-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](C)[C@@H](O)C1CCCCC1 ZINC000300876914 571997881 /nfs/dbraw/zinc/99/78/81/571997881.db2.gz FPEKWTNZKVKILA-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](C)[C@@H](O)C1CCCCC1 ZINC000300876915 571998781 /nfs/dbraw/zinc/99/87/81/571998781.db2.gz FPEKWTNZKVKILA-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](C)[C@H](O)C1CCCCC1 ZINC000300876916 571997822 /nfs/dbraw/zinc/99/78/22/571997822.db2.gz FPEKWTNZKVKILA-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C[C@H](C)CC(=O)C(C)(C)C ZINC000300878093 572008439 /nfs/dbraw/zinc/00/84/39/572008439.db2.gz IMPRLFGFFBFANV-JTQLQIEISA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)C[C@@H](C)CC(=O)C(C)(C)C ZINC000300878095 572007032 /nfs/dbraw/zinc/00/70/32/572007032.db2.gz IMPRLFGFFBFANV-SNVBAGLBSA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)(C)CCC[C@@](C)(O)CC1CC1 ZINC000300880197 572004588 /nfs/dbraw/zinc/00/45/88/572004588.db2.gz OKOFVMXCIBMPBM-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@](C)(O)CC1CC1 ZINC000300880210 572004151 /nfs/dbraw/zinc/00/41/51/572004151.db2.gz OKOFVMXCIBMPBM-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](C)[C@H](O)[C@H](C)CCC ZINC000300880422 572005949 /nfs/dbraw/zinc/00/59/49/572005949.db2.gz GAKFJBOAOGIBNJ-GRYCIOLGSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](C)[C@H](O)[C@@H](C)CCC ZINC000300880424 572006302 /nfs/dbraw/zinc/00/63/02/572006302.db2.gz GAKFJBOAOGIBNJ-SDDRHHMPSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](C)[C@@H](O)[C@@H](C)CCC ZINC000300880426 572003679 /nfs/dbraw/zinc/00/36/79/572003679.db2.gz GAKFJBOAOGIBNJ-SRVKXCTJSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](C)[C@@H](O)[C@H](C)CCC ZINC000300880428 572005286 /nfs/dbraw/zinc/00/52/86/572005286.db2.gz GAKFJBOAOGIBNJ-WOPDTQHZSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCNc1cccc(C)c1F ZINC000300881216 572004572 /nfs/dbraw/zinc/00/45/72/572004572.db2.gz ADUYIZPDAKHAOW-UHFFFAOYSA-N 0 0 195.281 3.736 10 0 AHAERN CCCCC[C@H](O)[C@H](C)CC(C)C ZINC000300883719 572015386 /nfs/dbraw/zinc/01/53/86/572015386.db2.gz SGKXMRXZVDCUJD-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCC[C@@H](O)[C@@H](C)CC(C)C ZINC000300883721 572016153 /nfs/dbraw/zinc/01/61/53/572016153.db2.gz SGKXMRXZVDCUJD-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCC[C@H](O)[C@@H](C)CC(C)C ZINC000300883724 572014922 /nfs/dbraw/zinc/01/49/22/572014922.db2.gz SGKXMRXZVDCUJD-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCC[C@@H](O)[C@H](C)CC(C)C ZINC000300883727 572015745 /nfs/dbraw/zinc/01/57/45/572015745.db2.gz SGKXMRXZVDCUJD-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)(C)CCC[C@H]1CCC[C@H](O)C1 ZINC000300883872 572016602 /nfs/dbraw/zinc/01/66/02/572016602.db2.gz OTWXRMQUEHRIEI-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@@H]1CCC[C@@H](O)C1 ZINC000300883874 572016853 /nfs/dbraw/zinc/01/68/53/572016853.db2.gz OTWXRMQUEHRIEI-NWDGAFQWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@@H]1CCC[C@H](O)C1 ZINC000300883877 572015872 /nfs/dbraw/zinc/01/58/72/572015872.db2.gz OTWXRMQUEHRIEI-RYUDHWBXSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@H]1CCC[C@@H](O)C1 ZINC000300883879 572014742 /nfs/dbraw/zinc/01/47/42/572014742.db2.gz OTWXRMQUEHRIEI-VXGBXAGGSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCNc1ccc(CC)c(C)c1 ZINC000300885575 572015143 /nfs/dbraw/zinc/01/51/43/572015143.db2.gz NPHIQHRTWHSNQN-UHFFFAOYSA-N 0 0 191.318 3.769 10 0 AHAERN CCCC[C@@H](C)C(=O)c1cccs1 ZINC000300889240 572023277 /nfs/dbraw/zinc/02/32/77/572023277.db2.gz HHDGOMNKZWZDCE-SECBINFHSA-N 0 0 196.315 3.757 10 0 AHAERN CCCC[C@H](C)C(=O)c1cccs1 ZINC000300889242 572023402 /nfs/dbraw/zinc/02/34/02/572023402.db2.gz HHDGOMNKZWZDCE-VIFPVBQESA-N 0 0 196.315 3.757 10 0 AHAERN CC(C)C[C@H](C)C[C@H]1CCC[C@H](O)C1 ZINC000300891661 572024785 /nfs/dbraw/zinc/02/47/85/572024785.db2.gz JYXKYBSMVCDFJQ-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@H]1CCC[C@@H](O)C1 ZINC000300891664 572026382 /nfs/dbraw/zinc/02/63/82/572026382.db2.gz JYXKYBSMVCDFJQ-YNEHKIRRSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)C[C@H]1CCCCC1=O ZINC000300892686 572026068 /nfs/dbraw/zinc/02/60/68/572026068.db2.gz KAXQGKNJURQNLM-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@@H](C)C[C@@H]1CCCC(=O)C1 ZINC000300898267 572033380 /nfs/dbraw/zinc/03/33/80/572033380.db2.gz KRATUNZMTBZOHR-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@H](C)C[C@H]1CCCC(=O)C1 ZINC000300898268 572034043 /nfs/dbraw/zinc/03/40/43/572034043.db2.gz KRATUNZMTBZOHR-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@H](C)C[C@@H]1CCCC(=O)C1 ZINC000300898269 572033356 /nfs/dbraw/zinc/03/33/56/572033356.db2.gz KRATUNZMTBZOHR-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@@H](C)C[C@H]1CCCC(=O)C1 ZINC000300898270 572033756 /nfs/dbraw/zinc/03/37/56/572033756.db2.gz KRATUNZMTBZOHR-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)(C)CCC[C@@H](O)c1ccoc1 ZINC000300901541 572037988 /nfs/dbraw/zinc/03/79/88/572037988.db2.gz QYUKVZRHLQGPPG-LLVKDONJSA-N 0 0 196.290 3.529 10 0 AHAERN CC(C)(C)CCC[C@H](O)c1ccoc1 ZINC000300901542 572037455 /nfs/dbraw/zinc/03/74/55/572037455.db2.gz QYUKVZRHLQGPPG-NSHDSACASA-N 0 0 196.290 3.529 10 0 AHAERN CCCCCC[C@@]1(C)[C@@H](CO)C1(C)C ZINC000300902084 572036644 /nfs/dbraw/zinc/03/66/44/572036644.db2.gz CIVPSVCQZBKBIA-AAEUAGOBSA-N 0 0 198.350 3.611 10 0 AHAERN CCCCCC[C@]1(C)[C@H](CO)C1(C)C ZINC000300902085 572037269 /nfs/dbraw/zinc/03/72/69/572037269.db2.gz CIVPSVCQZBKBIA-DGCLKSJQSA-N 0 0 198.350 3.611 10 0 AHAERN CCCCCC[C@]1(C)[C@@H](CO)C1(C)C ZINC000300902087 572036331 /nfs/dbraw/zinc/03/63/31/572036331.db2.gz CIVPSVCQZBKBIA-WCQYABFASA-N 0 0 198.350 3.611 10 0 AHAERN CCCCCC[C@@]1(C)[C@H](CO)C1(C)C ZINC000300902089 572037256 /nfs/dbraw/zinc/03/72/56/572037256.db2.gz CIVPSVCQZBKBIA-YPMHNXCESA-N 0 0 198.350 3.611 10 0 AHAERN CC(C)C[C@@H](C)COc1ccccc1 ZINC000300905564 572038203 /nfs/dbraw/zinc/03/82/03/572038203.db2.gz LHZIPFCVYGGCIU-GFCCVEGCSA-N 0 0 192.302 3.748 10 0 AHAERN CC(C)C[C@H](C)COc1ccccc1 ZINC000300905568 572037010 /nfs/dbraw/zinc/03/70/10/572037010.db2.gz LHZIPFCVYGGCIU-LBPRGKRZSA-N 0 0 192.302 3.748 10 0 AHAERN CC(C)C[C@H](C)CCCC(=O)C1CC1 ZINC000300906679 572040843 /nfs/dbraw/zinc/04/08/43/572040843.db2.gz LLCRXUDYKSTARB-LLVKDONJSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@@H](C)CCCC(=O)C1CC1 ZINC000300906682 572039837 /nfs/dbraw/zinc/03/98/37/572039837.db2.gz LLCRXUDYKSTARB-NSHDSACASA-N 0 0 196.334 3.818 10 0 AHAERN C/C=C/CNc1cccc(C)c1Cl ZINC000300906948 345011820 /nfs/dbraw/zinc/01/18/20/345011820.db2.gz RBULSSWIVVHBED-ONEGZZNKSA-N 0 0 195.693 3.636 10 0 AHAERN CCCC[C@H](C)[C@@H](O)c1cccs1 ZINC000300907400 572039510 /nfs/dbraw/zinc/03/95/10/572039510.db2.gz JPVDVBBRJDRXLF-GXSJLCMTSA-N 0 0 198.331 3.608 10 0 AHAERN CCCC[C@@H](C)[C@H](O)c1cccs1 ZINC000300907402 572039227 /nfs/dbraw/zinc/03/92/27/572039227.db2.gz JPVDVBBRJDRXLF-KOLCDFICSA-N 0 0 198.331 3.608 10 0 AHAERN CCCC[C@@H](C)[C@@H](O)c1cccs1 ZINC000300907404 572040339 /nfs/dbraw/zinc/04/03/39/572040339.db2.gz JPVDVBBRJDRXLF-MWLCHTKSSA-N 0 0 198.331 3.608 10 0 AHAERN CCCC[C@H](C)[C@H](O)c1cccs1 ZINC000300907406 572039973 /nfs/dbraw/zinc/03/99/73/572039973.db2.gz JPVDVBBRJDRXLF-ONGXEEELSA-N 0 0 198.331 3.608 10 0 AHAERN CCCC[C@H](C)[C@H](O)C[C@H](C)CC ZINC000300907423 572040432 /nfs/dbraw/zinc/04/04/32/572040432.db2.gz JQAVOSCPQNINHO-GRYCIOLGSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](C)[C@H](O)C[C@@H](C)CC ZINC000300907426 572039079 /nfs/dbraw/zinc/03/90/79/572039079.db2.gz JQAVOSCPQNINHO-SDDRHHMPSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](C)[C@@H](O)C[C@@H](C)CC ZINC000300907429 572040364 /nfs/dbraw/zinc/04/03/64/572040364.db2.gz JQAVOSCPQNINHO-SRVKXCTJSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](C)[C@@H](O)C[C@H](C)CC ZINC000300907430 572040331 /nfs/dbraw/zinc/04/03/31/572040331.db2.gz JQAVOSCPQNINHO-WOPDTQHZSA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)(C)CCC[C@H]1CCC(=O)C1 ZINC000300908175 572039303 /nfs/dbraw/zinc/03/93/03/572039303.db2.gz RPNYNBRCRFSFIW-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)(C)CCC[C@H]1CCCC(=O)C1 ZINC000300909072 572043147 /nfs/dbraw/zinc/04/31/47/572043147.db2.gz RRVAMBDISKPSSJ-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(=O)[C@@H](C)CCCC(C)(C)C ZINC000300910084 572041613 /nfs/dbraw/zinc/04/16/13/572041613.db2.gz RXDSPQYIVJXNLR-JTQLQIEISA-N 0 0 184.323 3.818 10 0 AHAERN Cc1cccc(NCC(C)C)c1Cl ZINC000300910551 345012430 /nfs/dbraw/zinc/01/24/30/345012430.db2.gz RRZBZWJKOJFHSX-UHFFFAOYSA-N 0 0 197.709 3.716 10 0 AHAERN CCC[C@@](C)(O)CCCC(C)(C)C ZINC000300911834 572042311 /nfs/dbraw/zinc/04/23/11/572042311.db2.gz SBMMKLYNLUJGDI-GFCCVEGCSA-N 0 0 186.339 3.754 10 0 AHAERN CCC[C@](C)(O)CCCC(C)(C)C ZINC000300911835 572041958 /nfs/dbraw/zinc/04/19/58/572041958.db2.gz SBMMKLYNLUJGDI-LBPRGKRZSA-N 0 0 186.339 3.754 10 0 AHAERN CC(C)(C)CCC[C@@]1(C)CC[C@H](O)C1 ZINC000300914112 572041768 /nfs/dbraw/zinc/04/17/68/572041768.db2.gz SKVNAYSVPCYTJT-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@]1(C)CC[C@@H](O)C1 ZINC000300914113 572042942 /nfs/dbraw/zinc/04/29/42/572042942.db2.gz SKVNAYSVPCYTJT-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@]1(C)CC[C@H](O)C1 ZINC000300914114 572042082 /nfs/dbraw/zinc/04/20/82/572042082.db2.gz SKVNAYSVPCYTJT-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CCC[C@@]1(C)CC[C@@H](O)C1 ZINC000300914115 572043278 /nfs/dbraw/zinc/04/32/78/572043278.db2.gz SKVNAYSVPCYTJT-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](C)C(=O)CCC1CC1 ZINC000300921709 572057637 /nfs/dbraw/zinc/05/76/37/572057637.db2.gz LHJZINNHASPUEJ-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCCC[C@@H](C)C(=O)CCC1CC1 ZINC000300921714 572058054 /nfs/dbraw/zinc/05/80/54/572058054.db2.gz LHJZINNHASPUEJ-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)C[C@H](C)C[C@H](O)C1CCCC1 ZINC000300923561 572062774 /nfs/dbraw/zinc/06/27/74/572062774.db2.gz NBHFBDNOMJUKCY-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)C[C@@H](O)C1CCCC1 ZINC000300923563 572061979 /nfs/dbraw/zinc/06/19/79/572061979.db2.gz NBHFBDNOMJUKCY-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@@H](O)C1CCCC1 ZINC000300923566 572063157 /nfs/dbraw/zinc/06/31/57/572063157.db2.gz NBHFBDNOMJUKCY-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)C[C@H](O)C1CCCC1 ZINC000300923569 572062652 /nfs/dbraw/zinc/06/26/52/572062652.db2.gz NBHFBDNOMJUKCY-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]([C@@H](O)CCCC(C)(C)C)C1CC1 ZINC000300923970 572065364 /nfs/dbraw/zinc/06/53/64/572065364.db2.gz UFNLHEZYFQUZAR-PWSUYJOCSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]([C@H](O)CCCC(C)(C)C)C1CC1 ZINC000300923971 572064091 /nfs/dbraw/zinc/06/40/91/572064091.db2.gz UFNLHEZYFQUZAR-ZYHUDNBSSA-N 0 0 198.350 3.610 10 0 AHAERN CCCCC(=O)C[C@H](C)CC(C)C ZINC000300925654 572069017 /nfs/dbraw/zinc/06/90/17/572069017.db2.gz NGPQLJWRSILZEH-LLVKDONJSA-N 0 0 184.323 3.818 10 0 AHAERN CCCCC(=O)C[C@@H](C)CC(C)C ZINC000300925656 572070550 /nfs/dbraw/zinc/07/05/50/572070550.db2.gz NGPQLJWRSILZEH-NSHDSACASA-N 0 0 184.323 3.818 10 0 AHAERN CC(C)C[C@H](C)CC(=O)c1ccco1 ZINC000300933480 572096112 /nfs/dbraw/zinc/09/61/12/572096112.db2.gz NYPQFOBPSIMSFI-JTQLQIEISA-N 0 0 194.274 3.535 10 0 AHAERN CC(C)C[C@@H](C)CC(=O)c1ccco1 ZINC000300933481 572095304 /nfs/dbraw/zinc/09/53/04/572095304.db2.gz NYPQFOBPSIMSFI-SNVBAGLBSA-N 0 0 194.274 3.535 10 0 AHAERN C[C@H]1C(=O)CC[C@@H]1CCCC(C)(C)C ZINC000300933713 572095871 /nfs/dbraw/zinc/09/58/71/572095871.db2.gz VFSVQQFRFMANHD-MNOVXSKESA-N 0 0 196.334 3.818 10 0 AHAERN C[C@@H]1C(=O)CC[C@@H]1CCCC(C)(C)C ZINC000300933717 572098073 /nfs/dbraw/zinc/09/80/73/572098073.db2.gz VFSVQQFRFMANHD-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN C[C@@H]1C(=O)CC[C@H]1CCCC(C)(C)C ZINC000300933720 572098275 /nfs/dbraw/zinc/09/82/75/572098275.db2.gz VFSVQQFRFMANHD-WDEREUQCSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC[C@@H](C)C(=O)c1ccc(C)o1 ZINC000300934648 572091562 /nfs/dbraw/zinc/09/15/62/572091562.db2.gz MZERJDLZGDHLDC-SECBINFHSA-N 0 0 194.274 3.597 10 0 AHAERN CCCC[C@H](C)C(=O)c1ccc(C)o1 ZINC000300934650 572091684 /nfs/dbraw/zinc/09/16/84/572091684.db2.gz MZERJDLZGDHLDC-VIFPVBQESA-N 0 0 194.274 3.597 10 0 AHAERN CC(C)(C)CCCC(=O)[C@@H]1CC1(C)C ZINC000300935865 572098257 /nfs/dbraw/zinc/09/82/57/572098257.db2.gz VNGBDINZKIKIOX-JTQLQIEISA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)(C)CCCC(=O)[C@H]1CC1(C)C ZINC000300935867 572097422 /nfs/dbraw/zinc/09/74/22/572097422.db2.gz VNGBDINZKIKIOX-SNVBAGLBSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H](C)[C@H](O)CCCC(C)(C)C ZINC000300945419 572117309 /nfs/dbraw/zinc/11/73/09/572117309.db2.gz WNVQFOHDSYBFNS-GHMZBOCLSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H](C)[C@@H](O)CCCC(C)(C)C ZINC000300945420 572116532 /nfs/dbraw/zinc/11/65/32/572116532.db2.gz WNVQFOHDSYBFNS-MNOVXSKESA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](C)[C@@H](O)CCCC(C)(C)C ZINC000300945421 572117470 /nfs/dbraw/zinc/11/74/70/572117470.db2.gz WNVQFOHDSYBFNS-QWRGUYRKSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](C)[C@H](O)CCCC(C)(C)C ZINC000300945422 572116027 /nfs/dbraw/zinc/11/60/27/572116027.db2.gz WNVQFOHDSYBFNS-WDEREUQCSA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)C[C@H](C)CNc1ccsc1 ZINC000300947887 572119819 /nfs/dbraw/zinc/11/98/19/572119819.db2.gz PJBQCWRZZMTRGK-JTQLQIEISA-N 0 0 197.347 3.842 10 0 AHAERN CC(C)C[C@@H](C)CNc1ccsc1 ZINC000300947888 572121269 /nfs/dbraw/zinc/12/12/69/572121269.db2.gz PJBQCWRZZMTRGK-SNVBAGLBSA-N 0 0 197.347 3.842 10 0 AHAERN CC(C)C[C@H](C)[C@H](O)C1=CCCCC1 ZINC000300948736 572122186 /nfs/dbraw/zinc/12/21/86/572122186.db2.gz PLWRBBYVLAOFKF-AAEUAGOBSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@@H](C)[C@@H](O)C1=CCCCC1 ZINC000300948740 572123842 /nfs/dbraw/zinc/12/38/42/572123842.db2.gz PLWRBBYVLAOFKF-DGCLKSJQSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@H](C)[C@@H](O)C1=CCCCC1 ZINC000300948743 572124301 /nfs/dbraw/zinc/12/43/01/572124301.db2.gz PLWRBBYVLAOFKF-WCQYABFASA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@@H](C)[C@H](O)C1=CCCCC1 ZINC000300948747 572122378 /nfs/dbraw/zinc/12/23/78/572122378.db2.gz PLWRBBYVLAOFKF-YPMHNXCESA-N 0 0 196.334 3.530 10 0 AHAERN CCC(=O)[C@H](C)C[C@H](C)CC(C)C ZINC000300951379 572129685 /nfs/dbraw/zinc/12/96/85/572129685.db2.gz PSIUPWPQJGSJNB-GHMZBOCLSA-N 0 0 184.323 3.674 10 0 AHAERN CCC(=O)[C@@H](C)C[C@H](C)CC(C)C ZINC000300951382 572128321 /nfs/dbraw/zinc/12/83/21/572128321.db2.gz PSIUPWPQJGSJNB-MNOVXSKESA-N 0 0 184.323 3.674 10 0 AHAERN CCC(=O)[C@@H](C)C[C@@H](C)CC(C)C ZINC000300951386 572128209 /nfs/dbraw/zinc/12/82/09/572128209.db2.gz PSIUPWPQJGSJNB-QWRGUYRKSA-N 0 0 184.323 3.674 10 0 AHAERN CCC(=O)[C@H](C)C[C@@H](C)CC(C)C ZINC000300951391 572129852 /nfs/dbraw/zinc/12/98/52/572129852.db2.gz PSIUPWPQJGSJNB-WDEREUQCSA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)(C)CCCCCC(=O)C1CC1 ZINC000300956994 572145950 /nfs/dbraw/zinc/14/59/50/572145950.db2.gz YBBHHCUPSGLLPE-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H](C)[C@H](O)C1=CCCCC1 ZINC000300959255 572167017 /nfs/dbraw/zinc/16/70/17/572167017.db2.gz QEMPPAZQVCTSSZ-AAEUAGOBSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@@H](C)[C@@H](O)C1=CCCCC1 ZINC000300959256 572167352 /nfs/dbraw/zinc/16/73/52/572167352.db2.gz QEMPPAZQVCTSSZ-DGCLKSJQSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@H](C)[C@@H](O)C1=CCCCC1 ZINC000300959257 572166896 /nfs/dbraw/zinc/16/68/96/572166896.db2.gz QEMPPAZQVCTSSZ-WCQYABFASA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@@H](C)[C@H](O)C1=CCCCC1 ZINC000300959258 572166551 /nfs/dbraw/zinc/16/65/51/572166551.db2.gz QEMPPAZQVCTSSZ-YPMHNXCESA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H](C)C[C@]1(C)CCC(=O)C1 ZINC000300959938 572169201 /nfs/dbraw/zinc/16/92/01/572169201.db2.gz QTULCCDJQKIFJV-AAEUAGOBSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@H](C)C[C@@]1(C)CCC(=O)C1 ZINC000300959942 572169897 /nfs/dbraw/zinc/16/98/97/572169897.db2.gz QTULCCDJQKIFJV-WCQYABFASA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@@H](C)C[C@]1(C)CCC(=O)C1 ZINC000300959944 572170384 /nfs/dbraw/zinc/17/03/84/572170384.db2.gz QTULCCDJQKIFJV-YPMHNXCESA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@H](C)C[C@@H]1CCCC[C@@H]1O ZINC000300960782 572176042 /nfs/dbraw/zinc/17/60/42/572176042.db2.gz QXCDKSJEWCLOMB-AVGNSLFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@@H]1CCCC[C@H]1O ZINC000300960784 572176211 /nfs/dbraw/zinc/17/62/11/572176211.db2.gz QXCDKSJEWCLOMB-RWMBFGLXSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@H]1CCCC[C@@H]1O ZINC000300960786 572176108 /nfs/dbraw/zinc/17/61/08/572176108.db2.gz QXCDKSJEWCLOMB-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@H]1CCCC[C@H]1O ZINC000300960788 572173939 /nfs/dbraw/zinc/17/39/39/572173939.db2.gz QXCDKSJEWCLOMB-YNEHKIRRSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@H](C)[C@@H](O)CC1CCCC1 ZINC000300965310 572186374 /nfs/dbraw/zinc/18/63/74/572186374.db2.gz RCMUQHJBNFMRPZ-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CC(=O)[C@@H](C[C@@H](C)CC(C)C)C(C)C ZINC000300965326 572187088 /nfs/dbraw/zinc/18/70/88/572187088.db2.gz RMLCPGKOUMKTIY-AAEUAGOBSA-N 0 0 198.350 3.920 10 0 AHAERN CC(=O)[C@H](C[C@H](C)CC(C)C)C(C)C ZINC000300965329 572187243 /nfs/dbraw/zinc/18/72/43/572187243.db2.gz RMLCPGKOUMKTIY-DGCLKSJQSA-N 0 0 198.350 3.920 10 0 AHAERN CC(=O)[C@H](C[C@@H](C)CC(C)C)C(C)C ZINC000300965332 572186293 /nfs/dbraw/zinc/18/62/93/572186293.db2.gz RMLCPGKOUMKTIY-WCQYABFASA-N 0 0 198.350 3.920 10 0 AHAERN CC(C)(C)CCC(=O)CCC1CC1 ZINC000300966505 572187434 /nfs/dbraw/zinc/18/74/34/572187434.db2.gz ZDFANXRZDWLTRH-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC[C@@H](C)C(=O)[C@H](C)CCC ZINC000300968937 572188197 /nfs/dbraw/zinc/18/81/97/572188197.db2.gz RQOQQRLBFVYPSO-GHMZBOCLSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@H](C)C(=O)[C@H](C)CCC ZINC000300968939 572188398 /nfs/dbraw/zinc/18/83/98/572188398.db2.gz RQOQQRLBFVYPSO-MNOVXSKESA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@H](C)C(=O)[C@@H](C)CCC ZINC000300968941 572188737 /nfs/dbraw/zinc/18/87/37/572188737.db2.gz RQOQQRLBFVYPSO-QWRGUYRKSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@@H](C)C(=O)[C@@H](C)CCC ZINC000300968943 572188267 /nfs/dbraw/zinc/18/82/67/572188267.db2.gz RQOQQRLBFVYPSO-WDEREUQCSA-N 0 0 184.323 3.818 10 0 AHAERN CC(C)(C)CCC[C@@H](O)[C@H]1CC1(C)C ZINC000300969321 572190408 /nfs/dbraw/zinc/19/04/08/572190408.db2.gz ZREIMFQEQCHRMD-GHMZBOCLSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)(C)CCC[C@H](O)[C@H]1CC1(C)C ZINC000300969323 572189283 /nfs/dbraw/zinc/18/92/83/572189283.db2.gz ZREIMFQEQCHRMD-MNOVXSKESA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)(C)CCC[C@H](O)[C@@H]1CC1(C)C ZINC000300969325 572189077 /nfs/dbraw/zinc/18/90/77/572189077.db2.gz ZREIMFQEQCHRMD-QWRGUYRKSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)(C)CCC[C@@H](O)[C@@H]1CC1(C)C ZINC000300969327 572188866 /nfs/dbraw/zinc/18/88/66/572188866.db2.gz ZREIMFQEQCHRMD-WDEREUQCSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)CC1(O)CCCCC1 ZINC000300970097 572190970 /nfs/dbraw/zinc/19/09/70/572190970.db2.gz SAKNBRWZZSXZIU-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C[C@H](C)CC1(O)CCCCC1 ZINC000300970101 572191633 /nfs/dbraw/zinc/19/16/33/572191633.db2.gz SAKNBRWZZSXZIU-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](C)[C@@H](O)c1ccsc1 ZINC000300973756 572202027 /nfs/dbraw/zinc/20/20/27/572202027.db2.gz SJQFQSODYVXZSM-GXSJLCMTSA-N 0 0 198.331 3.608 10 0 AHAERN CCCC[C@@H](C)[C@H](O)c1ccsc1 ZINC000300973757 572201931 /nfs/dbraw/zinc/20/19/31/572201931.db2.gz SJQFQSODYVXZSM-KOLCDFICSA-N 0 0 198.331 3.608 10 0 AHAERN CCCC[C@@H](C)[C@@H](O)c1ccsc1 ZINC000300973759 572201645 /nfs/dbraw/zinc/20/16/45/572201645.db2.gz SJQFQSODYVXZSM-MWLCHTKSSA-N 0 0 198.331 3.608 10 0 AHAERN CC(C)C[C@@H](C)CNc1ccccc1 ZINC000300973821 572202050 /nfs/dbraw/zinc/20/20/50/572202050.db2.gz SLZFDRBXTAXCRG-GFCCVEGCSA-N 0 0 191.318 3.781 10 0 AHAERN CC(C)C[C@H](C)CNc1ccccc1 ZINC000300973822 572202108 /nfs/dbraw/zinc/20/21/08/572202108.db2.gz SLZFDRBXTAXCRG-LBPRGKRZSA-N 0 0 191.318 3.781 10 0 AHAERN CC(C)C[C@H](C)C[C@]1(C)CC[C@H](O)C1 ZINC000300974560 572202977 /nfs/dbraw/zinc/20/29/77/572202977.db2.gz SPGBWYMSROWOKA-AVGNSLFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@@]1(C)CC[C@H](O)C1 ZINC000300974561 572204807 /nfs/dbraw/zinc/20/48/07/572204807.db2.gz SPGBWYMSROWOKA-RWMBFGLXSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@]1(C)CC[C@@H](O)C1 ZINC000300974562 572204617 /nfs/dbraw/zinc/20/46/17/572204617.db2.gz SPGBWYMSROWOKA-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@@]1(C)CC[C@@H](O)C1 ZINC000300974563 572203043 /nfs/dbraw/zinc/20/30/43/572203043.db2.gz SPGBWYMSROWOKA-YNEHKIRRSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@H](C)C(=O)CC1CCC1 ZINC000300975445 572203561 /nfs/dbraw/zinc/20/35/61/572203561.db2.gz SPIYBJVAAYMGSA-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCCC[C@@H](C)C(=O)CC1CCC1 ZINC000300975446 572204085 /nfs/dbraw/zinc/20/40/85/572204085.db2.gz SPIYBJVAAYMGSA-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)C[C@H](C)C[C@](C)(O)C1(C)CC1 ZINC000300976041 572205693 /nfs/dbraw/zinc/20/56/93/572205693.db2.gz SSILBGBACNMGPW-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)C[C@@](C)(O)C1(C)CC1 ZINC000300976043 572205522 /nfs/dbraw/zinc/20/55/22/572205522.db2.gz SSILBGBACNMGPW-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@@](C)(O)C1(C)CC1 ZINC000300976045 572205543 /nfs/dbraw/zinc/20/55/43/572205543.db2.gz SSILBGBACNMGPW-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)C[C@](C)(O)C1(C)CC1 ZINC000300976047 572205685 /nfs/dbraw/zinc/20/56/85/572205685.db2.gz SSILBGBACNMGPW-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@]1(O)CC[C@@H](C)C1 ZINC000300978972 572208765 /nfs/dbraw/zinc/20/87/65/572208765.db2.gz TXBXMAMPEMZOOW-AGIUHOORSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@]1(O)CC[C@H](C)C1 ZINC000300978973 572209775 /nfs/dbraw/zinc/20/97/75/572209775.db2.gz TXBXMAMPEMZOOW-AVGNSLFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@@]1(O)CC[C@@H](C)C1 ZINC000300978974 572208824 /nfs/dbraw/zinc/20/88/24/572208824.db2.gz TXBXMAMPEMZOOW-FRRDWIJNSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@@]1(O)CC[C@H](C)C1 ZINC000300978975 572209697 /nfs/dbraw/zinc/20/96/97/572209697.db2.gz TXBXMAMPEMZOOW-RWMBFGLXSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@@H](C)C(=O)C[C@H](C)CC ZINC000300981537 572218141 /nfs/dbraw/zinc/21/81/41/572218141.db2.gz UJEACOHSWLOAPU-GHMZBOCLSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@H](C)C(=O)C[C@H](C)CC ZINC000300981539 572220014 /nfs/dbraw/zinc/22/00/14/572220014.db2.gz UJEACOHSWLOAPU-MNOVXSKESA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@H](C)C(=O)C[C@@H](C)CC ZINC000300981540 572218683 /nfs/dbraw/zinc/21/86/83/572218683.db2.gz UJEACOHSWLOAPU-QWRGUYRKSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@@H](C)C(=O)C[C@@H](C)CC ZINC000300981542 572219391 /nfs/dbraw/zinc/21/93/91/572219391.db2.gz UJEACOHSWLOAPU-WDEREUQCSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@@H](C)[C@@H](O)CCC(C)C ZINC000300982796 572221854 /nfs/dbraw/zinc/22/18/54/572221854.db2.gz UPBVPEZRCNGHTJ-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](C)[C@H](O)CCC(C)C ZINC000300982798 572223149 /nfs/dbraw/zinc/22/31/49/572223149.db2.gz UPBVPEZRCNGHTJ-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@@H](C)[C@H](O)CCC(C)C ZINC000300982802 572222798 /nfs/dbraw/zinc/22/27/98/572222798.db2.gz UPBVPEZRCNGHTJ-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](C)C(=O)C(CC)CC ZINC000300984590 572222677 /nfs/dbraw/zinc/22/26/77/572222677.db2.gz UWHYSOOCMQGJJK-JTQLQIEISA-N 0 0 184.323 3.818 10 0 AHAERN CCCC[C@@H](C)C(=O)C(CC)CC ZINC000300984591 572222670 /nfs/dbraw/zinc/22/26/70/572222670.db2.gz UWHYSOOCMQGJJK-SNVBAGLBSA-N 0 0 184.323 3.818 10 0 AHAERN CCC(=O)CCC[C@@H](C)CC(C)C ZINC000300986659 572222374 /nfs/dbraw/zinc/22/23/74/572222374.db2.gz UXZRHELPKXHSFS-LLVKDONJSA-N 0 0 184.323 3.818 10 0 AHAERN CCC(=O)CCC[C@H](C)CC(C)C ZINC000300986660 572222929 /nfs/dbraw/zinc/22/29/29/572222929.db2.gz UXZRHELPKXHSFS-NSHDSACASA-N 0 0 184.323 3.818 10 0 AHAERN CC(C)C[C@@H](C)CC(=O)[C@H](C)C1CC1 ZINC000300989593 572224091 /nfs/dbraw/zinc/22/40/91/572224091.db2.gz VKESMARVAPALCV-GHMZBOCLSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@@H](C)CC(=O)[C@@H](C)C1CC1 ZINC000300989596 572226054 /nfs/dbraw/zinc/22/60/54/572226054.db2.gz VKESMARVAPALCV-MNOVXSKESA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H](C)CC(=O)[C@@H](C)C1CC1 ZINC000300989599 572223880 /nfs/dbraw/zinc/22/38/80/572223880.db2.gz VKESMARVAPALCV-QWRGUYRKSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H](C)CC(=O)[C@H](C)C1CC1 ZINC000300989601 572225182 /nfs/dbraw/zinc/22/51/82/572225182.db2.gz VKESMARVAPALCV-WDEREUQCSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@@H](C)C(=O)C1CCCCC1 ZINC000300994625 572231259 /nfs/dbraw/zinc/23/12/59/572231259.db2.gz WSKGONBHRWWJFZ-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H](C)C(=O)C1CCCCC1 ZINC000300994626 572231111 /nfs/dbraw/zinc/23/11/11/572231111.db2.gz WSKGONBHRWWJFZ-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@H](C)[C@@H](O)C(CC)CC ZINC000301000736 571722703 /nfs/dbraw/zinc/72/27/03/571722703.db2.gz XXTSNZKSIKXHJG-CMPLNLGQSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](C)[C@H](O)C(CC)CC ZINC000301000738 571722841 /nfs/dbraw/zinc/72/28/41/571722841.db2.gz XXTSNZKSIKXHJG-JQWIXIFHSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](O)CCC[C@@H](C)CC(C)C ZINC000301003047 571770116 /nfs/dbraw/zinc/77/01/16/571770116.db2.gz XKKVBJUHRVNWEM-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H](O)CCC[C@H](C)CC(C)C ZINC000301003048 571770098 /nfs/dbraw/zinc/77/00/98/571770098.db2.gz XKKVBJUHRVNWEM-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](O)CCC[C@H](C)CC(C)C ZINC000301003049 571767681 /nfs/dbraw/zinc/76/76/81/571767681.db2.gz XKKVBJUHRVNWEM-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@H](C[C@@H](C)CC(C)C)C(C)=O ZINC000301004185 571770652 /nfs/dbraw/zinc/77/06/52/571770652.db2.gz XPOZAMBAUHGNSN-CMPLNLGQSA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@@H](C[C@@H](C)CC(C)C)C(C)=O ZINC000301004188 571768490 /nfs/dbraw/zinc/76/84/90/571768490.db2.gz XPOZAMBAUHGNSN-JQWIXIFHSA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@@H](C[C@H](C)CC(C)C)C(C)=O ZINC000301004192 571769744 /nfs/dbraw/zinc/76/97/44/571769744.db2.gz XPOZAMBAUHGNSN-PWSUYJOCSA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)C[C@@H](C)C[C@@]1(O)C=CCCC1 ZINC000301006780 571778766 /nfs/dbraw/zinc/77/87/66/571778766.db2.gz XZNVFKVUKUWVRX-CHWSQXEVSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@@H](C)C[C@]1(O)C=CCCC1 ZINC000301006783 571778615 /nfs/dbraw/zinc/77/86/15/571778615.db2.gz XZNVFKVUKUWVRX-OLZOCXBDSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@H](C)C[C@@]1(O)C=CCCC1 ZINC000301006786 571779558 /nfs/dbraw/zinc/77/95/58/571779558.db2.gz XZNVFKVUKUWVRX-QWHCGFSZSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@H](C)C[C@](C)(O)CC1CC1 ZINC000301012619 571787256 /nfs/dbraw/zinc/78/72/56/571787256.db2.gz ZAVUUJXZHRQUKI-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)C[C@@](C)(O)CC1CC1 ZINC000301012620 571786532 /nfs/dbraw/zinc/78/65/32/571786532.db2.gz ZAVUUJXZHRQUKI-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@@](C)(O)CC1CC1 ZINC000301012621 571785982 /nfs/dbraw/zinc/78/59/82/571785982.db2.gz ZAVUUJXZHRQUKI-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)C[C@](C)(O)CC1CC1 ZINC000301012622 571786054 /nfs/dbraw/zinc/78/60/54/571786054.db2.gz ZAVUUJXZHRQUKI-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@](O)(C[C@@H](C)CC(C)C)C1CC1 ZINC000301015721 571796054 /nfs/dbraw/zinc/79/60/54/571796054.db2.gz ZOIIMWBPDGKOBJ-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@](O)(C[C@H](C)CC(C)C)C1CC1 ZINC000301015723 571796619 /nfs/dbraw/zinc/79/66/19/571796619.db2.gz ZOIIMWBPDGKOBJ-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@](O)(C[C@@H](C)CC(C)C)C1CC1 ZINC000301015725 571795915 /nfs/dbraw/zinc/79/59/15/571795915.db2.gz ZOIIMWBPDGKOBJ-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@](O)(C[C@H](C)CC(C)C)C1CC1 ZINC000301015727 571796485 /nfs/dbraw/zinc/79/64/85/571796485.db2.gz ZOIIMWBPDGKOBJ-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)C(=O)C[C@H](C)CC(C)C ZINC000301016736 571788063 /nfs/dbraw/zinc/78/80/63/571788063.db2.gz ZSYZXKZLWOUGQB-GHMZBOCLSA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@H](C)C(=O)C[C@H](C)CC(C)C ZINC000301016738 571788131 /nfs/dbraw/zinc/78/81/31/571788131.db2.gz ZSYZXKZLWOUGQB-MNOVXSKESA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@H](C)C(=O)C[C@@H](C)CC(C)C ZINC000301016740 571788649 /nfs/dbraw/zinc/78/86/49/571788649.db2.gz ZSYZXKZLWOUGQB-QWRGUYRKSA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@@H](C)C(=O)C[C@@H](C)CC(C)C ZINC000301016741 571789512 /nfs/dbraw/zinc/78/95/12/571789512.db2.gz ZSYZXKZLWOUGQB-WDEREUQCSA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)C[C@H](C)CC1=C[C@@H](O)CCC1 ZINC000301016825 571788120 /nfs/dbraw/zinc/78/81/20/571788120.db2.gz ZUPAGPONHXQORN-AAEUAGOBSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@@H](C)CC1=C[C@H](O)CCC1 ZINC000301016827 571789503 /nfs/dbraw/zinc/78/95/03/571789503.db2.gz ZUPAGPONHXQORN-DGCLKSJQSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@H](C)CC1=C[C@H](O)CCC1 ZINC000301016828 571789793 /nfs/dbraw/zinc/78/97/93/571789793.db2.gz ZUPAGPONHXQORN-WCQYABFASA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@@H](C)CC1=C[C@@H](O)CCC1 ZINC000301016830 571787689 /nfs/dbraw/zinc/78/76/89/571787689.db2.gz ZUPAGPONHXQORN-YPMHNXCESA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@H](C)CCC(=O)C(C)C ZINC000301016839 571787869 /nfs/dbraw/zinc/78/78/69/571787869.db2.gz ZURJWFJBZVZGGB-LLVKDONJSA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)C[C@@H](C)CCC(=O)C(C)C ZINC000301016840 571789012 /nfs/dbraw/zinc/78/90/12/571789012.db2.gz ZURJWFJBZVZGGB-NSHDSACASA-N 0 0 184.323 3.674 10 0 AHAERN C/C(=C\Cl)C1CCCCC1 ZINC000306120589 166052045 /nfs/dbraw/zinc/05/20/45/166052045.db2.gz HRMOMPLPKGLEKM-BQYQJAHWSA-N 0 0 158.672 3.709 10 0 AHAERN CC1(C[C@]2(C)CCC(=O)C2)CCCC1 ZINC000306156764 351902088 /nfs/dbraw/zinc/90/20/88/351902088.db2.gz CJIRQLOVJQGWGQ-CYBMUJFWSA-N 0 0 194.318 3.716 10 0 AHAERN CC1(C[C@@]2(C)CCC(=O)C2)CCCC1 ZINC000306156765 351901858 /nfs/dbraw/zinc/90/18/58/351901858.db2.gz CJIRQLOVJQGWGQ-ZDUSSCGKSA-N 0 0 194.318 3.716 10 0 AHAERN Clc1cnccc1[C@@H]1C=CCCC1 ZINC000306161173 345051644 /nfs/dbraw/zinc/05/16/44/345051644.db2.gz RBEBMFSVECGZES-SECBINFHSA-N 0 0 193.677 3.559 10 0 AHAERN Clc1cnccc1[C@H]1C=CCCC1 ZINC000306161179 345051961 /nfs/dbraw/zinc/05/19/61/345051961.db2.gz RBEBMFSVECGZES-VIFPVBQESA-N 0 0 193.677 3.559 10 0 AHAERN C/C(=C\CC(C)C)c1sccc1N ZINC000306191704 345082003 /nfs/dbraw/zinc/08/20/03/345082003.db2.gz IFJGOIGEWNHGLS-WEVVVXLNSA-N 0 0 195.331 3.780 10 0 AHAERN CC1(CNc2ccsc2)CCCC1 ZINC000306195008 345084605 /nfs/dbraw/zinc/08/46/05/345084605.db2.gz XIQICCCHWGTQJW-UHFFFAOYSA-N 0 0 195.331 3.740 10 0 AHAERN C/C=C/c1ccc(NC(C)C)cc1 ZINC000306211491 345101065 /nfs/dbraw/zinc/10/10/65/345101065.db2.gz QCEGNBZXBWQEKM-SNAWJCMRSA-N 0 0 175.275 3.540 10 0 AHAERN CCc1scc(N)c1C1CCCC1 ZINC000306222341 345115378 /nfs/dbraw/zinc/11/53/78/345115378.db2.gz WGBHQLFLUMEUGS-UHFFFAOYSA-N 0 0 195.331 3.550 10 0 AHAERN CC[C@H](Nc1ccccc1)[C@H]1C[C@@H]1C ZINC000306236406 490117377 /nfs/dbraw/zinc/11/73/77/490117377.db2.gz KZOFBJNCBVKPDH-DRZSPHRISA-N 0 0 189.302 3.533 10 0 AHAERN CC[C@H](Nc1ccccc1)[C@@H]1C[C@H]1C ZINC000306236409 490117402 /nfs/dbraw/zinc/11/74/02/490117402.db2.gz KZOFBJNCBVKPDH-RTXFEEFZSA-N 0 0 189.302 3.533 10 0 AHAERN CC[C@H](Nc1ccccc1)[C@@H]1C[C@@H]1C ZINC000306236411 490117351 /nfs/dbraw/zinc/11/73/51/490117351.db2.gz KZOFBJNCBVKPDH-UHTWSYAYSA-N 0 0 189.302 3.533 10 0 AHAERN CC[C@H](Nc1ccccc1)[C@H]1C[C@H]1C ZINC000306236414 490117285 /nfs/dbraw/zinc/11/72/85/490117285.db2.gz KZOFBJNCBVKPDH-WXHSDQCUSA-N 0 0 189.302 3.533 10 0 AHAERN Oc1cc(C2=CCCC2)ccc1Cl ZINC000306257734 345148913 /nfs/dbraw/zinc/14/89/13/345148913.db2.gz QXLFNZLPOREMHL-UHFFFAOYSA-N 0 0 194.661 3.613 10 0 AHAERN CC(C)Nc1ccc(F)c(C2CC2)c1 ZINC000306297383 345178418 /nfs/dbraw/zinc/17/84/18/345178418.db2.gz CKMQNWIEQQGERL-UHFFFAOYSA-N 0 0 193.265 3.523 10 0 AHAERN C/C(=C\C(C)(C)C)c1sccc1N ZINC000306323664 345201796 /nfs/dbraw/zinc/20/17/96/345201796.db2.gz MSNAYMDZCZMBAK-BQYQJAHWSA-N 0 0 195.331 3.780 10 0 AHAERN CC[C@H](C)Nc1ccsc1Cl ZINC000306363338 345233179 /nfs/dbraw/zinc/23/31/79/345233179.db2.gz XPPBRGYUMAIWLL-LURJTMIESA-N 0 0 189.711 3.612 10 0 AHAERN CC[C@@H](C)Nc1ccsc1Cl ZINC000306363339 345233133 /nfs/dbraw/zinc/23/31/33/345233133.db2.gz XPPBRGYUMAIWLL-ZCFIWIBFSA-N 0 0 189.711 3.612 10 0 AHAERN CCNc1ccc(Cl)c2ccoc21 ZINC000306396018 345258370 /nfs/dbraw/zinc/25/83/70/345258370.db2.gz HTAHGLORWOZLKQ-UHFFFAOYSA-N 0 0 195.649 3.518 10 0 AHAERN CC[C@H](C)/C(C)=C/c1sccc1N ZINC000306397772 345259327 /nfs/dbraw/zinc/25/93/27/345259327.db2.gz XSDKCRDIBKBODC-INTFFVIUSA-N 0 0 195.331 3.780 10 0 AHAERN CC[C@@H](C)/C(C)=C/c1sccc1N ZINC000306397773 345259035 /nfs/dbraw/zinc/25/90/35/345259035.db2.gz XSDKCRDIBKBODC-KGOFQHAKSA-N 0 0 195.331 3.780 10 0 AHAERN Oc1ccc(C2=CCCC2)cc1Cl ZINC000306405772 345265513 /nfs/dbraw/zinc/26/55/13/345265513.db2.gz DPOQSOKHNDLNRI-UHFFFAOYSA-N 0 0 194.661 3.613 10 0 AHAERN CCC1CC(Nc2cscc2C)C1 ZINC000306409755 345269213 /nfs/dbraw/zinc/26/92/13/345269213.db2.gz ZEVXWTAFRPXCOB-UHFFFAOYSA-N 0 0 195.331 3.657 10 0 AHAERN CC(C)(C)SCC=C1CCC1 ZINC000306435297 345295951 /nfs/dbraw/zinc/29/59/51/345295951.db2.gz BIKYZUKXOAUBDP-UHFFFAOYSA-N 0 0 170.321 3.628 10 0 AHAERN Cc1cscc1NCCC(C)C ZINC000306446642 345306722 /nfs/dbraw/zinc/30/67/22/345306722.db2.gz BUXYBJNTSBCGAN-UHFFFAOYSA-N 0 0 183.320 3.515 10 0 AHAERN CCC1(C[C@H]2CCCCC2=O)CCC1 ZINC000306449893 345310138 /nfs/dbraw/zinc/31/01/38/345310138.db2.gz YNSQFJXVIPCKHU-LLVKDONJSA-N 0 0 194.318 3.716 10 0 AHAERN CCC1(C[C@@H]2CCCCC2=O)CCC1 ZINC000306449894 345310283 /nfs/dbraw/zinc/31/02/83/345310283.db2.gz YNSQFJXVIPCKHU-NSHDSACASA-N 0 0 194.318 3.716 10 0 AHAERN C[C@@H](O)[C@H](C)CC1CCC(C)(C)CC1 ZINC000306489939 345361836 /nfs/dbraw/zinc/36/18/36/345361836.db2.gz MGPLLMHZUASWGD-GHMZBOCLSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@H](CC1CCC(C)(C)CC1)[C@H](C)O ZINC000306489940 345361790 /nfs/dbraw/zinc/36/17/90/345361790.db2.gz MGPLLMHZUASWGD-MNOVXSKESA-N 0 0 198.350 3.610 10 0 AHAERN C[C@H](O)[C@@H](C)CC1CCC(C)(C)CC1 ZINC000306489941 345361981 /nfs/dbraw/zinc/36/19/81/345361981.db2.gz MGPLLMHZUASWGD-QWRGUYRKSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H](O)[C@@H](C)CC1CCC(C)(C)CC1 ZINC000306489943 345362134 /nfs/dbraw/zinc/36/21/34/345362134.db2.gz MGPLLMHZUASWGD-WDEREUQCSA-N 0 0 198.350 3.610 10 0 AHAERN CC1(C)CCC(CC2(O)CCC2)CC1 ZINC000306497387 345371599 /nfs/dbraw/zinc/37/15/99/345371599.db2.gz AVISNBGANMXLEF-UHFFFAOYSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@@H]1CCC[C@@H](CC(=O)C2(C)CC2)C1 ZINC000306497893 345372173 /nfs/dbraw/zinc/37/21/73/345372173.db2.gz CHMJUJYNZXBPFS-GHMZBOCLSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@@H]1CCC[C@H](CC(=O)C2(C)CC2)C1 ZINC000306497894 345372317 /nfs/dbraw/zinc/37/23/17/345372317.db2.gz CHMJUJYNZXBPFS-MNOVXSKESA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@H](CC(=O)C2(C)CC2)C1 ZINC000306497895 345372247 /nfs/dbraw/zinc/37/22/47/345372247.db2.gz CHMJUJYNZXBPFS-QWRGUYRKSA-N 0 0 194.318 3.572 10 0 AHAERN C[C@H]1CCC[C@@H](CC(=O)C2(C)CC2)C1 ZINC000306497896 345372236 /nfs/dbraw/zinc/37/22/36/345372236.db2.gz CHMJUJYNZXBPFS-WDEREUQCSA-N 0 0 194.318 3.572 10 0 AHAERN CCc1cc(Cl)c(Cl)cc1F ZINC000306514477 345385463 /nfs/dbraw/zinc/38/54/63/345385463.db2.gz ABYWBTSGDCZVTK-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN CCc1cc(F)cc(Cl)c1Cl ZINC000306515652 345386715 /nfs/dbraw/zinc/38/67/15/345386715.db2.gz FAZOYLJTNPLERY-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN C[C@H]1CC[C@H]1Nc1ccc(Cl)cc1 ZINC000306518034 345389432 /nfs/dbraw/zinc/38/94/32/345389432.db2.gz AQVGNMCLJOYXAW-GZMMTYOYSA-N 0 0 195.693 3.550 10 0 AHAERN C[C@@H]1CC[C@@H]1Nc1ccc(Cl)cc1 ZINC000306518037 345389173 /nfs/dbraw/zinc/38/91/73/345389173.db2.gz AQVGNMCLJOYXAW-KCJUWKMLSA-N 0 0 195.693 3.550 10 0 AHAERN C[C@H]1CC[C@@H]1Nc1ccc(Cl)cc1 ZINC000306518039 345389153 /nfs/dbraw/zinc/38/91/53/345389153.db2.gz AQVGNMCLJOYXAW-KWQFWETISA-N 0 0 195.693 3.550 10 0 AHAERN C[C@@H]1CC[C@H]1Nc1ccc(Cl)cc1 ZINC000306518041 345389441 /nfs/dbraw/zinc/38/94/41/345389441.db2.gz AQVGNMCLJOYXAW-LDYMZIIASA-N 0 0 195.693 3.550 10 0 AHAERN CCc1c(Cl)ccc(Cl)c1F ZINC000306518211 345389570 /nfs/dbraw/zinc/38/95/70/345389570.db2.gz GRIQLOLZMQKLMF-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN CCc1cc(Cl)cc(Cl)c1F ZINC000306520637 345392002 /nfs/dbraw/zinc/39/20/02/345392002.db2.gz KWMQTHCOXQOGEB-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN Cc1cccc(/C=C/C(F)(F)F)c1 ZINC000306525128 345397651 /nfs/dbraw/zinc/39/76/51/345397651.db2.gz AHCPXCXGCYANAX-AATRIKPKSA-N 0 0 186.176 3.571 10 0 AHAERN CC[C@@H]1CCC(=O)[C@@H]([C@H](C)C(C)C)C1 ZINC000306530000 345401522 /nfs/dbraw/zinc/40/15/22/345401522.db2.gz CRCXUCUBOJVHSC-IJLUTSLNSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H]1CCC(=O)[C@@H]([C@@H](C)C(C)C)C1 ZINC000306530006 345401361 /nfs/dbraw/zinc/40/13/61/345401361.db2.gz CRCXUCUBOJVHSC-QJPTWQEYSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H]1CCC(=O)[C@H]([C@@H](C)C(C)C)C1 ZINC000306530013 345401543 /nfs/dbraw/zinc/40/15/43/345401543.db2.gz CRCXUCUBOJVHSC-TUAOUCFPSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H]1CCC(=O)[C@H]([C@H](C)C(C)C)C1 ZINC000306530016 345401467 /nfs/dbraw/zinc/40/14/67/345401467.db2.gz CRCXUCUBOJVHSC-UTUOFQBUSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](C)[C@H](C)[C@@H]1C[C@@H](C)CCC1=O ZINC000306531286 345403279 /nfs/dbraw/zinc/40/32/79/345403279.db2.gz FMXGIEJOVUOJGJ-BJDJZHNGSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](C)[C@H](C)[C@H]1C[C@@H](C)CCC1=O ZINC000306531287 345403006 /nfs/dbraw/zinc/40/30/06/345403006.db2.gz FMXGIEJOVUOJGJ-FIQHERPVSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](C)[C@H](C)[C@H]1C[C@H](C)CCC1=O ZINC000306531288 345403285 /nfs/dbraw/zinc/40/32/85/345403285.db2.gz FMXGIEJOVUOJGJ-NOOOWODRSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@H](C)[C@H](C)[C@@H]1C[C@H](C)CCC1=O ZINC000306531289 345403048 /nfs/dbraw/zinc/40/30/48/345403048.db2.gz FMXGIEJOVUOJGJ-RHYQMDGZSA-N 0 0 196.334 3.674 10 0 AHAERN Cc1ccc(NCC=C2CCC2)cc1 ZINC000306533400 345405671 /nfs/dbraw/zinc/40/56/71/345405671.db2.gz HSXJBOXWQDHMAN-UHFFFAOYSA-N 0 0 187.286 3.517 10 0 AHAERN Cc1ccccc1NCC=C1CCC1 ZINC000306538945 345412729 /nfs/dbraw/zinc/41/27/29/345412729.db2.gz MSLOGKSDNICNIG-UHFFFAOYSA-N 0 0 187.286 3.517 10 0 AHAERN CC(C)[C@@H](C)C(=O)C1(C)CCCCC1 ZINC000306544160 345418073 /nfs/dbraw/zinc/41/80/73/345418073.db2.gz UNKLIXNBTZJMJJ-LLVKDONJSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)[C@H](C)C(=O)C1(C)CCCCC1 ZINC000306544161 345418241 /nfs/dbraw/zinc/41/82/41/345418241.db2.gz UNKLIXNBTZJMJJ-NSHDSACASA-N 0 0 196.334 3.818 10 0 AHAERN Cc1ncc(C2CCCCCC2)s1 ZINC000306557970 345433632 /nfs/dbraw/zinc/43/36/32/345433632.db2.gz OMZQMADEZQMJKZ-UHFFFAOYSA-N 0 0 195.331 3.889 10 0 AHAERN Cc1cc(Cl)c2c(c1)[C@H](C)CCN2 ZINC000306558017 345433523 /nfs/dbraw/zinc/43/35/23/345433523.db2.gz NWZLTROXSURMNM-MRVPVSSYSA-N 0 0 195.693 3.568 10 0 AHAERN Cc1cc(Cl)c2c(c1)[C@@H](C)CCN2 ZINC000306558018 345433457 /nfs/dbraw/zinc/43/34/57/345433457.db2.gz NWZLTROXSURMNM-QMMMGPOBSA-N 0 0 195.693 3.568 10 0 AHAERN c1nc(C2CC2)sc1C1CCCC1 ZINC000306561006 345437160 /nfs/dbraw/zinc/43/71/60/345437160.db2.gz SJLZMLQAKAFVRG-UHFFFAOYSA-N 0 0 193.315 3.678 10 0 AHAERN CCC(C)(C)CNc1cccc(F)c1 ZINC000306568475 345445362 /nfs/dbraw/zinc/44/53/62/345445362.db2.gz UUQKOIJVLJBBKZ-UHFFFAOYSA-N 0 0 195.281 3.674 10 0 AHAERN CSc1cc(C)c(Cl)c(F)c1 ZINC000306573456 345450650 /nfs/dbraw/zinc/45/06/50/345450650.db2.gz IEUSWYAOUZGSFW-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN C1=C(CC2=CCCCC2)CCC1 ZINC000306575872 345452815 /nfs/dbraw/zinc/45/28/15/345452815.db2.gz JYRLEBSQPZPRGL-UHFFFAOYSA-N 0 0 162.276 3.987 10 0 AHAERN Cc1c(Cl)c(F)ccc1C(F)F ZINC000306582238 345459177 /nfs/dbraw/zinc/45/91/77/345459177.db2.gz CECRZWPCTORLJJ-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Cc1coc2c1c(F)ccc2Cl ZINC000306582584 345459890 /nfs/dbraw/zinc/45/98/90/345459890.db2.gz CLBJBGWHIZXYBT-UHFFFAOYSA-N 0 0 184.597 3.534 10 0 AHAERN Cc1c(F)cc(Cl)cc1C(F)F ZINC000306582621 345459820 /nfs/dbraw/zinc/45/98/20/345459820.db2.gz CNIOGYZOUVPQDJ-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN CSc1ccc(Cl)c(C)c1F ZINC000306583470 345460539 /nfs/dbraw/zinc/46/05/39/345460539.db2.gz DCZATHWCHAERGA-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN C[C@@H](Nc1ccsc1)[C@H]1CC1(C)C ZINC000306586628 345463191 /nfs/dbraw/zinc/46/31/91/345463191.db2.gz UJGSPUFNFOPVPL-PSASIEDQSA-N 0 0 195.331 3.595 10 0 AHAERN C[C@@H](Nc1ccsc1)[C@@H]1CC1(C)C ZINC000306586629 345463212 /nfs/dbraw/zinc/46/32/12/345463212.db2.gz UJGSPUFNFOPVPL-SCZZXKLOSA-N 0 0 195.331 3.595 10 0 AHAERN C[C@H](Nc1ccsc1)[C@H]1CC1(C)C ZINC000306586630 345463161 /nfs/dbraw/zinc/46/31/61/345463161.db2.gz UJGSPUFNFOPVPL-WCBMZHEXSA-N 0 0 195.331 3.595 10 0 AHAERN C[C@H](Nc1ccsc1)[C@@H]1CC1(C)C ZINC000306586632 345463030 /nfs/dbraw/zinc/46/30/30/345463030.db2.gz UJGSPUFNFOPVPL-WPRPVWTQSA-N 0 0 195.331 3.595 10 0 AHAERN Cc1cc(F)c(C(F)F)cc1Cl ZINC000306593602 345470947 /nfs/dbraw/zinc/47/09/47/345470947.db2.gz DQUBRXRFFBAQCM-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN CSc1cc(Cl)cc(C)c1F ZINC000306598834 345475037 /nfs/dbraw/zinc/47/50/37/345475037.db2.gz GLHKSLGKQMGEBP-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN Cc1ccccc1/C=C/C(F)(F)F ZINC000306599947 345476326 /nfs/dbraw/zinc/47/63/26/345476326.db2.gz SMHUUDHHRCUNPD-VOTSOKGWSA-N 0 0 186.176 3.571 10 0 AHAERN CSc1cc(C)c(F)c(Cl)c1 ZINC000306601024 345476939 /nfs/dbraw/zinc/47/69/39/345476939.db2.gz JMZPFDKSSYBVKJ-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CSc1c(C)c(F)ccc1Cl ZINC000306601113 345477459 /nfs/dbraw/zinc/47/74/59/345477459.db2.gz JSPPMKOGNHEYSD-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CSc1cc(F)cc(C)c1Cl ZINC000306605420 345480760 /nfs/dbraw/zinc/48/07/60/345480760.db2.gz PQYUCBJUQICHKO-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN Cc1cc(Cl)cc(F)c1C(F)F ZINC000306606970 345481499 /nfs/dbraw/zinc/48/14/99/345481499.db2.gz SNWPTHIUELJTRW-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN CSc1cc(C)c(Cl)cc1F ZINC000306606979 345481559 /nfs/dbraw/zinc/48/15/59/345481559.db2.gz SOPJYLRHZRZQEE-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CSc1cc(Cl)c(C)cc1F ZINC000306609637 345484188 /nfs/dbraw/zinc/48/41/88/345484188.db2.gz YXFPUVHKZXPYEO-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CC(C)(C)CC1=CSC2=CCCN12 ZINC000306612195 345486041 /nfs/dbraw/zinc/48/60/41/345486041.db2.gz IBAHLQBDHHZYBN-UHFFFAOYSA-N 0 0 195.331 3.558 10 0 AHAERN CC(C)(C)C(C)(C)C(=O)C1CCCC1 ZINC000306613929 345487579 /nfs/dbraw/zinc/48/75/79/345487579.db2.gz LLJFIRXLQOWBTQ-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@@H](C)[C@@H]1CCCCCC1=O ZINC000306614742 345488311 /nfs/dbraw/zinc/48/83/11/345488311.db2.gz MDPKKOVMIPLRGP-NEPJUHHUSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@H](C)[C@H]1CCCCCC1=O ZINC000306614746 345488205 /nfs/dbraw/zinc/48/82/05/345488205.db2.gz MDPKKOVMIPLRGP-NWDGAFQWSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@H](C)[C@@H]1CCCCCC1=O ZINC000306614756 345488391 /nfs/dbraw/zinc/48/83/91/345488391.db2.gz MDPKKOVMIPLRGP-RYUDHWBXSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@@H](C)[C@H]1CCCCCC1=O ZINC000306614765 345488093 /nfs/dbraw/zinc/48/80/93/345488093.db2.gz MDPKKOVMIPLRGP-VXGBXAGGSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@](O)(C1=CCCCC1)C(C)(C)C ZINC000306629204 345499602 /nfs/dbraw/zinc/49/96/02/345499602.db2.gz JTPQQLHWFWOLDF-CYBMUJFWSA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@](O)(C1=CCCCC1)C(C)(C)C ZINC000306629205 345499675 /nfs/dbraw/zinc/49/96/75/345499675.db2.gz JTPQQLHWFWOLDF-ZDUSSCGKSA-N 0 0 196.334 3.674 10 0 AHAERN Cc1ccccc1N[C@@H]1CCC1(C)C ZINC000306634224 491054104 /nfs/dbraw/zinc/05/41/04/491054104.db2.gz VAPIJXFLVFDQRI-GFCCVEGCSA-N 0 0 189.302 3.596 10 0 AHAERN Cc1ccccc1N[C@H]1CCC1(C)C ZINC000306634225 491054136 /nfs/dbraw/zinc/05/41/36/491054136.db2.gz VAPIJXFLVFDQRI-LBPRGKRZSA-N 0 0 189.302 3.596 10 0 AHAERN Cc1ccc(F)c(C(F)F)c1Cl ZINC000306659471 345524530 /nfs/dbraw/zinc/52/45/30/345524530.db2.gz PCEZCIASQDPVAF-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Cc1cc(Cl)c(F)cc1C(F)F ZINC000306662872 345527041 /nfs/dbraw/zinc/52/70/41/345527041.db2.gz UTNMPKUXKZGULS-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN C/C=C(/C)CNc1ccc(Cl)cc1 ZINC000306665843 345528974 /nfs/dbraw/zinc/52/89/74/345528974.db2.gz UJYSQMHJNUJNQR-OQFOIZHKSA-N 0 0 195.693 3.718 10 0 AHAERN CCc1cc(Cl)c(F)cc1Cl ZINC000306672981 345534370 /nfs/dbraw/zinc/53/43/70/345534370.db2.gz BUAPXXNHOYOGQA-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN CSc1c(C)cc(Cl)cc1F ZINC000306702744 345557091 /nfs/dbraw/zinc/55/70/91/345557091.db2.gz MCKOLHNECULBBG-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CCNc1cccc([C@@H](C)SC)c1 ZINC000306709669 345562972 /nfs/dbraw/zinc/56/29/72/345562972.db2.gz QAYXUMLMTKSSJV-SECBINFHSA-N 0 0 195.331 3.542 10 0 AHAERN CCNc1cccc([C@H](C)SC)c1 ZINC000306709670 345563063 /nfs/dbraw/zinc/56/30/63/345563063.db2.gz QAYXUMLMTKSSJV-VIFPVBQESA-N 0 0 195.331 3.542 10 0 AHAERN CC(C)Nc1ccc(C(C)C)c(F)c1 ZINC000306711011 345564283 /nfs/dbraw/zinc/56/42/83/345564283.db2.gz XAAFMXRZPIWGBT-UHFFFAOYSA-N 0 0 195.281 3.769 10 0 AHAERN Cc1cc(C(F)F)cc(F)c1Cl ZINC000306717044 345568588 /nfs/dbraw/zinc/56/85/88/345568588.db2.gz GYMNMKCHASCEES-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN CCC1(C[C@H]2CCCC[C@@H]2O)CCC1 ZINC000306722567 345573310 /nfs/dbraw/zinc/57/33/10/345573310.db2.gz FTXPEOGLTSIRPK-NEPJUHHUSA-N 0 0 196.334 3.508 10 0 AHAERN CCC1(C[C@@H]2CCCC[C@H]2O)CCC1 ZINC000306722568 345573334 /nfs/dbraw/zinc/57/33/34/345573334.db2.gz FTXPEOGLTSIRPK-NWDGAFQWSA-N 0 0 196.334 3.508 10 0 AHAERN CCC1(C[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000306722569 345573274 /nfs/dbraw/zinc/57/32/74/345573274.db2.gz FTXPEOGLTSIRPK-RYUDHWBXSA-N 0 0 196.334 3.508 10 0 AHAERN CCC1(C[C@H]2CCCC[C@H]2O)CCC1 ZINC000306722570 345573165 /nfs/dbraw/zinc/57/31/65/345573165.db2.gz FTXPEOGLTSIRPK-VXGBXAGGSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)[C@H]1C[C@@H](C)c2c1cccc2N ZINC000306723074 345573348 /nfs/dbraw/zinc/57/33/48/345573348.db2.gz QXPSSPAVJNDKFL-MWLCHTKSSA-N 0 0 189.302 3.516 10 0 AHAERN Cc1nc(C2CC2)c(CC(C)C)s1 ZINC000306724798 345575509 /nfs/dbraw/zinc/57/55/09/345575509.db2.gz JHIROLVOQFKZCP-UHFFFAOYSA-N 0 0 195.331 3.527 10 0 AHAERN Cc1c(Cl)ccc(F)c1C(F)F ZINC000306725276 345575884 /nfs/dbraw/zinc/57/58/84/345575884.db2.gz WRSBLJYYCJVTQN-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Cc1cccc(NC[C@@H](C)C(C)C)c1 ZINC000306729230 345578801 /nfs/dbraw/zinc/57/88/01/345578801.db2.gz OHTIJGYEJFYOOI-GFCCVEGCSA-N 0 0 191.318 3.699 10 0 AHAERN Cc1cccc(NC[C@H](C)C(C)C)c1 ZINC000306729231 345578370 /nfs/dbraw/zinc/57/83/70/345578370.db2.gz OHTIJGYEJFYOOI-LBPRGKRZSA-N 0 0 191.318 3.699 10 0 AHAERN Cc1ccc(C2=CCCCC2)cc1N ZINC000306730068 345579311 /nfs/dbraw/zinc/57/93/11/345579311.db2.gz PCJZCRILNYZDCB-UHFFFAOYSA-N 0 0 187.286 3.535 10 0 AHAERN Cc1ccc(N)cc1C1=CCCCC1 ZINC000306731194 345579486 /nfs/dbraw/zinc/57/94/86/345579486.db2.gz QOEXIEZAUFGCFW-UHFFFAOYSA-N 0 0 187.286 3.535 10 0 AHAERN CC(C)[C@@H](C)CNc1ccccc1F ZINC000306733609 345581371 /nfs/dbraw/zinc/58/13/71/345581371.db2.gz TTZPGOGGDPSMPD-JTQLQIEISA-N 0 0 195.281 3.530 10 0 AHAERN CC(C)[C@H](C)CNc1ccccc1F ZINC000306733610 345581945 /nfs/dbraw/zinc/58/19/45/345581945.db2.gz TTZPGOGGDPSMPD-SNVBAGLBSA-N 0 0 195.281 3.530 10 0 AHAERN Cc1ccccc1NC[C@@H](C)C(C)C ZINC000306737592 345584321 /nfs/dbraw/zinc/58/43/21/345584321.db2.gz ZEMXQAFFCOPMCP-GFCCVEGCSA-N 0 0 191.318 3.699 10 0 AHAERN Cc1ccccc1NC[C@H](C)C(C)C ZINC000306737599 345584262 /nfs/dbraw/zinc/58/42/62/345584262.db2.gz ZEMXQAFFCOPMCP-LBPRGKRZSA-N 0 0 191.318 3.699 10 0 AHAERN Cc1c(F)ccc(Cl)c1C(F)F ZINC000306741559 345586262 /nfs/dbraw/zinc/58/62/62/345586262.db2.gz DRQBBGMSVMLUDV-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Cc1csc2cc(C)c(Cl)nc12 ZINC000306755246 345593246 /nfs/dbraw/zinc/59/32/46/345593246.db2.gz QGDMHIPZHPVHKJ-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN CCCC(=O)c1c(C)cccc1Cl ZINC000306767197 345601721 /nfs/dbraw/zinc/60/17/21/345601721.db2.gz XSNSSSRWUVCNIU-UHFFFAOYSA-N 0 0 196.677 3.631 10 0 AHAERN CC/C(=C/C(C)C)c1sccc1N ZINC000306781302 345610250 /nfs/dbraw/zinc/61/02/50/345610250.db2.gz JKVNCGFHNRESQP-CLFYSBASSA-N 0 0 195.331 3.780 10 0 AHAERN CC1(C)CC(O)(C2CCCCCC2)C1 ZINC000306784950 345612615 /nfs/dbraw/zinc/61/26/15/345612615.db2.gz MXPOOPAPDVKKPP-UHFFFAOYSA-N 0 0 196.334 3.508 10 0 AHAERN O=C1CCC[C@@H]1CCC1=CCCCC1 ZINC000306806091 345626137 /nfs/dbraw/zinc/62/61/37/345626137.db2.gz IPHYHZOLSVLZGH-GFCCVEGCSA-N 0 0 192.302 3.636 10 0 AHAERN O=C1CCC[C@H]1CCC1=CCCCC1 ZINC000306806092 345626200 /nfs/dbraw/zinc/62/62/00/345626200.db2.gz IPHYHZOLSVLZGH-LBPRGKRZSA-N 0 0 192.302 3.636 10 0 AHAERN CC(C)C[C@H](C)C1(O)CCC(C)CC1 ZINC000306818227 345634084 /nfs/dbraw/zinc/63/40/84/345634084.db2.gz FGEOESLPYKPOCJ-CPCZMJQVSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)C1(O)CCC(C)CC1 ZINC000306818242 345634040 /nfs/dbraw/zinc/63/40/40/345634040.db2.gz FGEOESLPYKPOCJ-OTTFEQOBSA-N 0 0 198.350 3.610 10 0 AHAERN Cc1ccc(C(F)F)c(F)c1Cl ZINC000306849601 345656183 /nfs/dbraw/zinc/65/61/83/345656183.db2.gz NLBITGGMPFGKNR-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN CSc1cc(C)c(F)cc1Cl ZINC000306854528 345659283 /nfs/dbraw/zinc/65/92/83/345659283.db2.gz ARAOXZMYBRUJSN-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CC[C@@H](C)n1ccc2cc(F)ccc21 ZINC000306855434 345659825 /nfs/dbraw/zinc/65/98/25/345659825.db2.gz VWRKLUBKHCJEII-SECBINFHSA-N 0 0 191.249 3.751 10 0 AHAERN CC[C@H](C)n1ccc2cc(F)ccc21 ZINC000306855435 345659564 /nfs/dbraw/zinc/65/95/64/345659564.db2.gz VWRKLUBKHCJEII-VIFPVBQESA-N 0 0 191.249 3.751 10 0 AHAERN CC(C)c1nc2c(s1)CCCCC2 ZINC000306865530 345667461 /nfs/dbraw/zinc/66/74/61/345667461.db2.gz MCROZEHUQHRCSE-UHFFFAOYSA-N 0 0 195.331 3.535 10 0 AHAERN CC/C(C)=C(\C)c1sccc1N ZINC000306891116 345687641 /nfs/dbraw/zinc/68/76/41/345687641.db2.gz ZVLZSSKRORNMDA-BQYQJAHWSA-N 0 0 181.304 3.534 10 0 AHAERN Fc1ccc(Cl)c(C(F)F)c1F ZINC000306911596 345695573 /nfs/dbraw/zinc/69/55/73/345695573.db2.gz QVHJZJPJAGGRAP-UHFFFAOYSA-N 0 0 198.546 3.556 10 0 AHAERN CSc1cc(F)c(C)cc1Cl ZINC000306913504 345695963 /nfs/dbraw/zinc/69/59/63/345695963.db2.gz PICPEEZYZPZVFX-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CSc1cc(F)c(C)c(Cl)c1 ZINC000306920629 345699385 /nfs/dbraw/zinc/69/93/85/345699385.db2.gz NCILKXWTOSUMGW-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CSc1cc(C)cc(Cl)c1F ZINC000306937592 345708047 /nfs/dbraw/zinc/70/80/47/345708047.db2.gz LMSJRHDERQCIPR-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN Cc1ccc(F)c(Cl)c1C(F)F ZINC000306939882 345709035 /nfs/dbraw/zinc/70/90/35/345709035.db2.gz ONRUUZLOVNAXPX-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN CSc1ccc(Cl)c(F)c1C ZINC000306941338 345710107 /nfs/dbraw/zinc/71/01/07/345710107.db2.gz QPUYGWAVVSURRR-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN Cc1cscc1N[C@H]1C=CCCC1 ZINC000306948314 345713719 /nfs/dbraw/zinc/71/37/19/345713719.db2.gz SHVCUACBAVHNPK-JTQLQIEISA-N 0 0 193.315 3.577 10 0 AHAERN Cc1cscc1N[C@@H]1C=CCCC1 ZINC000306948315 345713975 /nfs/dbraw/zinc/71/39/75/345713975.db2.gz SHVCUACBAVHNPK-SNVBAGLBSA-N 0 0 193.315 3.577 10 0 AHAERN Cc1cc(F)c(Cl)c(C(F)F)c1 ZINC000306964801 345723038 /nfs/dbraw/zinc/72/30/38/345723038.db2.gz DQRLQVWQFLZGGO-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Cc1cc(F)cc(Cl)c1C(F)F ZINC000306974269 345727681 /nfs/dbraw/zinc/72/76/81/345727681.db2.gz MCGUDECKUCNDTD-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Cc1ccc(Cl)c2c1[C@H](C)CCN2 ZINC000306975650 345728875 /nfs/dbraw/zinc/72/88/75/345728875.db2.gz ZWOYIBQBFHEBFT-MRVPVSSYSA-N 0 0 195.693 3.568 10 0 AHAERN Cc1ccc(Cl)c2c1[C@@H](C)CCN2 ZINC000306975651 345728907 /nfs/dbraw/zinc/72/89/07/345728907.db2.gz ZWOYIBQBFHEBFT-QMMMGPOBSA-N 0 0 195.693 3.568 10 0 AHAERN CSc1ccc(C)c(F)c1Cl ZINC000306982214 345733112 /nfs/dbraw/zinc/73/31/12/345733112.db2.gz RFKSYZPQAJAQNS-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN Cc1cc(F)c(C(F)F)c(Cl)c1 ZINC000306985542 345734684 /nfs/dbraw/zinc/73/46/84/345734684.db2.gz WLONEIAMTFASOL-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN CCc1cc(Cl)cc(F)c1Cl ZINC000306987138 345735787 /nfs/dbraw/zinc/73/57/87/345735787.db2.gz YIDWIGMGEACZBJ-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN CC/C(=C\C1CCC(C)(C)CC1)CO ZINC000306997481 345741669 /nfs/dbraw/zinc/74/16/69/345741669.db2.gz WJDASFFFRPYTIA-PKNBQFBNSA-N 0 0 196.334 3.532 10 0 AHAERN Nc1csc(C2CCCCCC2)c1 ZINC000306998262 345742126 /nfs/dbraw/zinc/74/21/26/345742126.db2.gz BKHGYTUJQUVVPJ-UHFFFAOYSA-N 0 0 195.331 3.768 10 0 AHAERN Cc1c(F)c(Cl)ccc1C(F)F ZINC000307006240 345747286 /nfs/dbraw/zinc/74/72/86/345747286.db2.gz KWZXMSGYNJEIGQ-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Cc1cscc1NCC1(C)CCC1 ZINC000307008377 345749054 /nfs/dbraw/zinc/74/90/54/345749054.db2.gz HHMTUBYPPLWXDV-UHFFFAOYSA-N 0 0 195.331 3.659 10 0 AHAERN CSc1c(C)c(C)cc(C)c1C ZINC000307011060 345751316 /nfs/dbraw/zinc/75/13/16/345751316.db2.gz JRZGPBUZESKBOV-UHFFFAOYSA-N 0 0 180.316 3.642 10 0 AHAERN Cc1cc(C(F)F)cc(Cl)c1F ZINC000307012018 345751647 /nfs/dbraw/zinc/75/16/47/345751647.db2.gz PKQLXAUWZMZDES-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Cc1cc(C(F)F)c(Cl)cc1F ZINC000307021885 345758651 /nfs/dbraw/zinc/75/86/51/345758651.db2.gz CLYVTNZUVGRWTJ-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN CCC(CC)C1C[C@@H](C)O[C@H](C)C1 ZINC000307024605 345760984 /nfs/dbraw/zinc/76/09/84/345760984.db2.gz WKBSPUGEXODYFG-NXEZZACHSA-N 0 0 184.323 3.626 10 0 AHAERN CCC(CC)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000307024606 345760972 /nfs/dbraw/zinc/76/09/72/345760972.db2.gz WKBSPUGEXODYFG-PEGIJTEDSA-N 0 0 184.323 3.626 10 0 AHAERN CCC(CC)C1C[C@H](C)O[C@@H](C)C1 ZINC000307024607 345760990 /nfs/dbraw/zinc/76/09/90/345760990.db2.gz WKBSPUGEXODYFG-UWVGGRQHSA-N 0 0 184.323 3.626 10 0 AHAERN CCc1c(F)cc(Cl)cc1Cl ZINC000307026143 345763146 /nfs/dbraw/zinc/76/31/46/345763146.db2.gz IYHQENZDAWKCGB-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN Cc1cscc1NCC(C)(C)C ZINC000307036611 345769578 /nfs/dbraw/zinc/76/95/78/345769578.db2.gz OIOJZNIXNORDDX-UHFFFAOYSA-N 0 0 183.320 3.515 10 0 AHAERN CC(C)c1nc2c(s1)CCC[C@H]2C ZINC000307048239 371771455 /nfs/dbraw/zinc/77/14/55/371771455.db2.gz JKXGFPAOAMVTPF-MRVPVSSYSA-N 0 0 195.331 3.706 10 0 AHAERN CC(C)c1nc2c(s1)CCC[C@@H]2C ZINC000307048241 371771395 /nfs/dbraw/zinc/77/13/95/371771395.db2.gz JKXGFPAOAMVTPF-QMMMGPOBSA-N 0 0 195.331 3.706 10 0 AHAERN CSc1cc(F)c(Cl)cc1C ZINC000307056322 345782568 /nfs/dbraw/zinc/78/25/68/345782568.db2.gz VDEYHPANRAECHP-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CCc1c(C)ccc(Cl)c1Cl ZINC000307057183 345783295 /nfs/dbraw/zinc/78/32/95/345783295.db2.gz XKMQUQQTUUGVGM-UHFFFAOYSA-N 0 0 189.085 3.864 10 0 AHAERN CC(C)[C@@H](C)C(=O)C1C(C)(C)C1(C)C ZINC000307060962 345786320 /nfs/dbraw/zinc/78/63/20/345786320.db2.gz KFOXICQRTYZVOV-SECBINFHSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@H](C)C(=O)C1C(C)(C)C1(C)C ZINC000307060963 345786637 /nfs/dbraw/zinc/78/66/37/345786637.db2.gz KFOXICQRTYZVOV-VIFPVBQESA-N 0 0 196.334 3.530 10 0 AHAERN CCc1cc(Cl)cc(Cl)c1C ZINC000307062789 345787878 /nfs/dbraw/zinc/78/78/78/345787878.db2.gz OJJFFIWSFDBRTG-UHFFFAOYSA-N 0 0 189.085 3.864 10 0 AHAERN Cc1cc(F)c(Cl)cc1C(F)F ZINC000307070363 345792172 /nfs/dbraw/zinc/79/21/72/345792172.db2.gz FAZSJTCLGMYCPP-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN S=c1cc[nH]c(C2=CCCCC2)c1 ZINC000307071191 345792722 /nfs/dbraw/zinc/79/27/22/345792722.db2.gz WOZFDNQCNKNYDQ-UHFFFAOYSA-N 0 0 191.299 3.702 10 0 AHAERN CC1CCC(CC(=O)C2(C)CC2)CC1 ZINC000307074165 345794406 /nfs/dbraw/zinc/79/44/06/345794406.db2.gz AQMTWFNLXPVPTJ-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN CSc1cc(Cl)cc(F)c1C ZINC000307092659 345805936 /nfs/dbraw/zinc/80/59/36/345805936.db2.gz ZFDOTOALHQJZFJ-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CCc1cc(Cl)c(F)c(Cl)c1 ZINC000307097589 345808039 /nfs/dbraw/zinc/80/80/39/345808039.db2.gz FOGVGYCYQQTCMP-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN CC[C@H](C)[C@H](C)[C@]1(O)CCC[C@H](C)C1 ZINC000307114790 345818018 /nfs/dbraw/zinc/81/80/18/345818018.db2.gz UNJPPAHBROOYGQ-CYDGBPFRSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@H](C)[C@@]1(O)CCC[C@@H](C)C1 ZINC000307114792 345818098 /nfs/dbraw/zinc/81/80/98/345818098.db2.gz UNJPPAHBROOYGQ-MROQNXINSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@H](C)[C@]1(O)CCC[C@@H](C)C1 ZINC000307114793 345818172 /nfs/dbraw/zinc/81/81/72/345818172.db2.gz UNJPPAHBROOYGQ-VOAKCMCISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@H](C)[C@@]1(O)CCC[C@H](C)C1 ZINC000307114794 345817851 /nfs/dbraw/zinc/81/78/51/345817851.db2.gz UNJPPAHBROOYGQ-ZDEQEGDKSA-N 0 0 198.350 3.610 10 0 AHAERN CSc1cc(Cl)c(F)cc1C ZINC000307115806 345818504 /nfs/dbraw/zinc/81/85/04/345818504.db2.gz WPUZWYWAGXGDPC-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CCc1nc2c(s1)CCC[C@H]2CC ZINC000307118129 345819609 /nfs/dbraw/zinc/81/96/09/345819609.db2.gz WBOGHPGHCWVMTL-MRVPVSSYSA-N 0 0 195.331 3.535 10 0 AHAERN CCc1nc2c(s1)CCC[C@@H]2CC ZINC000307118131 345819552 /nfs/dbraw/zinc/81/95/52/345819552.db2.gz WBOGHPGHCWVMTL-QMMMGPOBSA-N 0 0 195.331 3.535 10 0 AHAERN CSc1c(F)ccc(C)c1Cl ZINC000307131508 345827847 /nfs/dbraw/zinc/82/78/47/345827847.db2.gz TWWQRODYCWMPMD-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN Cc1ccc(C)n1C(C)(C)C(C)(C)C ZINC000307136035 345831520 /nfs/dbraw/zinc/83/15/20/345831520.db2.gz SQAPKZUBBJFYGD-UHFFFAOYSA-N 0 0 193.334 3.886 10 0 AHAERN Cc1c(F)ccc(C(F)F)c1Cl ZINC000307162118 345854007 /nfs/dbraw/zinc/85/40/07/345854007.db2.gz LCJUIARMURICSK-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Fc1cc(Cl)cc(C(F)F)c1F ZINC000307168113 345860688 /nfs/dbraw/zinc/86/06/88/345860688.db2.gz UGNDPLJNLXAPOW-UHFFFAOYSA-N 0 0 198.546 3.556 10 0 AHAERN Cc1scc(C(=O)C(C)(C)C)c1C ZINC000307174788 345866119 /nfs/dbraw/zinc/86/61/19/345866119.db2.gz FEUIOUYTLJKQCX-UHFFFAOYSA-N 0 0 196.315 3.594 10 0 AHAERN CSc1ccc(F)c(C)c1Cl ZINC000307183420 345871944 /nfs/dbraw/zinc/87/19/44/345871944.db2.gz XZJBBLSLKQWZOT-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN Cc1cscc1N[C@H](C)C1CCC1 ZINC000307196805 345882266 /nfs/dbraw/zinc/88/22/66/345882266.db2.gz UKUJDGFJHGCFAQ-SECBINFHSA-N 0 0 195.331 3.657 10 0 AHAERN Cc1cscc1N[C@@H](C)C1CCC1 ZINC000307196806 345882492 /nfs/dbraw/zinc/88/24/92/345882492.db2.gz UKUJDGFJHGCFAQ-VIFPVBQESA-N 0 0 195.331 3.657 10 0 AHAERN CCc1cc(F)c(Cl)c(Cl)c1 ZINC000307204938 345889120 /nfs/dbraw/zinc/88/91/20/345889120.db2.gz GTZKCTPTGJMUAZ-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN CCN(c1ccc(Cl)cc1)C(C)C ZINC000307206920 345890274 /nfs/dbraw/zinc/89/02/74/345890274.db2.gz MAWRUBGWQAKDBA-UHFFFAOYSA-N 0 0 197.709 3.575 10 0 AHAERN CCCNc1cccc2ccsc21 ZINC000307229386 345906365 /nfs/dbraw/zinc/90/63/65/345906365.db2.gz ZOVLDXNCKJNDKN-UHFFFAOYSA-N 0 0 191.299 3.723 10 0 AHAERN C[C@H](CC(C)(C)C)Nc1ccsc1 ZINC000307231709 345908239 /nfs/dbraw/zinc/90/82/39/345908239.db2.gz DHJQPEJZZRLXTH-SECBINFHSA-N 0 0 197.347 3.985 10 0 AHAERN C[C@@H](CC(C)(C)C)Nc1ccsc1 ZINC000307231723 345908915 /nfs/dbraw/zinc/90/89/15/345908915.db2.gz DHJQPEJZZRLXTH-VIFPVBQESA-N 0 0 197.347 3.985 10 0 AHAERN Cc1ccc(Cl)c(F)c1C(F)F ZINC000307261442 345931947 /nfs/dbraw/zinc/93/19/47/345931947.db2.gz VFNHDQKWXDLQOI-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Cc1cc(Cl)cc(C(F)F)c1F ZINC000307272280 345939087 /nfs/dbraw/zinc/93/90/87/345939087.db2.gz FADCGEBEKZDGGV-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN CSc1c(C)cc(F)cc1Cl ZINC000307273866 345940489 /nfs/dbraw/zinc/94/04/89/345940489.db2.gz XOTDSQBMUMFICD-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN Cc1cc(C(F)F)c(F)cc1Cl ZINC000307274165 345940540 /nfs/dbraw/zinc/94/05/40/345940540.db2.gz MHNZLDHPKKSMMO-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Cc1c(F)c(C(F)F)ccc1Cl ZINC000307274975 345940862 /nfs/dbraw/zinc/94/08/62/345940862.db2.gz PIIMNFKDNRDBDJ-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Cc1cscc1NCCC(C)(C)C ZINC000307286664 491060349 /nfs/dbraw/zinc/06/03/49/491060349.db2.gz RTMXBDQGDQIODY-UHFFFAOYSA-N 0 0 197.347 3.905 10 0 AHAERN CCc1ccc(F)c(Cl)c1Cl ZINC000307294819 345952275 /nfs/dbraw/zinc/95/22/75/345952275.db2.gz OEOJIWSEPCYRFB-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN CSc1cc(C)cc(F)c1Cl ZINC000307301147 345955867 /nfs/dbraw/zinc/95/58/67/345955867.db2.gz JWWRTJVEEPPYPB-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CC(C)(C)C(C)(C)[C@H](O)C1=CCCC1 ZINC000307316001 345966097 /nfs/dbraw/zinc/96/60/97/345966097.db2.gz ZVJJJPQYGNIZSV-LLVKDONJSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)(C)C(C)(C)[C@@H](O)C1=CCCC1 ZINC000307316002 345966072 /nfs/dbraw/zinc/96/60/72/345966072.db2.gz ZVJJJPQYGNIZSV-NSHDSACASA-N 0 0 196.334 3.530 10 0 AHAERN Cc1cscc1N[C@H](C)C1(C)CC1 ZINC000307360897 345994777 /nfs/dbraw/zinc/99/47/77/345994777.db2.gz GSXBRXGQUPDLKE-SECBINFHSA-N 0 0 195.331 3.657 10 0 AHAERN Cc1cscc1N[C@@H](C)C1(C)CC1 ZINC000307360898 345994436 /nfs/dbraw/zinc/99/44/36/345994436.db2.gz GSXBRXGQUPDLKE-VIFPVBQESA-N 0 0 195.331 3.657 10 0 AHAERN CC(C)Sc1cc2ccccc2[nH]1 ZINC000307368831 345999135 /nfs/dbraw/zinc/99/91/35/345999135.db2.gz OARXXXSCRIXJDU-UHFFFAOYSA-N 0 0 191.299 3.668 10 0 AHAERN Cc1ccc(C(F)F)c(Cl)c1F ZINC000307380516 346006035 /nfs/dbraw/zinc/00/60/35/346006035.db2.gz FPPMLMPNJLVKQH-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN CSc1c(C)ccc(F)c1Cl ZINC000307384399 346007925 /nfs/dbraw/zinc/00/79/25/346007925.db2.gz JLXUOQOBQQTDSX-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CC/C(=C/C1(C)CCCCCC1)CO ZINC000307388452 346010852 /nfs/dbraw/zinc/01/08/52/346010852.db2.gz OEDMNISNSIOJBS-BENRWUELSA-N 0 0 196.334 3.676 10 0 AHAERN Cc1cc(Cl)c(C(F)F)cc1F ZINC000307391813 346013060 /nfs/dbraw/zinc/01/30/60/346013060.db2.gz XEWPIBUQRWXRNY-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN Cc1c(Cl)cc(F)cc1C(F)F ZINC000307394724 346014558 /nfs/dbraw/zinc/01/45/58/346014558.db2.gz FJPMEHFHYYZQOW-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN CC1CCC(C[C@H]2CCCC2=O)CC1 ZINC000307413616 346028018 /nfs/dbraw/zinc/02/80/18/346028018.db2.gz HKKMWYFYPKQXOE-HTAVTVPLSA-N 0 0 194.318 3.572 10 0 AHAERN CC1CCC(C[C@@H]2CCCC2=O)CC1 ZINC000307413625 346028277 /nfs/dbraw/zinc/02/82/77/346028277.db2.gz HKKMWYFYPKQXOE-MCIGGMRASA-N 0 0 194.318 3.572 10 0 AHAERN CCc1cc(C)cc(Cl)c1Cl ZINC000307434863 346038591 /nfs/dbraw/zinc/03/85/91/346038591.db2.gz PMMLDJNTTICASM-UHFFFAOYSA-N 0 0 189.085 3.864 10 0 AHAERN S=c1cccc(C2=CCCCC2)[nH]1 ZINC000307436576 346039235 /nfs/dbraw/zinc/03/92/35/346039235.db2.gz UDCFEXHVPATCPY-UHFFFAOYSA-N 0 0 191.299 3.702 10 0 AHAERN CCC1([C@H](O)C2CCCCCC2)CC1 ZINC000307439942 346041494 /nfs/dbraw/zinc/04/14/94/346041494.db2.gz XLADUMUMNSAPOK-GFCCVEGCSA-N 0 0 196.334 3.508 10 0 AHAERN CCC1([C@@H](O)C2CCCCCC2)CC1 ZINC000307439945 346041335 /nfs/dbraw/zinc/04/13/35/346041335.db2.gz XLADUMUMNSAPOK-LBPRGKRZSA-N 0 0 196.334 3.508 10 0 AHAERN Cc1c(F)cc(C(F)F)cc1Cl ZINC000307443889 346043973 /nfs/dbraw/zinc/04/39/73/346043973.db2.gz CMNVFXNWLQZLBR-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN CC(C)CCc1ccc(N)cc1Cl ZINC000307445785 346044919 /nfs/dbraw/zinc/04/49/19/346044919.db2.gz CTLDYPCKWNIUDS-UHFFFAOYSA-N 0 0 197.709 3.511 10 0 AHAERN CSc1ccc(C)c(Cl)c1F ZINC000307452909 346049428 /nfs/dbraw/zinc/04/94/28/346049428.db2.gz YJBBZMQZZWBLAZ-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CC1(C[C@@H]2CCC[C@H](O)C2)CCCC1 ZINC000307496896 346074974 /nfs/dbraw/zinc/07/49/74/346074974.db2.gz KGGBRTJOVPYOQG-NEPJUHHUSA-N 0 0 196.334 3.508 10 0 AHAERN CC1(C[C@H]2CCC[C@@H](O)C2)CCCC1 ZINC000307496906 346074916 /nfs/dbraw/zinc/07/49/16/346074916.db2.gz KGGBRTJOVPYOQG-NWDGAFQWSA-N 0 0 196.334 3.508 10 0 AHAERN CC1(C[C@H]2CCC[C@H](O)C2)CCCC1 ZINC000307496913 346075074 /nfs/dbraw/zinc/07/50/74/346075074.db2.gz KGGBRTJOVPYOQG-RYUDHWBXSA-N 0 0 196.334 3.508 10 0 AHAERN CC1(C[C@@H]2CCC[C@@H](O)C2)CCCC1 ZINC000307496922 346075046 /nfs/dbraw/zinc/07/50/46/346075046.db2.gz KGGBRTJOVPYOQG-VXGBXAGGSA-N 0 0 196.334 3.508 10 0 AHAERN Cc1ccc2c(c1Cl)NCC[C@H]2C ZINC000307500148 346076824 /nfs/dbraw/zinc/07/68/24/346076824.db2.gz MIOKDVGGRQGDMB-SSDOTTSWSA-N 0 0 195.693 3.568 10 0 AHAERN Cc1ccc2c(c1Cl)NCC[C@@H]2C ZINC000307500156 346077066 /nfs/dbraw/zinc/07/70/66/346077066.db2.gz MIOKDVGGRQGDMB-ZETCQYMHSA-N 0 0 195.693 3.568 10 0 AHAERN CCc1cc(Cl)cc(C)c1Cl ZINC000307500494 346076982 /nfs/dbraw/zinc/07/69/82/346076982.db2.gz SRVJJKMWZFWKJB-UHFFFAOYSA-N 0 0 189.085 3.864 10 0 AHAERN C[C@H](CNc1ccccc1)C1CCC1 ZINC000307503365 346078354 /nfs/dbraw/zinc/07/83/54/346078354.db2.gz OGEGHSOAZWBOKM-LLVKDONJSA-N 0 0 189.302 3.535 10 0 AHAERN C[C@@H](CNc1ccccc1)C1CCC1 ZINC000307503367 346078331 /nfs/dbraw/zinc/07/83/31/346078331.db2.gz OGEGHSOAZWBOKM-NSHDSACASA-N 0 0 189.302 3.535 10 0 AHAERN Cc1cscc1NCC1=CCCC1 ZINC000307503401 346078267 /nfs/dbraw/zinc/07/82/67/346078267.db2.gz OJDKLJFIAPLKKG-UHFFFAOYSA-N 0 0 193.315 3.579 10 0 AHAERN CCc1ccc(Cl)c(Cl)c1F ZINC000307505440 346079376 /nfs/dbraw/zinc/07/93/76/346079376.db2.gz ZTEVWDIUSGCDHE-UHFFFAOYSA-N 0 0 193.048 3.695 10 0 AHAERN CCC/C=C(\C)c1sccc1N ZINC000307509090 346081940 /nfs/dbraw/zinc/08/19/40/346081940.db2.gz CAQRVPWWNBZQDC-VMPITWQZSA-N 0 0 181.304 3.534 10 0 AHAERN Cc1ccc(C)n1CC1=CCCCC1 ZINC000307533880 346096465 /nfs/dbraw/zinc/09/64/65/346096465.db2.gz NVIGIRRJEMSNSH-UHFFFAOYSA-N 0 0 189.302 3.605 10 0 AHAERN CC(C)C(Nc1ccsc1)C(C)C ZINC000307538597 346099703 /nfs/dbraw/zinc/09/97/03/346099703.db2.gz SBVGYPGJUQCQES-UHFFFAOYSA-N 0 0 197.347 3.841 10 0 AHAERN CSc1c(C)ccc(Cl)c1F ZINC000307545032 346103826 /nfs/dbraw/zinc/10/38/26/346103826.db2.gz ADICNDFIALRWLL-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN CC1(C)CCC(CC(=O)C2CC2)CC1 ZINC000307550184 346106960 /nfs/dbraw/zinc/10/69/60/346106960.db2.gz OFHLFMOKPVEELB-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN Cl/C=C/C=C\C1CCCCC1 ZINC000307550947 346107363 /nfs/dbraw/zinc/10/73/63/346107363.db2.gz ROPDSORKUGQLHS-MVTUOISNSA-N 0 0 170.683 3.875 10 0 AHAERN Cc1cc(F)cc(C(F)F)c1Cl ZINC000307552237 346108356 /nfs/dbraw/zinc/10/83/56/346108356.db2.gz CDGIHMIKAOVJMU-UHFFFAOYSA-N 0 0 194.583 3.725 10 0 AHAERN C/C=C/COc1cc(C)ccc1Cl ZINC000307572724 346121605 /nfs/dbraw/zinc/12/16/05/346121605.db2.gz ZBTMYHCZVQYSRD-ONEGZZNKSA-N 0 0 196.677 3.603 10 0 AHAERN CSc1c(F)cc(C)cc1Cl ZINC000307610558 346145496 /nfs/dbraw/zinc/14/54/96/346145496.db2.gz HIAZQXMIGVYFKG-UHFFFAOYSA-N 0 0 190.670 3.509 10 0 AHAERN Cc1csc2c1nc(C)cc2Cl ZINC000307619869 346151652 /nfs/dbraw/zinc/15/16/52/346151652.db2.gz ZNQWXIZUOUIVTF-UHFFFAOYSA-N 0 0 197.690 3.567 10 0 AHAERN CC1(C[C@@H]2CCCC(=O)C2)CCCC1 ZINC000307623973 572701334 /nfs/dbraw/zinc/70/13/34/572701334.db2.gz FECJJOXMESOHDX-LLVKDONJSA-N 0 0 194.318 3.716 10 0 AHAERN CC1(C[C@H]2CCCC(=O)C2)CCCC1 ZINC000307623974 572700214 /nfs/dbraw/zinc/70/02/14/572700214.db2.gz FECJJOXMESOHDX-NSHDSACASA-N 0 0 194.318 3.716 10 0 AHAERN CC1(C)[C@@H]2CC[C@H]1/C(=C\Cl)C2 ZINC000307633083 572741308 /nfs/dbraw/zinc/74/13/08/572741308.db2.gz NEPFVXCSDSDWKM-WVXMWNJGSA-N 0 0 170.683 3.565 10 0 AHAERN Cc1cc(Cl)cc(Cl)c1CF ZINC000307636677 572754116 /nfs/dbraw/zinc/75/41/16/572754116.db2.gz UYSFXWOFVQUQJS-UHFFFAOYSA-N 0 0 193.048 3.771 10 0 AHAERN Cc1cc(Cl)cc(C)c1NC(C)C ZINC000307748637 346218323 /nfs/dbraw/zinc/21/83/23/346218323.db2.gz COFCRPYPPTYHFO-UHFFFAOYSA-N 0 0 197.709 3.777 10 0 AHAERN CC1CCC(/C=C\Cl)CC1 ZINC000307779997 572505200 /nfs/dbraw/zinc/50/52/00/572505200.db2.gz AVRSIKVWKPWMDK-SREVYHEPSA-N 0 0 158.672 3.565 10 0 AHAERN CC1CCC(C)(/C=C\Cl)CC1 ZINC000307788361 572527561 /nfs/dbraw/zinc/52/75/61/572527561.db2.gz FBQGZPJOTARQAH-FPLPWBNLSA-N 0 0 172.699 3.955 10 0 AHAERN C/C=C/C=C/C=C/C=C\Br ZINC000307795107 572539507 /nfs/dbraw/zinc/53/95/07/572539507.db2.gz HUZYCZKZOFMENX-DUSYJFJGSA-N 0 0 199.091 3.584 10 0 AHAERN CCCCC/C(Cl)=C\Cl ZINC000307801405 572551475 /nfs/dbraw/zinc/55/14/75/572551475.db2.gz DMMYAQDFTWYBFD-VOTSOKGWSA-N 0 0 167.079 3.886 10 0 AHAERN CC(C)(C)C(C)(C)/C=C\Cl ZINC000307806006 572555421 /nfs/dbraw/zinc/55/54/21/572555421.db2.gz NBTKBCRBQUAMBX-SREVYHEPSA-N 0 0 160.688 3.811 10 0 AHAERN CCCCS/C(Cl)=C\Cl ZINC000307816553 572567806 /nfs/dbraw/zinc/56/78/06/572567806.db2.gz KIXVEUMLQKHHTI-WAYWQWQTSA-N 0 0 185.119 3.796 10 0 AHAERN CCCCCSC[C@H](F)CC ZINC000307854647 572646518 /nfs/dbraw/zinc/64/65/18/572646518.db2.gz CYLGHPXKTXDDFE-SECBINFHSA-N 0 0 178.316 3.658 10 0 AHAERN CCCCCSC[C@@H](F)CC ZINC000307854648 572645419 /nfs/dbraw/zinc/64/54/19/572645419.db2.gz CYLGHPXKTXDDFE-VIFPVBQESA-N 0 0 178.316 3.658 10 0 AHAERN CCCCSCC=C1CCC1 ZINC000307871155 572688085 /nfs/dbraw/zinc/68/80/85/572688085.db2.gz LOEYYRSOBJHZKZ-UHFFFAOYSA-N 0 0 170.321 3.630 10 0 AHAERN C/C(=C/Cl)CSCC[C@@H](C)F ZINC000307877188 572715434 /nfs/dbraw/zinc/71/54/34/572715434.db2.gz OJEMEZRMDSWZEY-GRKOMRHMSA-N 0 0 196.718 3.610 10 0 AHAERN C/C(=C\Cl)CSCC[C@H](C)F ZINC000307877189 572714924 /nfs/dbraw/zinc/71/49/24/572714924.db2.gz OJEMEZRMDSWZEY-IVGLGHLBSA-N 0 0 196.718 3.610 10 0 AHAERN C/C(=C/Cl)CSCC[C@H](C)F ZINC000307877191 572716969 /nfs/dbraw/zinc/71/69/69/572716969.db2.gz OJEMEZRMDSWZEY-TVSKSKRASA-N 0 0 196.718 3.610 10 0 AHAERN C/C(=C\Cl)CSCC[C@@H](C)F ZINC000307877196 572716832 /nfs/dbraw/zinc/71/68/32/572716832.db2.gz OJEMEZRMDSWZEY-WVXIBAHESA-N 0 0 196.718 3.610 10 0 AHAERN CCCC[C@H](CC)/C(=C/Cl)OC ZINC000307886644 572726833 /nfs/dbraw/zinc/72/68/33/572726833.db2.gz LISOCQSEJZOZHX-CUQRQBARSA-N 0 0 190.714 3.929 10 0 AHAERN CCCC[C@@H](CC)/C(=C/Cl)OC ZINC000307886645 572728559 /nfs/dbraw/zinc/72/85/59/572728559.db2.gz LISOCQSEJZOZHX-URLRMUCDSA-N 0 0 190.714 3.929 10 0 AHAERN CC[C@H](F)CSCCC(C)C ZINC000307889543 572737270 /nfs/dbraw/zinc/73/72/70/572737270.db2.gz YGIDPIVHKDBUNE-VIFPVBQESA-N 0 0 178.316 3.514 10 0 AHAERN CCC(CC)SC[C@H](F)CC ZINC000307913207 572763425 /nfs/dbraw/zinc/76/34/25/572763425.db2.gz YWDWNCVPJXAWOW-MRVPVSSYSA-N 0 0 178.316 3.656 10 0 AHAERN CCC(CC)SC[C@@H](F)CC ZINC000307913208 572763071 /nfs/dbraw/zinc/76/30/71/572763071.db2.gz YWDWNCVPJXAWOW-QMMMGPOBSA-N 0 0 178.316 3.656 10 0 AHAERN CCC(CC)SCC[C@H](C)F ZINC000307919085 572769241 /nfs/dbraw/zinc/76/92/41/572769241.db2.gz GFSQVSUKVMQODX-QMMMGPOBSA-N 0 0 178.316 3.656 10 0 AHAERN CC(C)=CC[C@H](C)[C@H](C)CC=O ZINC000307931082 572771773 /nfs/dbraw/zinc/77/17/73/572771773.db2.gz AVIRYXXKTUAHPS-MYEMAUTDSA-N 0 0 168.280 3.687 10 0 AHAERN CC(C)=CC[C@H](C)[C@@H](C)CC=O ZINC000307931083 572773618 /nfs/dbraw/zinc/77/36/18/572773618.db2.gz AVIRYXXKTUAHPS-ZXXKLBARSA-N 0 0 168.280 3.687 10 0 AHAERN C=C/C=C\[C@H](C)CC1CCCC1 ZINC000307938894 572799858 /nfs/dbraw/zinc/79/98/58/572799858.db2.gz AMDJUGLRBGFIJL-IBHLPDHGSA-N 0 0 164.292 3.945 10 0 AHAERN C=C/C=C\[C@@H](C)CC1CCCC1 ZINC000307938895 572799558 /nfs/dbraw/zinc/79/95/58/572799558.db2.gz AMDJUGLRBGFIJL-MEQVVJDKSA-N 0 0 164.292 3.945 10 0 AHAERN C[C@@H](SCC1CC1)C1CCCC1 ZINC000307942670 572810568 /nfs/dbraw/zinc/81/05/68/572810568.db2.gz DLGJFGLFWRJHRJ-SECBINFHSA-N 0 0 184.348 3.708 10 0 AHAERN C[C@H](SCC1CC1)C1CCCC1 ZINC000307942671 572809131 /nfs/dbraw/zinc/80/91/31/572809131.db2.gz DLGJFGLFWRJHRJ-VIFPVBQESA-N 0 0 184.348 3.708 10 0 AHAERN CC(C)=CCSCc1cccs1 ZINC000307958770 572844765 /nfs/dbraw/zinc/84/47/65/572844765.db2.gz IJICWGQZEPOOQJ-UHFFFAOYSA-N 0 0 198.356 3.948 10 0 AHAERN C[C@@H](F)CCSc1ccccc1 ZINC000307958839 572846384 /nfs/dbraw/zinc/84/63/84/572846384.db2.gz UHQGISMDCPRVLW-SECBINFHSA-N 0 0 184.279 3.527 10 0 AHAERN C[C@H](F)CCSc1ccccc1 ZINC000307958840 572847836 /nfs/dbraw/zinc/84/78/36/572847836.db2.gz UHQGISMDCPRVLW-VIFPVBQESA-N 0 0 184.279 3.527 10 0 AHAERN CC[C@H](F)CSCC=C1CCC1 ZINC000307972562 572886031 /nfs/dbraw/zinc/88/60/31/572886031.db2.gz IDYDQUORZKRTSS-JTQLQIEISA-N 0 0 188.311 3.578 10 0 AHAERN CC[C@@H](F)CSCC=C1CCC1 ZINC000307972563 572886597 /nfs/dbraw/zinc/88/65/97/572886597.db2.gz IDYDQUORZKRTSS-SNVBAGLBSA-N 0 0 188.311 3.578 10 0 AHAERN CCc1csc(C(CC)CC)n1 ZINC000307974121 572893723 /nfs/dbraw/zinc/89/37/23/572893723.db2.gz JIYMLOLCYQAYBT-UHFFFAOYSA-N 0 0 183.320 3.609 10 0 AHAERN O=C1CC=CC/C(=C\Cl)CCCC1 ZINC000307984152 572347180 /nfs/dbraw/zinc/34/71/80/572347180.db2.gz IADCCQHQZZQGNU-JSLADXQWSA-N 0 0 198.693 3.589 10 0 AHAERN CCC/C=C\CCSCCCF ZINC000307998888 572364048 /nfs/dbraw/zinc/36/40/48/572364048.db2.gz YBSUVOMRTBXIHD-PLNGDYQASA-N 0 0 190.327 3.826 10 0 AHAERN CCC/C=C/CCSCCCF ZINC000307998889 572365436 /nfs/dbraw/zinc/36/54/36/572365436.db2.gz YBSUVOMRTBXIHD-SNAWJCMRSA-N 0 0 190.327 3.826 10 0 AHAERN CC[C@@H](F)CSc1ccccc1 ZINC000308006931 572394527 /nfs/dbraw/zinc/39/45/27/572394527.db2.gz HZTIWTCCMJABJI-SECBINFHSA-N 0 0 184.279 3.527 10 0 AHAERN CC[C@H](F)CSc1ccccc1 ZINC000308006933 572393613 /nfs/dbraw/zinc/39/36/13/572393613.db2.gz HZTIWTCCMJABJI-VIFPVBQESA-N 0 0 184.279 3.527 10 0 AHAERN Cl/C=C/C=C/CCc1ccccc1 ZINC000308009460 572395650 /nfs/dbraw/zinc/39/56/50/572395650.db2.gz FRVVGRFMSCITMH-IOHLXRPMSA-N 0 0 192.689 3.928 10 0 AHAERN CCC[C@H](CC(C)C)[C@H](O)C=C(C)C ZINC000308013611 572402638 /nfs/dbraw/zinc/40/26/38/572402638.db2.gz DJGHDLHXKJMBEZ-CHWSQXEVSA-N 0 0 198.350 3.776 10 0 AHAERN CCC[C@H](CC(C)C)[C@@H](O)C=C(C)C ZINC000308013612 572400598 /nfs/dbraw/zinc/40/05/98/572400598.db2.gz DJGHDLHXKJMBEZ-OLZOCXBDSA-N 0 0 198.350 3.776 10 0 AHAERN CCC[C@@H](CC(C)C)[C@H](O)C=C(C)C ZINC000308013613 572399887 /nfs/dbraw/zinc/39/98/87/572399887.db2.gz DJGHDLHXKJMBEZ-QWHCGFSZSA-N 0 0 198.350 3.776 10 0 AHAERN CCC[C@@H](CC(C)C)[C@@H](O)C=C(C)C ZINC000308013615 572403105 /nfs/dbraw/zinc/40/31/05/572403105.db2.gz DJGHDLHXKJMBEZ-STQMWFEESA-N 0 0 198.350 3.776 10 0 AHAERN CCC[C@H](CC(C)C)[C@H](O)C1CCC1 ZINC000308014237 572401236 /nfs/dbraw/zinc/40/12/36/572401236.db2.gz DQROKOSTGNUVII-CHWSQXEVSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](CC(C)C)[C@@H](O)C1CCC1 ZINC000308014238 572401260 /nfs/dbraw/zinc/40/12/60/572401260.db2.gz DQROKOSTGNUVII-OLZOCXBDSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H](CC(C)C)[C@H](O)C1CCC1 ZINC000308014241 572402331 /nfs/dbraw/zinc/40/23/31/572402331.db2.gz DQROKOSTGNUVII-QWHCGFSZSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H](CC(C)C)[C@@H](O)C1CCC1 ZINC000308014244 572400860 /nfs/dbraw/zinc/40/08/60/572400860.db2.gz DQROKOSTGNUVII-STQMWFEESA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](CC(C)C)[C@]1(O)C[C@H]1CC ZINC000308018729 572421410 /nfs/dbraw/zinc/42/14/10/572421410.db2.gz IFXFVYXEJXSWIX-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](CC(C)C)[C@]1(O)C[C@@H]1CC ZINC000308018732 572421277 /nfs/dbraw/zinc/42/12/77/572421277.db2.gz IFXFVYXEJXSWIX-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](CC(C)C)[C@@]1(O)C[C@@H]1CC ZINC000308018734 572419090 /nfs/dbraw/zinc/41/90/90/572419090.db2.gz IFXFVYXEJXSWIX-YNEHKIRRSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@H](O)[C@H](CC)CC(C)C ZINC000308020185 572427428 /nfs/dbraw/zinc/42/74/28/572427428.db2.gz JACWMVCOUJZULV-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@@H](O)[C@@H](CC)CC(C)C ZINC000308020188 572427583 /nfs/dbraw/zinc/42/75/83/572427583.db2.gz JACWMVCOUJZULV-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](O)[C@@H](CC)CC(C)C ZINC000308020190 572427887 /nfs/dbraw/zinc/42/78/87/572427887.db2.gz JACWMVCOUJZULV-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@@H](O)[C@H](CC)CC(C)C ZINC000308020192 572429446 /nfs/dbraw/zinc/42/94/46/572429446.db2.gz JACWMVCOUJZULV-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H](CC(C)C)[C@H](O)C1=CCCC1 ZINC000308026370 572434380 /nfs/dbraw/zinc/43/43/80/572434380.db2.gz XINLRHAYHUIPCW-AAEUAGOBSA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H](CC(C)C)[C@@H](O)C1=CCCC1 ZINC000308026372 572435917 /nfs/dbraw/zinc/43/59/17/572435917.db2.gz XINLRHAYHUIPCW-DGCLKSJQSA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@@H](CC(C)C)[C@@H](O)C1=CCCC1 ZINC000308026373 572436197 /nfs/dbraw/zinc/43/61/97/572436197.db2.gz XINLRHAYHUIPCW-WCQYABFASA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H](CC(C)C)[C@H](O)C1=CCCC1 ZINC000308026374 572434719 /nfs/dbraw/zinc/43/47/19/572434719.db2.gz XINLRHAYHUIPCW-YPMHNXCESA-N 0 0 196.334 3.530 10 0 AHAERN CCC[C@@H]1C[C@@]1(O)[C@H](CC)CC(C)C ZINC000308035228 572463281 /nfs/dbraw/zinc/46/32/81/572463281.db2.gz SGAQNZRDSTZCJF-JHJVBQTASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H]1C[C@]1(O)[C@H](CC)CC(C)C ZINC000308035230 572462670 /nfs/dbraw/zinc/46/26/70/572462670.db2.gz SGAQNZRDSTZCJF-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H]1C[C@]1(O)[C@@H](CC)CC(C)C ZINC000308035231 572464090 /nfs/dbraw/zinc/46/40/90/572464090.db2.gz SGAQNZRDSTZCJF-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H]1C[C@@]1(O)[C@@H](CC)CC(C)C ZINC000308035232 572464997 /nfs/dbraw/zinc/46/49/97/572464997.db2.gz SGAQNZRDSTZCJF-YNEHKIRRSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](CC(C)C)[C@H](O)CC1CCC1 ZINC000308035245 572462109 /nfs/dbraw/zinc/46/21/09/572462109.db2.gz SHRZNFGNJMQVOV-CHWSQXEVSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](CC(C)C)[C@@H](O)CC1CCC1 ZINC000308035247 572463630 /nfs/dbraw/zinc/46/36/30/572463630.db2.gz SHRZNFGNJMQVOV-OLZOCXBDSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](CC(C)C)[C@H](O)CC1CCC1 ZINC000308035248 572463077 /nfs/dbraw/zinc/46/30/77/572463077.db2.gz SHRZNFGNJMQVOV-QWHCGFSZSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](CC(C)C)[C@@H](O)CC1CCC1 ZINC000308035250 572464050 /nfs/dbraw/zinc/46/40/50/572464050.db2.gz SHRZNFGNJMQVOV-STQMWFEESA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H](CC(C)C)[C@@H](O)CCC ZINC000308038729 572469903 /nfs/dbraw/zinc/46/99/03/572469903.db2.gz XXPJLTCNNQXTRQ-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](O)[C@@H](CCC)CC(C)C ZINC000308038730 572472834 /nfs/dbraw/zinc/47/28/34/572472834.db2.gz XXPJLTCNNQXTRQ-NWDGAFQWSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](O)[C@@H](CCC)CC(C)C ZINC000308038731 572471839 /nfs/dbraw/zinc/47/18/39/572471839.db2.gz XXPJLTCNNQXTRQ-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](O)[C@H](CCC)CC(C)C ZINC000308038732 572472995 /nfs/dbraw/zinc/47/29/95/572472995.db2.gz XXPJLTCNNQXTRQ-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H](CC(C)C)[C@H](O)C1CCCC1 ZINC000308039465 572471787 /nfs/dbraw/zinc/47/17/87/572471787.db2.gz ZMJYBMJTOJCXBL-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](CC(C)C)[C@@H](O)C1CCCC1 ZINC000308039469 572470855 /nfs/dbraw/zinc/47/08/55/572470855.db2.gz ZMJYBMJTOJCXBL-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](CC(C)C)[C@H](O)C1CCCC1 ZINC000308039471 572473043 /nfs/dbraw/zinc/47/30/43/572473043.db2.gz ZMJYBMJTOJCXBL-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN CC(=CC(C)C)Nc1ccccc1 ZINC000308040894 572496215 /nfs/dbraw/zinc/49/62/15/572496215.db2.gz AWDVKNDKTFQPLI-PKNBQFBNSA-N 0 0 175.275 3.658 10 0 AHAERN CCCC=C(C)Nc1ccccc1 ZINC000308041641 572487509 /nfs/dbraw/zinc/48/75/09/572487509.db2.gz AQUSNKBTLKPAIH-DHZHZOJOSA-N 0 0 175.275 3.802 10 0 AHAERN CC/C=C\c1ccc(/C=C\CC)[nH]1 ZINC000308046956 572515988 /nfs/dbraw/zinc/51/59/88/572515988.db2.gz DFEKLPSILVXXQH-SFECMWDFSA-N 0 0 175.275 3.861 10 0 AHAERN CC[C@@H](C)C(=O)[C@H](CC)CC(C)C ZINC000308052694 572536179 /nfs/dbraw/zinc/53/61/79/572536179.db2.gz HARCUBVZADEVOA-GHMZBOCLSA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@@H](C)C(=O)[C@@H](CC)CC(C)C ZINC000308052695 572536165 /nfs/dbraw/zinc/53/61/65/572536165.db2.gz HARCUBVZADEVOA-MNOVXSKESA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@H](C)C(=O)[C@@H](CC)CC(C)C ZINC000308052696 572534718 /nfs/dbraw/zinc/53/47/18/572534718.db2.gz HARCUBVZADEVOA-QWRGUYRKSA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@H](CC(C)C)C(=O)[C@@H](C)CC ZINC000308052697 572534242 /nfs/dbraw/zinc/53/42/42/572534242.db2.gz HARCUBVZADEVOA-WDEREUQCSA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@H](CC(C)C)C(=O)CC1CCC1 ZINC000308052755 572537232 /nfs/dbraw/zinc/53/72/32/572537232.db2.gz HSFBOMUMXUCHHQ-GFCCVEGCSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H](CC(C)C)C(=O)CC1CCC1 ZINC000308052756 572537199 /nfs/dbraw/zinc/53/71/99/572537199.db2.gz HSFBOMUMXUCHHQ-LBPRGKRZSA-N 0 0 196.334 3.818 10 0 AHAERN CCC=C(C)Nc1ccc(C)cc1 ZINC000308055978 572539783 /nfs/dbraw/zinc/53/97/83/572539783.db2.gz OLIBQYGRQIDNER-VZUCSPMQSA-N 0 0 175.275 3.721 10 0 AHAERN FCCCCSCC=C1CCC1 ZINC000308077433 572624134 /nfs/dbraw/zinc/62/41/34/572624134.db2.gz GJEJJUPTJNKYSY-UHFFFAOYSA-N 0 0 188.311 3.580 10 0 AHAERN CCC[C@H](CC(C)C)C(=O)CC1CC1 ZINC000308079711 572621334 /nfs/dbraw/zinc/62/13/34/572621334.db2.gz BCASHVNGFUHZOY-GFCCVEGCSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H](CC(C)C)C(=O)CC1CC1 ZINC000308079712 572620668 /nfs/dbraw/zinc/62/06/68/572620668.db2.gz BCASHVNGFUHZOY-LBPRGKRZSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](CC(C)C)C(=O)c1ccco1 ZINC000308100879 572730850 /nfs/dbraw/zinc/73/08/50/572730850.db2.gz FCXQTDLHXSHDTK-SNVBAGLBSA-N 0 0 194.274 3.535 10 0 AHAERN C/C=C\CNc1ccc(C)c(Cl)c1 ZINC000308105040 346256641 /nfs/dbraw/zinc/25/66/41/346256641.db2.gz LJMSHEDUXBHLJI-ARJAWSKDSA-N 0 0 195.693 3.636 10 0 AHAERN CCC[C@H](CC(C)C)C(=O)C1CCC1 ZINC000308112476 572751354 /nfs/dbraw/zinc/75/13/54/572751354.db2.gz PMKRTPMVZULGCC-GFCCVEGCSA-N 0 0 196.334 3.818 10 0 AHAERN CCC[C@@H](CC(C)C)C(=O)C1CCC1 ZINC000308112478 572751878 /nfs/dbraw/zinc/75/18/78/572751878.db2.gz PMKRTPMVZULGCC-LBPRGKRZSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(=O)[C@H](CCC)CC(C)C ZINC000308116217 572760324 /nfs/dbraw/zinc/76/03/24/572760324.db2.gz VYVCXAQXQDWSDD-LLVKDONJSA-N 0 0 184.323 3.818 10 0 AHAERN CCCC(=O)[C@@H](CCC)CC(C)C ZINC000308116220 572759974 /nfs/dbraw/zinc/75/99/74/572759974.db2.gz VYVCXAQXQDWSDD-NSHDSACASA-N 0 0 184.323 3.818 10 0 AHAERN CCCCC/C=C\C(C)(C)[C@@H](C)O ZINC000308119627 572781205 /nfs/dbraw/zinc/78/12/05/572781205.db2.gz DCGTYORWXYUNLY-DWOQACPDSA-N 0 0 184.323 3.530 10 0 AHAERN CCCCC/C=C\C(C)(C)[C@H](C)O ZINC000308119629 572780255 /nfs/dbraw/zinc/78/02/55/572780255.db2.gz DCGTYORWXYUNLY-JUDLJHIGSA-N 0 0 184.323 3.530 10 0 AHAERN CC/C=C\[C@H](CCO)CCCCC ZINC000308120344 572780875 /nfs/dbraw/zinc/78/08/75/572780875.db2.gz GMNMVCBQNAIUMD-VFFGBVLKSA-N 0 0 184.323 3.532 10 0 AHAERN CC/C=C\[C@@H](CCO)CCCCC ZINC000308120345 572781969 /nfs/dbraw/zinc/78/19/69/572781969.db2.gz GMNMVCBQNAIUMD-XYLWRLHESA-N 0 0 184.323 3.532 10 0 AHAERN CC(C)CCCCC[C@@H](C)CCO ZINC000308120864 572762127 /nfs/dbraw/zinc/76/21/27/572762127.db2.gz HYTZBINKIQUCSY-GFCCVEGCSA-N 0 0 186.339 3.611 10 0 AHAERN CCCC/C=C(\CCO)CCCC ZINC000308121430 572761804 /nfs/dbraw/zinc/76/18/04/572761804.db2.gz KBDYOIFYLFTPJE-XFXZXTDPSA-N 0 0 184.323 3.676 10 0 AHAERN CC[C@@H](O)C[C@H](CC)C[C@@H](C)CC ZINC000308123388 572768819 /nfs/dbraw/zinc/76/88/19/572768819.db2.gz SECIHJPAMOAYIL-QJPTWQEYSA-N 0 0 186.339 3.610 10 0 AHAERN CC[C@@H](O)C[C@@H](CC)C[C@@H](C)CC ZINC000308123389 572769352 /nfs/dbraw/zinc/76/93/52/572769352.db2.gz SECIHJPAMOAYIL-SDDRHHMPSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCCC(=O)CCCCF ZINC000308125453 572772102 /nfs/dbraw/zinc/77/21/02/572772102.db2.gz ASAGNJRUCKXBRP-UHFFFAOYSA-N 0 0 188.286 3.666 10 0 AHAERN CCC/C=C(/CC)[C@@H](O)CCCC ZINC000308125821 572770555 /nfs/dbraw/zinc/77/05/55/572770555.db2.gz AHNPDNPLFJKAGD-MMRAYRKESA-N 0 0 184.323 3.674 10 0 AHAERN CCC/C=C(/CC)[C@H](O)CCCC ZINC000308125824 572772702 /nfs/dbraw/zinc/77/27/02/572772702.db2.gz AHNPDNPLFJKAGD-UCQJPZFISA-N 0 0 184.323 3.674 10 0 AHAERN CCCCCC[C@@H](O)/C=C\C(C)C ZINC000308125926 572770663 /nfs/dbraw/zinc/77/06/63/572770663.db2.gz ALSOOHTZDCRKRT-ZWLSGLHFSA-N 0 0 184.323 3.530 10 0 AHAERN CC(C)[C@H]1CCC(C)(C)C(C=O)C1 ZINC000308125951 572771925 /nfs/dbraw/zinc/77/19/25/572771925.db2.gz AMHXKKIVEAPATP-DFYQSJSGSA-N 0 0 182.307 3.911 10 0 AHAERN CC(C)[C@@H]1CCC(C)(C)C(C=O)C1 ZINC000308125955 572772816 /nfs/dbraw/zinc/77/28/16/572772816.db2.gz AMHXKKIVEAPATP-UBYNWHESSA-N 0 0 182.307 3.911 10 0 AHAERN CCCCCC(=O)C1(CCC)CC1 ZINC000308126828 572773761 /nfs/dbraw/zinc/77/37/61/572773761.db2.gz BMXIUHYQNIPENA-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN CC(C)(C)CSCC=C1CCC1 ZINC000308127482 572769024 /nfs/dbraw/zinc/76/90/24/572769024.db2.gz VZUQKMSEDVELHW-UHFFFAOYSA-N 0 0 184.348 3.876 10 0 AHAERN CO/C=C1\CCC[C@@H](C=C(C)C)C1 ZINC000308128926 572783938 /nfs/dbraw/zinc/78/39/38/572783938.db2.gz GUDUVVCLGPZPMZ-UTEVDWOZSA-N 0 0 180.291 3.673 10 0 AHAERN CCC(O)(CC)CC1(C)CCCC1 ZINC000308131270 572788007 /nfs/dbraw/zinc/78/80/07/572788007.db2.gz JEKOTJWMXCWPMP-UHFFFAOYSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC1(C(=O)c2ccsc2)CC1 ZINC000308132831 572805740 /nfs/dbraw/zinc/80/57/40/572805740.db2.gz GBMTWQLDHMORSG-UHFFFAOYSA-N 0 0 194.299 3.511 10 0 AHAERN CCC(CC)CC(=O)C1(CC)CC1 ZINC000308134956 572817543 /nfs/dbraw/zinc/81/75/43/572817543.db2.gz HPKYVLGTHIXNRB-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)CCc1csc(C2CC2)n1 ZINC000308140183 572821298 /nfs/dbraw/zinc/82/12/98/572821298.db2.gz HZNVPNCMTODIOG-UHFFFAOYSA-N 0 0 195.331 3.609 10 0 AHAERN CC(C)C[C@@H](C)C(=O)c1cccs1 ZINC000308141267 572825756 /nfs/dbraw/zinc/82/57/56/572825756.db2.gz LKWZXKKKBPOQMK-SECBINFHSA-N 0 0 196.315 3.613 10 0 AHAERN CC(C)C[C@H](C)C(=O)c1cccs1 ZINC000308141268 572825378 /nfs/dbraw/zinc/82/53/78/572825378.db2.gz LKWZXKKKBPOQMK-VIFPVBQESA-N 0 0 196.315 3.613 10 0 AHAERN CCCC1(C(=O)C[C@@H](C)CC)CC1 ZINC000308145575 572854145 /nfs/dbraw/zinc/85/41/45/572854145.db2.gz NWJZKVNNNKXZAH-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCCC1(C(=O)C[C@H](C)CC)CC1 ZINC000308145576 572854218 /nfs/dbraw/zinc/85/42/18/572854218.db2.gz NWJZKVNNNKXZAH-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCCC[C@@H](O)C1(CC)CC1 ZINC000308147717 572859535 /nfs/dbraw/zinc/85/95/35/572859535.db2.gz PBNYYVZFQDTADI-LLVKDONJSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@H](O)C1(CC)CC1 ZINC000308147718 572859707 /nfs/dbraw/zinc/85/97/07/572859707.db2.gz PBNYYVZFQDTADI-NSHDSACASA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC=CC=CC=CCC=O ZINC000308149236 572842668 /nfs/dbraw/zinc/84/26/68/572842668.db2.gz FWGOYHZMSWIEFJ-DYMAXXJWSA-N 0 0 178.275 3.917 10 0 AHAERN CC(C)(C)/C=C\CCCCCCO ZINC000308150080 572844267 /nfs/dbraw/zinc/84/42/67/572844267.db2.gz HGXCOAYFFUMXIT-NTMALXAHSA-N 0 0 184.323 3.532 10 0 AHAERN CC(C)CCC(=O)[C@H](C)CC(C)C ZINC000308154285 572864998 /nfs/dbraw/zinc/86/49/98/572864998.db2.gz SLYCXDGQDGKPBV-LLVKDONJSA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)CCC(=O)[C@@H](C)CC(C)C ZINC000308154287 572863928 /nfs/dbraw/zinc/86/39/28/572863928.db2.gz SLYCXDGQDGKPBV-NSHDSACASA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)(C)CCCC(=O)C(C)(C)F ZINC000308159396 572880745 /nfs/dbraw/zinc/88/07/45/572880745.db2.gz VSIBSBJPNSSBQO-UHFFFAOYSA-N 0 0 188.286 3.520 10 0 AHAERN CCCCCC[C@@]1(O)CCC1(C)C ZINC000308159407 572880691 /nfs/dbraw/zinc/88/06/91/572880691.db2.gz VSXCNUCLJQWWOF-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCCC[C@]1(O)CCC1(C)C ZINC000308159408 572881162 /nfs/dbraw/zinc/88/11/62/572881162.db2.gz VSXCNUCLJQWWOF-LBPRGKRZSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC1(C(=O)CCC(C)C)CC1 ZINC000308159901 572880637 /nfs/dbraw/zinc/88/06/37/572880637.db2.gz WALYBHOEVYDKLD-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN C/C=C\COc1cc(C)ccc1Cl ZINC000308165393 346264467 /nfs/dbraw/zinc/26/44/67/346264467.db2.gz ZBTMYHCZVQYSRD-ARJAWSKDSA-N 0 0 196.677 3.603 10 0 AHAERN CCCCCCC(=O)C1(CC)CC1 ZINC000308166987 572887132 /nfs/dbraw/zinc/88/71/32/572887132.db2.gz ZWFRJFGCQLOLNQ-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN CCCCC(=O)C(C)(C)C(C)(C)C ZINC000308167530 572887284 /nfs/dbraw/zinc/88/72/84/572887284.db2.gz AHOBSIWCYBMFES-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN CCC(CC)C(=O)CC1(C)CCC1 ZINC000308167849 572885782 /nfs/dbraw/zinc/88/57/82/572885782.db2.gz AMHGGCJMRXYZJT-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN C/C=C/[C@](C)(CCCC)[C@@H](O)CC ZINC000308168036 572887258 /nfs/dbraw/zinc/88/72/58/572887258.db2.gz SGKPUZVFZASRQW-GJEJFBSKSA-N 0 0 184.323 3.530 10 0 AHAERN C/C=C\[C@](C)(CCCC)[C@@H](O)CC ZINC000308168037 572887069 /nfs/dbraw/zinc/88/70/69/572887069.db2.gz SGKPUZVFZASRQW-NYMIHGAESA-N 0 0 184.323 3.530 10 0 AHAERN CC(C)CC(=O)CCCCCCF ZINC000308169331 572888976 /nfs/dbraw/zinc/88/89/76/572888976.db2.gz BYGVVPZTVLCCFH-UHFFFAOYSA-N 0 0 188.286 3.522 10 0 AHAERN CCCCC/C=C\C[C@H](O)C(C)C ZINC000308173405 572901945 /nfs/dbraw/zinc/90/19/45/572901945.db2.gz XVNUAVCGNGLJRO-LAUAKBEESA-N 0 0 184.323 3.530 10 0 AHAERN CC/C=C(/C)[C@H](O)[C@H](CC)CCC ZINC000308174193 572895319 /nfs/dbraw/zinc/89/53/19/572895319.db2.gz YULJVVRSUPHLGH-ZFPPVFKBSA-N 0 0 184.323 3.530 10 0 AHAERN CCCc1nc(CCC)c(CC)s1 ZINC000308174867 572897217 /nfs/dbraw/zinc/89/72/17/572897217.db2.gz DYHHLFZZKFDIHP-UHFFFAOYSA-N 0 0 197.347 3.611 10 0 AHAERN CC(C)CC(=O)CC1(C)CCCC1 ZINC000308175667 572898425 /nfs/dbraw/zinc/89/84/25/572898425.db2.gz ASIHIWYWOIQSFF-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)C[C@H](C)C(=O)CC(C)(C)C ZINC000308176113 572898707 /nfs/dbraw/zinc/89/87/07/572898707.db2.gz FMHNJSPPAMAEKU-JTQLQIEISA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)C[C@@H](C)C(=O)CC(C)(C)C ZINC000308176115 572897231 /nfs/dbraw/zinc/89/72/31/572897231.db2.gz FMHNJSPPAMAEKU-SNVBAGLBSA-N 0 0 184.323 3.674 10 0 AHAERN CC(=O)CC(C)(C)[C@H](C)CC(C)C ZINC000308177384 572900138 /nfs/dbraw/zinc/90/01/38/572900138.db2.gz FVUTUSXFHTUUGB-SNVBAGLBSA-N 0 0 184.323 3.674 10 0 AHAERN CC(=O)CC[C@@H](C)C1CCCCC1 ZINC000308178996 572905763 /nfs/dbraw/zinc/90/57/63/572905763.db2.gz VDCPAPGKUBUPBY-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC[C@@]1(CC)CCCC[C@H]1O ZINC000308180819 572907403 /nfs/dbraw/zinc/90/74/03/572907403.db2.gz CNPJGCXMCDJUNK-NEPJUHHUSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@]1(CC)CCCC[C@@H]1O ZINC000308180820 572907123 /nfs/dbraw/zinc/90/71/23/572907123.db2.gz CNPJGCXMCDJUNK-NWDGAFQWSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@H](C)Cn1cc(C)c(C)c1 ZINC000308184512 572909176 /nfs/dbraw/zinc/90/91/76/572909176.db2.gz IULUDDSZQRUVGE-JTQLQIEISA-N 0 0 179.307 3.541 10 0 AHAERN CCC[C@@H](C)Cn1cc(C)c(C)c1 ZINC000308184514 572908087 /nfs/dbraw/zinc/90/80/87/572908087.db2.gz IULUDDSZQRUVGE-SNVBAGLBSA-N 0 0 179.307 3.541 10 0 AHAERN CC[C@H](C)C(=O)C(C(C)C)C(C)C ZINC000308184895 572908840 /nfs/dbraw/zinc/90/88/40/572908840.db2.gz JAJWTASLZASYDR-JTQLQIEISA-N 0 0 184.323 3.530 10 0 AHAERN CC[C@@H](C)C(=O)C(C(C)C)C(C)C ZINC000308184900 572909869 /nfs/dbraw/zinc/90/98/69/572909869.db2.gz JAJWTASLZASYDR-SNVBAGLBSA-N 0 0 184.323 3.530 10 0 AHAERN CCCCC[C@@H](O)[C@@H](C)C(C)(C)C ZINC000308185774 572912326 /nfs/dbraw/zinc/91/23/26/572912326.db2.gz JNDXELPLIPCWDV-GHMZBOCLSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCC[C@H](O)[C@@H](C)C(C)(C)C ZINC000308185775 572911450 /nfs/dbraw/zinc/91/14/50/572911450.db2.gz JNDXELPLIPCWDV-MNOVXSKESA-N 0 0 186.339 3.610 10 0 AHAERN CCCCC[C@@H](O)[C@H](C)C(C)(C)C ZINC000308185778 572911928 /nfs/dbraw/zinc/91/19/28/572911928.db2.gz JNDXELPLIPCWDV-WDEREUQCSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](C)[C@@](C)(O)CCC(C)C ZINC000308191006 572922355 /nfs/dbraw/zinc/92/23/55/572922355.db2.gz NQKXNCNAILAECX-NEPJUHHUSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@H](C)[C@@](C)(O)CCC(C)C ZINC000308191008 572922314 /nfs/dbraw/zinc/92/23/14/572922314.db2.gz NQKXNCNAILAECX-RYUDHWBXSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@@H](C)[C@](C)(O)CCC(C)C ZINC000308191009 572921320 /nfs/dbraw/zinc/92/13/20/572921320.db2.gz NQKXNCNAILAECX-VXGBXAGGSA-N 0 0 186.339 3.610 10 0 AHAERN CCCCCC[C@@H](/C=C/CO)CC ZINC000308196268 572938416 /nfs/dbraw/zinc/93/84/16/572938416.db2.gz MTNYMEQOSGOFJC-OANVXVOSSA-N 0 0 184.323 3.532 10 0 AHAERN CCCCCC[C@H](/C=C\CO)CC ZINC000308196269 572938520 /nfs/dbraw/zinc/93/85/20/572938520.db2.gz MTNYMEQOSGOFJC-VPUINMBXSA-N 0 0 184.323 3.532 10 0 AHAERN CCCCCC[C@H](/C=C/CO)CC ZINC000308196270 572939201 /nfs/dbraw/zinc/93/92/01/572939201.db2.gz MTNYMEQOSGOFJC-ZJNQMXKESA-N 0 0 184.323 3.532 10 0 AHAERN CCCCC(=O)C(C(C)C)C(C)C ZINC000308198509 572942513 /nfs/dbraw/zinc/94/25/13/572942513.db2.gz SUOBNBPFSHELFO-UHFFFAOYSA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)CC(=O)C(C(C)C)C(C)C ZINC000308200659 572928546 /nfs/dbraw/zinc/92/85/46/572928546.db2.gz UWODYCKHTNROLK-UHFFFAOYSA-N 0 0 184.323 3.530 10 0 AHAERN C/C=C\COc1ccc(Cl)c(C)c1 ZINC000308200990 572928207 /nfs/dbraw/zinc/92/82/07/572928207.db2.gz VCIDSGVAQAOQMQ-ARJAWSKDSA-N 0 0 196.677 3.603 10 0 AHAERN CCCc1nc(C2CC2)c(CC)s1 ZINC000308201964 572929892 /nfs/dbraw/zinc/92/98/92/572929892.db2.gz VVDSXMPEFHOZFM-UHFFFAOYSA-N 0 0 195.331 3.535 10 0 AHAERN CC(C)(C)C(=O)CCCCCCF ZINC000308201987 572928498 /nfs/dbraw/zinc/92/84/98/572928498.db2.gz VWSHARASYPWIGR-UHFFFAOYSA-N 0 0 188.286 3.522 10 0 AHAERN CCC[C@H](O)CCC1(C)CCCC1 ZINC000308204123 572933853 /nfs/dbraw/zinc/93/38/53/572933853.db2.gz RSJGVQJDHLTKAI-NSHDSACASA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC(C)(C)/C=C/C[C@H](C)O ZINC000308204290 572933780 /nfs/dbraw/zinc/93/37/80/572933780.db2.gz GTKLBVSPMRIRFZ-HUYFXPKMSA-N 0 0 184.323 3.530 10 0 AHAERN CCCCC(C)(C)/C=C\C[C@@H](C)O ZINC000308204293 572933908 /nfs/dbraw/zinc/93/39/08/572933908.db2.gz GTKLBVSPMRIRFZ-ZJRUKIMVSA-N 0 0 184.323 3.530 10 0 AHAERN CC(C)CCCCC[C@H](C)CCO ZINC000308206025 572936912 /nfs/dbraw/zinc/93/69/12/572936912.db2.gz HYTZBINKIQUCSY-LBPRGKRZSA-N 0 0 186.339 3.611 10 0 AHAERN CCCc1nc(C2CC2)sc1CC ZINC000308206156 572936118 /nfs/dbraw/zinc/93/61/18/572936118.db2.gz YXUHUHRLSHSSEP-UHFFFAOYSA-N 0 0 195.331 3.535 10 0 AHAERN CCCCCC[C@H](C=C(C)C)CO ZINC000308211322 572943650 /nfs/dbraw/zinc/94/36/50/572943650.db2.gz WNJUZYGVFOFNMJ-GFCCVEGCSA-N 0 0 184.323 3.532 10 0 AHAERN CCCCC(=O)CC1(C)CCCC1 ZINC000308213720 572948868 /nfs/dbraw/zinc/94/88/68/572948868.db2.gz XZBDUDZNHKWQRD-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN CC[C@@H](F)CSCc1ccccc1 ZINC000308214101 572949693 /nfs/dbraw/zinc/94/96/93/572949693.db2.gz HZXPUNVKBPBMNQ-LLVKDONJSA-N 0 0 198.306 3.668 10 0 AHAERN CC[C@H](F)CSCc1ccccc1 ZINC000308214102 572949810 /nfs/dbraw/zinc/94/98/10/572949810.db2.gz HZXPUNVKBPBMNQ-NSHDSACASA-N 0 0 198.306 3.668 10 0 AHAERN CCCCCCc1ccnc(Cl)c1 ZINC000308214894 572948551 /nfs/dbraw/zinc/94/85/51/572948551.db2.gz YYRXEUMKSOCDQN-UHFFFAOYSA-N 0 0 197.709 3.858 10 0 AHAERN CCCCCC[C@H](C)/C=C(/C)CO ZINC000308215269 572948546 /nfs/dbraw/zinc/94/85/46/572948546.db2.gz ZIYMTRVPZCULEV-AWPPVZKDSA-N 0 0 184.323 3.532 10 0 AHAERN CC[C@H](C)S[C@H](C)c1cccnc1 ZINC000308221869 573010795 /nfs/dbraw/zinc/01/07/95/573010795.db2.gz LOICCKNEAJWZQZ-VHSXEESVSA-N 0 0 195.331 3.674 10 0 AHAERN CC[C@@H](C)S[C@@H](C)c1cccnc1 ZINC000308221871 573007749 /nfs/dbraw/zinc/00/77/49/573007749.db2.gz LOICCKNEAJWZQZ-ZJUUUORDSA-N 0 0 195.331 3.674 10 0 AHAERN CCCc1ccc(CSCC)cc1 ZINC000308245896 573070485 /nfs/dbraw/zinc/07/04/85/573070485.db2.gz VQRTXBSOFWWRSO-UHFFFAOYSA-N 0 0 194.343 3.892 10 0 AHAERN C(CSCc1ccco1)=C1CCC1 ZINC000308249490 573049661 /nfs/dbraw/zinc/04/96/61/573049661.db2.gz DUXFNKOXNGOYCD-UHFFFAOYSA-N 0 0 194.299 3.623 10 0 AHAERN CCC(=O)[C@@H](C)CC1(CC)CCC1 ZINC000308256838 573103095 /nfs/dbraw/zinc/10/30/95/573103095.db2.gz JXIWSOSIGZFLOB-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)[C@H](C)CC1(CC)CCC1 ZINC000308256842 573104534 /nfs/dbraw/zinc/10/45/34/573104534.db2.gz JXIWSOSIGZFLOB-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CCCCC[C@@H](O)CC1(C)CCC1 ZINC000308264260 573108537 /nfs/dbraw/zinc/10/85/37/573108537.db2.gz OHUWQXHKXRTHNH-LLVKDONJSA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC[C@H](O)CC1(C)CCC1 ZINC000308264261 573110223 /nfs/dbraw/zinc/11/02/23/573110223.db2.gz OHUWQXHKXRTHNH-NSHDSACASA-N 0 0 184.323 3.508 10 0 AHAERN CC/C(C)=C(\CC)c1ccccc1N ZINC000308267385 573120121 /nfs/dbraw/zinc/12/01/21/573120121.db2.gz LGTDFBPYOPOMAK-ZHACJKMWSA-N 0 0 189.302 3.862 10 0 AHAERN CCC/C=C/[C@@H](C)Nc1ccccc1 ZINC000308270098 573125079 /nfs/dbraw/zinc/12/50/79/573125079.db2.gz UDYBRWALVKAFCY-UVMWJGKXSA-N 0 0 189.302 3.843 10 0 AHAERN CC(C)/C=C1/c2ccccc2N[C@H]1C ZINC000308273465 573129401 /nfs/dbraw/zinc/12/94/01/573129401.db2.gz HSQDVQAWMGXKHL-MJWAUXSNSA-N 0 0 187.286 3.540 10 0 AHAERN CC(C)/C=C1/c2ccccc2N[C@@H]1C ZINC000308273467 573127720 /nfs/dbraw/zinc/12/77/20/573127720.db2.gz HSQDVQAWMGXKHL-ZDIKFAODSA-N 0 0 187.286 3.540 10 0 AHAERN CCC(C)(C)CSc1ccccn1 ZINC000308294187 573179049 /nfs/dbraw/zinc/17/90/49/573179049.db2.gz JBSGXFMFLJRRDY-UHFFFAOYSA-N 0 0 195.331 3.610 10 0 AHAERN CCCC(=O)c1sc(C)cc1CC ZINC000308294743 573183164 /nfs/dbraw/zinc/18/31/64/573183164.db2.gz HIUVEPGCLVCKPV-UHFFFAOYSA-N 0 0 196.315 3.602 10 0 AHAERN CCC[C@H](C)C(=O)CC1(C)CCC1 ZINC000308329378 573257742 /nfs/dbraw/zinc/25/77/42/573257742.db2.gz JLOKDZZHJAGJHW-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCC[C@@H](C)C(=O)CC1(C)CCC1 ZINC000308329379 573259199 /nfs/dbraw/zinc/25/91/99/573259199.db2.gz JLOKDZZHJAGJHW-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN C/C=C\c1ccc(-c2ccccc2)[nH]1 ZINC000308329511 573258459 /nfs/dbraw/zinc/25/84/59/573258459.db2.gz ANQFTTJNSUQOKN-KXFIGUGUSA-N 0 0 183.254 3.715 10 0 AHAERN CCC[C@@H](O)CCC1(CC)CCC1 ZINC000308330032 573257994 /nfs/dbraw/zinc/25/79/94/573257994.db2.gz JXPMUBFYGJGKJK-LLVKDONJSA-N 0 0 184.323 3.508 10 0 AHAERN CCC[C@H](O)CCC1(CC)CCC1 ZINC000308330035 573258620 /nfs/dbraw/zinc/25/86/20/573258620.db2.gz JXPMUBFYGJGKJK-NSHDSACASA-N 0 0 184.323 3.508 10 0 AHAERN CCCCC(=O)CC1(CC)CCC1 ZINC000308341298 573265487 /nfs/dbraw/zinc/26/54/87/573265487.db2.gz QZYRUPLUEVJWBC-UHFFFAOYSA-N 0 0 182.307 3.716 10 0 AHAERN C[C@H](F)CCSCc1ccccc1 ZINC000308342664 573306686 /nfs/dbraw/zinc/30/66/86/573306686.db2.gz RYBSEQXDDLFTME-JTQLQIEISA-N 0 0 198.306 3.668 10 0 AHAERN C[C@@H](F)CCSCc1ccccc1 ZINC000308342667 573304559 /nfs/dbraw/zinc/30/45/59/573304559.db2.gz RYBSEQXDDLFTME-SNVBAGLBSA-N 0 0 198.306 3.668 10 0 AHAERN CC(=O)CCCC1CCC(C)CC1 ZINC000308344362 573291433 /nfs/dbraw/zinc/29/14/33/573291433.db2.gz UDSFAFCELGLBBR-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC[C@@H](O)CC1(CC)CCC1 ZINC000308345279 573336203 /nfs/dbraw/zinc/33/62/03/573336203.db2.gz UWXOXXOTWUCPBI-LLVKDONJSA-N 0 0 184.323 3.508 10 0 AHAERN CCCC[C@H](O)CC1(CC)CCC1 ZINC000308345280 573336587 /nfs/dbraw/zinc/33/65/87/573336587.db2.gz UWXOXXOTWUCPBI-NSHDSACASA-N 0 0 184.323 3.508 10 0 AHAERN CCC1(CC(=O)CC(C)C)CCC1 ZINC000308347515 573320357 /nfs/dbraw/zinc/32/03/57/573320357.db2.gz WLNIWAZQYKLVPD-UHFFFAOYSA-N 0 0 182.307 3.572 10 0 AHAERN CC(=O)CCC[C@H]1CCC[C@H](C)C1 ZINC000308347968 573318698 /nfs/dbraw/zinc/31/86/98/573318698.db2.gz WOCOSXMSINVMDR-CMPLNLGQSA-N 0 0 182.307 3.572 10 0 AHAERN CC(=O)CCC[C@@H]1CCC[C@H](C)C1 ZINC000308347969 573320409 /nfs/dbraw/zinc/32/04/09/573320409.db2.gz WOCOSXMSINVMDR-JQWIXIFHSA-N 0 0 182.307 3.572 10 0 AHAERN CC(=O)CCC[C@@H]1CCC[C@@H](C)C1 ZINC000308347970 573320962 /nfs/dbraw/zinc/32/09/62/573320962.db2.gz WOCOSXMSINVMDR-PWSUYJOCSA-N 0 0 182.307 3.572 10 0 AHAERN CC(=O)CCC[C@H]1CCC[C@@H](C)C1 ZINC000308347971 573319931 /nfs/dbraw/zinc/31/99/31/573319931.db2.gz WOCOSXMSINVMDR-ZYHUDNBSSA-N 0 0 182.307 3.572 10 0 AHAERN CCC/C=C/Cc1ccc(O)cc1C ZINC000308368494 573362219 /nfs/dbraw/zinc/36/22/19/573362219.db2.gz NGLCBYWSJOKPOK-AATRIKPKSA-N 0 0 190.286 3.599 10 0 AHAERN CC/C=C(/CCC)c1cccc(O)c1 ZINC000308369801 573365178 /nfs/dbraw/zinc/36/51/78/573365178.db2.gz PVLMHFIQGRIFSZ-WDZFZDKYSA-N 0 0 190.286 3.986 10 0 AHAERN C/C=C\CC(C)(C)Nc1ccccc1 ZINC000308371976 573387504 /nfs/dbraw/zinc/38/75/04/573387504.db2.gz SFNBAKDBCADNHF-PLNGDYQASA-N 0 0 189.302 3.843 10 0 AHAERN CCS[C@H](C)c1ccc(OC)cc1 ZINC000308386004 573409708 /nfs/dbraw/zinc/40/97/08/573409708.db2.gz XBQGOIYRSDBISS-SECBINFHSA-N 0 0 196.315 3.509 10 0 AHAERN CCS[C@@H](C)c1ccc(OC)cc1 ZINC000308386007 573413151 /nfs/dbraw/zinc/41/31/51/573413151.db2.gz XBQGOIYRSDBISS-VIFPVBQESA-N 0 0 196.315 3.509 10 0 AHAERN C/C=C\CNc1ccccc1CCC ZINC000308404641 573588800 /nfs/dbraw/zinc/58/88/00/573588800.db2.gz JVHSXLPKFBEQGT-HYXAFXHYSA-N 0 0 189.302 3.627 10 0 AHAERN C/C=C\CNc1ccc(CCC)cc1 ZINC000308405193 573587362 /nfs/dbraw/zinc/58/73/62/573587362.db2.gz LIYQLYLKOVVTTA-HYXAFXHYSA-N 0 0 189.302 3.627 10 0 AHAERN CCC[C@@H](O)/C=C(\C)CCC=C(C)C ZINC000308438836 573802542 /nfs/dbraw/zinc/80/25/42/573802542.db2.gz AJBXSXYNURBOAX-RSKUSDAESA-N 0 0 196.334 3.840 10 0 AHAERN CCC[C@H](O)/C=C(\C)CCC=C(C)C ZINC000308438837 573801795 /nfs/dbraw/zinc/80/17/95/573801795.db2.gz AJBXSXYNURBOAX-XSNHNAGMSA-N 0 0 196.334 3.840 10 0 AHAERN CCC/C=C/[C@H](O)/C=C\CCCCC ZINC000308439417 573803984 /nfs/dbraw/zinc/80/39/84/573803984.db2.gz BFRWMKKAZCOZGO-OWENLADLSA-N 0 0 196.334 3.840 10 0 AHAERN CCC/C=C\[C@H](O)/C=C\CCCCC ZINC000308439419 573806239 /nfs/dbraw/zinc/80/62/39/573806239.db2.gz BFRWMKKAZCOZGO-WZHBMTCRSA-N 0 0 196.334 3.840 10 0 AHAERN C/C(=C/C1CCCCC1)C[C@H](C)CO ZINC000308440646 573793201 /nfs/dbraw/zinc/79/32/01/573793201.db2.gz DHFCGWPWSWBDBC-MMRAYRKESA-N 0 0 196.334 3.532 10 0 AHAERN C/C(=C/C1CCCCC1)C[C@@H](C)CO ZINC000308440647 573796665 /nfs/dbraw/zinc/79/66/65/573796665.db2.gz DHFCGWPWSWBDBC-UCQJPZFISA-N 0 0 196.334 3.532 10 0 AHAERN CCCCC/C=C\[C@H](O)/C=C/C(C)C ZINC000308442814 573801360 /nfs/dbraw/zinc/80/13/60/573801360.db2.gz HJWWKLVTOASOOQ-QDOYMHSMSA-N 0 0 196.334 3.696 10 0 AHAERN CCCCC/C=C\[C@H](O)/C=C\C(C)C ZINC000308442815 573801673 /nfs/dbraw/zinc/80/16/73/573801673.db2.gz HJWWKLVTOASOOQ-WVFLOLOJSA-N 0 0 196.334 3.696 10 0 AHAERN CCCCC/C=C/[C@H](O)/C=C\C(C)C ZINC000308442816 573802591 /nfs/dbraw/zinc/80/25/91/573802591.db2.gz HJWWKLVTOASOOQ-ZWULJYLNSA-N 0 0 196.334 3.696 10 0 AHAERN CCCCCC/C(C)=C/C[C@@H](C)CO ZINC000308444976 573826680 /nfs/dbraw/zinc/82/66/80/573826680.db2.gz AWOZDDYYBMEUDH-CNELAYHGSA-N 0 0 198.350 3.922 10 0 AHAERN CCCCCC/C(C)=C/C[C@H](C)CO ZINC000308444980 573827484 /nfs/dbraw/zinc/82/74/84/573827484.db2.gz AWOZDDYYBMEUDH-SRXBQZRASA-N 0 0 198.350 3.922 10 0 AHAERN CCCCCC/C(C)=C\C[C@H](C)CO ZINC000308444982 573825438 /nfs/dbraw/zinc/82/54/38/573825438.db2.gz AWOZDDYYBMEUDH-SUIFULHWSA-N 0 0 198.350 3.922 10 0 AHAERN C=C=C[C@@H](CCCCC)[C@@H](O)CCC ZINC000308445477 573825316 /nfs/dbraw/zinc/82/53/16/573825316.db2.gz LJRZFYBVGQRUTK-STQMWFEESA-N 0 0 196.334 3.685 10 0 AHAERN CCCCC[C@@H](O)/C=C/C=C\C(C)C ZINC000308446090 573828915 /nfs/dbraw/zinc/82/89/15/573828915.db2.gz LVFFPBYIMXRXEI-BLCDUBFNSA-N 0 0 196.334 3.696 10 0 AHAERN CCCCC[C@H](O)/C=C/C=C\C(C)C ZINC000308446092 573833146 /nfs/dbraw/zinc/83/31/46/573833146.db2.gz LVFFPBYIMXRXEI-SBAZJEMDSA-N 0 0 196.334 3.696 10 0 AHAERN CC(C)=CCC/C=C/CCC[C@H](C)O ZINC000308446816 573822066 /nfs/dbraw/zinc/82/20/66/573822066.db2.gz NCDKFJXSYYMRAQ-IHVVCDCBSA-N 0 0 196.334 3.840 10 0 AHAERN CC(C)=CCC/C=C\CCC[C@H](C)O ZINC000308446818 573819571 /nfs/dbraw/zinc/81/95/71/573819571.db2.gz NCDKFJXSYYMRAQ-ZFDPJTLLSA-N 0 0 196.334 3.840 10 0 AHAERN CCCC/C(C)=C/C=C\[C@@H](O)C(C)C ZINC000308446875 573822850 /nfs/dbraw/zinc/82/28/50/573822850.db2.gz NFXQUPZANFANIY-CAAQQEFKSA-N 0 0 196.334 3.696 10 0 AHAERN CCCC/C(C)=C/C=C/[C@@H](O)C(C)C ZINC000308446878 573821369 /nfs/dbraw/zinc/82/13/69/573821369.db2.gz NFXQUPZANFANIY-QFPRYSGWSA-N 0 0 196.334 3.696 10 0 AHAERN CC(C)C[C@@H](C)C(=O)CC1CCCC1 ZINC000308449879 573840258 /nfs/dbraw/zinc/84/02/58/573840258.db2.gz BXLGGOYADBRDBL-LLVKDONJSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@H](C)C(=O)CC1CCCC1 ZINC000308449880 573844122 /nfs/dbraw/zinc/84/41/22/573844122.db2.gz BXLGGOYADBRDBL-NSHDSACASA-N 0 0 196.334 3.818 10 0 AHAERN C/C=C\[C@@H](O)C[C@H](C)CCC=C(C)C ZINC000308450286 573842968 /nfs/dbraw/zinc/84/29/68/573842968.db2.gz QIWCWJCPQHLGMF-WFMXKNRHSA-N 0 0 196.334 3.696 10 0 AHAERN O[C@H]1C=CCCCCCCCCCC1 ZINC000308450309 573841881 /nfs/dbraw/zinc/84/18/81/573841881.db2.gz QPFZUISGBBUKRA-ZDUSSCGKSA-N 0 0 196.334 3.818 10 0 AHAERN C=C=C(CCC)[C@H](O)CCCCCC ZINC000308450404 573840912 /nfs/dbraw/zinc/84/09/12/573840912.db2.gz QXQBIKDFSFKSDR-CYBMUJFWSA-N 0 0 196.334 3.829 10 0 AHAERN CCCCc1ccc(C(F)F)cc1N ZINC000308451225 573834383 /nfs/dbraw/zinc/83/43/83/573834383.db2.gz AAYBTBFPHKGGSK-UHFFFAOYSA-N 0 0 199.244 3.549 10 0 AHAERN C/C=C\[C@](C)(CCCC)[C@H](O)C(C)C ZINC000308452083 573850035 /nfs/dbraw/zinc/85/00/35/573850035.db2.gz SDHWKYBQSRWFGE-JKOXKOMZSA-N 0 0 198.350 3.776 10 0 AHAERN C/C=C/[C@](C)(CCCC)[C@H](O)C(C)C ZINC000308452084 573847355 /nfs/dbraw/zinc/84/73/55/573847355.db2.gz SDHWKYBQSRWFGE-SKFMMRCFSA-N 0 0 198.350 3.776 10 0 AHAERN OCC1=CCCCCCCCCCC1 ZINC000308453448 573845746 /nfs/dbraw/zinc/84/57/46/573845746.db2.gz ULRZWMIEUCJNBC-UHFFFAOYSA-N 0 0 196.334 3.820 10 0 AHAERN C/C=C\C/C=C/CCCCCCCO ZINC000308454283 573854684 /nfs/dbraw/zinc/85/46/84/573854684.db2.gz UURCMWOHFFCGPF-NDEAWQBTSA-N 0 0 196.334 3.842 10 0 AHAERN C/C=C/C/C=C\CCCCCCCO ZINC000308454285 573853647 /nfs/dbraw/zinc/85/36/47/573853647.db2.gz UURCMWOHFFCGPF-OHAITUNLSA-N 0 0 196.334 3.842 10 0 AHAERN C/C=C\C/C=C\CCCCCCCO ZINC000308454287 573855625 /nfs/dbraw/zinc/85/56/25/573855625.db2.gz UURCMWOHFFCGPF-QFBDUHRLSA-N 0 0 196.334 3.842 10 0 AHAERN C/C=C\CNc1ccc(C)c(CC)c1 ZINC000308455311 573868222 /nfs/dbraw/zinc/86/82/22/573868222.db2.gz KIBZKHFCUATKEO-XQRVVYSFSA-N 0 0 189.302 3.545 10 0 AHAERN C/C=C/[C@H](O)/C=C/C=C\CCCCC ZINC000308455391 573872537 /nfs/dbraw/zinc/87/25/37/573872537.db2.gz WOLZVOBUVDNRGF-HATCCNCASA-N 0 0 194.318 3.616 10 0 AHAERN C/C=C\[C@H](O)/C=C/C=C\CCCCC ZINC000308455392 573868559 /nfs/dbraw/zinc/86/85/59/573868559.db2.gz WOLZVOBUVDNRGF-IANLMIRTSA-N 0 0 194.318 3.616 10 0 AHAERN C/C=C\[C@H](O)/C=C/C=C/CCCCC ZINC000308455394 573867104 /nfs/dbraw/zinc/86/71/04/573867104.db2.gz WOLZVOBUVDNRGF-QJYRRHKFSA-N 0 0 194.318 3.616 10 0 AHAERN CCCCC(=O)c1cccc(F)c1C ZINC000308457004 346304265 /nfs/dbraw/zinc/30/42/65/346304265.db2.gz LZYZFNUJUIIRRL-UHFFFAOYSA-N 0 0 194.249 3.507 10 0 AHAERN CCC(=O)[C@H](C)[C@H]1C=CCCCCC1 ZINC000308458039 573862239 /nfs/dbraw/zinc/86/22/39/573862239.db2.gz NMKAQFLKJBDTLE-NEPJUHHUSA-N 0 0 194.318 3.738 10 0 AHAERN CCC(=O)[C@@H](C)[C@@H]1C=CCCCCC1 ZINC000308458040 573864267 /nfs/dbraw/zinc/86/42/67/573864267.db2.gz NMKAQFLKJBDTLE-NWDGAFQWSA-N 0 0 194.318 3.738 10 0 AHAERN CCC(=O)[C@@H](C)[C@H]1C=CCCCCC1 ZINC000308458041 573865225 /nfs/dbraw/zinc/86/52/25/573865225.db2.gz NMKAQFLKJBDTLE-RYUDHWBXSA-N 0 0 194.318 3.738 10 0 AHAERN CCC(=O)[C@H](C)[C@@H]1C=CCCCCC1 ZINC000308458042 573862346 /nfs/dbraw/zinc/86/23/46/573862346.db2.gz NMKAQFLKJBDTLE-VXGBXAGGSA-N 0 0 194.318 3.738 10 0 AHAERN CCCCC/C=C\[C@H](C)/C=C\CCO ZINC000308458347 573864133 /nfs/dbraw/zinc/86/41/33/573864133.db2.gz YTWJTPSPTXHJBU-FOFMPTFUSA-N 0 0 196.334 3.698 10 0 AHAERN CCCCC/C=C/[C@H](C)/C=C/CCO ZINC000308458348 573862528 /nfs/dbraw/zinc/86/25/28/573862528.db2.gz YTWJTPSPTXHJBU-IMBJYARUSA-N 0 0 196.334 3.698 10 0 AHAERN CCCCC/C=C/[C@H](C)/C=C\CCO ZINC000308458349 573863014 /nfs/dbraw/zinc/86/30/14/573863014.db2.gz YTWJTPSPTXHJBU-NOPRFJNLSA-N 0 0 196.334 3.698 10 0 AHAERN CCCC[C@H](O)C[C@H]1CCC[C@@H](C)C1 ZINC000308458688 573871707 /nfs/dbraw/zinc/87/17/07/573871707.db2.gz COMCBQPPQKTGDH-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](O)C[C@H]1CCC[C@H](C)C1 ZINC000308458689 573867590 /nfs/dbraw/zinc/86/75/90/573867590.db2.gz COMCBQPPQKTGDH-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](O)C[C@@H]1CCC[C@@H](C)C1 ZINC000308458690 573867222 /nfs/dbraw/zinc/86/72/22/573867222.db2.gz COMCBQPPQKTGDH-UPJWGTAASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](O)C[C@@H]1CCC[C@H](C)C1 ZINC000308458691 573870138 /nfs/dbraw/zinc/87/01/38/573870138.db2.gz COMCBQPPQKTGDH-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC/C=C\[C@@H]1CC=Cc2cccn21 ZINC000308459579 573870951 /nfs/dbraw/zinc/87/09/51/573870951.db2.gz CXCVQDUBDBJHRQ-DJFZKKHWSA-N 0 0 187.286 3.802 10 0 AHAERN CCC/C=C\[C@H]1CC=Cc2cccn21 ZINC000308459580 573869079 /nfs/dbraw/zinc/86/90/79/573869079.db2.gz CXCVQDUBDBJHRQ-KMSCOEIWSA-N 0 0 187.286 3.802 10 0 AHAERN CCC[C@@H](O)C[C@@H]1C=CCCCCC1 ZINC000308460763 573873701 /nfs/dbraw/zinc/87/37/01/573873701.db2.gz QUEICDUGVRZYFX-CHWSQXEVSA-N 0 0 196.334 3.674 10 0 AHAERN CCC[C@H](O)C[C@@H]1C=CCCCCC1 ZINC000308460764 573878170 /nfs/dbraw/zinc/87/81/70/573878170.db2.gz QUEICDUGVRZYFX-OLZOCXBDSA-N 0 0 196.334 3.674 10 0 AHAERN CCC[C@@H](O)C[C@H]1C=CCCCCC1 ZINC000308460765 573878080 /nfs/dbraw/zinc/87/80/80/573878080.db2.gz QUEICDUGVRZYFX-QWHCGFSZSA-N 0 0 196.334 3.674 10 0 AHAERN CCC[C@H](O)C[C@H]1C=CCCCCC1 ZINC000308460766 573876600 /nfs/dbraw/zinc/87/66/00/573876600.db2.gz QUEICDUGVRZYFX-STQMWFEESA-N 0 0 196.334 3.674 10 0 AHAERN CC[C@@H](C)SCc1ccc(F)cc1 ZINC000308462293 573910790 /nfs/dbraw/zinc/91/07/90/573910790.db2.gz HXLXCPJDGFPXIO-SECBINFHSA-N 0 0 198.306 3.857 10 0 AHAERN CC[C@H](C)SCc1ccc(F)cc1 ZINC000308462297 573909005 /nfs/dbraw/zinc/90/90/05/573909005.db2.gz HXLXCPJDGFPXIO-VIFPVBQESA-N 0 0 198.306 3.857 10 0 AHAERN CC[C@H](O)[C@H](C)[C@H]1C=CCCCCC1 ZINC000308462445 573909284 /nfs/dbraw/zinc/90/92/84/573909284.db2.gz SKOGOCFYPNDBJY-AGIUHOORSA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H](O)[C@@H](C)[C@H]1C=CCCCCC1 ZINC000308462447 573907256 /nfs/dbraw/zinc/90/72/56/573907256.db2.gz SKOGOCFYPNDBJY-AVGNSLFASA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H](O)[C@H](C)[C@@H]1C=CCCCCC1 ZINC000308462448 573911037 /nfs/dbraw/zinc/91/10/37/573911037.db2.gz SKOGOCFYPNDBJY-UPJWGTAASA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H](O)[C@@H](C)[C@@H]1C=CCCCCC1 ZINC000308462450 573911611 /nfs/dbraw/zinc/91/16/11/573911611.db2.gz SKOGOCFYPNDBJY-XQQFMLRXSA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H](C[C@@H]1CCC[C@H](C)C1)C(C)=O ZINC000308462678 573916624 /nfs/dbraw/zinc/91/66/24/573916624.db2.gz DUOXAEKRSGSVFE-CYZMBNFOSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C[C@H]1CCC[C@@H](C)C1)C(C)=O ZINC000308462680 573918953 /nfs/dbraw/zinc/91/89/53/573918953.db2.gz DUOXAEKRSGSVFE-KGYLQXTDSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C[C@@H]1CCC[C@@H](C)C1)C(C)=O ZINC000308462683 573919966 /nfs/dbraw/zinc/91/99/66/573919966.db2.gz DUOXAEKRSGSVFE-RAIGVLPGSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H](C[C@H]1CCC[C@H](C)C1)C(C)=O ZINC000308462684 573918091 /nfs/dbraw/zinc/91/80/91/573918091.db2.gz DUOXAEKRSGSVFE-WCFLWFBJSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC[C@H](C)CC/C=C/C=C\CO ZINC000308462878 573917692 /nfs/dbraw/zinc/91/76/92/573917692.db2.gz DIGGWFSZGHZHJD-AHCWHZKKSA-N 0 0 196.334 3.698 10 0 AHAERN CCCC[C@H](C)CC/C=C/C=C/CO ZINC000308462879 573917218 /nfs/dbraw/zinc/91/72/18/573917218.db2.gz DIGGWFSZGHZHJD-PPHHVULTSA-N 0 0 196.334 3.698 10 0 AHAERN CC[C@H]([C@@H](C)O)[C@H]1C=CCCCCC1 ZINC000308464297 573925961 /nfs/dbraw/zinc/92/59/61/573925961.db2.gz VCRPBWVRPCKVEN-FRRDWIJNSA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H]([C@@H](C)O)[C@@H]1C=CCCCCC1 ZINC000308464298 573926472 /nfs/dbraw/zinc/92/64/72/573926472.db2.gz VCRPBWVRPCKVEN-JHJVBQTASA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H]([C@H](C)O)[C@H]1C=CCCCCC1 ZINC000308464299 573929646 /nfs/dbraw/zinc/92/96/46/573929646.db2.gz VCRPBWVRPCKVEN-RWMBFGLXSA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H]([C@H](C)O)[C@@H]1C=CCCCCC1 ZINC000308464301 573929326 /nfs/dbraw/zinc/92/93/26/573929326.db2.gz VCRPBWVRPCKVEN-YNEHKIRRSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@H](O)C[C@@H]1C=CCCCCC1 ZINC000308464342 573929919 /nfs/dbraw/zinc/92/99/19/573929919.db2.gz VJUGMNHGLGSVET-CHWSQXEVSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@@H](O)C[C@@H]1C=CCCCCC1 ZINC000308464343 573929461 /nfs/dbraw/zinc/92/94/61/573929461.db2.gz VJUGMNHGLGSVET-OLZOCXBDSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@H](O)C[C@H]1C=CCCCCC1 ZINC000308464344 573928791 /nfs/dbraw/zinc/92/87/91/573928791.db2.gz VJUGMNHGLGSVET-QWHCGFSZSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@@H](O)C[C@H]1C=CCCCCC1 ZINC000308464345 573926989 /nfs/dbraw/zinc/92/69/89/573926989.db2.gz VJUGMNHGLGSVET-STQMWFEESA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C(=O)C[C@@H]1C=CCCCCC1 ZINC000308465312 346305268 /nfs/dbraw/zinc/30/52/68/346305268.db2.gz WVJMGSGZPPBHHM-GFCCVEGCSA-N 0 0 194.318 3.738 10 0 AHAERN CC(C)C(=O)C[C@H]1C=CCCCCC1 ZINC000308465316 346305218 /nfs/dbraw/zinc/30/52/18/346305218.db2.gz WVJMGSGZPPBHHM-LBPRGKRZSA-N 0 0 194.318 3.738 10 0 AHAERN CCCCC(=O)CC1CCC(C)CC1 ZINC000308465526 573933179 /nfs/dbraw/zinc/93/31/79/573933179.db2.gz GCNNFVNCWFAQCO-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)C[C@@H]1C=CCCCCC1 ZINC000308467436 573939444 /nfs/dbraw/zinc/93/94/44/573939444.db2.gz ZUNIGBZUTHFBBO-GFCCVEGCSA-N 0 0 194.318 3.882 10 0 AHAERN CCCC(=O)C[C@H]1C=CCCCCC1 ZINC000308467437 573939336 /nfs/dbraw/zinc/93/93/36/573939336.db2.gz ZUNIGBZUTHFBBO-LBPRGKRZSA-N 0 0 194.318 3.882 10 0 AHAERN CCCCCCC1=C[C@@H](O)C[C@@H](C)C1 ZINC000308469277 573945178 /nfs/dbraw/zinc/94/51/78/573945178.db2.gz HLHABQJIFVTMRF-AAEUAGOBSA-N 0 0 196.334 3.674 10 0 AHAERN CCCCCCC1=C[C@H](O)C[C@H](C)C1 ZINC000308469278 573946078 /nfs/dbraw/zinc/94/60/78/573946078.db2.gz HLHABQJIFVTMRF-DGCLKSJQSA-N 0 0 196.334 3.674 10 0 AHAERN CCCCCCC1=C[C@H](O)C[C@@H](C)C1 ZINC000308469279 573943737 /nfs/dbraw/zinc/94/37/37/573943737.db2.gz HLHABQJIFVTMRF-WCQYABFASA-N 0 0 196.334 3.674 10 0 AHAERN CCCCCCC1=C[C@@H](O)C[C@H](C)C1 ZINC000308469280 573945792 /nfs/dbraw/zinc/94/57/92/573945792.db2.gz HLHABQJIFVTMRF-YPMHNXCESA-N 0 0 196.334 3.674 10 0 AHAERN CCCC1([C@H](O)CCC(C)(C)C)CC1 ZINC000308470093 573943813 /nfs/dbraw/zinc/94/38/13/573943813.db2.gz BKIFQXOTDKVHNG-LLVKDONJSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC1([C@@H](O)CCC(C)(C)C)CC1 ZINC000308470094 573944133 /nfs/dbraw/zinc/94/41/33/573944133.db2.gz BKIFQXOTDKVHNG-NSHDSACASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)[C@@H](O)CC1CCC(C)CC1 ZINC000308470782 573944931 /nfs/dbraw/zinc/94/49/31/573944931.db2.gz HXWUDLJNAIUZBS-KPFVRQRISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@@H](O)CC1CCC(C)CC1 ZINC000308470784 573943709 /nfs/dbraw/zinc/94/37/09/573943709.db2.gz HXWUDLJNAIUZBS-MVKMKZAISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)[C@H](O)CC1CCC(C)CC1 ZINC000308470786 573944233 /nfs/dbraw/zinc/94/42/33/573944233.db2.gz HXWUDLJNAIUZBS-POOIEITISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@H](O)CC1CCC(C)CC1 ZINC000308470788 573943470 /nfs/dbraw/zinc/94/34/70/573943470.db2.gz HXWUDLJNAIUZBS-PYNQCMFNSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H](C)SCc1cccc(F)c1 ZINC000308471851 573958695 /nfs/dbraw/zinc/95/86/95/573958695.db2.gz KTNDAZJSDNVPTG-SECBINFHSA-N 0 0 198.306 3.857 10 0 AHAERN CC[C@H](C)SCc1cccc(F)c1 ZINC000308471852 573956892 /nfs/dbraw/zinc/95/68/92/573956892.db2.gz KTNDAZJSDNVPTG-VIFPVBQESA-N 0 0 198.306 3.857 10 0 AHAERN CCCC[C@H](CC)C[C@@]1(O)CC[C@H]1C ZINC000308474101 573009145 /nfs/dbraw/zinc/00/91/45/573009145.db2.gz CZFSLYXNRZLFJL-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@@]1(O)CC[C@@H]1C ZINC000308474102 573010528 /nfs/dbraw/zinc/01/05/28/573010528.db2.gz CZFSLYXNRZLFJL-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@]1(O)CC[C@H]1C ZINC000308474103 573011173 /nfs/dbraw/zinc/01/11/73/573011173.db2.gz CZFSLYXNRZLFJL-FRRDWIJNSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](CC)C[C@]1(O)CC[C@@H]1C ZINC000308474104 573008818 /nfs/dbraw/zinc/00/88/18/573008818.db2.gz CZFSLYXNRZLFJL-RWMBFGLXSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](O)[C@H](C)C[C@@H]1CCC[C@H](C)C1 ZINC000308474925 573012555 /nfs/dbraw/zinc/01/25/55/573012555.db2.gz JCCAKNJFVXMSKW-LOWDOPEQSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](O)[C@H](C)C[C@H]1CCC[C@@H](C)C1 ZINC000308474929 573012599 /nfs/dbraw/zinc/01/25/99/573012599.db2.gz JCCAKNJFVXMSKW-NDBYEHHHSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](O)[C@H](C)C[C@H]1CCC[C@H](C)C1 ZINC000308474930 573013270 /nfs/dbraw/zinc/01/32/70/573013270.db2.gz JCCAKNJFVXMSKW-RNJOBUHISA-N 0 0 198.350 3.610 10 0 AHAERN CC(=O)CC(C)(C)CC1(C)CCCC1 ZINC000308474971 573010627 /nfs/dbraw/zinc/01/06/27/573010627.db2.gz DFNOQNMFSZBFSA-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC1([C@H](O)CCCC(C)C)CC1 ZINC000308475600 573017488 /nfs/dbraw/zinc/01/74/88/573017488.db2.gz DPQXCIXKMNSESM-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC1([C@@H](O)CCCC(C)C)CC1 ZINC000308475601 573015833 /nfs/dbraw/zinc/01/58/33/573015833.db2.gz DPQXCIXKMNSESM-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(=O)CCCC1CCC(C)CC1 ZINC000308476200 573014928 /nfs/dbraw/zinc/01/49/28/573014928.db2.gz JOYBDKMTCNUELI-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@](O)([C@@H](C)CC(C)C)C1CC1 ZINC000308476597 573000006 /nfs/dbraw/zinc/00/00/06/573000006.db2.gz LHRQVZLUMMFGKD-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@](O)([C@H](C)CC(C)C)C1CC1 ZINC000308476598 573001709 /nfs/dbraw/zinc/00/17/09/573001709.db2.gz LHRQVZLUMMFGKD-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@](O)([C@@H](C)CC(C)C)C1CC1 ZINC000308476599 572999275 /nfs/dbraw/zinc/99/92/75/572999275.db2.gz LHRQVZLUMMFGKD-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@](O)([C@H](C)CC(C)C)C1CC1 ZINC000308476600 573000889 /nfs/dbraw/zinc/00/08/89/573000889.db2.gz LHRQVZLUMMFGKD-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)/C=C/C=C(/C)C[C@@H](C)CO ZINC000308478623 573028154 /nfs/dbraw/zinc/02/81/54/573028154.db2.gz VKZOCPRFYFCBGX-XASRZOTJSA-N 0 0 196.334 3.554 10 0 AHAERN CC[C@@H](O)CCC1CCC(C)(C)CC1 ZINC000308478842 573025152 /nfs/dbraw/zinc/02/51/52/573025152.db2.gz KOPIRGQNJSWBSZ-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](O)CCC1CCC(C)(C)CC1 ZINC000308478843 573024821 /nfs/dbraw/zinc/02/48/21/573024821.db2.gz KOPIRGQNJSWBSZ-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](CO)C[C@H]1CCC[C@@H](C)C1 ZINC000308478897 573027592 /nfs/dbraw/zinc/02/75/92/573027592.db2.gz KPQOJUUMDLNYGD-AGIUHOORSA-N 0 0 198.350 3.611 10 0 AHAERN CCC[C@H](CO)C[C@H]1CCC[C@H](C)C1 ZINC000308478899 573028096 /nfs/dbraw/zinc/02/80/96/573028096.db2.gz KPQOJUUMDLNYGD-AVGNSLFASA-N 0 0 198.350 3.611 10 0 AHAERN CCC[C@H](CO)C[C@@H]1CCC[C@@H](C)C1 ZINC000308478901 573025885 /nfs/dbraw/zinc/02/58/85/573025885.db2.gz KPQOJUUMDLNYGD-UPJWGTAASA-N 0 0 198.350 3.611 10 0 AHAERN CCC[C@H](CO)C[C@@H]1CCC[C@H](C)C1 ZINC000308478903 573027968 /nfs/dbraw/zinc/02/79/68/573027968.db2.gz KPQOJUUMDLNYGD-XQQFMLRXSA-N 0 0 198.350 3.611 10 0 AHAERN CCC(O)(CC)CC1CCC(C)CC1 ZINC000308479306 573030190 /nfs/dbraw/zinc/03/01/90/573030190.db2.gz KTLVQBUFBJLBEW-UHFFFAOYSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CC[C@](C)(O)CCC1CC1 ZINC000308480076 573015359 /nfs/dbraw/zinc/01/53/59/573015359.db2.gz MJZLKGDLKLENNL-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)CC[C@@](C)(O)CCC1CC1 ZINC000308480078 573014152 /nfs/dbraw/zinc/01/41/52/573014152.db2.gz MJZLKGDLKLENNL-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN Cc1cccc(O[C@@H](C)CC(C)C)c1 ZINC000308484541 573021548 /nfs/dbraw/zinc/02/15/48/573021548.db2.gz OGBZHABUFMHFDN-LBPRGKRZSA-N 0 0 192.302 3.808 10 0 AHAERN CCCC(=O)C(C1CCC1)C1CCC1 ZINC000308484729 573020717 /nfs/dbraw/zinc/02/07/17/573020717.db2.gz OJFQLUFXNYIPCH-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN CC(=O)CCCC1CCC(C)(C)CC1 ZINC000308485086 573022185 /nfs/dbraw/zinc/02/21/85/573022185.db2.gz NCEHLUIWRCKWKC-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN C[C@@H](O)C[C@H](C)CC1CCC(C)CC1 ZINC000308485127 573022800 /nfs/dbraw/zinc/02/28/00/573022800.db2.gz NEDOGYWAOYDDNW-CMOBGSAGSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H](O)C[C@@H](C)CC1CCC(C)CC1 ZINC000308485131 573022133 /nfs/dbraw/zinc/02/21/33/573022133.db2.gz NEDOGYWAOYDDNW-QZQSVVMZSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H](C[C@H](C)O)CC1CCC(C)CC1 ZINC000308485134 573021196 /nfs/dbraw/zinc/02/11/96/573021196.db2.gz NEDOGYWAOYDDNW-ZFQMDJOTSA-N 0 0 198.350 3.610 10 0 AHAERN CCCCCC[C@]1(O)CCC[C@@H]2C[C@@H]21 ZINC000308487336 573052372 /nfs/dbraw/zinc/05/23/72/573052372.db2.gz PICVBCOZMSXODS-AGIUHOORSA-N 0 0 196.334 3.508 10 0 AHAERN CCCCCC[C@]1(O)CCC[C@H]2C[C@H]21 ZINC000308487339 573052186 /nfs/dbraw/zinc/05/21/86/573052186.db2.gz PICVBCOZMSXODS-XQQFMLRXSA-N 0 0 196.334 3.508 10 0 AHAERN CCC(=O)[C@H](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000308487445 573061300 /nfs/dbraw/zinc/06/13/00/573061300.db2.gz OBACGIAOHSSVBP-IJLUTSLNSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H](C)C[C@@H]1CCC[C@H](C)C1 ZINC000308487447 573060712 /nfs/dbraw/zinc/06/07/12/573060712.db2.gz OBACGIAOHSSVBP-QJPTWQEYSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H](C)C[C@H]1CCC[C@H](C)C1 ZINC000308487448 573060177 /nfs/dbraw/zinc/06/01/77/573060177.db2.gz OBACGIAOHSSVBP-TUAOUCFPSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(=O)[C@H](C)C[C@H]1CCC[C@@H](C)C1 ZINC000308487449 573057902 /nfs/dbraw/zinc/05/79/02/573057902.db2.gz OBACGIAOHSSVBP-UTUOFQBUSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1CCC[C@]1(O)[C@H](C)CC(C)C ZINC000308491546 573081006 /nfs/dbraw/zinc/08/10/06/573081006.db2.gz QXYDOYUCAWAJHL-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCC[C@]1(O)[C@@H](C)CC(C)C ZINC000308491548 573078498 /nfs/dbraw/zinc/07/84/98/573078498.db2.gz QXYDOYUCAWAJHL-XQQFMLRXSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@H]1CCC[C@@]1(O)[C@@H](C)CC(C)C ZINC000308491550 573080730 /nfs/dbraw/zinc/08/07/30/573080730.db2.gz QXYDOYUCAWAJHL-YNEHKIRRSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1(CCC(=O)CC(C)C)CCC1 ZINC000308492288 573079346 /nfs/dbraw/zinc/07/93/46/573079346.db2.gz AIAPOOITCSYLPY-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN C/C=C\c1ccc(NCC(C)C)cc1 ZINC000308492301 573080967 /nfs/dbraw/zinc/08/09/67/573080967.db2.gz CBELKHWTZXHDFG-PLNGDYQASA-N 0 0 189.302 3.788 10 0 AHAERN CCC1(CC(=O)C2CCCC2)CCC1 ZINC000308492677 573063173 /nfs/dbraw/zinc/06/31/73/573063173.db2.gz AKQAYERPDWKTPH-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CC(C)=CCC[C@@H](C)C[C@H](C)CCO ZINC000308496156 573107425 /nfs/dbraw/zinc/10/74/25/573107425.db2.gz WIHCVJLBAVBRBJ-CHWSQXEVSA-N 0 0 198.350 3.778 10 0 AHAERN CC(C)=CCC[C@@H](C)C[C@@H](C)CCO ZINC000308496157 573110633 /nfs/dbraw/zinc/11/06/33/573110633.db2.gz WIHCVJLBAVBRBJ-OLZOCXBDSA-N 0 0 198.350 3.778 10 0 AHAERN CC(C)=CCC[C@H](C)C[C@H](C)CCO ZINC000308496159 573106902 /nfs/dbraw/zinc/10/69/02/573106902.db2.gz WIHCVJLBAVBRBJ-QWHCGFSZSA-N 0 0 198.350 3.778 10 0 AHAERN CC(C)C[C@H](C)C(=O)[C@@H]1CCC[C@H]1C ZINC000308497063 573083237 /nfs/dbraw/zinc/08/32/37/573083237.db2.gz TYLMQGNVXVCDKZ-GRYCIOLGSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H](C)C(=O)[C@@H]1CCC[C@@H]1C ZINC000308497065 573082914 /nfs/dbraw/zinc/08/29/14/573082914.db2.gz TYLMQGNVXVCDKZ-SDDRHHMPSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H](C)C(=O)[C@H]1CCC[C@@H]1C ZINC000308497066 573084773 /nfs/dbraw/zinc/08/47/73/573084773.db2.gz TYLMQGNVXVCDKZ-SRVKXCTJSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C[C@H](C)C(=O)[C@H]1CCC[C@H]1C ZINC000308497067 573084917 /nfs/dbraw/zinc/08/49/17/573084917.db2.gz TYLMQGNVXVCDKZ-WOPDTQHZSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)C(C(=O)CCC1CC1)C(C)C ZINC000308498039 573087494 /nfs/dbraw/zinc/08/74/94/573087494.db2.gz UMRSWAPQMQMGEP-UHFFFAOYSA-N 0 0 196.334 3.674 10 0 AHAERN CCCCC(O)(C1CCC1)C1CCC1 ZINC000308503093 573146122 /nfs/dbraw/zinc/14/61/22/573146122.db2.gz XOFFKWAJQZEJSE-UHFFFAOYSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)C[C@H](O)[C@@H](C)C1CCCCC1 ZINC000308503197 573143710 /nfs/dbraw/zinc/14/37/10/573143710.db2.gz BKNGMPWLWWOPDB-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](O)[C@H](C)C1CCCCC1 ZINC000308503198 573143022 /nfs/dbraw/zinc/14/30/22/573143022.db2.gz BKNGMPWLWWOPDB-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](O)[C@@H](C)C1CCCCC1 ZINC000308503199 573146854 /nfs/dbraw/zinc/14/68/54/573146854.db2.gz BKNGMPWLWWOPDB-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](O)[C@H](C)C1CCCCC1 ZINC000308503200 573147204 /nfs/dbraw/zinc/14/72/04/573147204.db2.gz BKNGMPWLWWOPDB-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC[C@@](C)(O)C1=CCCCC1 ZINC000308506412 573154459 /nfs/dbraw/zinc/15/44/59/573154459.db2.gz ZCGQORSWLBWKFR-CYBMUJFWSA-N 0 0 196.334 3.674 10 0 AHAERN CC(C)CC[C@](C)(O)C1=CCCCC1 ZINC000308506414 573156622 /nfs/dbraw/zinc/15/66/22/573156622.db2.gz ZCGQORSWLBWKFR-ZDUSSCGKSA-N 0 0 196.334 3.674 10 0 AHAERN CCCCC(=O)[C@@H]1CC2CCC1CC2 ZINC000308510920 573162857 /nfs/dbraw/zinc/16/28/57/573162857.db2.gz JPJJFLFJHQKEOP-HTAVTVPLSA-N 0 0 194.318 3.572 10 0 AHAERN CCCCC(=O)[C@H]1CC2CCC1CC2 ZINC000308510921 573163041 /nfs/dbraw/zinc/16/30/41/573163041.db2.gz JPJJFLFJHQKEOP-MCIGGMRASA-N 0 0 194.318 3.572 10 0 AHAERN CCC(CC)C(=O)C(C(C)C)C(C)C ZINC000308519016 573223371 /nfs/dbraw/zinc/22/33/71/573223371.db2.gz GTBUMZIPNMIEGE-UHFFFAOYSA-N 0 0 198.350 3.920 10 0 AHAERN CCC[C@@](O)(CCCC(C)C)C1CC1 ZINC000308520490 573229476 /nfs/dbraw/zinc/22/94/76/573229476.db2.gz HKPWBYPPKYHASR-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@](O)(CCCC(C)C)C1CC1 ZINC000308520494 573226151 /nfs/dbraw/zinc/22/61/51/573226151.db2.gz HKPWBYPPKYHASR-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)[C@@H](O)[C@H](C)C1CCCCC1 ZINC000308520523 573229387 /nfs/dbraw/zinc/22/93/87/573229387.db2.gz RVOOQSFUGGZSDI-DMDPSCGWSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@@H](O)[C@@H](C)C1CCCCC1 ZINC000308520524 573226726 /nfs/dbraw/zinc/22/67/26/573226726.db2.gz RVOOQSFUGGZSDI-GMXVVIOVSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@H](O)[C@@H](C)C1CCCCC1 ZINC000308520526 573226551 /nfs/dbraw/zinc/22/65/51/573226551.db2.gz RVOOQSFUGGZSDI-GVXVVHGQSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)[C@H](O)[C@H](C)C1CCCCC1 ZINC000308520527 573226989 /nfs/dbraw/zinc/22/69/89/573226989.db2.gz RVOOQSFUGGZSDI-LOWVWBTDSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)COc1ccc(C)c(C)c1 ZINC000308522512 573248048 /nfs/dbraw/zinc/24/80/48/573248048.db2.gz YTZVCVYTLOQYPJ-JTQLQIEISA-N 0 0 192.302 3.728 10 0 AHAERN CC[C@@H](C)COc1ccc(C)c(C)c1 ZINC000308522513 573248278 /nfs/dbraw/zinc/24/82/78/573248278.db2.gz YTZVCVYTLOQYPJ-SNVBAGLBSA-N 0 0 192.302 3.728 10 0 AHAERN CCC[C@](O)(CC1CCCC1)C1CC1 ZINC000308524762 573232136 /nfs/dbraw/zinc/23/21/36/573232136.db2.gz IOZYQODQTJPCQV-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN Cc1cn(CCCC(C)(C)C)cc1C ZINC000308526579 573237553 /nfs/dbraw/zinc/23/75/53/573237553.db2.gz IYKKZPMQKSRAFL-UHFFFAOYSA-N 0 0 193.334 3.931 10 0 AHAERN CC(C)C/C=C/[C@@H](O)C1CCCCC1 ZINC000308527423 573235463 /nfs/dbraw/zinc/23/54/63/573235463.db2.gz BHDDJRLMRLCYTD-BCRSCGJKSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C/C=C\[C@H](O)C1CCCCC1 ZINC000308527424 573236986 /nfs/dbraw/zinc/23/69/86/573236986.db2.gz BHDDJRLMRLCYTD-HKBVPSITSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C/C=C/[C@H](O)C1CCCCC1 ZINC000308527425 573237775 /nfs/dbraw/zinc/23/77/75/573237775.db2.gz BHDDJRLMRLCYTD-PPOCWRSBSA-N 0 0 196.334 3.530 10 0 AHAERN C[C@@](O)(CC1CC1)CC1(C)CCCC1 ZINC000308527545 573238728 /nfs/dbraw/zinc/23/87/28/573238728.db2.gz JODHJDYFFBZNCQ-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN C/C(=C/[C@H](C)C1CCCCC1)[C@@H](C)O ZINC000308527707 573236845 /nfs/dbraw/zinc/23/68/45/573236845.db2.gz YEQNARMYJZMRLC-QMZLHQMTSA-N 0 0 196.334 3.530 10 0 AHAERN C/C(=C/[C@H](C)C1CCCCC1)[C@H](C)O ZINC000308527709 573235213 /nfs/dbraw/zinc/23/52/13/573235213.db2.gz YEQNARMYJZMRLC-XJNROGLQSA-N 0 0 196.334 3.530 10 0 AHAERN CC[C@H](/C=C/C1CCCCC1)CCO ZINC000308528310 573239181 /nfs/dbraw/zinc/23/91/81/573239181.db2.gz BPXSIIKERXRGSB-IDVQTMNDSA-N 0 0 196.334 3.532 10 0 AHAERN CC[C@H](/C=C\C1CCCCC1)CCO ZINC000308528316 573237837 /nfs/dbraw/zinc/23/78/37/573237837.db2.gz BPXSIIKERXRGSB-JLVNDZCYSA-N 0 0 196.334 3.532 10 0 AHAERN CC[C@@H](/C=C\C1CCCCC1)CCO ZINC000308528321 573236072 /nfs/dbraw/zinc/23/60/72/573236072.db2.gz BPXSIIKERXRGSB-LAUAKBEESA-N 0 0 196.334 3.532 10 0 AHAERN CCC[C@@H](CO)CC1CCC(C)CC1 ZINC000308531007 573264337 /nfs/dbraw/zinc/26/43/37/573264337.db2.gz QQXWSKVXOSTAOF-WXRRBKDZSA-N 0 0 198.350 3.611 10 0 AHAERN CCCC1(C(=O)[C@H](C)CC(C)C)CC1 ZINC000308536293 573276200 /nfs/dbraw/zinc/27/62/00/573276200.db2.gz MIPXGZPSJRIBEA-LLVKDONJSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC1(C(=O)[C@@H](C)CC(C)C)CC1 ZINC000308536296 573276779 /nfs/dbraw/zinc/27/67/79/573276779.db2.gz MIPXGZPSJRIBEA-NSHDSACASA-N 0 0 196.334 3.818 10 0 AHAERN CCCC(=O)CC1CCC(C)(C)CC1 ZINC000308539130 573285263 /nfs/dbraw/zinc/28/52/63/573285263.db2.gz SQLTWKSOUFKTCP-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC[C@@](O)(CCC(C)C)C1CC1 ZINC000308539592 573281812 /nfs/dbraw/zinc/28/18/12/573281812.db2.gz MITRHWXTVJQAAO-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@](O)(CCC(C)C)C1CC1 ZINC000308539594 573283356 /nfs/dbraw/zinc/28/33/56/573283356.db2.gz MITRHWXTVJQAAO-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC1(CNc2ccccc2)CC1 ZINC000308540870 573303360 /nfs/dbraw/zinc/30/33/60/573303360.db2.gz NYIDGXIXCTUAKZ-UHFFFAOYSA-N 0 0 189.302 3.679 10 0 AHAERN CCC[C@@H](O)CC1CCC(C)(C)CC1 ZINC000308541600 573288864 /nfs/dbraw/zinc/28/88/64/573288864.db2.gz UKUPBZDOVLGLAL-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](O)CC1CCC(C)(C)CC1 ZINC000308541602 573289415 /nfs/dbraw/zinc/28/94/15/573289415.db2.gz UKUPBZDOVLGLAL-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN C/C=C\c1ccc(NCC2CC2)cc1 ZINC000308541630 573289234 /nfs/dbraw/zinc/28/92/34/573289234.db2.gz UTLGUAVJZWGTSS-IHWYPQMZSA-N 0 0 187.286 3.542 10 0 AHAERN CC[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@@H](C)O ZINC000308545895 573312061 /nfs/dbraw/zinc/31/20/61/573312061.db2.gz VQZLUUVGPZYZRW-FDYHWXHSSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C[C@@H]1CCC[C@H](C)C1)[C@@H](C)O ZINC000308545897 573311515 /nfs/dbraw/zinc/31/15/15/573311515.db2.gz VQZLUUVGPZYZRW-UMSGYPCISA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C[C@@H]1CCC[C@H](C)C1)[C@H](C)O ZINC000308545899 573314586 /nfs/dbraw/zinc/31/45/86/573314586.db2.gz VQZLUUVGPZYZRW-WUHRBBMRSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@H](C)O ZINC000308545900 573314391 /nfs/dbraw/zinc/31/43/91/573314391.db2.gz VQZLUUVGPZYZRW-YVECIDJPSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1(C(=O)CCCC(C)(C)C)CC1 ZINC000308547271 573311642 /nfs/dbraw/zinc/31/16/42/573311642.db2.gz QDHNCQLEHWFQHA-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@](O)(CC(CC)CC)C1CC1 ZINC000308547566 573303018 /nfs/dbraw/zinc/30/30/18/573303018.db2.gz OOQACWKFPPZADP-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC1(C(=O)CC2CCCC2)CC1 ZINC000308547763 573300767 /nfs/dbraw/zinc/30/07/67/573300767.db2.gz QHRYXUMCIHBZHB-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CC(C)CCCC1=C[C@@H](O)C[C@@H](C)C1 ZINC000308549583 573329962 /nfs/dbraw/zinc/32/99/62/573329962.db2.gz WYRFVKATAZGDCK-AAEUAGOBSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)CCCC1=C[C@H](O)C[C@H](C)C1 ZINC000308549584 573327878 /nfs/dbraw/zinc/32/78/78/573327878.db2.gz WYRFVKATAZGDCK-DGCLKSJQSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)CCCC1=C[C@H](O)C[C@@H](C)C1 ZINC000308549585 573326804 /nfs/dbraw/zinc/32/68/04/573326804.db2.gz WYRFVKATAZGDCK-WCQYABFASA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)CCCC1=C[C@@H](O)C[C@H](C)C1 ZINC000308549586 573331862 /nfs/dbraw/zinc/33/18/62/573331862.db2.gz WYRFVKATAZGDCK-YPMHNXCESA-N 0 0 196.334 3.530 10 0 AHAERN CCC[C@](C)(O)C[C@H]1CCC[C@@H](C)C1 ZINC000308551587 573317535 /nfs/dbraw/zinc/31/75/35/573317535.db2.gz XSHBXCMVTYSXQX-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@](C)(O)C[C@H]1CCC[C@H](C)C1 ZINC000308551590 573316523 /nfs/dbraw/zinc/31/65/23/573316523.db2.gz XSHBXCMVTYSXQX-AVGNSLFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@](C)(O)C[C@@H]1CCC[C@@H](C)C1 ZINC000308551593 573316302 /nfs/dbraw/zinc/31/63/02/573316302.db2.gz XSHBXCMVTYSXQX-UPJWGTAASA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@](C)(O)C[C@@H]1CCC[C@H](C)C1 ZINC000308551595 573318237 /nfs/dbraw/zinc/31/82/37/573318237.db2.gz XSHBXCMVTYSXQX-XQQFMLRXSA-N 0 0 198.350 3.754 10 0 AHAERN Cc1cn(C[C@@H](C)CC(C)C)cc1C ZINC000308551887 573318524 /nfs/dbraw/zinc/31/85/24/573318524.db2.gz QMYUZNSAQSNARY-NSHDSACASA-N 0 0 193.334 3.787 10 0 AHAERN CCCC[C@H](O)CC1CCC(C)CC1 ZINC000308552035 573318941 /nfs/dbraw/zinc/31/89/41/573318941.db2.gz XVMFLLXLNUVCSX-BPCQOVAHSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](O)CC1CCC(C)CC1 ZINC000308552037 573317821 /nfs/dbraw/zinc/31/78/21/573317821.db2.gz XVMFLLXLNUVCSX-WXRRBKDZSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)CC[C@@](O)(C1CC1)C(C)(C)C ZINC000308552225 573317237 /nfs/dbraw/zinc/31/72/37/573317237.db2.gz QPTLJCUKGWFDMM-CYBMUJFWSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C)C(=O)CC1CCC(C)CC1 ZINC000308555358 573341661 /nfs/dbraw/zinc/34/16/61/573341661.db2.gz ZKXYXVCXTSXKKC-CXQJBGSLSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H](C)C(=O)CC1CCC(C)CC1 ZINC000308555361 573340745 /nfs/dbraw/zinc/34/07/45/573340745.db2.gz ZKXYXVCXTSXKKC-MOENNCHZSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)=C[C@](O)(CCC(C)C)C1CC1 ZINC000308555463 573341852 /nfs/dbraw/zinc/34/18/52/573341852.db2.gz RYIMQCNYYXOPFC-CYBMUJFWSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)=C[C@@](O)(CCC(C)C)C1CC1 ZINC000308555466 573339578 /nfs/dbraw/zinc/33/95/78/573339578.db2.gz RYIMQCNYYXOPFC-ZDUSSCGKSA-N 0 0 196.334 3.530 10 0 AHAERN CCC[C@H](C)CC1=C[C@H](O)C[C@H](C)C1 ZINC000308556046 573339868 /nfs/dbraw/zinc/33/98/68/573339868.db2.gz ZZAWSDZGXSAMCU-DMDPSCGWSA-N 0 0 196.334 3.530 10 0 AHAERN CCC[C@H](C)CC1=C[C@H](O)C[C@@H](C)C1 ZINC000308556048 573340526 /nfs/dbraw/zinc/34/05/26/573340526.db2.gz ZZAWSDZGXSAMCU-GMXVVIOVSA-N 0 0 196.334 3.530 10 0 AHAERN CCC[C@H](C)CC1=C[C@@H](O)C[C@@H](C)C1 ZINC000308556052 573345501 /nfs/dbraw/zinc/34/55/01/573345501.db2.gz ZZAWSDZGXSAMCU-GVXVVHGQSA-N 0 0 196.334 3.530 10 0 AHAERN CCC[C@H](C)CC1=C[C@@H](O)C[C@H](C)C1 ZINC000308556054 573346502 /nfs/dbraw/zinc/34/65/02/573346502.db2.gz ZZAWSDZGXSAMCU-LOWVWBTDSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)CC[C@@](O)(CC(C)C)C1CC1 ZINC000308557477 573344118 /nfs/dbraw/zinc/34/41/18/573344118.db2.gz TYMURPVMFMMVOB-CYBMUJFWSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC[C@](O)(CC(C)C)C1CC1 ZINC000308557478 573348533 /nfs/dbraw/zinc/34/85/33/573348533.db2.gz TYMURPVMFMMVOB-ZDUSSCGKSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1(C[C@H](O)CCC(C)C)CCC1 ZINC000308558452 573353098 /nfs/dbraw/zinc/35/30/98/573353098.db2.gz CPHVHMIOSVTTGH-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CCC1(C[C@@H](O)CCC(C)C)CCC1 ZINC000308558453 573352154 /nfs/dbraw/zinc/35/21/54/573352154.db2.gz CPHVHMIOSVTTGH-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CCC1(C[C@H](C(C)C)[C@H](C)O)CCC1 ZINC000308558506 573352235 /nfs/dbraw/zinc/35/22/35/573352235.db2.gz CRXUGEKIAGFOJH-NWDGAFQWSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1(C[C@@H](C(C)C)[C@H](C)O)CCC1 ZINC000308558507 573351118 /nfs/dbraw/zinc/35/11/18/573351118.db2.gz CRXUGEKIAGFOJH-RYUDHWBXSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1(C[C@H](C(C)C)[C@@H](C)O)CCC1 ZINC000308558509 573352669 /nfs/dbraw/zinc/35/26/69/573352669.db2.gz CRXUGEKIAGFOJH-VXGBXAGGSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1([C@H](O)CC2CCCCC2)CC1 ZINC000308558621 573351221 /nfs/dbraw/zinc/35/12/21/573351221.db2.gz VUMHNMVGQWHCDH-GFCCVEGCSA-N 0 0 196.334 3.508 10 0 AHAERN CCC1([C@@H](O)CC2CCCCC2)CC1 ZINC000308558622 573349992 /nfs/dbraw/zinc/34/99/92/573349992.db2.gz VUMHNMVGQWHCDH-LBPRGKRZSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)(C)CCC(=O)CC1(C)CCC1 ZINC000308558707 573351700 /nfs/dbraw/zinc/35/17/00/573351700.db2.gz CUPOUQCQNBEKAI-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@@H](C)C[C@H](O)C1(CCC)CC1 ZINC000308560227 573335184 /nfs/dbraw/zinc/33/51/84/573335184.db2.gz WVFPCHWDCKKMON-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@@H](O)C1(CCC)CC1 ZINC000308560228 573336345 /nfs/dbraw/zinc/33/63/45/573336345.db2.gz WVFPCHWDCKKMON-NWDGAFQWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)C[C@H](O)C1(CCC)CC1 ZINC000308560229 573332822 /nfs/dbraw/zinc/33/28/22/573332822.db2.gz WVFPCHWDCKKMON-RYUDHWBXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)C[C@@H](O)C1(CCC)CC1 ZINC000308560230 573333637 /nfs/dbraw/zinc/33/36/37/573333637.db2.gz WVFPCHWDCKKMON-VXGBXAGGSA-N 0 0 198.350 3.754 10 0 AHAERN CCC1([C@H](O)CCCC(C)(C)C)CC1 ZINC000308560849 573333720 /nfs/dbraw/zinc/33/37/20/573333720.db2.gz XEBAZWPWOLWOCR-LLVKDONJSA-N 0 0 198.350 3.754 10 0 AHAERN CCC1([C@@H](O)CCCC(C)(C)C)CC1 ZINC000308560850 573336026 /nfs/dbraw/zinc/33/60/26/573336026.db2.gz XEBAZWPWOLWOCR-NSHDSACASA-N 0 0 198.350 3.754 10 0 AHAERN CCCCCC[C@](O)(CCC)C1CC1 ZINC000308561578 573354203 /nfs/dbraw/zinc/35/42/03/573354203.db2.gz WHVIFHBLFHJRFL-CYBMUJFWSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCCC[C@@](O)(CCC)C1CC1 ZINC000308561579 573357066 /nfs/dbraw/zinc/35/70/66/573357066.db2.gz WHVIFHBLFHJRFL-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN CCCC1([C@@H](O)[C@H](C)CC(C)C)CC1 ZINC000308561721 573358267 /nfs/dbraw/zinc/35/82/67/573358267.db2.gz XUNLLCVRGMIABY-NEPJUHHUSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC1([C@H](O)[C@@H](C)CC(C)C)CC1 ZINC000308561722 573354433 /nfs/dbraw/zinc/35/44/33/573354433.db2.gz XUNLLCVRGMIABY-NWDGAFQWSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC1([C@@H](O)[C@@H](C)CC(C)C)CC1 ZINC000308561723 573356370 /nfs/dbraw/zinc/35/63/70/573356370.db2.gz XUNLLCVRGMIABY-RYUDHWBXSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC1([C@H](O)[C@H](C)CC(C)C)CC1 ZINC000308561724 573355522 /nfs/dbraw/zinc/35/55/22/573355522.db2.gz XUNLLCVRGMIABY-VXGBXAGGSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1(C(=O)CC2CCCCC2)CC1 ZINC000308562058 573356023 /nfs/dbraw/zinc/35/60/23/573356023.db2.gz XXCABYVREXRAKZ-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN C[C@@H]([C@H](O)CC1CCCC1)C(C)(C)C ZINC000308562631 573363934 /nfs/dbraw/zinc/36/39/34/573363934.db2.gz WYKREVXBXDSRBU-CMPLNLGQSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]([C@@H](O)CC1CCCC1)C(C)(C)C ZINC000308562632 573363639 /nfs/dbraw/zinc/36/36/39/573363639.db2.gz WYKREVXBXDSRBU-JQWIXIFHSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@H]([C@@H](O)CC1CCCC1)C(C)(C)C ZINC000308562634 573360944 /nfs/dbraw/zinc/36/09/44/573360944.db2.gz WYKREVXBXDSRBU-PWSUYJOCSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@H]([C@H](O)CC1CCCC1)C(C)(C)C ZINC000308562635 573359513 /nfs/dbraw/zinc/35/95/13/573359513.db2.gz WYKREVXBXDSRBU-ZYHUDNBSSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@H](O)CC1(CC)CCC1 ZINC000308563231 573362700 /nfs/dbraw/zinc/36/27/00/573362700.db2.gz GLOUIQNBXWIELQ-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@@H](O)CC1(CC)CCC1 ZINC000308563232 573360607 /nfs/dbraw/zinc/36/06/07/573360607.db2.gz GLOUIQNBXWIELQ-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC1([C@H](O)C2CCCCC2)CC1 ZINC000308563421 573363258 /nfs/dbraw/zinc/36/32/58/573363258.db2.gz YTRHACDJCKLSAB-GFCCVEGCSA-N 0 0 196.334 3.508 10 0 AHAERN CCCC1([C@@H](O)C2CCCCC2)CC1 ZINC000308563422 573362889 /nfs/dbraw/zinc/36/28/89/573362889.db2.gz YTRHACDJCKLSAB-LBPRGKRZSA-N 0 0 196.334 3.508 10 0 AHAERN CCC1(C(=O)CCC2CCCC2)CC1 ZINC000308564250 573365790 /nfs/dbraw/zinc/36/57/90/573365790.db2.gz ZFTVBSCQIFBNHC-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CC1(CC[C@@H](O)C2CCCC2)CCC1 ZINC000308567392 573385531 /nfs/dbraw/zinc/38/55/31/573385531.db2.gz IKKCXEDTGYEMGJ-GFCCVEGCSA-N 0 0 196.334 3.508 10 0 AHAERN CC1(CC[C@H](O)C2CCCC2)CCC1 ZINC000308567394 573384303 /nfs/dbraw/zinc/38/43/03/573384303.db2.gz IKKCXEDTGYEMGJ-LBPRGKRZSA-N 0 0 196.334 3.508 10 0 AHAERN CCCCC/C=C/C=C1\CCC[C@@H]1O ZINC000308571790 573402355 /nfs/dbraw/zinc/40/23/55/573402355.db2.gz FIURTDYLUQBMDR-LASWVDACSA-N 0 0 194.318 3.594 10 0 AHAERN CCCCC/C=C/C=C1/CCC[C@@H]1O ZINC000308571792 573401891 /nfs/dbraw/zinc/40/18/91/573401891.db2.gz FIURTDYLUQBMDR-NKGMYRSBSA-N 0 0 194.318 3.594 10 0 AHAERN CCCCC/C=C/C=C1/CCC[C@H]1O ZINC000308571793 573399819 /nfs/dbraw/zinc/39/98/19/573399819.db2.gz FIURTDYLUQBMDR-NYXAKYBWSA-N 0 0 194.318 3.594 10 0 AHAERN CCCCC/C=C/C=C1\CCC[C@H]1O ZINC000308571795 573400495 /nfs/dbraw/zinc/40/04/95/573400495.db2.gz FIURTDYLUQBMDR-PCIKYMCSSA-N 0 0 194.318 3.594 10 0 AHAERN CC[C@H](C)C[C@H](C)/C=C(C)/C=C/CO ZINC000308574929 573405167 /nfs/dbraw/zinc/40/51/67/573405167.db2.gz GYBGGJLBWJAKIT-JDOKIZGFSA-N 0 0 196.334 3.554 10 0 AHAERN CC[C@H](C)C[C@@H](C)/C=C(C)/C=C\CO ZINC000308574930 573404704 /nfs/dbraw/zinc/40/47/04/573404704.db2.gz GYBGGJLBWJAKIT-TZTOLAOOSA-N 0 0 196.334 3.554 10 0 AHAERN CC[C@H](C)C[C@H](C)/C=C(C)/C=C\CO ZINC000308574931 573407564 /nfs/dbraw/zinc/40/75/64/573407564.db2.gz GYBGGJLBWJAKIT-USXOPDNWSA-N 0 0 196.334 3.554 10 0 AHAERN CC[C@H](C)C[C@@H](C)/C=C(C)/C=C/CO ZINC000308574932 573404771 /nfs/dbraw/zinc/40/47/71/573404771.db2.gz GYBGGJLBWJAKIT-VFFOILBASA-N 0 0 196.334 3.554 10 0 AHAERN CC(C)(C)C/C=C\[C@@H]1CCCC[C@H]1O ZINC000308576055 573406581 /nfs/dbraw/zinc/40/65/81/573406581.db2.gz HJUBBQYYRIVHOF-CNNCQTGTSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)(C)C/C=C\[C@@H]1CCCC[C@@H]1O ZINC000308576056 573406673 /nfs/dbraw/zinc/40/66/73/573406673.db2.gz HJUBBQYYRIVHOF-HTMRKKJOSA-N 0 0 196.334 3.530 10 0 AHAERN CCCC[C@H](O)[C@@H](C)C1=CCCCC1 ZINC000308576066 573407452 /nfs/dbraw/zinc/40/74/52/573407452.db2.gz HKIJXJBXTWGRJY-AAEUAGOBSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@@H](O)[C@H](C)C1=CCCCC1 ZINC000308576067 573407261 /nfs/dbraw/zinc/40/72/61/573407261.db2.gz HKIJXJBXTWGRJY-DGCLKSJQSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@@H](O)[C@@H](C)C1=CCCCC1 ZINC000308576068 573407267 /nfs/dbraw/zinc/40/72/67/573407267.db2.gz HKIJXJBXTWGRJY-WCQYABFASA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@H](O)[C@H](C)C1=CCCCC1 ZINC000308576069 573406240 /nfs/dbraw/zinc/40/62/40/573406240.db2.gz HKIJXJBXTWGRJY-YPMHNXCESA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@H](C)/C=C\C[C@H](C)CCO ZINC000308576279 573407414 /nfs/dbraw/zinc/40/74/14/573407414.db2.gz HPJPLDQVLWZKEA-BZGOVLQXSA-N 0 0 198.350 3.778 10 0 AHAERN CCCC[C@H](C)/C=C/C[C@H](C)CCO ZINC000308576281 573403939 /nfs/dbraw/zinc/40/39/39/573403939.db2.gz HPJPLDQVLWZKEA-KELULYIISA-N 0 0 198.350 3.778 10 0 AHAERN CCCCC[C@H](O)[C@H]1CCCC[C@H]1C ZINC000308577694 573411203 /nfs/dbraw/zinc/41/12/03/573411203.db2.gz IJAFZXSMEHVEDF-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CCCCC[C@H](O)[C@@H]1CCCC[C@H]1C ZINC000308577695 573411063 /nfs/dbraw/zinc/41/10/63/573411063.db2.gz IJAFZXSMEHVEDF-UPJWGTAASA-N 0 0 198.350 3.754 10 0 AHAERN C[C@@H]1C[C@@](O)(CCCC(C)(C)C)[C@H]1C ZINC000308578173 573412946 /nfs/dbraw/zinc/41/29/46/573412946.db2.gz NQLVYTQVAHQBCR-MDZLAQPJSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1C[C@](O)(CCCC(C)(C)C)[C@@H]1C ZINC000308578174 573412369 /nfs/dbraw/zinc/41/23/69/573412369.db2.gz NQLVYTQVAHQBCR-NQBHXWOUSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1C[C@](O)(CCCC(C)(C)C)[C@H]1C ZINC000308578176 573413259 /nfs/dbraw/zinc/41/32/59/573413259.db2.gz NQLVYTQVAHQBCR-NTZNESFSSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H]1C[C@@](O)(CCCC(C)(C)C)[C@@H]1C ZINC000308578177 573412985 /nfs/dbraw/zinc/41/29/85/573412985.db2.gz NQLVYTQVAHQBCR-WZRBSPASSA-N 0 0 198.350 3.610 10 0 AHAERN CCC1(COc2ccccc2)CCC1 ZINC000308578219 573410032 /nfs/dbraw/zinc/41/00/32/573410032.db2.gz NSHVAHKXCCGKTA-UHFFFAOYSA-N 0 0 190.286 3.646 10 0 AHAERN C[C@@H]1C[C@H]1CCCCCCCCCO ZINC000308579966 573414758 /nfs/dbraw/zinc/41/47/58/573414758.db2.gz JHTKAVBZSZDBCC-CHWSQXEVSA-N 0 0 198.350 3.756 10 0 AHAERN C[C@@H]1C[C@@H]1CCCCCCCCCO ZINC000308579967 573419248 /nfs/dbraw/zinc/41/92/48/573419248.db2.gz JHTKAVBZSZDBCC-OLZOCXBDSA-N 0 0 198.350 3.756 10 0 AHAERN C[C@H]1C[C@H]1CCCCCCCCCO ZINC000308579968 573419379 /nfs/dbraw/zinc/41/93/79/573419379.db2.gz JHTKAVBZSZDBCC-QWHCGFSZSA-N 0 0 198.350 3.756 10 0 AHAERN C[C@H]1C[C@@H]1CCCCCCCCCO ZINC000308579969 573419003 /nfs/dbraw/zinc/41/90/03/573419003.db2.gz JHTKAVBZSZDBCC-STQMWFEESA-N 0 0 198.350 3.756 10 0 AHAERN CCCCC[C@@H](O)CC1(CC)CCC1 ZINC000308580309 573419136 /nfs/dbraw/zinc/41/91/36/573419136.db2.gz OULQNUGZBZZANY-GFCCVEGCSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC[C@H](O)CC1(CC)CCC1 ZINC000308580310 573416152 /nfs/dbraw/zinc/41/61/52/573416152.db2.gz OULQNUGZBZZANY-LBPRGKRZSA-N 0 0 198.350 3.898 10 0 AHAERN CCCC[C@@H]1CC[C@H](O)[C@H]1CCCC ZINC000308581454 573435021 /nfs/dbraw/zinc/43/50/21/573435021.db2.gz JXZUAHOBLRMOAR-AGIUHOORSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H]1CC[C@@H](O)[C@H]1CCCC ZINC000308581455 573434491 /nfs/dbraw/zinc/43/44/91/573434491.db2.gz JXZUAHOBLRMOAR-FRRDWIJNSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H]1CC[C@@H](O)[C@@H]1CCCC ZINC000308581456 573406334 /nfs/dbraw/zinc/40/63/34/573406334.db2.gz JXZUAHOBLRMOAR-JHJVBQTASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H]1CC[C@H](O)[C@@H]1CCCC ZINC000308581458 573433339 /nfs/dbraw/zinc/43/33/39/573433339.db2.gz JXZUAHOBLRMOAR-UPJWGTAASA-N 0 0 198.350 3.754 10 0 AHAERN C=C=C[C@H](CCCCC)[C@H](O)CCC ZINC000308584488 573471296 /nfs/dbraw/zinc/47/12/96/573471296.db2.gz LJRZFYBVGQRUTK-CHWSQXEVSA-N 0 0 196.334 3.685 10 0 AHAERN C=C=C[C@@H](CCCCC)[C@H](O)CCC ZINC000308584497 573468874 /nfs/dbraw/zinc/46/88/74/573468874.db2.gz LJRZFYBVGQRUTK-QWHCGFSZSA-N 0 0 196.334 3.685 10 0 AHAERN CCCC/C=C/[C@@H]1CCCCC[C@H]1O ZINC000308584969 573476571 /nfs/dbraw/zinc/47/65/71/573476571.db2.gz LQJQMKLDUCDEHW-BHAGLWOSSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC/C=C\[C@@H]1CCCCC[C@H]1O ZINC000308584970 573473901 /nfs/dbraw/zinc/47/39/01/573473901.db2.gz LQJQMKLDUCDEHW-KPRDYVAISA-N 0 0 196.334 3.674 10 0 AHAERN CCCC/C=C/[C@@H]1CCCCC[C@@H]1O ZINC000308584971 573477322 /nfs/dbraw/zinc/47/73/22/573477322.db2.gz LQJQMKLDUCDEHW-RXFWDACYSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC/C=C\[C@@H]1CCCCC[C@@H]1O ZINC000308584972 573473624 /nfs/dbraw/zinc/47/36/24/573473624.db2.gz LQJQMKLDUCDEHW-VDQNYZKDSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC/C=C/[C@@H]1CCC[C@H](O)[C@H]1C ZINC000308585361 573475280 /nfs/dbraw/zinc/47/52/80/573475280.db2.gz LWWQUUBIXYWKDO-ATCZSJEQSA-N 0 0 196.334 3.530 10 0 AHAERN CCCC/C=C\[C@@H]1CCC[C@H](O)[C@H]1C ZINC000308585362 573475246 /nfs/dbraw/zinc/47/52/46/573475246.db2.gz LWWQUUBIXYWKDO-CJUQRIDISA-N 0 0 196.334 3.530 10 0 AHAERN CCCC/C=C/[C@@H]1CCC[C@H](O)[C@@H]1C ZINC000308585364 573473640 /nfs/dbraw/zinc/47/36/40/573473640.db2.gz LWWQUUBIXYWKDO-VOCCBQJNSA-N 0 0 196.334 3.530 10 0 AHAERN CCCC1([C@H](O)CC2(C)CCC2)CC1 ZINC000308585433 573474559 /nfs/dbraw/zinc/47/45/59/573474559.db2.gz ROMRFVGEFNMXJB-LLVKDONJSA-N 0 0 196.334 3.508 10 0 AHAERN CCCC1([C@@H](O)CC2(C)CCC2)CC1 ZINC000308585435 573475112 /nfs/dbraw/zinc/47/51/12/573475112.db2.gz ROMRFVGEFNMXJB-NSHDSACASA-N 0 0 196.334 3.508 10 0 AHAERN CCCCCC[C@H](CO)C1=CCCC1 ZINC000308585959 573442839 /nfs/dbraw/zinc/44/28/39/573442839.db2.gz MEQRUWVDKWWSCB-CYBMUJFWSA-N 0 0 196.334 3.676 10 0 AHAERN CCCCCC[C@@H](CO)C1=CCCC1 ZINC000308585963 573444104 /nfs/dbraw/zinc/44/41/04/573444104.db2.gz MEQRUWVDKWWSCB-ZDUSSCGKSA-N 0 0 196.334 3.676 10 0 AHAERN CC(C)=CCC/C=C\CCC[C@@H](C)O ZINC000308587946 573447739 /nfs/dbraw/zinc/44/77/39/573447739.db2.gz NCDKFJXSYYMRAQ-DSYXLKISSA-N 0 0 196.334 3.840 10 0 AHAERN CC(C)=CCC/C=C/CCC[C@@H](C)O ZINC000308587950 573449528 /nfs/dbraw/zinc/44/95/28/573449528.db2.gz NCDKFJXSYYMRAQ-MUBLQREKSA-N 0 0 196.334 3.840 10 0 AHAERN CCC1(CC[C@@H](O)C(C)(C)C)CCC1 ZINC000308588050 573449558 /nfs/dbraw/zinc/44/95/58/573449558.db2.gz TVPBXZZDQZXTEC-LLVKDONJSA-N 0 0 198.350 3.754 10 0 AHAERN CCC1(CC[C@H](O)C(C)(C)C)CCC1 ZINC000308588051 573448737 /nfs/dbraw/zinc/44/87/37/573448737.db2.gz TVPBXZZDQZXTEC-NSHDSACASA-N 0 0 198.350 3.754 10 0 AHAERN CCCC/C(C)=C/C=C\[C@H](O)C(C)C ZINC000308588121 573447768 /nfs/dbraw/zinc/44/77/68/573447768.db2.gz NFXQUPZANFANIY-AHNUVHJDSA-N 0 0 196.334 3.696 10 0 AHAERN CCC1(C(=O)CC2(CC)CCC2)CC1 ZINC000308591895 573460970 /nfs/dbraw/zinc/46/09/70/573460970.db2.gz VWGMDYJBNPILTI-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CC[C@@H](O)CC[C@H](C)CCC=C(C)C ZINC000308592568 573465400 /nfs/dbraw/zinc/46/54/00/573465400.db2.gz PSKIFVUVWRVTOR-CHWSQXEVSA-N 0 0 198.350 3.920 10 0 AHAERN CC[C@H](O)CC[C@H](C)CCC=C(C)C ZINC000308592569 573465952 /nfs/dbraw/zinc/46/59/52/573465952.db2.gz PSKIFVUVWRVTOR-OLZOCXBDSA-N 0 0 198.350 3.920 10 0 AHAERN CC[C@@H](O)CC[C@@H](C)CCC=C(C)C ZINC000308592571 573466131 /nfs/dbraw/zinc/46/61/31/573466131.db2.gz PSKIFVUVWRVTOR-QWHCGFSZSA-N 0 0 198.350 3.920 10 0 AHAERN CC[C@H](O)CC[C@@H](C)CCC=C(C)C ZINC000308592573 573465439 /nfs/dbraw/zinc/46/54/39/573465439.db2.gz PSKIFVUVWRVTOR-STQMWFEESA-N 0 0 198.350 3.920 10 0 AHAERN CCCC[C@@H](C)[C@@H](O)CC1(C)CCC1 ZINC000308592672 573465148 /nfs/dbraw/zinc/46/51/48/573465148.db2.gz WKIZNNFCIIGMNK-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](C)[C@H](O)CC1(C)CCC1 ZINC000308592673 573467222 /nfs/dbraw/zinc/46/72/22/573467222.db2.gz WKIZNNFCIIGMNK-NWDGAFQWSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@H](C)[C@@H](O)CC1(C)CCC1 ZINC000308592674 573466802 /nfs/dbraw/zinc/46/68/02/573466802.db2.gz WKIZNNFCIIGMNK-RYUDHWBXSA-N 0 0 198.350 3.754 10 0 AHAERN CCCC[C@@H](C)[C@H](O)CC1(C)CCC1 ZINC000308592675 573464249 /nfs/dbraw/zinc/46/42/49/573464249.db2.gz WKIZNNFCIIGMNK-VXGBXAGGSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@@H](O)[C@]1(C)C=CCCC1 ZINC000308593288 573488001 /nfs/dbraw/zinc/48/80/01/573488001.db2.gz QGPQZSLJAIECDX-CHWSQXEVSA-N 0 0 196.334 3.530 10 0 AHAERN CCC(CC)[C@@H](O)[C@@]1(C)C=CCCC1 ZINC000308593289 573490939 /nfs/dbraw/zinc/49/09/39/573490939.db2.gz QGPQZSLJAIECDX-OLZOCXBDSA-N 0 0 196.334 3.530 10 0 AHAERN CCC(CC)[C@H](O)[C@]1(C)C=CCCC1 ZINC000308593290 573488146 /nfs/dbraw/zinc/48/81/46/573488146.db2.gz QGPQZSLJAIECDX-QWHCGFSZSA-N 0 0 196.334 3.530 10 0 AHAERN CCC(CC)[C@H](O)[C@@]1(C)C=CCCC1 ZINC000308593291 573490333 /nfs/dbraw/zinc/49/03/33/573490333.db2.gz QGPQZSLJAIECDX-STQMWFEESA-N 0 0 196.334 3.530 10 0 AHAERN CCCC1(C(=O)CCC(C)(C)C)CC1 ZINC000308594096 573475517 /nfs/dbraw/zinc/47/55/17/573475517.db2.gz LOGDBFGVYKPQRW-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN C=C=C(CCC)[C@@H](O)CCCCCC ZINC000308594477 573476206 /nfs/dbraw/zinc/47/62/06/573476206.db2.gz QXQBIKDFSFKSDR-ZDUSSCGKSA-N 0 0 196.334 3.829 10 0 AHAERN CCC(CC)C(=O)CC1(CC)CCC1 ZINC000308594989 573480427 /nfs/dbraw/zinc/48/04/27/573480427.db2.gz YBJZFHMUHMPGLR-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN C[C@@H]1CCC[C@@H]1C/C=C/CCCCO ZINC000308603018 573519331 /nfs/dbraw/zinc/51/93/31/573519331.db2.gz VMQDYIBZRCNAKW-CBSYICTRSA-N 0 0 196.334 3.532 10 0 AHAERN C[C@@H]1CCC[C@@H]1C/C=C\CCCCO ZINC000308603019 573519137 /nfs/dbraw/zinc/51/91/37/573519137.db2.gz VMQDYIBZRCNAKW-NZTAEXDXSA-N 0 0 196.334 3.532 10 0 AHAERN C[C@@H]1CCC[C@H]1C/C=C\CCCCO ZINC000308603020 573517203 /nfs/dbraw/zinc/51/72/03/573517203.db2.gz VMQDYIBZRCNAKW-UNIPXTFRSA-N 0 0 196.334 3.532 10 0 AHAERN C[C@@H]1CCC[C@H]1C/C=C/CCCCO ZINC000308603021 573517383 /nfs/dbraw/zinc/51/73/83/573517383.db2.gz VMQDYIBZRCNAKW-UXOHQCDBSA-N 0 0 196.334 3.532 10 0 AHAERN CC(C)=CCC[C@H](C)C/C=C\[C@H](C)O ZINC000308604865 573516143 /nfs/dbraw/zinc/51/61/43/573516143.db2.gz WCOHBQLHOLKCPM-STGPWXPGSA-N 0 0 196.334 3.696 10 0 AHAERN CCCCCC[C@H](C)/C=C/[C@@H](C)CO ZINC000308610204 573512439 /nfs/dbraw/zinc/51/24/39/573512439.db2.gz YBACQUQYODLYGD-CCJARXIYSA-N 0 0 198.350 3.778 10 0 AHAERN CCCCCC[C@H](C)/C=C\[C@H](C)CO ZINC000308610206 573514201 /nfs/dbraw/zinc/51/42/01/573514201.db2.gz YBACQUQYODLYGD-DQKWEHNMSA-N 0 0 198.350 3.778 10 0 AHAERN CCCCCC[C@H](C)/C=C\[C@@H](C)CO ZINC000308610208 573513122 /nfs/dbraw/zinc/51/31/22/573513122.db2.gz YBACQUQYODLYGD-GWJJPBGRSA-N 0 0 198.350 3.778 10 0 AHAERN CCCCCC[C@H](C)/C=C/[C@H](C)CO ZINC000308610209 573508805 /nfs/dbraw/zinc/50/88/05/573508805.db2.gz YBACQUQYODLYGD-MZWKFTRPSA-N 0 0 198.350 3.778 10 0 AHAERN CCC[C@@H](C)C(=O)CC1(CC)CCC1 ZINC000308612053 573521854 /nfs/dbraw/zinc/52/18/54/573521854.db2.gz NRPGVASHSGMUEP-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CCC[C@H](C)C(=O)CC1(CC)CCC1 ZINC000308612057 573526571 /nfs/dbraw/zinc/52/65/71/573526571.db2.gz NRPGVASHSGMUEP-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN C/C=C/Cc1ccc2ccccc2c1N ZINC000308613755 573524145 /nfs/dbraw/zinc/52/41/45/573524145.db2.gz LANCCWGGMOBQLI-NSCUHMNNSA-N 0 0 197.281 3.541 10 0 AHAERN CC(C)C1CCC(CC[C@H](C)O)CC1 ZINC000308614032 573523595 /nfs/dbraw/zinc/52/35/95/573523595.db2.gz ZIHDAHAJVOSTFC-HIFPTAJRSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C1CCC(CC[C@@H](C)O)CC1 ZINC000308614037 573521972 /nfs/dbraw/zinc/52/19/72/573521972.db2.gz ZIHDAHAJVOSTFC-PNESKVBLSA-N 0 0 198.350 3.610 10 0 AHAERN C/C=C(\C)C1=Cc2ccccc2N[C@H]1C ZINC000308615335 573539661 /nfs/dbraw/zinc/53/96/61/573539661.db2.gz XEZVMMQAAYGGJM-INJWIWPUSA-N 0 0 199.297 3.850 10 0 AHAERN C/C=C(\C)C1=Cc2ccccc2N[C@@H]1C ZINC000308615336 573542511 /nfs/dbraw/zinc/54/25/11/573542511.db2.gz XEZVMMQAAYGGJM-LLMHMKPQSA-N 0 0 199.297 3.850 10 0 AHAERN OC[C@H]1C=CCCCCCCCCC1 ZINC000308615722 573542475 /nfs/dbraw/zinc/54/24/75/573542475.db2.gz ADHQSCQPGJZQNU-ZDUSSCGKSA-N 0 0 196.334 3.676 10 0 AHAERN C[C@@H](/C=C/c1ccccc1)c1ccc[nH]1 ZINC000308616571 573538768 /nfs/dbraw/zinc/53/87/68/573538768.db2.gz XJEYZPSXTDZJEW-VMPCVLLUSA-N 0 0 197.281 3.832 10 0 AHAERN C=C(/C=C\CCCCC)/C=C\[C@H](C)O ZINC000308617768 573538292 /nfs/dbraw/zinc/53/82/92/573538292.db2.gz BJCASLNIHBXUHJ-WVFLOLOJSA-N 0 0 194.318 3.616 10 0 AHAERN CCCCC[C@H](O)[C@H]1CC=CC[C@H]1C ZINC000308617783 573542893 /nfs/dbraw/zinc/54/28/93/573542893.db2.gz BKKKYFCBGBCABO-AGIUHOORSA-N 0 0 196.334 3.530 10 0 AHAERN CCCCC[C@H](O)[C@@H]1CC=CC[C@H]1C ZINC000308617786 573540963 /nfs/dbraw/zinc/54/09/63/573540963.db2.gz BKKKYFCBGBCABO-UPJWGTAASA-N 0 0 196.334 3.530 10 0 AHAERN CC1=C(C)CC[C@H](CO)CCCCC1 ZINC000308618935 573547481 /nfs/dbraw/zinc/54/74/81/573547481.db2.gz CFXKKKGSVQLHCK-CYBMUJFWSA-N 0 0 196.334 3.676 10 0 AHAERN CC1=C(C)CC[C@@H](CO)CCCCC1 ZINC000308618945 573543968 /nfs/dbraw/zinc/54/39/68/573543968.db2.gz CFXKKKGSVQLHCK-ZDUSSCGKSA-N 0 0 196.334 3.676 10 0 AHAERN CCCC[C@@H]1CC[C@H]([C@H](C)CC)[C@@H]1O ZINC000308618988 573545907 /nfs/dbraw/zinc/54/59/07/573545907.db2.gz CIUKDSNCSYVZNH-FDYHWXHSSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@@H]1CC[C@H]([C@@H](C)CC)[C@H]1O ZINC000308618991 573545850 /nfs/dbraw/zinc/54/58/50/573545850.db2.gz CIUKDSNCSYVZNH-LOWDOPEQSA-N 0 0 198.350 3.610 10 0 AHAERN CCCC[C@@H]1CC[C@H]([C@H](C)CC)[C@H]1O ZINC000308618994 573545599 /nfs/dbraw/zinc/54/55/99/573545599.db2.gz CIUKDSNCSYVZNH-LPWJVIDDSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@H](O)CC[C@]1(C)C=CCCC1 ZINC000308619797 573556594 /nfs/dbraw/zinc/55/65/94/573556594.db2.gz DFIAJTYZDVAKHQ-CHWSQXEVSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)[C@@H](O)CC[C@]1(C)C=CCCC1 ZINC000308619799 573558399 /nfs/dbraw/zinc/55/83/99/573558399.db2.gz DFIAJTYZDVAKHQ-QWHCGFSZSA-N 0 0 196.334 3.530 10 0 AHAERN C/C=C/[C@H](O)C[C@H](C)/C=C\CC(C)C ZINC000308619835 573557529 /nfs/dbraw/zinc/55/75/29/573557529.db2.gz DHGIPMFFMSLNHX-BKTNXDBESA-N 0 0 196.334 3.552 10 0 AHAERN C/C=C\[C@H](O)C[C@H](C)/C=C/CC(C)C ZINC000308619836 573558071 /nfs/dbraw/zinc/55/80/71/573558071.db2.gz DHGIPMFFMSLNHX-JUCPSWAASA-N 0 0 196.334 3.552 10 0 AHAERN C/C=C\[C@H](O)C[C@H](C)/C=C\CC(C)C ZINC000308619838 573558084 /nfs/dbraw/zinc/55/80/84/573558084.db2.gz DHGIPMFFMSLNHX-SOAOLHHXSA-N 0 0 196.334 3.552 10 0 AHAERN CCC/C=C(/C=C/C(C)=C\CO)CC ZINC000308620537 573558997 /nfs/dbraw/zinc/55/89/97/573558997.db2.gz DOUUDXIBCJTSJQ-LLSDETKPSA-N 0 0 194.318 3.618 10 0 AHAERN CCC/C=C(/C=C/C(C)=C/CO)CC ZINC000308620538 573556689 /nfs/dbraw/zinc/55/66/89/573556689.db2.gz DOUUDXIBCJTSJQ-YAQUUKKSSA-N 0 0 194.318 3.618 10 0 AHAERN CCC(C)(C)C(=O)CC1(CC)CCC1 ZINC000308620570 573556149 /nfs/dbraw/zinc/55/61/49/573556149.db2.gz VHJXFOYREDSTKP-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCC1(C[C@@H](O)C2CCCC2)CCC1 ZINC000308621718 573561728 /nfs/dbraw/zinc/56/17/28/573561728.db2.gz WBNSGVBHVGDQSU-GFCCVEGCSA-N 0 0 196.334 3.508 10 0 AHAERN CCC1(C[C@H](O)C2CCCC2)CCC1 ZINC000308621721 573563012 /nfs/dbraw/zinc/56/30/12/573563012.db2.gz WBNSGVBHVGDQSU-LBPRGKRZSA-N 0 0 196.334 3.508 10 0 AHAERN CCC/C=C\[C@@H](CO)CCCCCC ZINC000308622112 573562222 /nfs/dbraw/zinc/56/22/22/573562222.db2.gz GMIBSKPHDOVHTJ-CHOZFAJLSA-N 0 0 198.350 3.922 10 0 AHAERN CCC/C=C\[C@H](CO)CCCCCC ZINC000308622113 573560850 /nfs/dbraw/zinc/56/08/50/573560850.db2.gz GMIBSKPHDOVHTJ-KJJQSCHISA-N 0 0 198.350 3.922 10 0 AHAERN CC(C)/C=C(/C=C\[C@H](C)O)C(C)(C)C ZINC000308622139 573564348 /nfs/dbraw/zinc/56/43/48/573564348.db2.gz GQBKCEIBWVBMPI-HGFHFTOQSA-N 0 0 196.334 3.552 10 0 AHAERN CC(C)/C=C(\C=C/[C@H](C)O)C(C)(C)C ZINC000308622141 573565359 /nfs/dbraw/zinc/56/53/59/573565359.db2.gz GQBKCEIBWVBMPI-JJQGPACOSA-N 0 0 196.334 3.552 10 0 AHAERN CC(C)/C(=C\C=C\[C@H](C)O)C(C)(C)C ZINC000308622818 573562617 /nfs/dbraw/zinc/56/26/17/573562617.db2.gz HBVXPLNUQIBLOY-IYOFUODMSA-N 0 0 196.334 3.552 10 0 AHAERN CC(C)/C(=C\C=C\[C@@H](C)O)C(C)(C)C ZINC000308622819 573563750 /nfs/dbraw/zinc/56/37/50/573563750.db2.gz HBVXPLNUQIBLOY-PAXCIIMYSA-N 0 0 196.334 3.552 10 0 AHAERN C/C=C\C[C@H](O)C/C=C\CCCCC ZINC000308623299 573561006 /nfs/dbraw/zinc/56/10/06/573561006.db2.gz HPPWHKALRAVJJP-AXCROSOQSA-N 0 0 196.334 3.840 10 0 AHAERN C/C=C\C[C@H](O)C/C=C/CCCCC ZINC000308623300 573560607 /nfs/dbraw/zinc/56/06/07/573560607.db2.gz HPPWHKALRAVJJP-GAQYXWKISA-N 0 0 196.334 3.840 10 0 AHAERN C/C=C/C[C@H](O)C/C=C\CCCCC ZINC000308623301 573565222 /nfs/dbraw/zinc/56/52/22/573565222.db2.gz HPPWHKALRAVJJP-PDHKIGOWSA-N 0 0 196.334 3.840 10 0 AHAERN CC(C)CCC[C@@H]1CC[C@@H](O)[C@H](C)C1 ZINC000308624393 573570596 /nfs/dbraw/zinc/57/05/96/573570596.db2.gz JJFSASAQURQEDZ-JHJVBQTASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CCC[C@@H]1CC[C@H](O)[C@H](C)C1 ZINC000308624395 573569791 /nfs/dbraw/zinc/56/97/91/573569791.db2.gz JJFSASAQURQEDZ-UPJWGTAASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@@]1(O)CCC1(C)C ZINC000308624862 573568425 /nfs/dbraw/zinc/56/84/25/573568425.db2.gz VMHJVZYLTVUROV-AAEUAGOBSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)C[C@]1(O)CCC1(C)C ZINC000308624863 573570127 /nfs/dbraw/zinc/57/01/27/573570127.db2.gz VMHJVZYLTVUROV-DGCLKSJQSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@H](C)C[C@]1(O)CCC1(C)C ZINC000308624864 573568734 /nfs/dbraw/zinc/56/87/34/573568734.db2.gz VMHJVZYLTVUROV-WCQYABFASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C[C@@H](C)C[C@@]1(O)CCC1(C)C ZINC000308624865 573569282 /nfs/dbraw/zinc/56/92/82/573569282.db2.gz VMHJVZYLTVUROV-YPMHNXCESA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)=CCC[C@@H](C)C/C=C(\C)CO ZINC000308625320 573568695 /nfs/dbraw/zinc/56/86/95/573568695.db2.gz KKASNOZSUXJGFH-AUWXEVLLSA-N 0 0 196.334 3.698 10 0 AHAERN CC(C)=CCC[C@H](C)C/C=C(\C)CO ZINC000308625321 573569471 /nfs/dbraw/zinc/56/94/71/573569471.db2.gz KKASNOZSUXJGFH-OQZOHAQUSA-N 0 0 196.334 3.698 10 0 AHAERN CCCC(CC/C(C)=C\CO)=C(C)C ZINC000308625548 573567782 /nfs/dbraw/zinc/56/77/82/573567782.db2.gz KPNLGNPTZQVBFF-XFXZXTDPSA-N 0 0 196.334 3.842 10 0 AHAERN CC/C=C(\C=C/[C@H](C)O)C(C)(C)CC ZINC000308625574 573566397 /nfs/dbraw/zinc/56/63/97/573566397.db2.gz KTQJGNSJZVLOTJ-NUNHTBPJSA-N 0 0 196.334 3.696 10 0 AHAERN CC/C=C(/C=C\[C@H](C)O)C(C)(C)CC ZINC000308625575 573567492 /nfs/dbraw/zinc/56/74/92/573567492.db2.gz KTQJGNSJZVLOTJ-VSGPQZCUSA-N 0 0 196.334 3.696 10 0 AHAERN CCCC[C@H](O)C1=CCCC=CCC1 ZINC000308625846 573567129 /nfs/dbraw/zinc/56/71/29/573567129.db2.gz LHJUYIVZGHBQPE-ZDUSSCGKSA-N 0 0 194.318 3.594 10 0 AHAERN CC(C)=CCC/C(C)=C\C[C@@H](C)CO ZINC000308626165 573543744 /nfs/dbraw/zinc/54/37/44/573543744.db2.gz MAABSJUJXUCDSU-LLBKUYECSA-N 0 0 196.334 3.698 10 0 AHAERN CC(C)=CCC/C(C)=C/C[C@@H](C)CO ZINC000308626166 573546612 /nfs/dbraw/zinc/54/66/12/573546612.db2.gz MAABSJUJXUCDSU-YQCJOKCJSA-N 0 0 196.334 3.698 10 0 AHAERN CCCC/C=C\[C@@H](C)[C@](C)(CC)CO ZINC000308626427 573545418 /nfs/dbraw/zinc/54/54/18/573545418.db2.gz MNCOVRHHQZNHFT-CYZFJHGLSA-N 0 0 198.350 3.778 10 0 AHAERN CCCC/C=C/[C@@H](C)[C@](C)(CC)CO ZINC000308626432 573546820 /nfs/dbraw/zinc/54/68/20/573546820.db2.gz MNCOVRHHQZNHFT-WGVUZWOWSA-N 0 0 198.350 3.778 10 0 AHAERN CCCCC/C=C\[C@@H]1CCCC[C@H]1O ZINC000308626702 573547284 /nfs/dbraw/zinc/54/72/84/573547284.db2.gz NDWVYACRXINHCD-KPRDYVAISA-N 0 0 196.334 3.674 10 0 AHAERN C[C@H]1CC[C@H](/C=C\CCCCO)CC1 ZINC000308627488 573545902 /nfs/dbraw/zinc/54/59/02/573545902.db2.gz OVGDRFGBZLZBQK-INJBESJKSA-N 0 0 196.334 3.532 10 0 AHAERN C[C@H]1CC[C@H](/C=C/CCCCO)CC1 ZINC000308627491 573545499 /nfs/dbraw/zinc/54/54/99/573545499.db2.gz OVGDRFGBZLZBQK-SKTRJTJASA-N 0 0 196.334 3.532 10 0 AHAERN CCCCC/C=C\C/C=C/C[C@H](C)O ZINC000308628167 573548918 /nfs/dbraw/zinc/54/89/18/573548918.db2.gz PUCSFWCCOXOPIY-LTVFENJISA-N 0 0 196.334 3.840 10 0 AHAERN CCCCC/C=C/C/C=C\C[C@H](C)O ZINC000308628172 573549212 /nfs/dbraw/zinc/54/92/12/573549212.db2.gz PUCSFWCCOXOPIY-PNARZHDTSA-N 0 0 196.334 3.840 10 0 AHAERN CCCCC/C=C\C/C=C\C[C@H](C)O ZINC000308628176 573550032 /nfs/dbraw/zinc/55/00/32/573550032.db2.gz PUCSFWCCOXOPIY-ZLDUOGLVSA-N 0 0 196.334 3.840 10 0 AHAERN CC/C=C\C[C@H](O)[C@H](CC)CCCC ZINC000308628368 573550903 /nfs/dbraw/zinc/55/09/03/573550903.db2.gz QHDKSUGYIIILOO-HYOAPIGFSA-N 0 0 198.350 3.920 10 0 AHAERN CC/C=C\C[C@H](O)[C@@H](CC)CCCC ZINC000308628601 573552534 /nfs/dbraw/zinc/55/25/34/573552534.db2.gz QHDKSUGYIIILOO-JWRBQHRDSA-N 0 0 198.350 3.920 10 0 AHAERN O[C@@H]1C=CCCCCCCCCCC1 ZINC000308628639 573553656 /nfs/dbraw/zinc/55/36/56/573553656.db2.gz QPFZUISGBBUKRA-CYBMUJFWSA-N 0 0 196.334 3.818 10 0 AHAERN C/C=C\C[C@H](O)[C@@H](C)CCCCCC ZINC000308630014 573552274 /nfs/dbraw/zinc/55/22/74/573552274.db2.gz STTGGRZNRPIAOV-REPZICSESA-N 0 0 198.350 3.920 10 0 AHAERN C/C=C\C[C@H](O)[C@H](C)CCCCCC ZINC000308630015 573551651 /nfs/dbraw/zinc/55/16/51/573551651.db2.gz STTGGRZNRPIAOV-XHSUHYBKSA-N 0 0 198.350 3.920 10 0 AHAERN CC/C=C\C[C@H](C)CC[C@H](O)C(C)C ZINC000308630567 573552213 /nfs/dbraw/zinc/55/22/13/573552213.db2.gz SXTKJWNYJRRSFL-JSIVBPPZSA-N 0 0 198.350 3.776 10 0 AHAERN CC/C=C/C[C@H](C)CC[C@H](O)C(C)C ZINC000308630568 573553709 /nfs/dbraw/zinc/55/37/09/573553709.db2.gz SXTKJWNYJRRSFL-XKZLPGLHSA-N 0 0 198.350 3.776 10 0 AHAERN C/C=C(\C)[C@@H](O)C(C)=C1CCCCC1 ZINC000308630725 573549790 /nfs/dbraw/zinc/54/97/90/573549790.db2.gz UGHSSXSTUKQCHB-MQSIBISMSA-N 0 0 194.318 3.594 10 0 AHAERN C/C=C\[C@H](O)C[C@H]1CCCC(C)(C)C1 ZINC000308631002 573587209 /nfs/dbraw/zinc/58/72/09/573587209.db2.gz UKRBPUTWNUFECS-GJJFQZOLSA-N 0 0 196.334 3.530 10 0 AHAERN C/C=C\[C@H](O)C[C@@H]1CCCC(C)(C)C1 ZINC000308631003 573589732 /nfs/dbraw/zinc/58/97/32/573589732.db2.gz UKRBPUTWNUFECS-XSCYXQHBSA-N 0 0 196.334 3.530 10 0 AHAERN CCCCC/C=C/C=C\[C@@H](O)C(C)C ZINC000308631616 573592431 /nfs/dbraw/zinc/59/24/31/573592431.db2.gz VBTRHWWRHNXONQ-UIYNPUDWSA-N 0 0 196.334 3.696 10 0 AHAERN CC[C@H](C)/C=C/C=C(/C)C[C@H](C)CO ZINC000308631671 573591478 /nfs/dbraw/zinc/59/14/78/573591478.db2.gz VKZOCPRFYFCBGX-OWHSWBGOSA-N 0 0 196.334 3.554 10 0 AHAERN CC[C@@H](C)/C=C/C=C(/C)C[C@H](C)CO ZINC000308631672 573587840 /nfs/dbraw/zinc/58/78/40/573587840.db2.gz VKZOCPRFYFCBGX-QKGHWDEZSA-N 0 0 196.334 3.554 10 0 AHAERN CC/C(=C\CCO)CC/C=C(/C)CC ZINC000308632845 573594436 /nfs/dbraw/zinc/59/44/36/573594436.db2.gz WOKIODKSICHMGU-FECSTBLZSA-N 0 0 196.334 3.842 10 0 AHAERN CC/C(C)=C\CC/C(=C\CCO)CC ZINC000308632849 573594962 /nfs/dbraw/zinc/59/49/62/573594962.db2.gz WOKIODKSICHMGU-KDVDBFTISA-N 0 0 196.334 3.842 10 0 AHAERN CC/C(C)=C/CC/C(=C\CCO)CC ZINC000308632853 573595860 /nfs/dbraw/zinc/59/58/60/573595860.db2.gz WOKIODKSICHMGU-LSCZQMSZSA-N 0 0 196.334 3.842 10 0 AHAERN CC(C)(C)C(C)(C)C(=O)CC1CCC1 ZINC000308633606 573571985 /nfs/dbraw/zinc/57/19/85/573571985.db2.gz ADDCDAMCFXZJJZ-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCCC[C@@H](C)/C=C\[C@H](C)CO ZINC000308635103 573573960 /nfs/dbraw/zinc/57/39/60/573573960.db2.gz YBACQUQYODLYGD-BWFAQCLASA-N 0 0 198.350 3.778 10 0 AHAERN CCCCCC[C@@H](C)/C=C/[C@H](C)CO ZINC000308635105 573572568 /nfs/dbraw/zinc/57/25/68/573572568.db2.gz YBACQUQYODLYGD-GBYBRZQVSA-N 0 0 198.350 3.778 10 0 AHAERN O[C@@H]1CC=CCCCCCCCCC1 ZINC000308635787 573579843 /nfs/dbraw/zinc/57/98/43/573579843.db2.gz YLLZUKRDGWKNRN-CYBMUJFWSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H](C)C[C@H](O)CC1(C)CCCC1 ZINC000308636896 573576292 /nfs/dbraw/zinc/57/62/92/573576292.db2.gz BIDMMKURHIFEBF-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@@H](O)CC1(C)CCCC1 ZINC000308636897 573574706 /nfs/dbraw/zinc/57/47/06/573574706.db2.gz BIDMMKURHIFEBF-NWDGAFQWSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@H](O)CC1(C)CCCC1 ZINC000308636899 573574845 /nfs/dbraw/zinc/57/48/45/573574845.db2.gz BIDMMKURHIFEBF-RYUDHWBXSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)C[C@@H](O)CC1(C)CCCC1 ZINC000308636900 573579705 /nfs/dbraw/zinc/57/97/05/573579705.db2.gz BIDMMKURHIFEBF-VXGBXAGGSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)[C@@H](O)CCCC1(C)CCCC1 ZINC000308636935 573578671 /nfs/dbraw/zinc/57/86/71/573578671.db2.gz BJDHSNNYIAUBQQ-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@](O)(CC1(C)CCCC1)C(C)C ZINC000308647226 573601727 /nfs/dbraw/zinc/60/17/27/573601727.db2.gz HZBLUVYCUQVRJE-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@](O)(CC1(C)CCCC1)C(C)C ZINC000308647227 573604794 /nfs/dbraw/zinc/60/47/94/573604794.db2.gz HZBLUVYCUQVRJE-ZDUSSCGKSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@](C)(CO)CC1(C)CCCC1 ZINC000308647817 573603527 /nfs/dbraw/zinc/60/35/27/573603527.db2.gz IGDHXZFPKJFUJB-CYBMUJFWSA-N 0 0 198.350 3.756 10 0 AHAERN CCC[C@](C)(CO)CC1(C)CCCC1 ZINC000308647818 573607071 /nfs/dbraw/zinc/60/70/71/573607071.db2.gz IGDHXZFPKJFUJB-ZDUSSCGKSA-N 0 0 198.350 3.756 10 0 AHAERN CC[C@@](O)(CC1(C)CCCC1)C1CC1 ZINC000308650045 573629057 /nfs/dbraw/zinc/62/90/57/573629057.db2.gz JOSUQZASKTXTJP-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@](O)(CC1(C)CCCC1)C1CC1 ZINC000308650047 573626412 /nfs/dbraw/zinc/62/64/12/573626412.db2.gz JOSUQZASKTXTJP-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)(C)CC(=O)CC1(C)CCCC1 ZINC000308650785 573634999 /nfs/dbraw/zinc/63/49/99/573634999.db2.gz JZGYTVXNYUNJOQ-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)[C@H](CC1(C)CCCC1)[C@@H](C)O ZINC000308650887 573639265 /nfs/dbraw/zinc/63/92/65/573639265.db2.gz KBXWHIVUITXLPL-NEPJUHHUSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@H](CC1(C)CCCC1)[C@H](C)O ZINC000308650889 573637304 /nfs/dbraw/zinc/63/73/04/573637304.db2.gz KBXWHIVUITXLPL-RYUDHWBXSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@H](CC1(C)CCCC1)[C@@H](C)O ZINC000308650891 573641340 /nfs/dbraw/zinc/64/13/40/573641340.db2.gz KBXWHIVUITXLPL-VXGBXAGGSA-N 0 0 198.350 3.610 10 0 AHAERN CC1(CC(=O)CC2CCC2)CCCC1 ZINC000308652966 573639631 /nfs/dbraw/zinc/63/96/31/573639631.db2.gz LMDKYKSWNLOJBY-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CCC(CC)[C@H](O)CC1(C)CCCC1 ZINC000308653893 573643051 /nfs/dbraw/zinc/64/30/51/573643051.db2.gz MFMWRHHKNWZMDI-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(CC)[C@@H](O)CC1(C)CCCC1 ZINC000308653894 573647226 /nfs/dbraw/zinc/64/72/26/573647226.db2.gz MFMWRHHKNWZMDI-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)(C)C(=O)CCC1(C)CCCC1 ZINC000308656448 573652485 /nfs/dbraw/zinc/65/24/85/573652485.db2.gz NSOJUZXOSRWYIH-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC1(C[C@H](O)CC2CCC2)CCCC1 ZINC000308656637 573649008 /nfs/dbraw/zinc/64/90/08/573649008.db2.gz NTVPUNUVHQKNAQ-GFCCVEGCSA-N 0 0 196.334 3.508 10 0 AHAERN CC1(C[C@@H](O)CC2CCC2)CCCC1 ZINC000308656638 573651672 /nfs/dbraw/zinc/65/16/72/573651672.db2.gz NTVPUNUVHQKNAQ-LBPRGKRZSA-N 0 0 196.334 3.508 10 0 AHAERN CCC[C@@H](C)[C@@H](O)CC1(C)CCCC1 ZINC000308657664 573648869 /nfs/dbraw/zinc/64/88/69/573648869.db2.gz OFHIMVAEGHUTLX-NEPJUHHUSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)[C@H](O)CC1(C)CCCC1 ZINC000308657666 573648894 /nfs/dbraw/zinc/64/88/94/573648894.db2.gz OFHIMVAEGHUTLX-NWDGAFQWSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@H](C)[C@@H](O)CC1(C)CCCC1 ZINC000308657667 573653050 /nfs/dbraw/zinc/65/30/50/573653050.db2.gz OFHIMVAEGHUTLX-RYUDHWBXSA-N 0 0 198.350 3.754 10 0 AHAERN CCC[C@@H](C)[C@H](O)CC1(C)CCCC1 ZINC000308657668 573653204 /nfs/dbraw/zinc/65/32/04/573653204.db2.gz OFHIMVAEGHUTLX-VXGBXAGGSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C[C@@H](CO)CC1(C)CCCC1 ZINC000308658608 573621602 /nfs/dbraw/zinc/62/16/02/573621602.db2.gz OSIHMVHGSMZMLF-GFCCVEGCSA-N 0 0 198.350 3.611 10 0 AHAERN CC(C)C[C@H](CO)CC1(C)CCCC1 ZINC000308658610 573625107 /nfs/dbraw/zinc/62/51/07/573625107.db2.gz OSIHMVHGSMZMLF-LBPRGKRZSA-N 0 0 198.350 3.611 10 0 AHAERN c1ccc2c(c1)[nH]c1c2CCCCC=C1 ZINC000308682375 573702914 /nfs/dbraw/zinc/70/29/14/573702914.db2.gz QOPAVBDYXWNMKB-UHFFFAOYSA-N 0 0 197.281 3.908 10 0 AHAERN C=C/C=C\c1ccc2ccccc2c1O ZINC000308693424 573722969 /nfs/dbraw/zinc/72/29/69/573722969.db2.gz JFEUTWLRZAQTSV-UTCJRWHESA-N 0 0 196.249 3.745 10 0 AHAERN CC(C)(C)[C@@H](CO)CC1(C)CCCC1 ZINC000308695258 573738778 /nfs/dbraw/zinc/73/87/78/573738778.db2.gz SPEODQBIMVZELH-LLVKDONJSA-N 0 0 198.350 3.611 10 0 AHAERN CC(C)(C)[C@H](CO)CC1(C)CCCC1 ZINC000308695260 573737166 /nfs/dbraw/zinc/73/71/66/573737166.db2.gz SPEODQBIMVZELH-NSHDSACASA-N 0 0 198.350 3.611 10 0 AHAERN CC(C)C[C@H](O)CCC1(C)CCCC1 ZINC000308695891 573736611 /nfs/dbraw/zinc/73/66/11/573736611.db2.gz SWKQEEJGKLUUFN-GFCCVEGCSA-N 0 0 198.350 3.754 10 0 AHAERN CC(C)C[C@@H](O)CCC1(C)CCCC1 ZINC000308695893 573736297 /nfs/dbraw/zinc/73/62/97/573736297.db2.gz SWKQEEJGKLUUFN-LBPRGKRZSA-N 0 0 198.350 3.754 10 0 AHAERN C/C=C/Cc1ccc2ccccc2c1O ZINC000308697178 573759650 /nfs/dbraw/zinc/75/96/50/573759650.db2.gz NHNBPGGHFYFLRI-NSCUHMNNSA-N 0 0 198.265 3.664 10 0 AHAERN CC(C)[C@@](C)(CO)CC1(C)CCCC1 ZINC000308700791 573744453 /nfs/dbraw/zinc/74/44/53/573744453.db2.gz UXPRZYXJCXQOIM-CYBMUJFWSA-N 0 0 198.350 3.611 10 0 AHAERN CC(C)[C@](C)(CO)CC1(C)CCCC1 ZINC000308700792 573746470 /nfs/dbraw/zinc/74/64/70/573746470.db2.gz UXPRZYXJCXQOIM-ZDUSSCGKSA-N 0 0 198.350 3.611 10 0 AHAERN C=C/C=C\c1c(O)ccc2ccccc12 ZINC000308703090 573747442 /nfs/dbraw/zinc/74/74/42/573747442.db2.gz VJXHOHHUGWXARN-CLTKARDFSA-N 0 0 196.249 3.745 10 0 AHAERN CCC[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000308706658 573751022 /nfs/dbraw/zinc/75/10/22/573751022.db2.gz XAJMVDCRRXWJSV-GFCCVEGCSA-N 0 0 192.302 3.871 10 0 AHAERN CCC[C@H](C)Oc1ccc(C)c(C)c1 ZINC000308706660 573751592 /nfs/dbraw/zinc/75/15/92/573751592.db2.gz XAJMVDCRRXWJSV-LBPRGKRZSA-N 0 0 192.302 3.871 10 0 AHAERN CC[C@@H](C)CC(=O)CC1(C)CCCC1 ZINC000308708813 573746882 /nfs/dbraw/zinc/74/68/82/573746882.db2.gz XRFVTURNLDUGSJ-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CC[C@H](C)CC(=O)CC1(C)CCCC1 ZINC000308708816 573748462 /nfs/dbraw/zinc/74/84/62/573748462.db2.gz XRFVTURNLDUGSJ-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)[C@@H](C)[C@@H](O)CC1(C)CCCC1 ZINC000308712796 573768820 /nfs/dbraw/zinc/76/88/20/573768820.db2.gz ZQEBKWJKAWEBOV-NEPJUHHUSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@H](C)[C@H](O)CC1(C)CCCC1 ZINC000308712797 573770350 /nfs/dbraw/zinc/77/03/50/573770350.db2.gz ZQEBKWJKAWEBOV-NWDGAFQWSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@H](C)[C@@H](O)CC1(C)CCCC1 ZINC000308712800 573766600 /nfs/dbraw/zinc/76/66/00/573766600.db2.gz ZQEBKWJKAWEBOV-RYUDHWBXSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)[C@@H](C)[C@H](O)CC1(C)CCCC1 ZINC000308712802 573769061 /nfs/dbraw/zinc/76/90/61/573769061.db2.gz ZQEBKWJKAWEBOV-VXGBXAGGSA-N 0 0 198.350 3.610 10 0 AHAERN C=C/C=C/c1c(O)ccc2ccccc12 ZINC000308715741 573771667 /nfs/dbraw/zinc/77/16/67/573771667.db2.gz VJXHOHHUGWXARN-XVNBXDOJSA-N 0 0 196.249 3.745 10 0 AHAERN C/C=C/C=C/C/C=C\c1ccccc1N ZINC000308719814 573776016 /nfs/dbraw/zinc/77/60/16/573776016.db2.gz BUFUTPPHZRWFGB-SMFMVCIJSA-N 0 0 199.297 3.804 10 0 AHAERN CCC[C@H]1C[C@@]1(O)C(C)(C)C(C)(C)C ZINC000308740254 573785563 /nfs/dbraw/zinc/78/55/63/573785563.db2.gz OHLHQBHPCCXICE-GWCFXTLKSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@H]1C[C@]1(O)C(C)(C)C(C)(C)C ZINC000308740255 573785591 /nfs/dbraw/zinc/78/55/91/573785591.db2.gz OHLHQBHPCCXICE-GXFFZTMASA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H]1C[C@@]1(O)C(C)(C)C(C)(C)C ZINC000308740256 573785830 /nfs/dbraw/zinc/78/58/30/573785830.db2.gz OHLHQBHPCCXICE-MFKMUULPSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@H]1C[C@]1(O)C(C)(C)C(C)(C)C ZINC000308740257 573783068 /nfs/dbraw/zinc/78/30/68/573783068.db2.gz OHLHQBHPCCXICE-ZWNOBZJWSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)(C)C(C)(C)[C@@H](O)CC1CCC1 ZINC000308742454 573787608 /nfs/dbraw/zinc/78/76/08/573787608.db2.gz PPBMVQLUEVSLRQ-NSHDSACASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)(C)C(C)(C)C(=O)CCC1CC1 ZINC000308750093 573823590 /nfs/dbraw/zinc/82/35/90/573823590.db2.gz UBUBRJNOAPXXPY-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN C/C=C\Cn1ccc2cccc(CC)c21 ZINC000308768151 573856146 /nfs/dbraw/zinc/85/61/46/573856146.db2.gz LBRQLJJMLVNFFK-HYXAFXHYSA-N 0 0 199.297 3.780 10 0 AHAERN c1cc(C2=CCCCC2)cc2c1NCC2 ZINC000308812148 573447051 /nfs/dbraw/zinc/44/70/51/573447051.db2.gz OCRBFWHFOKPSEZ-UHFFFAOYSA-N 0 0 199.297 3.612 10 0 AHAERN CCCCc1cc(C)c2ncccc2c1 ZINC000308819294 573864420 /nfs/dbraw/zinc/86/44/20/573864420.db2.gz BWGGZPVGJPTKJB-UHFFFAOYSA-N 0 0 199.297 3.886 10 0 AHAERN C1=C(c2ccc3c(c2)CCCN3)CCC1 ZINC000308831675 574041825 /nfs/dbraw/zinc/04/18/25/574041825.db2.gz ULMDARXWXJOTOX-UHFFFAOYSA-N 0 0 199.297 3.612 10 0 AHAERN CC(=O)c1ccc2c(C)ccc(C)c2c1 ZINC000308851739 573203564 /nfs/dbraw/zinc/20/35/64/573203564.db2.gz HHIHCSQNBGALBB-UHFFFAOYSA-N 0 0 198.265 3.659 10 0 AHAERN Cc1cccc(C)c1-c1cccc(N)c1 ZINC000308877403 573736386 /nfs/dbraw/zinc/73/63/86/573736386.db2.gz DHEJAIGCFBIUPC-UHFFFAOYSA-N 0 0 197.281 3.553 10 0 AHAERN CCC[C@@H](O)[C@H](CCC)C1CCCC1 ZINC000313384705 573463347 /nfs/dbraw/zinc/46/33/47/573463347.db2.gz GGECNOVFRSEXDA-CHWSQXEVSA-N 0 0 198.350 3.754 10 0 AHAERN CC/C=C(/CCC)c1sccc1N ZINC000379233321 346489772 /nfs/dbraw/zinc/48/97/72/346489772.db2.gz UMIDIROXHYCNGI-UITAMQMPSA-N 0 0 195.331 3.924 10 0 AHAERN C/C(=C\Cl)CNc1ccccc1C ZINC000379300683 571772429 /nfs/dbraw/zinc/77/24/29/571772429.db2.gz POSNIRMZEMCQTM-VQHVLOKHSA-N 0 0 195.693 3.550 10 0 AHAERN C/C=C\C(=O)c1cccc(C(C)C)c1 ZINC000379508476 346524449 /nfs/dbraw/zinc/52/44/49/346524449.db2.gz UMCLWDKEOGGLNQ-XQRVVYSFSA-N 0 0 188.270 3.569 10 0 AHAERN C/C=C\c1ccc(NC2CCC2)cc1 ZINC000379601535 572672235 /nfs/dbraw/zinc/67/22/35/572672235.db2.gz LWLMGUNJWNRSST-RQOWECAXSA-N 0 0 187.286 3.684 10 0 AHAERN C=Cc1ccc(C(=O)[C@@H](C)CC)cc1 ZINC000382684143 346535808 /nfs/dbraw/zinc/53/58/08/346535808.db2.gz DBBFQTWIPRVLEV-JTQLQIEISA-N 0 0 188.270 3.558 10 0 AHAERN C=Cc1ccc(C(=O)[C@H](C)CC)cc1 ZINC000382684144 346535323 /nfs/dbraw/zinc/53/53/23/346535323.db2.gz DBBFQTWIPRVLEV-SNVBAGLBSA-N 0 0 188.270 3.558 10 0 AHAERN CCCC/C=C/c1sccc1N ZINC000384086505 346537664 /nfs/dbraw/zinc/53/76/64/346537664.db2.gz UQXJBUAUZFTENL-AATRIKPKSA-N 0 0 181.304 3.534 10 0 AHAERN CCC/C=C\C(F)(F)C(F)(F)F ZINC000388401692 571985150 /nfs/dbraw/zinc/98/51/50/571985150.db2.gz OKZFBHASCZELTH-PLNGDYQASA-N 0 0 188.139 3.540 10 0 AHAERN CCCCCC[C@H]1CC[C@H](CO)CC1 ZINC000388824337 571954743 /nfs/dbraw/zinc/95/47/43/571954743.db2.gz SOEBJIFCUVQDCK-JOCQHMNTSA-N 0 0 198.350 3.756 10 0 AHAERN C/C(=C/C1CCC(C)(C)CC1)[C@@H](C)O ZINC000389226207 572744040 /nfs/dbraw/zinc/74/40/40/572744040.db2.gz QKLOJFJVCIJUGZ-DWOQACPDSA-N 0 0 196.334 3.530 10 0 AHAERN C/C(=C/C1CCC(C)(C)CC1)[C@H](C)O ZINC000389226208 572744360 /nfs/dbraw/zinc/74/43/60/572744360.db2.gz QKLOJFJVCIJUGZ-JUDLJHIGSA-N 0 0 196.334 3.530 10 0 AHAERN C/C(=C\Cl)CNc1cccc(C)c1 ZINC000393346511 572670816 /nfs/dbraw/zinc/67/08/16/572670816.db2.gz DCHOTOFSHXHTCE-JXMROGBWSA-N 0 0 195.693 3.550 10 0 AHAERN C(CSCC1CCC1)=C1CCC1 ZINC000393366319 572232354 /nfs/dbraw/zinc/23/23/54/572232354.db2.gz DZJWCMTZDCEPJS-UHFFFAOYSA-N 0 0 182.332 3.630 10 0 AHAERN CC[C@@H](C)CC(=O)c1cc(C)cs1 ZINC000393477926 572685640 /nfs/dbraw/zinc/68/56/40/572685640.db2.gz CDQPUIGJYXVHID-MRVPVSSYSA-N 0 0 196.315 3.675 10 0 AHAERN CC[C@H](C)CC(=O)c1cc(C)cs1 ZINC000393477928 572687599 /nfs/dbraw/zinc/68/75/99/572687599.db2.gz CDQPUIGJYXVHID-QMMMGPOBSA-N 0 0 196.315 3.675 10 0 AHAERN CCCCC[C@H](O)c1cc(C)cs1 ZINC000393507190 573182786 /nfs/dbraw/zinc/18/27/86/573182786.db2.gz LLUBMGCERFBGJD-JTQLQIEISA-N 0 0 198.331 3.670 10 0 AHAERN CCCCC[C@@H](O)c1cc(C)cs1 ZINC000393507194 573185653 /nfs/dbraw/zinc/18/56/53/573185653.db2.gz LLUBMGCERFBGJD-SNVBAGLBSA-N 0 0 198.331 3.670 10 0 AHAERN CC(C)(C)SC/C(Cl)=C\Cl ZINC000393507487 573184249 /nfs/dbraw/zinc/18/42/49/573184249.db2.gz DKFRWPOZSKGCRO-GQCTYLIASA-N 0 0 199.146 3.837 10 0 AHAERN C/C(=C/CCCO)CCCC(C)C ZINC000393535767 572944758 /nfs/dbraw/zinc/94/47/58/572944758.db2.gz CZTYEAQIEMUWPA-WQLSENKSSA-N 0 0 184.323 3.532 10 0 AHAERN CC[C@@H](C)CC(=O)[C@H](C)CC(C)C ZINC000393550644 573697388 /nfs/dbraw/zinc/69/73/88/573697388.db2.gz DSWPSFYHFLTOLU-GHMZBOCLSA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@@H](C)CC(=O)[C@@H](C)CC(C)C ZINC000393550646 573689766 /nfs/dbraw/zinc/68/97/66/573689766.db2.gz DSWPSFYHFLTOLU-MNOVXSKESA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@H](C)CC(=O)[C@@H](C)CC(C)C ZINC000393550648 573410317 /nfs/dbraw/zinc/41/03/17/573410317.db2.gz DSWPSFYHFLTOLU-QWRGUYRKSA-N 0 0 184.323 3.674 10 0 AHAERN CC[C@H](C)CC(=O)[C@H](C)CC(C)C ZINC000393550649 573694055 /nfs/dbraw/zinc/69/40/55/573694055.db2.gz DSWPSFYHFLTOLU-WDEREUQCSA-N 0 0 184.323 3.674 10 0 AHAERN CCC(=O)[C@@H](C)CC1(C)CCCC1 ZINC000393562671 573777506 /nfs/dbraw/zinc/77/75/06/573777506.db2.gz ATEHWGZMHOFBHC-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCC(=O)[C@H](C)CC1(C)CCCC1 ZINC000393562672 573777834 /nfs/dbraw/zinc/77/78/34/573777834.db2.gz ATEHWGZMHOFBHC-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(C)(C)CSCc1ccco1 ZINC000393563836 573806042 /nfs/dbraw/zinc/80/60/42/573806042.db2.gz FTKOYQXAZBXVRZ-UHFFFAOYSA-N 0 0 198.331 3.949 10 0 AHAERN CC(C)(C)CCC(=O)CCCCF ZINC000393577815 573232854 /nfs/dbraw/zinc/23/28/54/573232854.db2.gz ACIVPUYIOWJUPI-UHFFFAOYSA-N 0 0 188.286 3.522 10 0 AHAERN CCC[C@@](O)(CC)CC1(C)CCCC1 ZINC000393654271 573956407 /nfs/dbraw/zinc/95/64/07/573956407.db2.gz DYWJLBSPPQAFCV-ZDUSSCGKSA-N 0 0 198.350 3.898 10 0 AHAERN C/C=C/c1ccc(NCCCC)cc1 ZINC000393658541 573158450 /nfs/dbraw/zinc/15/84/50/573158450.db2.gz POIOLNKJORAGGZ-GQCTYLIASA-N 0 0 189.302 3.932 10 0 AHAERN C/C=C\c1ccc(NCCCC)cc1 ZINC000393658542 573156445 /nfs/dbraw/zinc/15/64/45/573156445.db2.gz POIOLNKJORAGGZ-XQRVVYSFSA-N 0 0 189.302 3.932 10 0 AHAERN CC(C)C[C@@H]1CCC/C(=C/[C@H](C)O)C1 ZINC000393670280 346580500 /nfs/dbraw/zinc/58/05/00/346580500.db2.gz FYHIZSWVAFKSDL-JTXXYJNRSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@H]1CCC/C(=C/[C@H](C)O)C1 ZINC000393670281 346580667 /nfs/dbraw/zinc/58/06/67/346580667.db2.gz FYHIZSWVAFKSDL-WJOSTPCTSA-N 0 0 196.334 3.530 10 0 AHAERN CC/C(=C\C1(C)CCCCCC1)CO ZINC000394667986 346584819 /nfs/dbraw/zinc/58/48/19/346584819.db2.gz OEDMNISNSIOJBS-ZRDIBKRKSA-N 0 0 196.334 3.676 10 0 AHAERN CCCC[C@H](C)[C@@H](O)CC1=CCCC1 ZINC000400369621 571849813 /nfs/dbraw/zinc/84/98/13/571849813.db2.gz BJWNQPPHMZVLPN-AAEUAGOBSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@@H](C)[C@H](O)CC1=CCCC1 ZINC000400369623 571848885 /nfs/dbraw/zinc/84/88/85/571848885.db2.gz BJWNQPPHMZVLPN-DGCLKSJQSA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@H](C)[C@H](O)CC1=CCCC1 ZINC000400369624 571846592 /nfs/dbraw/zinc/84/65/92/571846592.db2.gz BJWNQPPHMZVLPN-WCQYABFASA-N 0 0 196.334 3.674 10 0 AHAERN CCCC[C@@H](C)[C@@H](O)CC1=CCCC1 ZINC000400369625 571850342 /nfs/dbraw/zinc/85/03/42/571850342.db2.gz BJWNQPPHMZVLPN-YPMHNXCESA-N 0 0 196.334 3.674 10 0 AHAERN C[C@H]([C@@H](O)CC1=CCCC1)C(C)(C)C ZINC000400393645 573980486 /nfs/dbraw/zinc/98/04/86/573980486.db2.gz QEAQGYCTKJPABO-PWSUYJOCSA-N 0 0 196.334 3.530 10 0 AHAERN C[C@H]([C@H](O)CC1=CCCC1)C(C)(C)C ZINC000400393647 573977372 /nfs/dbraw/zinc/97/73/72/573977372.db2.gz QEAQGYCTKJPABO-ZYHUDNBSSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C[C@@H](C)CC(=O)CC1(C)CC1 ZINC000401316373 571923043 /nfs/dbraw/zinc/92/30/43/571923043.db2.gz DLTKSCUVZIZIQX-LLVKDONJSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C[C@H](C)CC(=O)CC1(C)CC1 ZINC000401316374 571922039 /nfs/dbraw/zinc/92/20/39/571922039.db2.gz DLTKSCUVZIZIQX-NSHDSACASA-N 0 0 196.334 3.818 10 0 AHAERN CC1(CC(=O)CC2CCCCC2)CC1 ZINC000401378002 571937887 /nfs/dbraw/zinc/93/78/87/571937887.db2.gz NOLOLUXMRMEUHV-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CCC(CC)[C@@H](O)C[C@@H]1CC=CCC1 ZINC000402231781 572055266 /nfs/dbraw/zinc/05/52/66/572055266.db2.gz YTGQHDUQVWVPGQ-YPMHNXCESA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)(C)[C@H](O)CC[C@H]1CC=CCC1 ZINC000402275894 572102984 /nfs/dbraw/zinc/10/29/84/572102984.db2.gz VHTJXRGTGHQVBV-NWDGAFQWSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)(C)[C@@H](O)CC[C@H]1CC=CCC1 ZINC000402275895 572103830 /nfs/dbraw/zinc/10/38/30/572103830.db2.gz VHTJXRGTGHQVBV-RYUDHWBXSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)(C)[C@H](O)CC[C@@H]1CC=CCC1 ZINC000402275897 572103176 /nfs/dbraw/zinc/10/31/76/572103176.db2.gz VHTJXRGTGHQVBV-VXGBXAGGSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)CCC(=O)CC(C)(C)C1CC1 ZINC000405828921 572946744 /nfs/dbraw/zinc/94/67/44/572946744.db2.gz MWMQZAKSPQXTGI-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CCCC[C@@](C)(O)CCCC1CC1 ZINC000406036297 572353152 /nfs/dbraw/zinc/35/31/52/572353152.db2.gz NJMPNQUAGSXIIP-GFCCVEGCSA-N 0 0 184.323 3.508 10 0 AHAERN CC[C@@](O)(CCCC1CC1)C(C)(C)C ZINC000406049792 572383101 /nfs/dbraw/zinc/38/31/01/572383101.db2.gz YFOKUSMIEUOKCO-CYBMUJFWSA-N 0 0 198.350 3.754 10 0 AHAERN Cc1ccc(CF)c2ccccc12 ZINC000498036369 346708836 /nfs/dbraw/zinc/70/88/36/346708836.db2.gz DRLDFYFGAQQSOZ-UHFFFAOYSA-N 0 0 174.218 3.618 10 0 AHAERN Cc1ccc2ccc(CF)cc2c1 ZINC000498036681 371816705 /nfs/dbraw/zinc/81/67/05/371816705.db2.gz SJFOBTURGOYGOO-UHFFFAOYSA-N 0 0 174.218 3.618 10 0 AHAERN C/C=C/C(C)=C/c1ccc(OC)cc1 ZINC000498049465 352162573 /nfs/dbraw/zinc/16/25/73/352162573.db2.gz VZWIJSKUHMHFMT-PMXBNEBOSA-N 0 0 188.270 3.675 10 0 AHAERN Cc1c(N)cccc1C1CCCCC1 ZINC000536949496 325667545 /nfs/dbraw/zinc/66/75/45/325667545.db2.gz BYYJYFCFDBDDAB-UHFFFAOYSA-N 0 0 189.302 3.625 10 0 AHAERN C[C@@H]1CCC[C@@H](c2cccc(N)c2)C1 ZINC000536949556 352189679 /nfs/dbraw/zinc/18/96/79/352189679.db2.gz DGWULJJMQATFFR-GHMZBOCLSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@@H]1CCC[C@H](c2cccc(N)c2)C1 ZINC000536949565 352189648 /nfs/dbraw/zinc/18/96/48/352189648.db2.gz DGWULJJMQATFFR-MNOVXSKESA-N 0 0 189.302 3.563 10 0 AHAERN C[C@H]1CCC[C@H](c2cccc(N)c2)C1 ZINC000536949566 352189790 /nfs/dbraw/zinc/18/97/90/352189790.db2.gz DGWULJJMQATFFR-QWRGUYRKSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@H]1CCC[C@@H](c2cccc(N)c2)C1 ZINC000536949567 352189589 /nfs/dbraw/zinc/18/95/89/352189589.db2.gz DGWULJJMQATFFR-WDEREUQCSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@H]1CCCC[C@@H]1c1cccc(N)c1 ZINC000536950017 352190230 /nfs/dbraw/zinc/19/02/30/352190230.db2.gz INDHEFCJYVQTNN-GWCFXTLKSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@H]1CCCC[C@H]1c1cccc(N)c1 ZINC000536950018 352190219 /nfs/dbraw/zinc/19/02/19/352190219.db2.gz INDHEFCJYVQTNN-GXFFZTMASA-N 0 0 189.302 3.563 10 0 AHAERN C[C@@H]1CCCC[C@@H]1c1cccc(N)c1 ZINC000536950019 352190238 /nfs/dbraw/zinc/19/02/38/352190238.db2.gz INDHEFCJYVQTNN-MFKMUULPSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@@H]1CCCC[C@H]1c1cccc(N)c1 ZINC000536950020 352190311 /nfs/dbraw/zinc/19/03/11/352190311.db2.gz INDHEFCJYVQTNN-ZWNOBZJWSA-N 0 0 189.302 3.563 10 0 AHAERN Cc1cc(N)cc(C2CCCCC2)c1 ZINC000536950098 325667937 /nfs/dbraw/zinc/66/79/37/325667937.db2.gz KYCGELCESPDQCX-UHFFFAOYSA-N 0 0 189.302 3.625 10 0 AHAERN CC1CCC(c2cccc(N)c2)CC1 ZINC000536950127 352189958 /nfs/dbraw/zinc/18/99/58/352189958.db2.gz LZKGMSWEROZIKD-UHFFFAOYSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@H]1CCCC[C@@H]1c1ccc(N)cc1 ZINC000536950595 352190497 /nfs/dbraw/zinc/19/04/97/352190497.db2.gz UXTKXLJCYGHBHN-GWCFXTLKSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@H]1CCCC[C@H]1c1ccc(N)cc1 ZINC000536950597 352190362 /nfs/dbraw/zinc/19/03/62/352190362.db2.gz UXTKXLJCYGHBHN-GXFFZTMASA-N 0 0 189.302 3.563 10 0 AHAERN C[C@@H]1CCCC[C@@H]1c1ccc(N)cc1 ZINC000536950599 352190464 /nfs/dbraw/zinc/19/04/64/352190464.db2.gz UXTKXLJCYGHBHN-MFKMUULPSA-N 0 0 189.302 3.563 10 0 AHAERN C[C@@H]1CCCC[C@H]1c1ccc(N)cc1 ZINC000536950600 352190328 /nfs/dbraw/zinc/19/03/28/352190328.db2.gz UXTKXLJCYGHBHN-ZWNOBZJWSA-N 0 0 189.302 3.563 10 0 AHAERN FC1(F)CCC2(CCCC2)CC1 ZINC000536951716 346712486 /nfs/dbraw/zinc/71/24/86/346712486.db2.gz ZKDNSSJSVROXMX-UHFFFAOYSA-N 0 0 174.234 3.756 10 0 AHAERN CC[C@@H](C)CSc1ccsc1 ZINC000536952045 346712501 /nfs/dbraw/zinc/71/25/01/346712501.db2.gz AHJBMZZJXNJWHC-MRVPVSSYSA-N 0 0 186.345 3.886 10 0 AHAERN CCC[C@@H]1CNc2c1cccc2CC ZINC000536952165 325668447 /nfs/dbraw/zinc/66/84/47/325668447.db2.gz AZQXDEWAMIXOLK-LLVKDONJSA-N 0 0 189.302 3.558 10 0 AHAERN CCC[C@H]1CNc2c1cccc2CC ZINC000536952172 325668390 /nfs/dbraw/zinc/66/83/90/325668390.db2.gz AZQXDEWAMIXOLK-NSHDSACASA-N 0 0 189.302 3.558 10 0 AHAERN Cc1ccc([C@H]2C=CCCC2)s1 ZINC000536952355 325668484 /nfs/dbraw/zinc/66/84/84/325668484.db2.gz CJXMSQHQXJQQEO-JTQLQIEISA-N 0 0 178.300 3.880 10 0 AHAERN Cc1ccc([C@@H]2C=CCCC2)s1 ZINC000536952360 325668457 /nfs/dbraw/zinc/66/84/57/325668457.db2.gz CJXMSQHQXJQQEO-SNVBAGLBSA-N 0 0 178.300 3.880 10 0 AHAERN CC(C)c1cc([C@H]2C=CCCC2)on1 ZINC000536953070 352191454 /nfs/dbraw/zinc/19/14/54/352191454.db2.gz HOIVFYVNWBUGSZ-JTQLQIEISA-N 0 0 191.274 3.622 10 0 AHAERN CC1(C)CCC2(CC1)CCC=CCO2 ZINC000536953074 325669153 /nfs/dbraw/zinc/66/91/53/325669153.db2.gz FJJZFKXRIOBDHB-UHFFFAOYSA-N 0 0 194.318 3.692 10 0 AHAERN CC(C)c1cc([C@@H]2C=CCCC2)on1 ZINC000536953080 352191445 /nfs/dbraw/zinc/19/14/45/352191445.db2.gz HOIVFYVNWBUGSZ-SNVBAGLBSA-N 0 0 191.274 3.622 10 0 AHAERN CC1(C)CCC[C@@]2(C1)CCC=CCO2 ZINC000536954042 325670006 /nfs/dbraw/zinc/67/00/06/325670006.db2.gz JCHCDGZQUALCDK-CYBMUJFWSA-N 0 0 194.318 3.692 10 0 AHAERN CC1(C)CCC[C@]2(C1)CCC=CCO2 ZINC000536954043 352191849 /nfs/dbraw/zinc/19/18/49/352191849.db2.gz JCHCDGZQUALCDK-ZDUSSCGKSA-N 0 0 194.318 3.692 10 0 AHAERN CCC1CCC2(CC1)CCC=CCO2 ZINC000536954099 352192058 /nfs/dbraw/zinc/19/20/58/352192058.db2.gz JLQGFCAFGWVFRT-UHFFFAOYSA-N 0 0 194.318 3.692 10 0 AHAERN C[C@@H]1CCC[C@H](C)[C@@]12CCC=CCO2 ZINC000536955110 352192794 /nfs/dbraw/zinc/19/27/94/352192794.db2.gz OEZTWJANKCCOGB-CLLJXQQHSA-N 0 0 194.318 3.548 10 0 AHAERN C[C@H]1CCC[C@H](C)C12CCC=CCO2 ZINC000536955120 325670771 /nfs/dbraw/zinc/67/07/71/325670771.db2.gz OEZTWJANKCCOGB-RYUDHWBXSA-N 0 0 194.318 3.548 10 0 AHAERN C[C@@H]1CCC[C@@H](C)C12CCC=CCO2 ZINC000536955122 325670746 /nfs/dbraw/zinc/67/07/46/325670746.db2.gz OEZTWJANKCCOGB-VXGBXAGGSA-N 0 0 194.318 3.548 10 0 AHAERN Cc1nc(C2C(C)(C)C2(C)C)cs1 ZINC000536955146 352192779 /nfs/dbraw/zinc/19/27/79/352192779.db2.gz PCFQOMKYVZWUHF-UHFFFAOYSA-N 0 0 195.331 3.601 10 0 AHAERN C[C@H]1CC(C)(C)C[C@@]12CCC=CCO2 ZINC000536956169 346712297 /nfs/dbraw/zinc/71/22/97/346712297.db2.gz WBMYAYXTEAOEFP-AAEUAGOBSA-N 0 0 194.318 3.548 10 0 AHAERN C[C@@H]1CC(C)(C)C[C@]12CCC=CCO2 ZINC000536956173 346712458 /nfs/dbraw/zinc/71/24/58/346712458.db2.gz WBMYAYXTEAOEFP-DGCLKSJQSA-N 0 0 194.318 3.548 10 0 AHAERN C[C@H]1CC(C)(C)C[C@]12CCC=CCO2 ZINC000536956175 346712788 /nfs/dbraw/zinc/71/27/88/346712788.db2.gz WBMYAYXTEAOEFP-WCQYABFASA-N 0 0 194.318 3.548 10 0 AHAERN C[C@@H]1CC(C)(C)C[C@@]12CCC=CCO2 ZINC000536956177 346712865 /nfs/dbraw/zinc/71/28/65/346712865.db2.gz WBMYAYXTEAOEFP-YPMHNXCESA-N 0 0 194.318 3.548 10 0 AHAERN CC[C@@H]1CCC[C@@]2(C1)CCC=CCO2 ZINC000536956512 346712817 /nfs/dbraw/zinc/71/28/17/346712817.db2.gz XTVXKYYQSMDKIE-CHWSQXEVSA-N 0 0 194.318 3.692 10 0 AHAERN CC[C@@H]1CCC[C@]2(C1)CCC=CCO2 ZINC000536956513 346712958 /nfs/dbraw/zinc/71/29/58/346712958.db2.gz XTVXKYYQSMDKIE-OLZOCXBDSA-N 0 0 194.318 3.692 10 0 AHAERN CC[C@H]1CCC[C@@]2(C1)CCC=CCO2 ZINC000536956514 346712942 /nfs/dbraw/zinc/71/29/42/346712942.db2.gz XTVXKYYQSMDKIE-QWHCGFSZSA-N 0 0 194.318 3.692 10 0 AHAERN CC[C@H]1CCC[C@]2(C1)CCC=CCO2 ZINC000536956515 346712854 /nfs/dbraw/zinc/71/28/54/346712854.db2.gz XTVXKYYQSMDKIE-STQMWFEESA-N 0 0 194.318 3.692 10 0 AHAERN Cc1cc(C)cc(C(C)(C)C)c1 ZINC000575110646 352195695 /nfs/dbraw/zinc/19/56/95/352195695.db2.gz JTUSCTBNTCGAHF-UHFFFAOYSA-N 0 0 161.268 3.668 10 0 AHAERN CCCCCCc1ccccc1 ZINC000575114446 352195652 /nfs/dbraw/zinc/19/56/52/352195652.db2.gz FRLURCCUAOPBMY-UHFFFAOYSA-N 0 0 161.268 3.812 10 0 AHAERN CCCCCOc1c(F)cccc1F ZINC000575154559 346713634 /nfs/dbraw/zinc/71/36/34/346713634.db2.gz AGIOPXJOEIHNCC-UHFFFAOYSA-N 0 0 199.220 3.601 10 0 AHAERN CCCCCOc1ccc(F)c(F)c1 ZINC000575154737 346713512 /nfs/dbraw/zinc/71/35/12/346713512.db2.gz HSJKPSJSPGHXOD-UHFFFAOYSA-N 0 0 199.220 3.601 10 0 AHAERN CCCCCOc1c(C)cccc1C ZINC000575154752 346713471 /nfs/dbraw/zinc/71/34/71/346713471.db2.gz IYNDBIUVOVAFEF-UHFFFAOYSA-N 0 0 191.294 3.786 10 0 AHAERN CCCCCOc1ccc(F)cc1F ZINC000575154799 346713972 /nfs/dbraw/zinc/71/39/72/346713972.db2.gz KHWQAOWPHNUWEM-UHFFFAOYSA-N 0 0 199.220 3.601 10 0 AHAERN CC(C)CCSc1ccccc1 ZINC000575154838 346714129 /nfs/dbraw/zinc/71/41/29/346714129.db2.gz LZPKPZNRCYFTKH-UHFFFAOYSA-N 0 0 179.308 3.579 10 0 AHAERN CCCc1ccc(-c2ccccc2)cc1 ZINC000575154873 346713943 /nfs/dbraw/zinc/71/39/43/346713943.db2.gz UVIFKYSBFYVDPU-UHFFFAOYSA-N 0 0 195.285 3.952 10 0 AHAERN CCCCCOc1ccccc1Cl ZINC000575154944 346714787 /nfs/dbraw/zinc/71/47/87/346714787.db2.gz RGUDERLNABDHOB-UHFFFAOYSA-N 0 0 197.685 3.573 10 0 AHAERN CCCCCOc1cccc(F)c1F ZINC000575154962 346714615 /nfs/dbraw/zinc/71/46/15/346714615.db2.gz SMIMJOMOKYLJAT-UHFFFAOYSA-N 0 0 199.220 3.601 10 0 AHAERN CCCCCOc1ccc(Cl)cc1 ZINC000575154978 346714696 /nfs/dbraw/zinc/71/46/96/346714696.db2.gz UJQFEQXTQVXDQF-UHFFFAOYSA-N 0 0 197.685 3.573 10 0 AHAERN CCCCCOc1cc(C)cc(C)c1 ZINC000575155012 346714580 /nfs/dbraw/zinc/71/45/80/346714580.db2.gz XFJPCWMQZWJBNZ-UHFFFAOYSA-N 0 0 191.294 3.786 10 0 AHAERN CCCCCSc1ccccc1 ZINC000575155041 346714779 /nfs/dbraw/zinc/71/47/79/346714779.db2.gz ZIIDVCMRVZUSPP-UHFFFAOYSA-N 0 0 179.308 3.723 10 0 AHAERN Cc1cccc(C)c1OCCC(C)C ZINC000575190639 352196357 /nfs/dbraw/zinc/19/63/57/352196357.db2.gz NGZMWCIWINCFNT-UHFFFAOYSA-N 0 0 191.294 3.642 10 0 AHAERN Cc1cccc(C)c1OC1CCCC1 ZINC000575191128 352196315 /nfs/dbraw/zinc/19/63/15/352196315.db2.gz FOQRAWFIPJHGSC-UHFFFAOYSA-N 0 0 189.278 3.539 10 0 AHAERN c1ccc(OC2CCCCCC2)cc1 ZINC000575191160 352196369 /nfs/dbraw/zinc/19/63/69/352196369.db2.gz IUOXVNOMXNQKEE-UHFFFAOYSA-N 0 0 189.278 3.539 10 0 AHAERN c1ccc(SC2CCCCC2)cc1 ZINC000575191179 352196311 /nfs/dbraw/zinc/19/63/11/352196311.db2.gz LINDRDRUCMAFBT-UHFFFAOYSA-N 0 0 191.319 3.865 10 0 AHAERN CCCCCCOc1ccccc1F ZINC000575191188 352196379 /nfs/dbraw/zinc/19/63/79/352196379.db2.gz MHYYJOLZWBQLGA-UHFFFAOYSA-N 0 0 195.257 3.694 10 0 AHAERN Cc1cc(C)cc(OCCC(C)C)c1 ZINC000575191201 352196974 /nfs/dbraw/zinc/19/69/74/352196974.db2.gz OLRQNMUZOFNRRK-UHFFFAOYSA-N 0 0 191.294 3.642 10 0 AHAERN Cc1ccccc1OC1CCCCC1 ZINC000575191208 352196834 /nfs/dbraw/zinc/19/68/34/352196834.db2.gz PSEGTNXQAXAAAS-UHFFFAOYSA-N 0 0 189.278 3.539 10 0 AHAERN CCCCCCOc1ccc(F)cc1 ZINC000575191223 352196896 /nfs/dbraw/zinc/19/68/96/352196896.db2.gz SACIUNSZSBCKNL-UHFFFAOYSA-N 0 0 195.257 3.694 10 0 AHAERN Cc1cc(C)cc(OC2CCCC2)c1 ZINC000575191256 352196884 /nfs/dbraw/zinc/19/68/84/352196884.db2.gz VJYYNNIYJLRXLR-UHFFFAOYSA-N 0 0 189.278 3.539 10 0 AHAERN Cc1cccc(OC2CCCCC2)c1 ZINC000575191263 352197000 /nfs/dbraw/zinc/19/70/00/352197000.db2.gz VXXKDBAVONADQC-UHFFFAOYSA-N 0 0 189.278 3.539 10 0 AHAERN CCCCCCOc1cccc(F)c1 ZINC000575191265 352196849 /nfs/dbraw/zinc/19/68/49/352196849.db2.gz WDPOUIPWYIGTKY-UHFFFAOYSA-N 0 0 195.257 3.694 10 0 AHAERN CSc1ccccc1-c1ccccc1 ZINC000575191269 352196809 /nfs/dbraw/zinc/19/68/09/352196809.db2.gz WKQPWTQMNXOGBS-UHFFFAOYSA-N 0 0 199.298 3.721 10 0 AHAERN Cc1ccc(OC2CCCCC2)cc1 ZINC000575191287 352196886 /nfs/dbraw/zinc/19/68/86/352196886.db2.gz ZGKKGMMXMKQZGH-UHFFFAOYSA-N 0 0 189.278 3.539 10 0 AHAERN Cc1ccccc1OC1CCCCC1 ZINC000575191288 352196901 /nfs/dbraw/zinc/19/69/01/352196901.db2.gz ZIWIUYAXXRIYGO-UHFFFAOYSA-N 0 0 189.278 3.539 10 0 AHAERN CCCCCCOc1ccc(C)cc1 ZINC000575191294 352196872 /nfs/dbraw/zinc/19/68/72/352196872.db2.gz ZYAZIPGIZFPQRM-UHFFFAOYSA-N 0 0 191.294 3.786 10 0 AHAERN CC(C)(C)c1cc2cc[nH]c2c(F)c1 ZINC000575436575 352202662 /nfs/dbraw/zinc/20/26/62/352202662.db2.gz LRGFTVQBHCDCFP-UHFFFAOYSA-N 0 0 191.249 3.605 10 0 AHAERN C[C@@H](Nc1ccsc1)C(C)(C)C ZINC000575475650 352293220 /nfs/dbraw/zinc/29/32/20/352293220.db2.gz JKEITECILNHTNO-MRVPVSSYSA-N 0 0 183.320 3.595 10 0 AHAERN C[C@H](Nc1ccsc1)C(C)(C)C ZINC000575475651 352293010 /nfs/dbraw/zinc/29/30/10/352293010.db2.gz JKEITECILNHTNO-QMMMGPOBSA-N 0 0 183.320 3.595 10 0 AHAERN CCc1ccc(NC(C)C)cc1Cl ZINC000575478495 352296172 /nfs/dbraw/zinc/29/61/72/352296172.db2.gz ANGBYKMPGSWHRP-UHFFFAOYSA-N 0 0 197.709 3.723 10 0 AHAERN Cc1cc(NC2CC2)cc(C)c1Cl ZINC000575480537 352305371 /nfs/dbraw/zinc/30/53/71/352305371.db2.gz MSWBZMNCTPRMSR-UHFFFAOYSA-N 0 0 195.693 3.531 10 0 AHAERN CCCNc1cc(C)c(Cl)c(C)c1 ZINC000575482142 352314828 /nfs/dbraw/zinc/31/48/28/352314828.db2.gz VZUNEIVZRIMZMI-UHFFFAOYSA-N 0 0 197.709 3.779 10 0 AHAERN Cc1cscc1N[C@H](C)C(C)(C)C ZINC000575505397 352430943 /nfs/dbraw/zinc/43/09/43/352430943.db2.gz NXGGSWSTJWSUAU-SECBINFHSA-N 0 0 197.347 3.903 10 0 AHAERN Cc1cscc1N[C@@H](C)C(C)(C)C ZINC000575505399 352431105 /nfs/dbraw/zinc/43/11/05/352431105.db2.gz NXGGSWSTJWSUAU-VIFPVBQESA-N 0 0 197.347 3.903 10 0 AHAERN Cc1c(N)csc1C1CCCCC1 ZINC000575531199 352560177 /nfs/dbraw/zinc/56/01/77/352560177.db2.gz HTSXNLKFNKRJLT-UHFFFAOYSA-N 0 0 195.331 3.686 10 0 AHAERN CCC(=O)c1cc2cscc2s1 ZINC000575534091 352573530 /nfs/dbraw/zinc/57/35/30/352573530.db2.gz NUEGBSATAYDKFK-UHFFFAOYSA-N 0 0 196.296 3.556 10 0 AHAERN Cc1cscc1NC[C@H]1CC1(C)C ZINC000575576921 352759018 /nfs/dbraw/zinc/75/90/18/352759018.db2.gz NEFGLTSGNDHGJW-SECBINFHSA-N 0 0 195.331 3.515 10 0 AHAERN Cc1cscc1NC[C@@H]1CC1(C)C ZINC000575576954 352759178 /nfs/dbraw/zinc/75/91/78/352759178.db2.gz NEFGLTSGNDHGJW-VIFPVBQESA-N 0 0 195.331 3.515 10 0 AHAERN CCC(C)(C)[C@H]1CCCCCC1=O ZINC000575595307 352854700 /nfs/dbraw/zinc/85/47/00/352854700.db2.gz BHPDLIPHMLPLHU-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCC(C)(C)[C@@H]1CCCCCC1=O ZINC000575595308 352854811 /nfs/dbraw/zinc/85/48/11/352854811.db2.gz BHPDLIPHMLPLHU-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(C)(C)[C@H]1CCCCC(=O)C1 ZINC000575595339 352854375 /nfs/dbraw/zinc/85/43/75/352854375.db2.gz CSQMQUVMXDYHHT-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCC(C)(C)[C@@H]1CCCCC(=O)C1 ZINC000575595340 352854498 /nfs/dbraw/zinc/85/44/98/352854498.db2.gz CSQMQUVMXDYHHT-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CCc1cc(C(F)F)c(F)cc1C ZINC000575670401 352884556 /nfs/dbraw/zinc/88/45/56/352884556.db2.gz GXQMRLTYNAEJPE-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(F)c(C)cc1C(F)F ZINC000575670418 352884463 /nfs/dbraw/zinc/88/44/63/352884463.db2.gz HIYYURKAGBSYQG-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(C(F)F)c(C)cc1F ZINC000575670475 352884519 /nfs/dbraw/zinc/88/45/19/352884519.db2.gz INCMSWHVONZEQO-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(F)cc(C(F)F)c1C ZINC000575670492 352884951 /nfs/dbraw/zinc/88/49/51/352884951.db2.gz JCKJZFCQIUYSOX-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(C(F)F)cc(C)c1C ZINC000575670817 352885418 /nfs/dbraw/zinc/88/54/18/352885418.db2.gz BNFQMFOLQIPUIN-UHFFFAOYSA-N 0 0 184.229 3.803 10 0 AHAERN CCc1cc(C)c(C(F)F)c(F)c1 ZINC000575670934 352885564 /nfs/dbraw/zinc/88/55/64/352885564.db2.gz NZGRDSVOKHMTFF-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1c(C)cc(C(F)F)cc1C ZINC000575670988 352885235 /nfs/dbraw/zinc/88/52/35/352885235.db2.gz FISQHMCQXVPRHN-UHFFFAOYSA-N 0 0 184.229 3.803 10 0 AHAERN CCc1cc(C)c(C(F)F)cc1F ZINC000575671011 352885649 /nfs/dbraw/zinc/88/56/49/352885649.db2.gz OXPTZILFYWQTIU-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1c(C)cc(F)cc1C(F)F ZINC000575671046 352885524 /nfs/dbraw/zinc/88/55/24/352885524.db2.gz PJGYIZLLFLTOKD-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(F)c(C)c(C(F)F)c1 ZINC000575671058 352885374 /nfs/dbraw/zinc/88/53/74/352885374.db2.gz PMTQCMKDEODROK-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(C)cc(C(F)F)c1C ZINC000575671066 352885323 /nfs/dbraw/zinc/88/53/23/352885323.db2.gz GVYXQEITAVIJPY-UHFFFAOYSA-N 0 0 184.229 3.803 10 0 AHAERN CCc1cc(C)c(C(F)F)c(C)c1 ZINC000575671295 352885269 /nfs/dbraw/zinc/88/52/69/352885269.db2.gz HYYHMXKJTHUYNX-UHFFFAOYSA-N 0 0 184.229 3.803 10 0 AHAERN CCc1ccc(C(F)F)c(C)c1F ZINC000575671310 352886142 /nfs/dbraw/zinc/88/61/42/352886142.db2.gz QQBOOBHHVUWYQE-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(C)cc(C)c1C(F)F ZINC000575671665 352886174 /nfs/dbraw/zinc/88/61/74/352886174.db2.gz NUYFCMPRLGYGDL-UHFFFAOYSA-N 0 0 184.229 3.803 10 0 AHAERN CCc1cc(C(F)F)cc(F)c1C ZINC000575671779 352886175 /nfs/dbraw/zinc/88/61/75/352886175.db2.gz XHRIJGSOZOCDHL-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1c(F)cc(C)cc1C(F)F ZINC000575671788 352886103 /nfs/dbraw/zinc/88/61/03/352886103.db2.gz XLSMRNVESPMBAZ-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(F)c(C(F)F)cc1C ZINC000575671811 352886190 /nfs/dbraw/zinc/88/61/90/352886190.db2.gz XQQDLVOXVOQDMF-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(C)cc(F)c1C(F)F ZINC000575671817 352886125 /nfs/dbraw/zinc/88/61/25/352886125.db2.gz XSIPFNLIRAOVGK-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(C)c(F)c(C(F)F)c1 ZINC000575671833 352886168 /nfs/dbraw/zinc/88/61/68/352886168.db2.gz YEQGCALWZAJWRU-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(C)c(C(F)F)cc1C ZINC000575671843 352886128 /nfs/dbraw/zinc/88/61/28/352886128.db2.gz PGQRJCLHBKRTLQ-UHFFFAOYSA-N 0 0 184.229 3.803 10 0 AHAERN CCc1cc(C)c(C)c(C(F)F)c1 ZINC000575671847 352886160 /nfs/dbraw/zinc/88/61/60/352886160.db2.gz PNSSANMUXQASMZ-UHFFFAOYSA-N 0 0 184.229 3.803 10 0 AHAERN CCc1cc(F)cc(C)c1C(F)F ZINC000575671897 352886145 /nfs/dbraw/zinc/88/61/45/352886145.db2.gz YZFHNKMWPCRSSX-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1c(C)cc(C(F)F)cc1F ZINC000575671901 352886109 /nfs/dbraw/zinc/88/61/09/352886109.db2.gz YZHWRQGGMYLFLL-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(C)c(F)cc1C(F)F ZINC000575671917 352886105 /nfs/dbraw/zinc/88/61/05/352886105.db2.gz ZAWWYTYPHIUYNX-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(C)cc(C(F)F)c1F ZINC000575671926 352886187 /nfs/dbraw/zinc/88/61/87/352886187.db2.gz ZBSNYELXRUKUIJ-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(C(F)F)cc(C)c1F ZINC000575671931 352886197 /nfs/dbraw/zinc/88/61/97/352886197.db2.gz ZEDZSIBRVVAALV-UHFFFAOYSA-N 0 0 188.192 3.634 10 0 AHAERN CCc1cc(C(F)F)c(C)cc1C ZINC000575672130 352886158 /nfs/dbraw/zinc/88/61/58/352886158.db2.gz XYKSEMXAQVMONQ-UHFFFAOYSA-N 0 0 184.229 3.803 10 0 AHAERN CCc1cc(C)c(C)cc1C(F)F ZINC000575672136 352886113 /nfs/dbraw/zinc/88/61/13/352886113.db2.gz YNYAYOKXBDDOIQ-UHFFFAOYSA-N 0 0 184.229 3.803 10 0 AHAERN CCc1c(C)cc(C)cc1C(F)F ZINC000575672137 352886194 /nfs/dbraw/zinc/88/61/94/352886194.db2.gz YODRVNHNNZLUGZ-UHFFFAOYSA-N 0 0 184.229 3.803 10 0 AHAERN C/C=C/COc1ccccc1CCC ZINC000584593123 346719300 /nfs/dbraw/zinc/71/93/00/346719300.db2.gz HOHMHGBYYOPESP-HWKANZROSA-N 0 0 190.286 3.594 10 0 AHAERN CCSC(CC(C)C)SCC ZINC000584605661 346722736 /nfs/dbraw/zinc/72/27/36/346722736.db2.gz KBQYPGQMPIGMBK-UHFFFAOYSA-N 0 0 192.393 3.865 10 0 AHAERN CO/C=C/[C@H](C)CCCC(C)C ZINC000584606352 346722722 /nfs/dbraw/zinc/72/27/22/346722722.db2.gz RJOFOEMIZKWIKA-ANYFNZRUSA-N 0 0 170.296 3.609 10 0 AHAERN CO/C=C/[C@@H](C)CCCC(C)C ZINC000584606353 346722659 /nfs/dbraw/zinc/72/26/59/346722659.db2.gz RJOFOEMIZKWIKA-FBOQAHMBSA-N 0 0 170.296 3.609 10 0 AHAERN CC[C@@](C)(F)CCc1ccccc1 ZINC000584607390 346723841 /nfs/dbraw/zinc/72/38/41/346723841.db2.gz CDQLLOWVWJHLKR-GFCCVEGCSA-N 0 0 180.266 3.757 10 0 AHAERN CC[C@](C)(F)CCc1ccccc1 ZINC000584607397 346724106 /nfs/dbraw/zinc/72/41/06/346724106.db2.gz CDQLLOWVWJHLKR-LBPRGKRZSA-N 0 0 180.266 3.757 10 0 AHAERN CC(C)[C@H]1CC[C@H](C(C)C)S1 ZINC000584608715 346724589 /nfs/dbraw/zinc/72/45/89/346724589.db2.gz MIYPXPFMWSZQPC-NXEZZACHSA-N 0 0 172.337 3.563 10 0 AHAERN C/C(=C\C(F)(F)F)c1cccs1 ZINC000584609245 346725456 /nfs/dbraw/zinc/72/54/56/346725456.db2.gz BFKOKZFISWQEHX-AATRIKPKSA-N 0 0 192.205 3.714 10 0 AHAERN F/C(Cl)=C(\F)c1ccc(F)cc1 ZINC000584609285 346725540 /nfs/dbraw/zinc/72/55/40/346725540.db2.gz FKWGVERPLMQTBD-FPLPWBNLSA-N 0 0 192.567 3.630 10 0 AHAERN C/C(=C\COC(C)(C)C)C(C)(C)C ZINC000584609418 410122425 /nfs/dbraw/zinc/12/24/25/410122425.db2.gz MRHWUKDQKMGPNM-CSKARUKUSA-N 0 0 184.323 3.794 10 0 AHAERN CC(C)(C)/C=C/C[Si](C)(C)C ZINC000584609526 371836591 /nfs/dbraw/zinc/83/65/91/371836591.db2.gz RMDGQGZJWUDYED-BQYQJAHWSA-N 0 0 170.372 3.927 10 0 AHAERN FC(F)(F)[C@@H]1C/C1=C\c1ccccc1 ZINC000584609553 371836580 /nfs/dbraw/zinc/83/65/80/371836580.db2.gz SKSDBDBSTLJAMJ-OLKPEBQYSA-N 0 0 198.187 3.652 10 0 AHAERN FC(F)(F)[C@H]1C/C1=C\c1ccccc1 ZINC000584609555 371836573 /nfs/dbraw/zinc/83/65/73/371836573.db2.gz SKSDBDBSTLJAMJ-ZKXNXJMVSA-N 0 0 198.187 3.652 10 0 AHAERN Cc1ccc([C@@]2(C)C=CCS2)cc1 ZINC000584610490 346727107 /nfs/dbraw/zinc/72/71/07/346727107.db2.gz BTHPLSUWZUMQGU-GFCCVEGCSA-N 0 0 190.311 3.513 10 0 AHAERN CC1=C([C@@H]2C=CCC2)CCCC1 ZINC000584610810 346727554 /nfs/dbraw/zinc/72/75/54/346727554.db2.gz RWMGAOBETYXOGY-LLVKDONJSA-N 0 0 162.276 3.843 10 0 AHAERN F/C(Cl)=C(/F)c1ccc(F)cc1 ZINC000584610940 346727789 /nfs/dbraw/zinc/72/77/89/346727789.db2.gz FKWGVERPLMQTBD-BQYQJAHWSA-N 0 0 192.567 3.630 10 0 AHAERN F/C=C\c1cccc2ccccc12 ZINC000584610954 346727532 /nfs/dbraw/zinc/72/75/32/346727532.db2.gz GRIXOBHPFFEMLW-HJWRWDBZSA-N 0 0 172.202 3.780 10 0 AHAERN C/C=C(/c1ccccc1)C(F)(F)F ZINC000584611216 346728215 /nfs/dbraw/zinc/72/82/15/346728215.db2.gz ZRFLVUBSQGESJQ-MBXJOHMKSA-N 0 0 186.176 3.652 10 0 AHAERN CC/C=C1\CSCc2ccccc21 ZINC000584611617 346727974 /nfs/dbraw/zinc/72/79/74/346727974.db2.gz LSQYHESWODQHBL-BJMVGYQFSA-N 0 0 190.311 3.727 10 0 AHAERN Cc1cp(-c2ccco2)cc1C ZINC000584613095 346728585 /nfs/dbraw/zinc/72/85/85/346728585.db2.gz ZBLCONAIBPNZAA-UHFFFAOYSA-N 0 0 178.171 3.872 10 0 AHAERN C1CC2=C(C1)C1=C(CCC1)CC2 ZINC000584613884 375553468 /nfs/dbraw/zinc/55/34/68/375553468.db2.gz LTHGAGKDWXYGBI-UHFFFAOYSA-N 0 0 160.260 3.741 10 0 AHAERN Fc1cc2c(cc1F)C1CCC2CC1 ZINC000584615632 346729471 /nfs/dbraw/zinc/72/94/71/346729471.db2.gz WKFGSDAHWVKUFU-UHFFFAOYSA-N 0 0 194.224 3.720 10 0 AHAERN CCCCCc1cc(F)cc(OC)c1 ZINC000584616558 346730097 /nfs/dbraw/zinc/73/00/97/346730097.db2.gz QVOUPCDUWXHWMT-UHFFFAOYSA-N 0 0 196.265 3.567 10 0 AHAERN Cc1cccc2c1C(C)(C)CC2(C)C ZINC000584618159 346729858 /nfs/dbraw/zinc/72/98/58/346729858.db2.gz FWJKCHOTTMWDTR-UHFFFAOYSA-N 0 0 188.314 3.954 10 0 AHAERN CCn1c(C(C)C)cc2ccccc21 ZINC000584618380 346730050 /nfs/dbraw/zinc/73/00/50/346730050.db2.gz DRWBWAOOPOQESS-UHFFFAOYSA-N 0 0 187.286 3.785 10 0 AHAERN CCCc1cc2ccccc2n1CC ZINC000584618641 346729947 /nfs/dbraw/zinc/72/99/47/346729947.db2.gz NHBWIZKYZULLSY-UHFFFAOYSA-N 0 0 187.286 3.614 10 0 AHAERN CCc1ccccc1-n1cc(C)cc1C ZINC000584619981 346730711 /nfs/dbraw/zinc/73/07/11/346730711.db2.gz XQZSACGBIKUCBI-UHFFFAOYSA-N 0 0 199.297 3.657 10 0 AHAERN Cc1c[nH]c(-c2cccc(Cl)c2)c1 ZINC000584621388 375554205 /nfs/dbraw/zinc/55/42/05/375554205.db2.gz BMSDXWJJBVLTIL-UHFFFAOYSA-N 0 0 191.661 3.644 10 0 AHAERN Cc1cc2c(s1)C(C)=C(C)[C@H]2C ZINC000584623096 352907620 /nfs/dbraw/zinc/90/76/20/352907620.db2.gz DCKUNBSCDKTOMX-MRVPVSSYSA-N 0 0 178.300 3.967 10 0 AHAERN Cc1cc2c(s1)C(C)=C(C)[C@@H]2C ZINC000584623102 352907629 /nfs/dbraw/zinc/90/76/29/352907629.db2.gz DCKUNBSCDKTOMX-QMMMGPOBSA-N 0 0 178.300 3.967 10 0 AHAERN CC(C)=C=CC(C)=C=C(C)C ZINC000584623161 352907610 /nfs/dbraw/zinc/90/76/10/352907610.db2.gz OIJWZPXPYVRFQW-UHFFFAOYSA-N 0 0 148.249 3.619 10 0 AHAERN CCCCCc1ccc(CC)o1 ZINC000584625111 346732257 /nfs/dbraw/zinc/73/22/57/346732257.db2.gz BXCWOSFIMOQNIC-UHFFFAOYSA-N 0 0 166.264 3.575 10 0 AHAERN Cc1ccc([C@]2(C)C=CCS2)cc1 ZINC000584626454 371839424 /nfs/dbraw/zinc/83/94/24/371839424.db2.gz BTHPLSUWZUMQGU-LBPRGKRZSA-N 0 0 190.311 3.513 10 0 AHAERN CCCC[C@@H](C/C=C\CO)CCC ZINC000584626985 346733391 /nfs/dbraw/zinc/73/33/91/346733391.db2.gz YMRXHTAVFYPFRV-DGMVEKRQSA-N 0 0 184.323 3.532 10 0 AHAERN CCCC[C@H](C/C=C\CO)CCC ZINC000584626986 346733385 /nfs/dbraw/zinc/73/33/85/346733385.db2.gz YMRXHTAVFYPFRV-ZHRWSRJISA-N 0 0 184.323 3.532 10 0 AHAERN C(c1ccsc1)=C1CCCC1 ZINC000584629798 346734500 /nfs/dbraw/zinc/73/45/00/346734500.db2.gz VYRNIUFZJNPLCA-UHFFFAOYSA-N 0 0 164.273 3.706 10 0 AHAERN CC/C=C/C=C/c1ccsc1 ZINC000584630323 346734801 /nfs/dbraw/zinc/73/48/01/346734801.db2.gz WCLAIWNULQUDOF-VNKDHWASSA-N 0 0 164.273 3.728 10 0 AHAERN C=CSc1cccc(Cl)c1 ZINC000584631487 346735893 /nfs/dbraw/zinc/73/58/93/346735893.db2.gz XLNSELOLEOBNEV-UHFFFAOYSA-N 0 0 170.664 3.576 10 0 AHAERN CC/C=C1\C[C@H]1c1ccccc1 ZINC000584631719 346735820 /nfs/dbraw/zinc/73/58/20/346735820.db2.gz OGMIKWXNEXQYCM-BCMYLCSRSA-N 0 0 158.244 3.510 10 0 AHAERN CC/C=C1\C[C@@H]1c1ccccc1 ZINC000584631720 346735864 /nfs/dbraw/zinc/73/58/64/346735864.db2.gz OGMIKWXNEXQYCM-IGEMTJHASA-N 0 0 158.244 3.510 10 0 AHAERN C=Cc1cc(C)c(C)cp1 ZINC000584634447 346736984 /nfs/dbraw/zinc/73/69/84/346736984.db2.gz FQWXFBOTUIRYHD-UHFFFAOYSA-N 0 0 150.161 3.527 10 0 AHAERN C=C/C=C/C=C/[C@@H]1CC=CCC1 ZINC000584635101 371841216 /nfs/dbraw/zinc/84/12/16/371841216.db2.gz RYROCDYMUXRQSR-LGXMIVFISA-N 0 0 160.260 3.641 10 0 AHAERN C=C/C=C\C=C\[C@@H]1CC=CCC1 ZINC000584635102 371841292 /nfs/dbraw/zinc/84/12/92/371841292.db2.gz RYROCDYMUXRQSR-QBXXYVCNSA-N 0 0 160.260 3.641 10 0 AHAERN C=C/C=C/C=C/[C@H]1CC=CCC1 ZINC000584635103 371841338 /nfs/dbraw/zinc/84/13/38/371841338.db2.gz RYROCDYMUXRQSR-SNQJZQOOSA-N 0 0 160.260 3.641 10 0 AHAERN C=C/C=C\C=C\[C@H]1CC=CCC1 ZINC000584635105 371841208 /nfs/dbraw/zinc/84/12/08/371841208.db2.gz RYROCDYMUXRQSR-SOFMMVCFSA-N 0 0 160.260 3.641 10 0 AHAERN CCC1=C(F)CCc2ccccc21 ZINC000584635821 346737645 /nfs/dbraw/zinc/73/76/45/346737645.db2.gz ALEOOJYWBGPTIH-UHFFFAOYSA-N 0 0 176.234 3.723 10 0 AHAERN Cc1cscc1-c1cccs1 ZINC000584636215 346738025 /nfs/dbraw/zinc/73/80/25/346738025.db2.gz WVDNNEMVQMRSBG-UHFFFAOYSA-N 0 0 180.297 3.785 10 0 AHAERN CCc1ccc(-c2ccc(CC)o2)o1 ZINC000584636540 346738040 /nfs/dbraw/zinc/73/80/40/346738040.db2.gz DWXDQHPXLBTHMK-UHFFFAOYSA-N 0 0 190.242 3.664 10 0 AHAERN Cc1coc2cc(C)c(Cl)cc12 ZINC000584638301 346738305 /nfs/dbraw/zinc/73/83/05/346738305.db2.gz LARYJSDQUOGRPE-UHFFFAOYSA-N 0 0 180.634 3.703 10 0 AHAERN Cc1cccc2c1oc1ccsc12 ZINC000584638505 346738639 /nfs/dbraw/zinc/73/86/39/346738639.db2.gz GFTUHPLKNRBGIO-UHFFFAOYSA-N 0 0 188.251 3.956 10 0 AHAERN Cc1ccc2oc3ccsc3c2c1 ZINC000584640310 346739415 /nfs/dbraw/zinc/73/94/15/346739415.db2.gz MBMOZEARFOVFDM-UHFFFAOYSA-N 0 0 188.251 3.956 10 0 AHAERN Cc1cc2c(c(C)c1C)C(C)=CCC2 ZINC000584642723 346740062 /nfs/dbraw/zinc/74/00/62/346740062.db2.gz ROAIPSXJQVCFJC-UHFFFAOYSA-N 0 0 186.298 3.961 10 0 AHAERN c1ccc2c(c1)nccc2C1CCC1 ZINC000584643868 346739679 /nfs/dbraw/zinc/73/96/79/346739679.db2.gz RLXNQVKMIFAFEX-UHFFFAOYSA-N 0 0 183.254 3.502 10 0 AHAERN Fc1ccc(/C=C/c2ccoc2)cc1 ZINC000584646764 410125135 /nfs/dbraw/zinc/12/51/35/410125135.db2.gz ACFGHFGNKQUNLF-OWOJBTEDSA-N 0 0 188.201 3.589 10 0 AHAERN CC(C)c1cc(Cl)cc(C(C)C)n1 ZINC000584649239 346742050 /nfs/dbraw/zinc/74/20/50/346742050.db2.gz YSATYYDTSWMLGC-UHFFFAOYSA-N 0 0 197.709 3.982 10 0 AHAERN CC(C)(C)[C@H]1CC[C@H](F)CC1 ZINC000584649318 346741924 /nfs/dbraw/zinc/74/19/24/346741924.db2.gz NUUSHJVWWBOOGM-KYZUINATSA-N 0 0 158.260 3.561 10 0 AHAERN C[C@H]1c2ccsc2-c2ccccc21 ZINC000584652122 346742994 /nfs/dbraw/zinc/74/29/94/346742994.db2.gz BPJSOWNPIZKRMO-MRVPVSSYSA-N 0 0 186.279 3.880 10 0 AHAERN C[C@@H]1c2ccsc2-c2ccccc21 ZINC000584652123 346743069 /nfs/dbraw/zinc/74/30/69/346743069.db2.gz BPJSOWNPIZKRMO-QMMMGPOBSA-N 0 0 186.279 3.880 10 0 AHAERN C(=C/c1cccs1)\c1ccoc1 ZINC000584656806 346743389 /nfs/dbraw/zinc/74/33/89/346743389.db2.gz DJEVVWFOQXTROY-ONEGZZNKSA-N 0 0 176.240 3.512 10 0 AHAERN FC(F)=C(Cl)C(Cl)=C(F)F ZINC000584657091 346743939 /nfs/dbraw/zinc/74/39/39/346743939.db2.gz HJYXHKGEXYRSSQ-UHFFFAOYSA-N 0 0 194.942 3.680 10 0 AHAERN CSc1cc2cccccc-2c1 ZINC000584657208 346744075 /nfs/dbraw/zinc/74/40/75/346744075.db2.gz UUNNBVZGJAFVAG-UHFFFAOYSA-N 0 0 174.268 3.513 10 0 AHAERN O=C=C1CCCCCCCCCC1 ZINC000584657402 346743918 /nfs/dbraw/zinc/74/39/18/346743918.db2.gz UKBXKUKBIVJGTF-UHFFFAOYSA-N 0 0 180.291 3.659 10 0 AHAERN CCCCC1=CC=CC[C@@H]1C ZINC000584657486 346744528 /nfs/dbraw/zinc/74/45/28/346744528.db2.gz OIOQFPAPSFGVQY-JTQLQIEISA-N 0 0 150.265 3.699 10 0 AHAERN CCCCC1=CC=CC[C@H]1C ZINC000584657487 346744501 /nfs/dbraw/zinc/74/45/01/346744501.db2.gz OIOQFPAPSFGVQY-SNVBAGLBSA-N 0 0 150.265 3.699 10 0 AHAERN C[C@@H]1[C@@H]2SC(C(C)(C)C)=C[C@]12C ZINC000584658078 346745037 /nfs/dbraw/zinc/74/50/37/346745037.db2.gz NIPVUQXBFPCLTG-POZPLHJXSA-N 0 0 182.332 3.688 10 0 AHAERN C[C@@H]1[C@H]2SC(C(C)(C)C)=C[C@]21C ZINC000584658081 346745046 /nfs/dbraw/zinc/74/50/46/346745046.db2.gz NIPVUQXBFPCLTG-ZOFUNIGCSA-N 0 0 182.332 3.688 10 0 AHAERN C1=C([C@H]2[C@@H]3CCCC[C@@H]32)CCC1 ZINC000584658083 346745006 /nfs/dbraw/zinc/74/50/06/346745006.db2.gz NKMORLSNURNWJA-GDNZZTSVSA-N 0 0 162.276 3.533 10 0 AHAERN C/C=C/[C@@H](CCCC)OCCCC ZINC000584659193 346745911 /nfs/dbraw/zinc/74/59/11/346745911.db2.gz BESBZVAZBHKWDD-LZGFCCKTSA-N 0 0 184.323 3.938 10 0 AHAERN C/C=C/[C@H](CCCC)OCCCC ZINC000584659194 346745730 /nfs/dbraw/zinc/74/57/30/346745730.db2.gz BESBZVAZBHKWDD-UVMWJGKXSA-N 0 0 184.323 3.938 10 0 AHAERN C[C@@H]1CCc2cc3sccc3cc21 ZINC000584660910 346746406 /nfs/dbraw/zinc/74/64/06/346746406.db2.gz VBBPNECSCRHWTF-MRVPVSSYSA-N 0 0 188.295 3.951 10 0 AHAERN C[C@H]1CCc2cc3sccc3cc21 ZINC000584660912 346746695 /nfs/dbraw/zinc/74/66/95/346746695.db2.gz VBBPNECSCRHWTF-QMMMGPOBSA-N 0 0 188.295 3.951 10 0 AHAERN C[C@@H]1Cc2cc3ccsc3cc2C1 ZINC000584660991 346746436 /nfs/dbraw/zinc/74/64/36/346746436.db2.gz ZIRFXTSNRCFMKW-MRVPVSSYSA-N 0 0 188.295 3.636 10 0 AHAERN C[C@H]1Cc2cc3ccsc3cc2C1 ZINC000584660999 346746515 /nfs/dbraw/zinc/74/65/15/346746515.db2.gz ZIRFXTSNRCFMKW-QMMMGPOBSA-N 0 0 188.295 3.636 10 0 AHAERN FC[C@@H]1CCC[C@@H](C(F)(F)F)CC1 ZINC000606302881 346978192 /nfs/dbraw/zinc/97/81/92/346978192.db2.gz AUDAZJHNJDHMDB-HTQZYQBOSA-N 0 0 198.203 3.715 10 0 AHAERN FC[C@H]1CCC[C@@H](C(F)(F)F)CC1 ZINC000606302882 346978318 /nfs/dbraw/zinc/97/83/18/346978318.db2.gz AUDAZJHNJDHMDB-JGVFFNPUSA-N 0 0 198.203 3.715 10 0 AHAERN FC[C@@H]1CCC[C@H](C(F)(F)F)CC1 ZINC000606302883 346978224 /nfs/dbraw/zinc/97/82/24/346978224.db2.gz AUDAZJHNJDHMDB-SFYZADRCSA-N 0 0 198.203 3.715 10 0 AHAERN FC[C@H]1CCC[C@H](C(F)(F)F)CC1 ZINC000606302884 346978018 /nfs/dbraw/zinc/97/80/18/346978018.db2.gz AUDAZJHNJDHMDB-YUMQZZPRSA-N 0 0 198.203 3.715 10 0 AHAERN CC(C)(CCF)C1CCCCC1 ZINC000606303020 346978130 /nfs/dbraw/zinc/97/81/30/346978130.db2.gz CBJAKBYFORTUJK-UHFFFAOYSA-N 0 0 172.287 3.953 10 0 AHAERN CC1(C)C2(C)CCC1(CF)CC2 ZINC000606303270 346978928 /nfs/dbraw/zinc/97/89/28/346978928.db2.gz CQTYWOCXWOCAKV-UHFFFAOYSA-N 0 0 170.271 3.562 10 0 AHAERN c1cc(NCCCCC2CC2)cs1 ZINC000616578814 347104196 /nfs/dbraw/zinc/10/41/96/347104196.db2.gz QLBOGQPPVUEOBZ-UHFFFAOYSA-N 0 0 195.331 3.740 10 0 AHAERN c1ccc(NCCCCC2CC2)cc1 ZINC000616580385 347104009 /nfs/dbraw/zinc/10/40/09/347104009.db2.gz WMEHSIZTDKTQRA-UHFFFAOYSA-N 0 0 189.302 3.679 10 0 AHAERN CC(C)c1ccc2nc(F)sc2c1 ZINC000616591606 347105891 /nfs/dbraw/zinc/10/58/91/347105891.db2.gz OUAKSCSNTNZIMT-UHFFFAOYSA-N 0 0 195.262 3.559 10 0 AHAERN OSCc1cccc2ccccc21 ZINC000643846529 353008261 /nfs/dbraw/zinc/00/82/61/353008261.db2.gz QEUPILDJXWXZDM-UHFFFAOYSA-N 0 0 190.267 3.546 10 0 AHAERN CC(C)(C)c1ccc(CSO)cc1 ZINC000643846536 353008138 /nfs/dbraw/zinc/00/81/38/353008138.db2.gz YGHDMMILFYIICD-UHFFFAOYSA-N 0 0 196.315 3.690 10 0 AHAERN CCC(CC)c1ccc2c(c1)CCN2 ZINC000669381539 541350782 /nfs/dbraw/zinc/35/07/82/541350782.db2.gz NOOFDWYTDKGCAE-UHFFFAOYSA-N 0 0 189.302 3.558 10 0 AHAERN FC1(F)CCC(=CC2CC2)CC1 ZINC000675051546 538447842 /nfs/dbraw/zinc/44/78/42/538447842.db2.gz NNMRYFWFEYEPSK-UHFFFAOYSA-N 0 0 172.218 3.532 10 0 AHAERN O=Cc1cc(C=C2CCCC2)cs1 ZINC000675051589 538447527 /nfs/dbraw/zinc/44/75/27/538447527.db2.gz OVNGLDCQRYNXLM-UHFFFAOYSA-N 0 0 192.283 3.518 10 0 AHAERN CCCc1oc([C@H](C)CC)cc1C=O ZINC000675054188 538448488 /nfs/dbraw/zinc/44/84/88/538448488.db2.gz MIEBBWWQZHEENG-SECBINFHSA-N 0 0 194.274 3.558 10 0 AHAERN CCCc1oc([C@@H](C)CC)cc1C=O ZINC000675054194 538448974 /nfs/dbraw/zinc/44/89/74/538448974.db2.gz MIEBBWWQZHEENG-VIFPVBQESA-N 0 0 194.274 3.558 10 0 AHAERN CC(C)c1oc(C(C)(C)C)cc1C=O ZINC000675055413 538448962 /nfs/dbraw/zinc/44/89/62/538448962.db2.gz RXVBRQLQTJEJAN-UHFFFAOYSA-N 0 0 194.274 3.513 10 0 AHAERN CC[C@@H](C)c1cc(C=O)c(C(C)C)o1 ZINC000675055765 538448703 /nfs/dbraw/zinc/44/87/03/538448703.db2.gz XRPVWEXVBMZQCU-SECBINFHSA-N 0 0 194.274 3.729 10 0 AHAERN CC[C@H](C)c1cc(C=O)c(C(C)C)o1 ZINC000675055766 538448763 /nfs/dbraw/zinc/44/87/63/538448763.db2.gz XRPVWEXVBMZQCU-VIFPVBQESA-N 0 0 194.274 3.729 10 0 AHAERN CC[C@H](C)CSc1ccsc1 ZINC000675058329 538449219 /nfs/dbraw/zinc/44/92/19/538449219.db2.gz AHJBMZZJXNJWHC-QMMMGPOBSA-N 0 0 186.345 3.886 10 0 AHAERN O=C1CC=C(C2=CCCCCC2)CC1 ZINC000687687749 571953884 /nfs/dbraw/zinc/95/38/84/571953884.db2.gz YBPORNJAOSCUFM-UHFFFAOYSA-N 0 0 190.286 3.556 10 0 AHAERN O=C1CCC(C2=CCCCCC2)CC1 ZINC000687687779 571954300 /nfs/dbraw/zinc/95/43/00/571954300.db2.gz ZYSAVHQGQBVDQE-UHFFFAOYSA-N 0 0 192.302 3.636 10 0 AHAERN CC(C)C[C@@H](C)CC1=CCC(=O)CC1 ZINC000687688424 571958125 /nfs/dbraw/zinc/95/81/25/571958125.db2.gz LRQQTZSCACXKDT-LLVKDONJSA-N 0 0 194.318 3.738 10 0 AHAERN CC(C)C[C@H](C)CC1=CCC(=O)CC1 ZINC000687688425 571956294 /nfs/dbraw/zinc/95/62/94/571956294.db2.gz LRQQTZSCACXKDT-NSHDSACASA-N 0 0 194.318 3.738 10 0 AHAERN CC(C)(C)CCCC1CCC(=O)CC1 ZINC000687688443 571957010 /nfs/dbraw/zinc/95/70/10/571957010.db2.gz NHTVXFIHBJHULP-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)(C)CCCC1=CCC(=O)CC1 ZINC000687688524 571960396 /nfs/dbraw/zinc/96/03/96/571960396.db2.gz UJGXXSAIGLKSHQ-UHFFFAOYSA-N 0 0 194.318 3.882 10 0 AHAERN O=C1CC=C(CCC2CCCC2)CC1 ZINC000687688659 571960905 /nfs/dbraw/zinc/96/09/05/571960905.db2.gz JKFZOQLDICYKGW-UHFFFAOYSA-N 0 0 192.302 3.636 10 0 AHAERN CC1(CC2CCC(=O)CC2)CCCC1 ZINC000687688687 571958511 /nfs/dbraw/zinc/95/85/11/571958511.db2.gz MXKCBKIVEFWQKJ-UHFFFAOYSA-N 0 0 194.318 3.716 10 0 AHAERN CC1(CC2=CCC(=O)CC2)CCCC1 ZINC000687688749 571961476 /nfs/dbraw/zinc/96/14/76/571961476.db2.gz UZWHIUCWUSLZHP-UHFFFAOYSA-N 0 0 192.302 3.636 10 0 AHAERN CC[C@@H]1C[C@H](CC)c2cccc(N)c21 ZINC000687749954 571942253 /nfs/dbraw/zinc/94/22/53/571942253.db2.gz VDIYLHBCIXSRKZ-VHSXEESVSA-N 0 0 189.302 3.660 10 0 AHAERN CCCNc1cc(CC)ccc1CC ZINC000689585798 572916514 /nfs/dbraw/zinc/91/65/14/572916514.db2.gz MMFHDPMYNUTTMS-UHFFFAOYSA-N 0 0 191.318 3.633 10 0 AHAERN C[C@@](O)(CCC1CC1)CC1CCCC1 ZINC000689821159 573740340 /nfs/dbraw/zinc/74/03/40/573740340.db2.gz DYDBAAOROGAKAY-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN C[C@](O)(CCC1CC1)CC1CCCC1 ZINC000689821164 573741009 /nfs/dbraw/zinc/74/10/09/573741009.db2.gz DYDBAAOROGAKAY-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CC[C@H](C)C[C@](C)(O)CC1CCCC1 ZINC000689822876 573801488 /nfs/dbraw/zinc/80/14/88/573801488.db2.gz LSDNKMDACVBIQG-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)C[C@@](C)(O)CC1CCCC1 ZINC000689822879 573801617 /nfs/dbraw/zinc/80/16/17/573801617.db2.gz LSDNKMDACVBIQG-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@H](C)C[C@@](C)(O)CC1CCCC1 ZINC000689822881 573802039 /nfs/dbraw/zinc/80/20/39/573802039.db2.gz LSDNKMDACVBIQG-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CC[C@@H](C)C[C@](C)(O)CC1CCCC1 ZINC000689822882 573799534 /nfs/dbraw/zinc/79/95/34/573799534.db2.gz LSDNKMDACVBIQG-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCCC(=O)[C@@H](C)CC1CCCC1 ZINC000689857265 573826838 /nfs/dbraw/zinc/82/68/38/573826838.db2.gz VIFOYFJSRNTEKU-JTQLQIEISA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)[C@H](C)CC1CCCC1 ZINC000689857267 573825537 /nfs/dbraw/zinc/82/55/37/573825537.db2.gz VIFOYFJSRNTEKU-SNVBAGLBSA-N 0 0 182.307 3.572 10 0 AHAERN CCCC(=O)[C@H](C)CC1CCCCC1 ZINC000689858037 573821574 /nfs/dbraw/zinc/82/15/74/573821574.db2.gz XFCNHSPMSHVUDO-LLVKDONJSA-N 0 0 196.334 3.962 10 0 AHAERN CCCC(=O)[C@@H](C)CC1CCCCC1 ZINC000689858050 573819229 /nfs/dbraw/zinc/81/92/29/573819229.db2.gz XFCNHSPMSHVUDO-NSHDSACASA-N 0 0 196.334 3.962 10 0 AHAERN CC(C)CNc1cccc(C2CC2)c1 ZINC000690137665 573162438 /nfs/dbraw/zinc/16/24/38/573162438.db2.gz MMNIHHOAVWPZEF-UHFFFAOYSA-N 0 0 189.302 3.632 10 0 AHAERN C[C@H](C[C@]1(O)CCC1(C)C)C(C)(C)C ZINC000710784292 571681896 /nfs/dbraw/zinc/68/18/96/571681896.db2.gz CKTDMKQHKINNIG-ZWNOBZJWSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@](O)(C[C@@H](C)C(C)(C)C)C1CC1 ZINC000710798290 571716464 /nfs/dbraw/zinc/71/64/64/571716464.db2.gz CQZBKLMKQOEBTN-ZWNOBZJWSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C[C@@]1(O)C[C@@H]1CC)C(C)(C)C ZINC000711077876 571886245 /nfs/dbraw/zinc/88/62/45/571886245.db2.gz MPLIZZVPRZPLLM-NTZNESFSSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@H](C[C@]1(O)C[C@H]1CC)C(C)(C)C ZINC000711077887 571886217 /nfs/dbraw/zinc/88/62/17/571886217.db2.gz MPLIZZVPRZPLLM-WZRBSPASSA-N 0 0 198.350 3.610 10 0 AHAERN C[C@@H](C[C@@H]1CCCCC1=O)C(C)(C)C ZINC000711190789 571914148 /nfs/dbraw/zinc/91/41/48/571914148.db2.gz IRNCNXFFQJYQPI-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN C[C@@H](C[C@H]1CCCCC1=O)C(C)(C)C ZINC000711190791 571913890 /nfs/dbraw/zinc/91/38/90/571913890.db2.gz IRNCNXFFQJYQPI-WDEREUQCSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@@H]1C[C@@H]1C(=O)CCC(C)(C)CC ZINC000711321748 571944838 /nfs/dbraw/zinc/94/48/38/571944838.db2.gz PRNQSCYPUXFFIL-MNOVXSKESA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1C[C@@H]1C(=O)CCC(C)(C)CC ZINC000711321750 571943797 /nfs/dbraw/zinc/94/37/97/571943797.db2.gz PRNQSCYPUXFFIL-QWRGUYRKSA-N 0 0 196.334 3.818 10 0 AHAERN CC[C@H]1C[C@H]1C(=O)CCC(C)(C)CC ZINC000711321753 571945557 /nfs/dbraw/zinc/94/55/57/571945557.db2.gz PRNQSCYPUXFFIL-WDEREUQCSA-N 0 0 196.334 3.818 10 0 AHAERN CCCCC[C@]1(O)C[C@@H]2CCCC[C@@H]21 ZINC000712382610 571746967 /nfs/dbraw/zinc/74/69/67/571746967.db2.gz FTMLOOKIOJJKLH-AVGNSLFASA-N 0 0 196.334 3.508 10 0 AHAERN CCC(C)(C)C[C@@H](O)C1(C)CCCC1 ZINC000713183852 572002220 /nfs/dbraw/zinc/00/22/20/572002220.db2.gz QCCWMYCADYALTQ-LLVKDONJSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(C)(C)C[C@H](O)C1(C)CCCC1 ZINC000713183854 572002037 /nfs/dbraw/zinc/00/20/37/572002037.db2.gz QCCWMYCADYALTQ-NSHDSACASA-N 0 0 198.350 3.754 10 0 AHAERN CCC(C)(C)C[C@](O)(CC)[C@@H]1C[C@@H]1C ZINC000713198700 572020539 /nfs/dbraw/zinc/02/05/39/572020539.db2.gz JLZOYIGZYCKGHZ-DMDPSCGWSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)C[C@](O)(CC)[C@H]1C[C@@H]1C ZINC000713198701 572020503 /nfs/dbraw/zinc/02/05/03/572020503.db2.gz JLZOYIGZYCKGHZ-GMXVVIOVSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)C[C@](O)(CC)[C@@H]1C[C@H]1C ZINC000713198702 572021391 /nfs/dbraw/zinc/02/13/91/572021391.db2.gz JLZOYIGZYCKGHZ-NQBHXWOUSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)C[C@](O)(CC)[C@H]1C[C@H]1C ZINC000713198703 572021531 /nfs/dbraw/zinc/02/15/31/572021531.db2.gz JLZOYIGZYCKGHZ-NTZNESFSSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)C[C@@H]1CCCC[C@]1(C)O ZINC000713199819 572030601 /nfs/dbraw/zinc/03/06/01/572030601.db2.gz MPGNQOLAVRYFIL-AAEUAGOBSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(C)(C)C[C@H]1CCCC[C@@]1(C)O ZINC000713199821 572030951 /nfs/dbraw/zinc/03/09/51/572030951.db2.gz MPGNQOLAVRYFIL-DGCLKSJQSA-N 0 0 198.350 3.754 10 0 AHAERN CCC(C)(C)C[C@@H]1CCCC[C@@]1(C)O ZINC000713199826 572029741 /nfs/dbraw/zinc/02/97/41/572029741.db2.gz MPGNQOLAVRYFIL-WCQYABFASA-N 0 0 198.350 3.754 10 0 AHAERN CCC(C)(C)C[C@H]1CCCC[C@]1(C)O ZINC000713199829 572029392 /nfs/dbraw/zinc/02/93/92/572029392.db2.gz MPGNQOLAVRYFIL-YPMHNXCESA-N 0 0 198.350 3.754 10 0 AHAERN CCC(C)(C)CC1=C[C@H](O)CCCC1 ZINC000713209589 572077669 /nfs/dbraw/zinc/07/76/69/572077669.db2.gz IGJKGNCORMXTGY-GFCCVEGCSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(C)(C)CC1=C[C@@H](O)CCCC1 ZINC000713209590 572077954 /nfs/dbraw/zinc/07/79/54/572077954.db2.gz IGJKGNCORMXTGY-LBPRGKRZSA-N 0 0 196.334 3.674 10 0 AHAERN CCC(C)(C)C[C@H](O)[C@H]1CC[C@H](C)C1 ZINC000713212426 572093538 /nfs/dbraw/zinc/09/35/38/572093538.db2.gz VSSNEMCJSJAZIP-SRVKXCTJSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)C[C@H](O)[C@@H]1CC[C@H](C)C1 ZINC000713212427 572093088 /nfs/dbraw/zinc/09/30/88/572093088.db2.gz VSSNEMCJSJAZIP-TUAOUCFPSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)C[C@H](O)[C@@H]1CC[C@@H](C)C1 ZINC000713212429 572094037 /nfs/dbraw/zinc/09/40/37/572094037.db2.gz VSSNEMCJSJAZIP-UTUOFQBUSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)C[C@H](O)[C@H]1CC[C@@H](C)C1 ZINC000713212430 572094270 /nfs/dbraw/zinc/09/42/70/572094270.db2.gz VSSNEMCJSJAZIP-WOPDTQHZSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C1([C@H](O)CC(C)(C)C)CCC1 ZINC000713215463 572095287 /nfs/dbraw/zinc/09/52/87/572095287.db2.gz ACUCUSFIDSCDOL-LLVKDONJSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C1([C@@H](O)CC(C)(C)C)CCC1 ZINC000713215470 572096548 /nfs/dbraw/zinc/09/65/48/572096548.db2.gz ACUCUSFIDSCDOL-NSHDSACASA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)CC1=C[C@H](O)C[C@@H](C)C1 ZINC000713217226 572104086 /nfs/dbraw/zinc/10/40/86/572104086.db2.gz KOVQEVUVNYCOMV-CMPLNLGQSA-N 0 0 196.334 3.530 10 0 AHAERN CCC(C)(C)CC1=C[C@@H](O)C[C@@H](C)C1 ZINC000713217457 572104186 /nfs/dbraw/zinc/10/41/86/572104186.db2.gz KOVQEVUVNYCOMV-JQWIXIFHSA-N 0 0 196.334 3.530 10 0 AHAERN CCC(C)(C)CC1=C[C@@H](O)C[C@H](C)C1 ZINC000713217458 572104150 /nfs/dbraw/zinc/10/41/50/572104150.db2.gz KOVQEVUVNYCOMV-PWSUYJOCSA-N 0 0 196.334 3.530 10 0 AHAERN CCC(C)(C)CC1=C[C@H](O)C[C@H](C)C1 ZINC000713217459 572105437 /nfs/dbraw/zinc/10/54/37/572105437.db2.gz KOVQEVUVNYCOMV-ZYHUDNBSSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)(C)C[C@@H](CO)C1CCCCC1 ZINC000713228443 572204572 /nfs/dbraw/zinc/20/45/72/572204572.db2.gz HNMAIUOYEGGAQN-LBPRGKRZSA-N 0 0 198.350 3.611 10 0 AHAERN CCCC[C@@H](O)CC(C)(C)C(C)C ZINC000713228779 572204135 /nfs/dbraw/zinc/20/41/35/572204135.db2.gz KEGHSNZFPJEMFX-LLVKDONJSA-N 0 0 186.339 3.610 10 0 AHAERN CCCC[C@H](O)CC(C)(C)C(C)C ZINC000713228780 572203720 /nfs/dbraw/zinc/20/37/20/572203720.db2.gz KEGHSNZFPJEMFX-NSHDSACASA-N 0 0 186.339 3.610 10 0 AHAERN CC(C)C(C)(C)C[C@H](O)CCC1CC1 ZINC000713229578 572213196 /nfs/dbraw/zinc/21/31/96/572213196.db2.gz OSUNHOLLNQQIET-GFCCVEGCSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C(C)(C)C[C@@H](O)CCC1CC1 ZINC000713229582 572212413 /nfs/dbraw/zinc/21/24/13/572212413.db2.gz OSUNHOLLNQQIET-LBPRGKRZSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@](O)(CC(C)(C)C)[C@H]1CC1(C)C ZINC000713230656 572213675 /nfs/dbraw/zinc/21/36/75/572213675.db2.gz TUOXRIFDNUBNEE-GWCFXTLKSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@](O)(CC(C)(C)C)[C@H]1CC1(C)C ZINC000713230661 572212976 /nfs/dbraw/zinc/21/29/76/572212976.db2.gz TUOXRIFDNUBNEE-GXFFZTMASA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@](O)(CC(C)(C)C)[C@@H]1CC1(C)C ZINC000713230663 572213203 /nfs/dbraw/zinc/21/32/03/572213203.db2.gz TUOXRIFDNUBNEE-MFKMUULPSA-N 0 0 198.350 3.610 10 0 AHAERN CC[C@@](O)(CC(C)(C)C)[C@@H]1CC1(C)C ZINC000713230667 572213626 /nfs/dbraw/zinc/21/36/26/572213626.db2.gz TUOXRIFDNUBNEE-ZWNOBZJWSA-N 0 0 198.350 3.610 10 0 AHAERN CCC[C@@](C)(O)CC(C)(C)C(C)C ZINC000713230819 572212508 /nfs/dbraw/zinc/21/25/08/572212508.db2.gz VPXZDHLFNAZNLF-GFCCVEGCSA-N 0 0 186.339 3.610 10 0 AHAERN CCC[C@](C)(O)CC(C)(C)C(C)C ZINC000713230821 572213664 /nfs/dbraw/zinc/21/36/64/572213664.db2.gz VPXZDHLFNAZNLF-LBPRGKRZSA-N 0 0 186.339 3.610 10 0 AHAERN CCC(O)(CC)CC(C)(C)C(C)C ZINC000713230834 572211684 /nfs/dbraw/zinc/21/16/84/572211684.db2.gz VUFYVWAKFRWJCP-UHFFFAOYSA-N 0 0 186.339 3.610 10 0 AHAERN CCC(C)(C)C[C@@](O)(C(C)C)C1CC1 ZINC000713231214 572212875 /nfs/dbraw/zinc/21/28/75/572212875.db2.gz VYKSYOXGZRSLRM-CYBMUJFWSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)C[C@](O)(C(C)C)C1CC1 ZINC000713231218 572213260 /nfs/dbraw/zinc/21/32/60/572213260.db2.gz VYKSYOXGZRSLRM-ZDUSSCGKSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)C[C@]1(O)CCCC12CC2 ZINC000713231485 572217638 /nfs/dbraw/zinc/21/76/38/572217638.db2.gz ZBKONWDVBFPEBI-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CCC(C)(C)C[C@@]1(O)CCCC12CC2 ZINC000713231487 572218264 /nfs/dbraw/zinc/21/82/64/572218264.db2.gz ZBKONWDVBFPEBI-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CCc1ccc(OCC(C)(C)C)cc1 ZINC000713237401 572329649 /nfs/dbraw/zinc/32/96/49/572329649.db2.gz VTLCQMXADAGWFR-UHFFFAOYSA-N 0 0 192.302 3.674 10 0 AHAERN Cc1ccc(OCC(C)(C)C)cc1F ZINC000713237470 572329574 /nfs/dbraw/zinc/32/95/74/572329574.db2.gz YYGZLKUTDHASJL-UHFFFAOYSA-N 0 0 196.265 3.559 10 0 AHAERN CCC(C)(C)COc1ccccc1F ZINC000713238439 572329791 /nfs/dbraw/zinc/32/97/91/572329791.db2.gz ACFYLMAFEIGBAV-UHFFFAOYSA-N 0 0 196.265 3.641 10 0 AHAERN CC(C)C(C)(C)C[C@]1(O)CCC1(C)C ZINC000713241825 572340035 /nfs/dbraw/zinc/34/00/35/572340035.db2.gz KADWGGFTFLYZQA-CYBMUJFWSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C(C)(C)C[C@@]1(O)CCC1(C)C ZINC000713241827 572340153 /nfs/dbraw/zinc/34/01/53/572340153.db2.gz KADWGGFTFLYZQA-ZDUSSCGKSA-N 0 0 198.350 3.610 10 0 AHAERN Cc1cccc(OCC(C)(C)C)c1F ZINC000713242218 572361902 /nfs/dbraw/zinc/36/19/02/572361902.db2.gz XFKQKTCOYJVOSZ-UHFFFAOYSA-N 0 0 196.265 3.559 10 0 AHAERN CCC(C)(C)C[C@@H](O)[C@]1(C)CC1(C)C ZINC000713242994 572367815 /nfs/dbraw/zinc/36/78/15/572367815.db2.gz QMTIGPCXXFTOJO-MFKMUULPSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(C)(C)C[C@@H](O)[C@@]1(C)CC1(C)C ZINC000713242996 572367233 /nfs/dbraw/zinc/36/72/33/572367233.db2.gz QMTIGPCXXFTOJO-ZWNOBZJWSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C(C)(C)C[C@@]1(O)C=CCCC1 ZINC000713242998 572365411 /nfs/dbraw/zinc/36/54/11/572365411.db2.gz QPWWRNXFQBCARI-CYBMUJFWSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)C(C)(C)C[C@]1(O)C=CCCC1 ZINC000713242999 572367733 /nfs/dbraw/zinc/36/77/33/572367733.db2.gz QPWWRNXFQBCARI-ZDUSSCGKSA-N 0 0 196.334 3.530 10 0 AHAERN CC(C)(C)C[C@]1(O)CCC12CCCC2 ZINC000713243500 572378144 /nfs/dbraw/zinc/37/81/44/572378144.db2.gz SEBAGEFBNJZKCA-CYBMUJFWSA-N 0 0 196.334 3.508 10 0 AHAERN CC(C)(C)C[C@@]1(O)CCC12CCCC2 ZINC000713243515 572377609 /nfs/dbraw/zinc/37/76/09/572377609.db2.gz SEBAGEFBNJZKCA-ZDUSSCGKSA-N 0 0 196.334 3.508 10 0 AHAERN CCC(C)(C)C[C@H](CO)C1CCCC1 ZINC000713244293 572381634 /nfs/dbraw/zinc/38/16/34/572381634.db2.gz VZUWGFYVQCLKIG-GFCCVEGCSA-N 0 0 198.350 3.611 10 0 AHAERN CCC(C)(C)C[C@@H](CO)C1CCCC1 ZINC000713244303 572380489 /nfs/dbraw/zinc/38/04/89/572380489.db2.gz VZUWGFYVQCLKIG-LBPRGKRZSA-N 0 0 198.350 3.611 10 0 AHAERN CC(C)C(C)(C)C[C@@H](O)C1(C)CCC1 ZINC000713245792 572386522 /nfs/dbraw/zinc/38/65/22/572386522.db2.gz ZSLVPMGKXNXFEW-LLVKDONJSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C(C)(C)C[C@H](O)C1(C)CCC1 ZINC000713245794 572384647 /nfs/dbraw/zinc/38/46/47/572384647.db2.gz ZSLVPMGKXNXFEW-NSHDSACASA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C(C)(C)CC1(O)CC(C)(C)C1 ZINC000713246782 572394588 /nfs/dbraw/zinc/39/45/88/572394588.db2.gz NLOKHQRQKOBUJJ-UHFFFAOYSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)C(C)(C)CC1(CO)CCCC1 ZINC000713248154 572418307 /nfs/dbraw/zinc/41/83/07/572418307.db2.gz DYTAHOBZXHOYMG-UHFFFAOYSA-N 0 0 198.350 3.611 10 0 AHAERN CCC(C)(C)C[C@@H](O)CC(C)(C)C ZINC000713249116 572441304 /nfs/dbraw/zinc/44/13/04/572441304.db2.gz WXOBQKSASRNIHA-JTQLQIEISA-N 0 0 186.339 3.610 10 0 AHAERN CCC(C)(C)C[C@H](O)CC(C)(C)C ZINC000713249117 572440572 /nfs/dbraw/zinc/44/05/72/572440572.db2.gz WXOBQKSASRNIHA-SNVBAGLBSA-N 0 0 186.339 3.610 10 0 AHAERN CCC(C)(C)CC1(O)CCCCCC1 ZINC000713257783 572480578 /nfs/dbraw/zinc/48/05/78/572480578.db2.gz JUXCAGBVWYGHEE-UHFFFAOYSA-N 0 0 198.350 3.898 10 0 AHAERN CCCCC(=O)CC(C)(C)C(C)C ZINC000713302262 572573781 /nfs/dbraw/zinc/57/37/81/572573781.db2.gz HIFMQVKIXMHDHC-UHFFFAOYSA-N 0 0 184.323 3.818 10 0 AHAERN CCC(C)(C)C[C@@H](C(C)=O)C(C)C ZINC000713303109 572575913 /nfs/dbraw/zinc/57/59/13/572575913.db2.gz WXGQZXBXVPIZHK-LLVKDONJSA-N 0 0 184.323 3.674 10 0 AHAERN CCC(C)(C)C[C@H](C(C)=O)C(C)C ZINC000713303110 572575950 /nfs/dbraw/zinc/57/59/50/572575950.db2.gz WXGQZXBXVPIZHK-NSHDSACASA-N 0 0 184.323 3.674 10 0 AHAERN CC(C)C(C)(C)CC(=O)CC1(C)CC1 ZINC000713304495 572576927 /nfs/dbraw/zinc/57/69/27/572576927.db2.gz MXAVWWFXRPMWKZ-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)(C)CC(=O)C12CCC(CC1)C2 ZINC000713305949 572575576 /nfs/dbraw/zinc/57/55/76/572575576.db2.gz NXNIGSCTXWCISF-UHFFFAOYSA-N 0 0 194.318 3.572 10 0 AHAERN CCCC1(C(=O)CC(C)(C)CC)CC1 ZINC000713318741 572582334 /nfs/dbraw/zinc/58/23/34/572582334.db2.gz QLVZMQAJBXTDLE-UHFFFAOYSA-N 0 0 196.334 3.962 10 0 AHAERN CCC(C)(C)CC(=O)[C@]12C[C@H]1CCC2 ZINC000713350907 572581001 /nfs/dbraw/zinc/58/10/01/572581001.db2.gz OULJOPHEIOQWHH-ZWNOBZJWSA-N 0 0 194.318 3.572 10 0 AHAERN CCC(C)(C)CC(=O)[C@@H](C)C1CCC1 ZINC000713351286 572579836 /nfs/dbraw/zinc/57/98/36/572579836.db2.gz FETQYNVJMLQFFN-JTQLQIEISA-N 0 0 196.334 3.818 10 0 AHAERN CCC(C)(C)CC(=O)[C@H](C)C1CCC1 ZINC000713351287 572581053 /nfs/dbraw/zinc/58/10/53/572581053.db2.gz FETQYNVJMLQFFN-SNVBAGLBSA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)C(C)(C)CC(=O)CCC1CC1 ZINC000713351295 572578041 /nfs/dbraw/zinc/57/80/41/572578041.db2.gz GDNVWZNHKISXRZ-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CCC(C)(C)CC(=O)C1CC(C)(C)C1 ZINC000713352161 572580874 /nfs/dbraw/zinc/58/08/74/572580874.db2.gz YZZWWRSYHGHXEN-UHFFFAOYSA-N 0 0 196.334 3.818 10 0 AHAERN CC(=O)C[C@H](C)CC(C)(C)C(C)C ZINC000713368595 572584466 /nfs/dbraw/zinc/58/44/66/572584466.db2.gz IFOUZKPRQJZFMO-JTQLQIEISA-N 0 0 184.323 3.674 10 0 AHAERN CC(=O)C[C@@H](C)CC(C)(C)C(C)C ZINC000713368600 572585821 /nfs/dbraw/zinc/58/58/21/572585821.db2.gz IFOUZKPRQJZFMO-SNVBAGLBSA-N 0 0 184.323 3.674 10 0 AHAERN CCC(C)(C)C[C@]1(C)CCC(=O)C1 ZINC000713368910 572585202 /nfs/dbraw/zinc/58/52/02/572585202.db2.gz NOMRVEAXSPZNTA-GFCCVEGCSA-N 0 0 182.307 3.572 10 0 AHAERN CCC(C)(C)C[C@@]1(C)CCC(=O)C1 ZINC000713368911 572585518 /nfs/dbraw/zinc/58/55/18/572585518.db2.gz NOMRVEAXSPZNTA-LBPRGKRZSA-N 0 0 182.307 3.572 10 0 AHAERN CC(C)(C)CC(=O)[C@@H]1CCCC1(C)C ZINC000713371309 572585010 /nfs/dbraw/zinc/58/50/10/572585010.db2.gz LWAFGKZDJUYBSL-JTQLQIEISA-N 0 0 196.334 3.818 10 0 AHAERN CC(C)(C)CC(=O)[C@H]1CCCC1(C)C ZINC000713371311 572584619 /nfs/dbraw/zinc/58/46/19/572584619.db2.gz LWAFGKZDJUYBSL-SNVBAGLBSA-N 0 0 196.334 3.818 10 0 AHAERN C=C/C=C\CCC(=O)[C@@H](C)CCCC ZINC000713634603 572919036 /nfs/dbraw/zinc/91/90/36/572919036.db2.gz OZHNFJBDTHTCDB-VFFGBVLKSA-N 0 0 194.318 3.904 10 0 AHAERN C=C/C=C/CCC(=O)[C@H](C)CCCC ZINC000713634604 572919472 /nfs/dbraw/zinc/91/94/72/572919472.db2.gz OZHNFJBDTHTCDB-WAFBPQNNSA-N 0 0 194.318 3.904 10 0 AHAERN C=C/C=C/CCC(=O)[C@@H](C)CCCC ZINC000713634605 572917799 /nfs/dbraw/zinc/91/77/99/572917799.db2.gz OZHNFJBDTHTCDB-WMADIVHISA-N 0 0 194.318 3.904 10 0 AHAERN C=C/C=C\CCC(=O)[C@H](C)CCCC ZINC000713634606 572918553 /nfs/dbraw/zinc/91/85/53/572918553.db2.gz OZHNFJBDTHTCDB-XYLWRLHESA-N 0 0 194.318 3.904 10 0 AHAERN C=C/C=C\CCC(=O)[C@@H]1CC[C@H](C)C1 ZINC000713684919 572336312 /nfs/dbraw/zinc/33/63/12/572336312.db2.gz OTEUYBFALFWBHW-KBIXYVOKSA-N 0 0 192.302 3.514 10 0 AHAERN C=C/C=C/CCC(=O)[C@@H]1CC[C@H](C)C1 ZINC000713684922 572339285 /nfs/dbraw/zinc/33/92/85/572339285.db2.gz OTEUYBFALFWBHW-RUULKOMLSA-N 0 0 192.302 3.514 10 0 AHAERN C=C/C=C\CCC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000713684926 572336210 /nfs/dbraw/zinc/33/62/10/572336210.db2.gz OTEUYBFALFWBHW-XLMCQVRKSA-N 0 0 192.302 3.514 10 0 AHAERN C=C/C=C\CC[C@@H](O)CC(C)(C)CC ZINC000713685191 572340295 /nfs/dbraw/zinc/34/02/95/572340295.db2.gz PAJJIOOKLMYXMN-QDZRJHCZSA-N 0 0 196.334 3.696 10 0 AHAERN C=C/C=C\CCC(=O)[C@@H](C)CC(C)C ZINC000713688523 572338403 /nfs/dbraw/zinc/33/84/03/572338403.db2.gz WNOZETXCDQTVCP-DGMVEKRQSA-N 0 0 194.318 3.760 10 0 AHAERN C=C/C=C/CCC(=O)[C@H](C)CC(C)C ZINC000713688525 572337712 /nfs/dbraw/zinc/33/77/12/572337712.db2.gz WNOZETXCDQTVCP-NNNHXZLVSA-N 0 0 194.318 3.760 10 0 AHAERN C=C/C=C/CCC(=O)[C@@H](C)CC(C)C ZINC000713688526 572336243 /nfs/dbraw/zinc/33/62/43/572336243.db2.gz WNOZETXCDQTVCP-SYTKJHMZSA-N 0 0 194.318 3.760 10 0 AHAERN C=C/C=C\CCC(=O)[C@H](C)CC(C)C ZINC000713688528 572338320 /nfs/dbraw/zinc/33/83/20/572338320.db2.gz WNOZETXCDQTVCP-ZHRWSRJISA-N 0 0 194.318 3.760 10 0 AHAERN C=C/C=C/CC[C@@H](O)CCCC(C)C ZINC000713694318 572356484 /nfs/dbraw/zinc/35/64/84/572356484.db2.gz LNFCETMYYFMGGT-URWSZGRFSA-N 0 0 196.334 3.696 10 0 AHAERN C=C/C=C/CCC(O)(C(C)C)C(C)C ZINC000713696725 572374677 /nfs/dbraw/zinc/37/46/77/572374677.db2.gz TXTHRCQSVMZWJI-BQYQJAHWSA-N 0 0 196.334 3.552 10 0 AHAERN C=C/C=C\CCC(O)(C(C)C)C(C)C ZINC000713696741 572372929 /nfs/dbraw/zinc/37/29/29/572372929.db2.gz TXTHRCQSVMZWJI-FPLPWBNLSA-N 0 0 196.334 3.552 10 0 AHAERN C=C/C=C\CCC(=O)CC(C)(C)CC ZINC000713697468 572377028 /nfs/dbraw/zinc/37/70/28/572377028.db2.gz XFJWGEYALSTGDS-FPLPWBNLSA-N 0 0 194.318 3.904 10 0 AHAERN C=C/C=C/CCC(=O)C1(C(C)C)CC1 ZINC000713697750 572371546 /nfs/dbraw/zinc/37/15/46/572371546.db2.gz YPOAXDWZCPNRFF-AATRIKPKSA-N 0 0 192.302 3.514 10 0 AHAERN C=C/C=C\CCC(=O)C1(C(C)C)CC1 ZINC000713697752 572371602 /nfs/dbraw/zinc/37/16/02/572371602.db2.gz YPOAXDWZCPNRFF-WAYWQWQTSA-N 0 0 192.302 3.514 10 0 AHAERN C=C/C=C/CCC(=O)C1CC(C)(C)C1 ZINC000713720229 572532891 /nfs/dbraw/zinc/53/28/91/572532891.db2.gz QKDYBUQENVHQOR-AATRIKPKSA-N 0 0 192.302 3.514 10 0 AHAERN C=C/C=C\CCC(=O)C1CC(C)(C)C1 ZINC000713720230 572532176 /nfs/dbraw/zinc/53/21/76/572532176.db2.gz QKDYBUQENVHQOR-WAYWQWQTSA-N 0 0 192.302 3.514 10 0 AHAERN C=C/C=C\CCCc1ccccc1 ZINC000713721416 572524020 /nfs/dbraw/zinc/52/40/20/572524020.db2.gz VGMCETSJPLCMTK-ARJAWSKDSA-N 0 0 172.271 3.752 10 0 AHAERN C=C/C=C/CCCc1ccccc1 ZINC000713721422 572521880 /nfs/dbraw/zinc/52/18/80/572521880.db2.gz VGMCETSJPLCMTK-ONEGZZNKSA-N 0 0 172.271 3.752 10 0 AHAERN C=C/C=C\CCNc1cccc(C)c1 ZINC000713721675 572525653 /nfs/dbraw/zinc/52/56/53/572525653.db2.gz RTXFJAZZZCRARW-PLNGDYQASA-N 0 0 187.286 3.539 10 0 AHAERN C=C/C=C/CCNc1cccc(C)c1 ZINC000713721680 572527575 /nfs/dbraw/zinc/52/75/75/572527575.db2.gz RTXFJAZZZCRARW-SNAWJCMRSA-N 0 0 187.286 3.539 10 0 AHAERN C=C/C=C/CCc1ccc(F)cc1C ZINC000713724279 572549308 /nfs/dbraw/zinc/54/93/08/572549308.db2.gz MCDQBOFQWYJDHK-SNAWJCMRSA-N 0 0 190.261 3.809 10 0 AHAERN C=C/C=C\CCc1cc(F)ccc1F ZINC000713740275 572731242 /nfs/dbraw/zinc/73/12/42/572731242.db2.gz SUHLTPPFOZCXKC-ARJAWSKDSA-N 0 0 194.224 3.640 10 0 AHAERN C=C/C=C/CCc1cc(F)ccc1F ZINC000713740276 572732626 /nfs/dbraw/zinc/73/26/26/572732626.db2.gz SUHLTPPFOZCXKC-ONEGZZNKSA-N 0 0 194.224 3.640 10 0 AHAERN C=C/C=C\CCc1cccc2[nH]ccc21 ZINC000713750763 572783580 /nfs/dbraw/zinc/78/35/80/572783580.db2.gz YREXJZQMIPNNOW-ARJAWSKDSA-N 0 0 197.281 3.843 10 0 AHAERN C=C/C=C/CCc1cccc2[nH]ccc21 ZINC000713750766 572783010 /nfs/dbraw/zinc/78/30/10/572783010.db2.gz YREXJZQMIPNNOW-ONEGZZNKSA-N 0 0 197.281 3.843 10 0 AHAERN C=C/C=C/CCCCC(=O)C(C)C ZINC000713752532 572786767 /nfs/dbraw/zinc/78/67/67/572786767.db2.gz NEJZPRROYZPXID-AATRIKPKSA-N 0 0 180.291 3.514 10 0 AHAERN C=C/C=C\CCCCC(=O)C(C)C ZINC000713752534 572786166 /nfs/dbraw/zinc/78/61/66/572786166.db2.gz NEJZPRROYZPXID-WAYWQWQTSA-N 0 0 180.291 3.514 10 0 AHAERN C=C/C=C\CCC(=O)C[C@H](C)CC ZINC000713753951 572789884 /nfs/dbraw/zinc/78/98/84/572789884.db2.gz SUHXYCOOCZJOKD-JMEBYUIHSA-N 0 0 180.291 3.514 10 0 AHAERN C=C/C=C/CCC(=O)C[C@@H](C)CC ZINC000713753952 572791343 /nfs/dbraw/zinc/79/13/43/572791343.db2.gz SUHXYCOOCZJOKD-MLRMMBSGSA-N 0 0 180.291 3.514 10 0 AHAERN C=C/C=C/CCC(=O)C[C@H](C)CC ZINC000713753954 572790748 /nfs/dbraw/zinc/79/07/48/572790748.db2.gz SUHXYCOOCZJOKD-XUIVZRPNSA-N 0 0 180.291 3.514 10 0 AHAERN C=C/C=C\CCC(=O)C[C@@H](C)CC ZINC000713753956 572789481 /nfs/dbraw/zinc/78/94/81/572789481.db2.gz SUHXYCOOCZJOKD-ZADCQDASSA-N 0 0 180.291 3.514 10 0 AHAERN C/C=C/CCc1cc(C)ccc1OC ZINC000714521416 572640801 /nfs/dbraw/zinc/64/08/01/572640801.db2.gz HPAITIJSCKLPMY-SNAWJCMRSA-N 0 0 190.286 3.512 10 0 AHAERN C/C=C/C[C@@H](C)c1ccc(O)cc1C ZINC000714522427 572662014 /nfs/dbraw/zinc/66/20/14/572662014.db2.gz QFZUDEZIYWRDSW-ORAHPGNNSA-N 0 0 190.286 3.770 10 0 AHAERN C/C=C/C[C@H](C)c1ccc(O)cc1C ZINC000714522445 572661064 /nfs/dbraw/zinc/66/10/64/572661064.db2.gz QFZUDEZIYWRDSW-YEZKRMTDSA-N 0 0 190.286 3.770 10 0 AHAERN C/C=C/CCc1c(C)cc(O)cc1C ZINC000714530815 572693904 /nfs/dbraw/zinc/69/39/04/572693904.db2.gz FZOBMBOYWGYMPZ-SNAWJCMRSA-N 0 0 190.286 3.518 10 0 AHAERN C/C=C/CCc1sccc1C ZINC000714531969 572697783 /nfs/dbraw/zinc/69/77/83/572697783.db2.gz MCOIYHFMGSCXPW-ONEGZZNKSA-N 0 0 166.289 3.565 10 0 AHAERN CC/C=C/C[C@@H](C)c1cccnc1 ZINC000714540229 572741638 /nfs/dbraw/zinc/74/16/38/572741638.db2.gz PGWHATPTGLDTFM-SGUJLRQBSA-N 0 0 175.275 3.541 10 0 AHAERN CC/C=C/C[C@H](C)c1cccnc1 ZINC000714540230 572740545 /nfs/dbraw/zinc/74/05/45/572740545.db2.gz PGWHATPTGLDTFM-ZWNMCFTASA-N 0 0 175.275 3.541 10 0 AHAERN C/C=C/CCc1c(F)cccc1Cl ZINC000714541915 572750384 /nfs/dbraw/zinc/75/03/84/572750384.db2.gz ZAAWSJCUTSIIEX-NSCUHMNNSA-N 0 0 198.668 3.988 10 0 AHAERN CC/C=C/[C@@H](C)Cc1ccsc1 ZINC000714546780 572760618 /nfs/dbraw/zinc/76/06/18/572760618.db2.gz OFNHCCQVYKAROV-ORAHPGNNSA-N 0 0 180.316 3.893 10 0 AHAERN CC/C=C/[C@H](C)Cc1ccsc1 ZINC000714546782 572760357 /nfs/dbraw/zinc/76/03/57/572760357.db2.gz OFNHCCQVYKAROV-YEZKRMTDSA-N 0 0 180.316 3.893 10 0 AHAERN C/C=C/C[C@H](C)c1ccc(F)cc1 ZINC000714550507 572790298 /nfs/dbraw/zinc/79/02/98/572790298.db2.gz WLEKGYBSOLJWFT-FSIBCCDJSA-N 0 0 178.250 3.895 10 0 AHAERN C/C=C/C[C@@H](C)c1ccc(F)cc1 ZINC000714550508 572791325 /nfs/dbraw/zinc/79/13/25/572791325.db2.gz WLEKGYBSOLJWFT-HMDXOVGESA-N 0 0 178.250 3.895 10 0 AHAERN C/C=C/[C@@H](C)Cc1ccc(C)cc1F ZINC000714551773 572797491 /nfs/dbraw/zinc/79/74/91/572797491.db2.gz DJQFYAPYKUCHKP-ORAHPGNNSA-N 0 0 192.277 3.889 10 0 AHAERN C/C=C/[C@H](C)Cc1ccc(C)cc1F ZINC000714551775 572798168 /nfs/dbraw/zinc/79/81/68/572798168.db2.gz DJQFYAPYKUCHKP-YEZKRMTDSA-N 0 0 192.277 3.889 10 0 AHAERN C/C=C/CCc1cc(C)c(C)cc1F ZINC000714556974 572806802 /nfs/dbraw/zinc/80/68/02/572806802.db2.gz FLEDWTXWFHKALB-SNAWJCMRSA-N 0 0 192.277 3.951 10 0 AHAERN CC/C=C/C[C@@H](CC)c1cccnc1 ZINC000714557039 572804608 /nfs/dbraw/zinc/80/46/08/572804608.db2.gz ILZZELWDMCZCLV-BTDICHCPSA-N 0 0 189.302 3.932 10 0 AHAERN CC/C=C/C[C@H](CC)c1cccnc1 ZINC000714557040 572806019 /nfs/dbraw/zinc/80/60/19/572806019.db2.gz ILZZELWDMCZCLV-FYJFLYSWSA-N 0 0 189.302 3.932 10 0 AHAERN C/C=C/C[C@@H](CC)c1ccncc1 ZINC000714557042 572806837 /nfs/dbraw/zinc/80/68/37/572806837.db2.gz ISJKVZNPTBFFDQ-JOAKQRRISA-N 0 0 175.275 3.541 10 0 AHAERN C/C=C/C[C@H](CC)c1ccncc1 ZINC000714557043 572804601 /nfs/dbraw/zinc/80/46/01/572804601.db2.gz ISJKVZNPTBFFDQ-TZNOJPMFSA-N 0 0 175.275 3.541 10 0 AHAERN C/C=C/CCc1ccc(F)c(C)c1 ZINC000714558076 572805128 /nfs/dbraw/zinc/80/51/28/572805128.db2.gz AMPWQWCGEMFMIH-ONEGZZNKSA-N 0 0 178.250 3.643 10 0 AHAERN Cc1cc(NC[C@@]2(C)C[C@@H]2C)cs1 ZINC000714710028 573523047 /nfs/dbraw/zinc/52/30/47/573523047.db2.gz ONLGFUQTSQDWMV-GZMMTYOYSA-N 0 0 195.331 3.515 10 0 AHAERN Cc1cc(NC[C@]2(C)C[C@H]2C)cs1 ZINC000714710029 573520961 /nfs/dbraw/zinc/52/09/61/573520961.db2.gz ONLGFUQTSQDWMV-KCJUWKMLSA-N 0 0 195.331 3.515 10 0 AHAERN Cc1cc(NC[C@]2(C)C[C@@H]2C)cs1 ZINC000714710030 573525127 /nfs/dbraw/zinc/52/51/27/573525127.db2.gz ONLGFUQTSQDWMV-KWQFWETISA-N 0 0 195.331 3.515 10 0 AHAERN Cc1cc(NC[C@@]2(C)C[C@H]2C)cs1 ZINC000714710031 573524054 /nfs/dbraw/zinc/52/40/54/573524054.db2.gz ONLGFUQTSQDWMV-LDYMZIIASA-N 0 0 195.331 3.515 10 0 AHAERN CCCCC(=O)CC[C@H]1C[C@@H]1C1CC1 ZINC000714842238 573162421 /nfs/dbraw/zinc/16/24/21/573162421.db2.gz FRRRIMCAUNSVLY-WCQYABFASA-N 0 0 194.318 3.572 10 0 AHAERN CCCCC(=O)CC[C@@H]1C[C@H]1C1CC1 ZINC000714842440 573162096 /nfs/dbraw/zinc/16/20/96/573162096.db2.gz FRRRIMCAUNSVLY-YPMHNXCESA-N 0 0 194.318 3.572 10 0 AHAERN CCCCCCC(=O)c1cc(C)co1 ZINC000716230045 573834929 /nfs/dbraw/zinc/83/49/29/573834929.db2.gz HOUUQIDGVZOELV-UHFFFAOYSA-N 0 0 194.274 3.741 10 0 AHAERN CCC[C@H](C)[C@H]1CCC(C)(C)C[C@@H]1O ZINC000717458453 573497459 /nfs/dbraw/zinc/49/74/59/573497459.db2.gz YXZBXDYUHMYMEE-TUAOUCFPSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@H]1CCC(C)(C)C[C@@H]1O ZINC000717459206 573503391 /nfs/dbraw/zinc/50/33/91/573503391.db2.gz ZMZQQYRYIZQGNQ-NEPJUHHUSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@@H]1CCC(C)(C)C[C@H]1O ZINC000717459209 573505564 /nfs/dbraw/zinc/50/55/64/573505564.db2.gz ZMZQQYRYIZQGNQ-NWDGAFQWSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@@H]1CCC(C)(C)C[C@@H]1O ZINC000717459212 573506005 /nfs/dbraw/zinc/50/60/05/573506005.db2.gz ZMZQQYRYIZQGNQ-RYUDHWBXSA-N 0 0 198.350 3.610 10 0 AHAERN CCC(CC)[C@H]1CCC(C)(C)C[C@H]1O ZINC000717459216 573506394 /nfs/dbraw/zinc/50/63/94/573506394.db2.gz ZMZQQYRYIZQGNQ-VXGBXAGGSA-N 0 0 198.350 3.610 10 0 AHAERN CC(C)CC[C@H]1CCC(C)(C)CC1=O ZINC000717506335 573604308 /nfs/dbraw/zinc/60/43/08/573604308.db2.gz XXXNIPNWENEPIZ-NSHDSACASA-N 0 0 196.334 3.818 10 0 AHAERN CCCC/C=C(/F)C(F)(F)F ZINC000725255094 537918575 /nfs/dbraw/zinc/91/85/75/537918575.db2.gz RRMCKFRAMOEFTG-AATRIKPKSA-N 0 0 170.149 3.592 10 0 AHAERN F/C(=C/c1ccsc1)C(F)(F)F ZINC000725255182 537920143 /nfs/dbraw/zinc/92/01/43/537920143.db2.gz VMAGYPISBHZGSS-ZZXKWVIFSA-N 0 0 196.168 3.621 10 0 AHAERN F/C(=C/c1cccs1)C(F)(F)F ZINC000725255270 537917416 /nfs/dbraw/zinc/91/74/16/537917416.db2.gz XYOXMBRXVYBHSA-GQCTYLIASA-N 0 0 196.168 3.621 10 0 AHAERN CC(C)(Cl)C1CCCCC1 ZINC000725261352 537924384 /nfs/dbraw/zinc/92/43/84/537924384.db2.gz IRRXDRDUXLGCNM-UHFFFAOYSA-N 0 0 160.688 3.584 10 0 AHAERN CC(C)(Cl)[C@H]1CC2CCC1CC2 ZINC000725261495 537925298 /nfs/dbraw/zinc/92/52/98/537925298.db2.gz WKLTWZVCWXGCOF-RTBKNWGFSA-N 0 0 186.726 3.830 10 0 AHAERN CC(C)(Cl)[C@@H]1CC2CCC1CC2 ZINC000725261496 537924373 /nfs/dbraw/zinc/92/43/73/537924373.db2.gz WKLTWZVCWXGCOF-UDNWOFFPSA-N 0 0 186.726 3.830 10 0 AHAERN COc1ccc(C(C)=C(C)C)cc1F ZINC000757571006 582939887 /nfs/dbraw/zinc/93/98/87/582939887.db2.gz GZPZVBBKMZVZHH-UHFFFAOYSA-N 0 0 194.249 3.648 10 0 AHAERN COc1ccc(C(C)=C(C)C)c(F)c1 ZINC000757571007 582939812 /nfs/dbraw/zinc/93/98/12/582939812.db2.gz GZQTYQXPFUWADE-UHFFFAOYSA-N 0 0 194.249 3.648 10 0 AHAERN CC(C)=C(C)c1ccc(C)cc1F ZINC000757572487 582958472 /nfs/dbraw/zinc/95/84/72/582958472.db2.gz ROKNVKUGPBTSPG-UHFFFAOYSA-N 0 0 178.250 3.947 10 0 AHAERN