smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cl/C(=C(/Cl)c1ccccc1)c1ccccc1 ZINC000000028302 180568075 /nfs/dbraw/zinc/56/80/75/180568075.db2.gz FTIHFTVXYNBUSM-BUHFOSPRSA-N 0 0 249.140 4.990 10 0 BJAERN Clc1ccc(Sc2cccs2)cc1 ZINC000000161193 342678419 /nfs/dbraw/zinc/67/84/19/342678419.db2.gz PIAUZDSRZBRMNM-UHFFFAOYSA-N 0 0 226.753 4.553 10 0 BJAERN ClC(Cl)=C(Cl)c1ccc(Cl)cc1 ZINC000000162800 180568595 /nfs/dbraw/zinc/56/85/95/180568595.db2.gz KQRVRRKQNVBFMN-UHFFFAOYSA-N 0 0 241.932 4.683 10 0 BJAERN CCC(C)(c1cccs1)c1cccs1 ZINC000000251234 168311303 /nfs/dbraw/zinc/31/13/03/168311303.db2.gz VDXCXFZLWIFZLS-UHFFFAOYSA-N 0 0 222.378 4.526 10 0 BJAERN CC1=C[C@H]2C(=C(C)CC[C@@H]2C(C)C)CC1 ZINC000000968236 168132413 /nfs/dbraw/zinc/13/24/13/168132413.db2.gz FUCYIEXQVQJBKY-UKRRQHHQSA-N 0 0 204.357 4.725 10 0 endogenous,in-man BJAERN CC1=CC[C@@]2(CC1)C(C)=CCCC2(C)C ZINC000000968467 168120340 /nfs/dbraw/zinc/12/03/40/168120340.db2.gz SIBCECUUMHIAAM-OAHLLOKOSA-N 0 0 204.357 4.869 10 0 biogenic,in-vitro BJAERN CC(C)=CCC[C@@H](C)c1ccc(C)cc1 ZINC000000968471 560125466 /nfs/dbraw/zinc/12/54/66/560125466.db2.gz VMYXUZSZMNBRCN-CQSZACIVSA-N 0 0 202.341 4.845 10 0 biogenic,in-man BJAERN CCC(C)(C)[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC000001461303 168305836 /nfs/dbraw/zinc/30/58/36/168305836.db2.gz ZSHOFFAGADFNTF-LBPRGKRZSA-N 0 0 241.378 4.709 10 0 BJAERN CCC(C)(C)[C@@H]1CCc2[nH]c3ccccc3c2C1 ZINC000001461304 168303723 /nfs/dbraw/zinc/30/37/23/168303723.db2.gz ZSHOFFAGADFNTF-GFCCVEGCSA-N 0 0 241.378 4.709 10 0 BJAERN CC(C)=CCC[C@H](C)c1ccc(C)cc1O ZINC000001493068 187987923 /nfs/dbraw/zinc/98/79/23/187987923.db2.gz BTXSROVNGICYFE-ZDUSSCGKSA-N 0 0 218.340 4.551 10 0 BJAERN Fc1cc(Cl)cc2cc(-c3ccccc3)[nH]c21 ZINC000001517910 356281072 /nfs/dbraw/zinc/28/10/72/356281072.db2.gz YIAJGOVOIGVNDE-UHFFFAOYSA-N 0 0 245.684 4.627 10 0 BJAERN Cc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000001518004 178320934 /nfs/dbraw/zinc/32/09/34/178320934.db2.gz VHYMVZWEZBYIMY-UHFFFAOYSA-N 0 0 241.721 4.797 10 0 BJAERN Clc1ccc(-c2cc3ccccc3[nH]2)s1 ZINC000001519038 356344223 /nfs/dbraw/zinc/34/42/23/356344223.db2.gz VHQJOTSBQJDZBA-UHFFFAOYSA-N 0 0 233.723 4.550 10 0 BJAERN Cc1cc(-c2cc3ccccc3[nH]2)c(C)s1 ZINC000001519039 177683129 /nfs/dbraw/zinc/68/31/29/177683129.db2.gz KTPCBRMSJMJWIK-UHFFFAOYSA-N 0 0 227.332 4.513 10 0 BJAERN CC(C)c1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000001519046 342702537 /nfs/dbraw/zinc/70/25/37/342702537.db2.gz IURBFPUSHUXGSV-UHFFFAOYSA-N 0 0 235.330 4.958 10 0 BJAERN CC(C)=CCC/C(C)=C/Cc1ccccc1O ZINC000001530273 560181404 /nfs/dbraw/zinc/18/14/04/560181404.db2.gz GWMVTXXXCDWZQS-SDNWHVSQSA-N 0 0 230.351 4.627 10 0 in-vitro BJAERN CC1=C(C)SC(=C2SC=CS2)S1 ZINC000001566074 168087156 /nfs/dbraw/zinc/08/71/56/168087156.db2.gz BTQDPOVTMFCMKB-UHFFFAOYSA-N 0 0 232.420 4.796 10 0 BJAERN c1ccc(CCc2ccc3ccccc3c2)cc1 ZINC000001602002 183395434 /nfs/dbraw/zinc/39/54/34/183395434.db2.gz JFYPVGUKRHOUDA-UHFFFAOYSA-N 0 0 232.326 4.625 10 0 BJAERN Nc1ccc(-c2ccccc2)c(-c2ccccc2)c1 ZINC000001603011 342705341 /nfs/dbraw/zinc/70/53/41/342705341.db2.gz SGNQTSWLIUHTQZ-UHFFFAOYSA-N 0 0 245.325 4.603 10 0 BJAERN CC[C@H](C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000001615297 171256671 /nfs/dbraw/zinc/25/66/71/171256671.db2.gz CELOWHKBPDLREM-ZDUSSCGKSA-N 0 0 238.330 4.582 10 0 BJAERN CC(C)=CCC[C@@H](C)c1ccc(C)cc1O ZINC000001616758 188081796 /nfs/dbraw/zinc/08/17/96/188081796.db2.gz BTXSROVNGICYFE-CYBMUJFWSA-N 0 0 218.340 4.551 10 0 BJAERN CC(C)OP(C1CCCC1)C1CCCC1 ZINC000001756211 167280270 /nfs/dbraw/zinc/28/02/70/167280270.db2.gz NGPPDXXDDCXIOJ-UHFFFAOYSA-N 0 0 228.316 4.694 10 0 BJAERN Clc1cc2c3c(cccc3n1)-c1ccccc1-2 ZINC000001758627 342712304 /nfs/dbraw/zinc/71/23/04/342712304.db2.gz NMJGBCONSRNWQR-UHFFFAOYSA-N 0 0 237.689 4.536 10 0 BJAERN c1ccc(Cc2ccccc2-c2ccccc2)cc1 ZINC000001759891 387701343 /nfs/dbraw/zinc/70/13/43/387701343.db2.gz ZOYJYNLKJSQUEM-UHFFFAOYSA-N 0 0 244.337 4.944 10 0 BJAERN CCCCCc1ccc(O)c(CCCCC)c1 ZINC000001851003 342713125 /nfs/dbraw/zinc/71/31/25/342713125.db2.gz GKPNMUZVXNHWPX-UHFFFAOYSA-N 0 0 234.383 4.858 10 0 BJAERN Clc1ccc(Cl)c(-c2ccccc2)c1 ZINC000002009475 351872090 /nfs/dbraw/zinc/87/20/90/351872090.db2.gz KKQWHYGECTYFIA-UHFFFAOYSA-N 0 0 223.102 4.660 10 0 in-vitro BJAERN FCCCCCCCCCCCCF ZINC000002040760 356629134 /nfs/dbraw/zinc/62/91/34/356629134.db2.gz DSWRGYZVKIIDBW-UHFFFAOYSA-N 0 0 206.320 4.826 10 0 BJAERN c1ccc2nc3c(cc2c1)CSc1ccccc1-3 ZINC000002040916 342715081 /nfs/dbraw/zinc/71/50/81/342715081.db2.gz PNSMXZODIXFDRD-UHFFFAOYSA-N 0 0 249.338 4.508 10 0 BJAERN CC[C@@H](C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000002045774 170684760 /nfs/dbraw/zinc/68/47/60/170684760.db2.gz CELOWHKBPDLREM-CYBMUJFWSA-N 0 0 238.330 4.582 10 0 BJAERN CCCCc1ccc(-c2cccc(C=O)c2)cc1 ZINC000002127659 169019191 /nfs/dbraw/zinc/01/91/91/169019191.db2.gz XLRKOYCECSXNRN-UHFFFAOYSA-N 0 0 238.330 4.509 10 0 BJAERN CCCCc1ccc(-c2ccc(C=O)cc2)cc1 ZINC000002127830 169019758 /nfs/dbraw/zinc/01/97/58/169019758.db2.gz WFYLCFMLLLYPIT-UHFFFAOYSA-N 0 0 238.330 4.509 10 0 BJAERN CCCCc1ccc(-c2ccccc2C=O)cc1 ZINC000002136809 169019569 /nfs/dbraw/zinc/01/95/69/169019569.db2.gz VNSPMDHOKSUDML-UHFFFAOYSA-N 0 0 238.330 4.509 10 0 BJAERN Clc1cc2ccccc2c(Cl)c1Cl ZINC000002384317 342719496 /nfs/dbraw/zinc/71/94/96/342719496.db2.gz QEPTXDCPBXMWJC-UHFFFAOYSA-N 0 0 231.509 4.800 10 0 BJAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](C1=CCCCC1)C2 ZINC000002444172 168010534 /nfs/dbraw/zinc/01/05/34/168010534.db2.gz MPMBOJLEPILIMV-OFQRWUPVSA-N 0 0 218.384 4.949 10 0 BJAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C1=CCCCC1)C2 ZINC000002444174 168004087 /nfs/dbraw/zinc/00/40/87/168004087.db2.gz MPMBOJLEPILIMV-YCPHGPKFSA-N 0 0 218.384 4.949 10 0 BJAERN CC(C)=CCC[C@@]1(C)[C@@H]2C[C@H]1C(C)=CC2 ZINC000002510648 188274888 /nfs/dbraw/zinc/27/48/88/188274888.db2.gz YMBFCQPIMVLNIU-KKUMJFAQSA-N 0 0 204.357 4.725 10 0 biogenic,in-vitro BJAERN CC(=O)OCCCCCCCCCCC(C)C ZINC000002567756 383975806 /nfs/dbraw/zinc/97/58/06/383975806.db2.gz HBNFJAUKNDPDBF-UHFFFAOYSA-N 0 0 242.403 4.716 10 0 BJAERN C/C=C/COc1ccc(OCCCCCC)cc1 ZINC000002576950 188274685 /nfs/dbraw/zinc/27/46/85/188274685.db2.gz QGVZNASWGRZIQD-GQCTYLIASA-N 0 0 248.366 4.601 10 0 BJAERN CCCCCCC(=O)c1c(F)cccc1Cl ZINC000002577951 342725189 /nfs/dbraw/zinc/72/51/89/342725189.db2.gz BZSMJIVNBJYICD-UHFFFAOYSA-N 0 0 242.721 4.632 10 0 BJAERN Cc1ccc2sc3cc(C)c(C)cc3c2c1 ZINC000002583651 350082656 /nfs/dbraw/zinc/08/26/56/350082656.db2.gz QSOGKFSFLARZIE-UHFFFAOYSA-N 0 0 226.344 4.980 10 0 BJAERN Cc1ccc(/C=C/c2cccc3ccccc23)cn1 ZINC000003096939 187246091 /nfs/dbraw/zinc/24/60/91/187246091.db2.gz FLRJERDWTATWNQ-VAWYXSNFSA-N 0 0 245.325 4.714 10 0 BJAERN CC(C)COc1ccc(Oc2ccccc2)cc1 ZINC000003205583 187584794 /nfs/dbraw/zinc/58/47/94/187584794.db2.gz SZDAWZRSXIWWHD-UHFFFAOYSA-N 0 0 242.318 4.514 10 0 BJAERN Cc1cc(C)c2cc(-c3ccsc3)cnc2c1 ZINC000003832218 384028537 /nfs/dbraw/zinc/02/85/37/384028537.db2.gz YXZQRTLGEGYVTJ-UHFFFAOYSA-N 0 0 239.343 4.580 10 0 in-vivo BJAERN CN(c1ccccc1)c1cccc2ccccc21 ZINC000005140755 342759029 /nfs/dbraw/zinc/75/90/29/342759029.db2.gz KKJDTCBLJTWINH-UHFFFAOYSA-N 0 0 233.314 4.608 10 0 BJAERN CC(C)=CCC/C(C)=C/CCc1ccoc1 ZINC000005158581 571688518 /nfs/dbraw/zinc/68/85/18/571688518.db2.gz LZBXPXAOYQVZEC-RIYZIHGNSA-N 0 0 218.340 4.905 10 0 endogenous,in-man BJAERN Cc1ccc(-c2ccccc2)nc1-c1ccccc1 ZINC000005160855 178326433 /nfs/dbraw/zinc/32/64/33/178326433.db2.gz CZJKYAPZMSCBHB-UHFFFAOYSA-N 0 0 245.325 4.724 10 0 BJAERN O=C1CCCCCCCCCCCCC1 ZINC000005189319 560201198 /nfs/dbraw/zinc/20/11/98/560201198.db2.gz FUGDHQXYVPQGLJ-UHFFFAOYSA-N 0 0 210.361 4.640 10 0 biogenic,in-vitro BJAERN CC(C)(Cc1ccccc1)Sc1ccccc1 ZINC000005284402 187757680 /nfs/dbraw/zinc/75/76/80/187757680.db2.gz DTQJBHPHIZDPGG-UHFFFAOYSA-N 0 0 242.387 4.800 10 0 BJAERN CCCC[C@@H]1[C@H](CCC)Cc2ccccc2N1C ZINC000005309808 534957952 /nfs/dbraw/zinc/95/79/52/534957952.db2.gz QQIPKPMNDCNWQY-GDBMZVCRSA-N 0 0 245.410 4.654 10 0 BJAERN CCCC[C@H]1[C@H](CCC)Cc2ccccc2N1C ZINC000005310150 132317241 /nfs/dbraw/zinc/31/72/41/132317241.db2.gz QQIPKPMNDCNWQY-ZBFHGGJFSA-N 0 0 245.410 4.654 10 0 BJAERN CCC[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000005310792 169371220 /nfs/dbraw/zinc/37/12/20/169371220.db2.gz VXFDISWDMVERLN-MRVPVSSYSA-N 0 0 232.154 4.594 10 0 BJAERN CC1=CC(C)(C)Nc2ccc(-c3ccccc3)cc21 ZINC000005315096 168093238 /nfs/dbraw/zinc/09/32/38/168093238.db2.gz XKBGEVHKVFIMLY-UHFFFAOYSA-N 0 0 249.357 4.961 10 0 in-vivo BJAERN Cc1cnc(-c2ccccc2)cc1-c1ccccc1 ZINC000005331163 342762251 /nfs/dbraw/zinc/76/22/51/342762251.db2.gz UTSRDZGRYCSCJK-UHFFFAOYSA-N 0 0 245.325 4.724 10 0 BJAERN S=c1cc(-c2ccccc2)c2ccccc2[nH]1 ZINC000005332049 183314487 /nfs/dbraw/zinc/31/44/87/183314487.db2.gz MXXDDLIMKVSDCA-UHFFFAOYSA-N 0 0 237.327 4.564 10 0 BJAERN Cc1ccc(-c2cc[nH]c2-c2ccc(C)cc2)cc1 ZINC000005416994 178323495 /nfs/dbraw/zinc/32/34/95/178323495.db2.gz UAEUNFADBINZTG-UHFFFAOYSA-N 0 0 247.341 4.966 10 0 BJAERN Cc1ccc([C@H](c2ccc(C)s2)C(C)C)o1 ZINC000005417652 178917508 /nfs/dbraw/zinc/91/75/08/178917508.db2.gz VCHGFWTZVUVYAW-CQSZACIVSA-N 0 0 234.364 4.746 10 0 BJAERN C[C@@H]1CCCCCCCCc2cccc(n2)C1 ZINC000005423470 560201826 /nfs/dbraw/zinc/20/18/26/560201826.db2.gz IMNKABOILQOFDL-CQSZACIVSA-N 0 0 231.383 4.547 10 0 biogenic,in-vitro BJAERN CC(C)c1cc(C(C)C)c(O)c(C(C)C)c1 ZINC000005447531 342764080 /nfs/dbraw/zinc/76/40/80/342764080.db2.gz HVFKKINZIWVNQG-UHFFFAOYSA-N 0 0 220.356 4.762 10 0 BJAERN CCCCCCSC=C(Cl)Cl ZINC000005502392 342764917 /nfs/dbraw/zinc/76/49/17/342764917.db2.gz GPENWMKBAVVYGM-UHFFFAOYSA-N 0 0 213.173 4.576 10 0 BJAERN Cc1cc(C)cc(OCc2ccc(Cl)cc2)c1 ZINC000005539616 342765592 /nfs/dbraw/zinc/76/55/92/342765592.db2.gz RLPDDKOYAQMNII-UHFFFAOYSA-N 0 0 246.737 4.536 10 0 BJAERN Cc1cc(C)cc(OCc2ccccc2Cl)c1 ZINC000005539622 342765558 /nfs/dbraw/zinc/76/55/58/342765558.db2.gz FNZYMMHMTTVAIG-UHFFFAOYSA-N 0 0 246.737 4.536 10 0 BJAERN Cc1cccc(C)c1OCc1ccc(Cl)cc1 ZINC000005548866 179047759 /nfs/dbraw/zinc/04/77/59/179047759.db2.gz SBIYBQKVGXHRLX-UHFFFAOYSA-N 0 0 246.737 4.536 10 0 BJAERN Cc1cccc(C)c1OCc1ccccc1Cl ZINC000005548868 179047672 /nfs/dbraw/zinc/04/76/72/179047672.db2.gz CYICASRENHUFGL-UHFFFAOYSA-N 0 0 246.737 4.536 10 0 BJAERN Cc1cccc(Nc2cc(C)c3ccccc3n2)c1 ZINC000005589673 179158991 /nfs/dbraw/zinc/15/89/91/179158991.db2.gz FWUCMKWUGMLQSR-UHFFFAOYSA-N 0 0 248.329 4.595 10 0 BJAERN CCc1cc(O)c(C(C)(C)C)cc1C(C)(C)C ZINC000005688555 171769492 /nfs/dbraw/zinc/76/94/92/171769492.db2.gz OATMJDXPGMCSRS-UHFFFAOYSA-N 0 0 234.383 4.550 10 0 BJAERN CC(C)CCCCCCCCCCCCO ZINC000005758047 166800474 /nfs/dbraw/zinc/80/04/74/166800474.db2.gz FDAZSZUYCOPJED-UHFFFAOYSA-N 0 0 228.420 4.926 10 0 in-vitro BJAERN CC(C)CCCCCCc1ccccc1O ZINC000005758412 166801475 /nfs/dbraw/zinc/80/14/75/166801475.db2.gz UZVAZDQMPUOHKP-UHFFFAOYSA-N 0 0 220.356 4.541 10 0 BJAERN CC1C=C(C(C)(C)C)OC(C(C)(C)C)=C1 ZINC000005767815 168139620 /nfs/dbraw/zinc/13/96/20/168139620.db2.gz LKHUJYMYGPBYGK-UHFFFAOYSA-N 0 0 208.345 4.513 10 0 BJAERN Clc1cccc(-c2cc3ccccc3o2)c1 ZINC000005777144 353561825 /nfs/dbraw/zinc/56/18/25/353561825.db2.gz NCBFJCZHXULOCO-UHFFFAOYSA-N 0 0 228.678 4.753 10 0 BJAERN CCCC/C=C/CCCCCCCCOC=O ZINC000005819779 187249080 /nfs/dbraw/zinc/24/90/80/187249080.db2.gz MAOWSVNIDSZOBR-AATRIKPKSA-N 0 0 240.387 4.637 10 0 BJAERN Clc1ccc2oc3c(cccc3Cl)c2c1 ZINC000005845576 342770531 /nfs/dbraw/zinc/77/05/31/342770531.db2.gz XVLCNKFGFHUQNL-UHFFFAOYSA-N 0 0 237.085 4.893 10 0 BJAERN CCOCOC1CCCCCCCCCCC1 ZINC000005859128 170430264 /nfs/dbraw/zinc/43/02/64/170430264.db2.gz VQNUNMBDOKEZHS-UHFFFAOYSA-N 0 0 242.403 4.670 10 0 BJAERN Clc1cccc(Oc2ccccc2)c1Cl ZINC000005934078 350086635 /nfs/dbraw/zinc/08/66/35/350086635.db2.gz VSKSUBSGORDMQX-UHFFFAOYSA-N 0 0 239.101 4.786 10 0 BJAERN C[C@@H]1CCCCCCCCCCCCC(=O)O1 ZINC000006030841 188096870 /nfs/dbraw/zinc/09/68/70/188096870.db2.gz LVECZGHBXXYWBO-CQSZACIVSA-N 0 0 240.387 4.613 10 0 BJAERN C[C@H]1CCCCCCCCCCCCC(=O)O1 ZINC000006037512 188269322 /nfs/dbraw/zinc/26/93/22/188269322.db2.gz LVECZGHBXXYWBO-AWEZNQCLSA-N 0 0 240.387 4.613 10 0 BJAERN COc1c(C(C)(C)C)cc(C)cc1C(C)(C)C ZINC000006069679 355807411 /nfs/dbraw/zinc/80/74/11/355807411.db2.gz TVWAVADIILZVIY-UHFFFAOYSA-N 0 0 234.383 4.599 10 0 BJAERN Oc1ccc(C2CCCC2)cc1C1CCCC1 ZINC000006091845 183269661 /nfs/dbraw/zinc/26/96/61/183269661.db2.gz IGXUCIAXEPFJAX-UHFFFAOYSA-N 0 0 230.351 4.707 10 0 BJAERN c1csc(-c2cnc(-c3cccs3)s2)c1 ZINC000006093648 369031447 /nfs/dbraw/zinc/03/14/47/369031447.db2.gz JDCIPLXSEBFYGN-UHFFFAOYSA-N 0 0 249.385 4.600 10 0 BJAERN Clc1cccc2c(Cl)c3ccccc3nc12 ZINC000006117627 369031944 /nfs/dbraw/zinc/03/19/44/369031944.db2.gz VPJCMJYPXQMRLS-UHFFFAOYSA-N 0 0 248.112 4.695 10 0 BJAERN Cc1ccc(NCc2ccc(C(C)C)cc2)cc1 ZINC000006332111 353593166 /nfs/dbraw/zinc/59/31/66/353593166.db2.gz HDTQLGIGYUHDKO-UHFFFAOYSA-N 0 0 239.362 4.731 10 0 BJAERN Clc1ccc2c(c1)Oc1ccccc1S2 ZINC000006583338 383961698 /nfs/dbraw/zinc/96/16/98/383961698.db2.gz WARVIHWJLPTTEB-UHFFFAOYSA-N 0 0 234.707 4.597 10 0 BJAERN COc1ccc(-c2cc3ccccc3s2)cc1 ZINC000006793812 175032725 /nfs/dbraw/zinc/03/27/25/175032725.db2.gz ADKCFCOXELVRJV-UHFFFAOYSA-N 0 0 240.327 4.577 10 0 BJAERN Cc1ccc(-c2cc3ccccc3s2)cc1 ZINC000006814948 178321105 /nfs/dbraw/zinc/32/11/05/178321105.db2.gz XJLLNQDYYNJHFS-UHFFFAOYSA-N 0 0 224.328 4.877 10 0 BJAERN Cc1ccccc1-c1cc2ccccc2s1 ZINC000006816458 179235903 /nfs/dbraw/zinc/23/59/03/179235903.db2.gz YRVHMRWCFHMYQK-UHFFFAOYSA-N 0 0 224.328 4.877 10 0 BJAERN Cc1ccc(/C=C/c2ccc3ccccc3n2)cc1 ZINC000006831383 187242046 /nfs/dbraw/zinc/24/20/46/187242046.db2.gz MOXMLJIFOABOBX-ZRDIBKRKSA-N 0 0 245.325 4.714 10 0 BJAERN CC(C)=CCC[C@H](C)[C@@H]1C=CC(C)=CC1 ZINC000008234296 256557583 /nfs/dbraw/zinc/55/75/83/256557583.db2.gz KKOXKGNSUHTUBV-LSDHHAIUSA-N 0 0 204.357 4.891 10 0 endogenous,in-man BJAERN Cc1ccc(-c2csc(=S)s2)cc1 ZINC000009691741 342911104 /nfs/dbraw/zinc/91/11/04/342911104.db2.gz ZTXLBTWUKWDHDZ-UHFFFAOYSA-N 0 0 224.375 4.515 10 0 BJAERN CC(C)c1ccc(C(=O)C2CCCCC2)cc1 ZINC000011631684 256514101 /nfs/dbraw/zinc/51/41/01/256514101.db2.gz WQYCAPDZCNPCMA-UHFFFAOYSA-N 0 0 230.351 4.573 10 0 BJAERN CC(C)(C)c1ccc(C(=O)C2CCCCC2)cc1 ZINC000011631685 188104946 /nfs/dbraw/zinc/10/49/46/188104946.db2.gz RKZPVNLZPJLZFH-UHFFFAOYSA-N 0 0 244.378 4.747 10 0 BJAERN CC(C)=CCC[C@H](C)c1ccc(C)c(O)c1 ZINC000013377483 388132747 /nfs/dbraw/zinc/13/27/47/388132747.db2.gz FKWGCEDRLNNZOZ-LBPRGKRZSA-N 0 0 218.340 4.551 10 0 endogenous,in-man BJAERN Cc1ccc(-c2cc3ccc(O)cc3s2)cc1 ZINC000013472830 178321126 /nfs/dbraw/zinc/32/11/26/178321126.db2.gz GLGSXNORTCZYDV-UHFFFAOYSA-N 0 0 240.327 4.582 10 0 BJAERN Oc1c(C2CCCC2)cccc1C1CCCC1 ZINC000013475035 183252624 /nfs/dbraw/zinc/25/26/24/183252624.db2.gz BMTAWHXOXODJBS-UHFFFAOYSA-N 0 0 230.351 4.707 10 0 BJAERN CN(C)c1ccc2c3c(cccc31)-c1ccccc1-2 ZINC000013557342 343094068 /nfs/dbraw/zinc/09/40/68/343094068.db2.gz YJIGUJPBBIAGKZ-UHFFFAOYSA-N 0 0 245.325 4.553 10 0 BJAERN C=C/C(=C\CO)CC/C=C(\C)CCC=C(C)C 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/nfs/dbraw/zinc/10/03/62/343100362.db2.gz FTBOKBNMIAPUAJ-ZDUSSCGKSA-N 0 0 235.330 4.520 10 0 in-vivo BJAERN Cc1ccc(C)c2ncc(-c3ccsc3)cc12 ZINC000013737707 343101862 /nfs/dbraw/zinc/10/18/62/343101862.db2.gz JJQORFFMMXHMKH-UHFFFAOYSA-N 0 0 239.343 4.580 10 0 BJAERN CCc1ccc2c(c1)Oc1ccccc1S2 ZINC000013779746 171847489 /nfs/dbraw/zinc/84/74/89/171847489.db2.gz LVTVHKBJJQEETH-UHFFFAOYSA-N 0 0 228.316 4.506 10 0 BJAERN CC1=CCC[C@@H](C)[C@]1(C)CCc1ccoc1 ZINC000014594051 168102172 /nfs/dbraw/zinc/10/21/72/168102172.db2.gz AIKFIBDPVFKLSI-UKRRQHHQSA-N 0 0 218.340 4.595 10 0 BJAERN CC1=CCC[C@H](C)[C@]1(C)CCc1ccoc1 ZINC000014594052 168104109 /nfs/dbraw/zinc/10/41/09/168104109.db2.gz AIKFIBDPVFKLSI-DZGCQCFKSA-N 0 0 218.340 4.595 10 0 BJAERN CC1=CCC[C@@H](C)[C@@]1(C)CCc1ccoc1 ZINC000014594053 168101378 /nfs/dbraw/zinc/10/13/78/168101378.db2.gz AIKFIBDPVFKLSI-HIFRSBDPSA-N 0 0 218.340 4.595 10 0 BJAERN CC1=CCC[C@H](C)[C@@]1(C)CCc1ccoc1 ZINC000014594054 168103000 /nfs/dbraw/zinc/10/30/00/168103000.db2.gz AIKFIBDPVFKLSI-ZFWWWQNUSA-N 0 0 218.340 4.595 10 0 BJAERN C[C@H]1CCCCCCCCc2cccc(n2)C1 ZINC000014611383 384303418 /nfs/dbraw/zinc/30/34/18/384303418.db2.gz IMNKABOILQOFDL-AWEZNQCLSA-N 0 0 231.383 4.547 10 0 BJAERN CN(c1ccccc1)c1ccc2ccccc2c1 ZINC000014652005 342883797 /nfs/dbraw/zinc/88/37/97/342883797.db2.gz WXXHOQJPLCZXLB-UHFFFAOYSA-N 0 0 233.314 4.608 10 0 BJAERN CCN(c1ccccc1)c1ccc2ccccc2c1 ZINC000014652008 169943641 /nfs/dbraw/zinc/94/36/41/169943641.db2.gz MJHAKEPJAPLAHH-UHFFFAOYSA-N 0 0 247.341 4.998 10 0 BJAERN CC(C)=CCC/C(C)=C/Cc1occc1C ZINC000014697015 188253795 /nfs/dbraw/zinc/25/37/95/188253795.db2.gz CKUQXDUZAWSPOV-MDWZMJQESA-N 0 0 218.340 4.823 10 0 BJAERN C/C=C/CCc1cc2occ(C)c2cc1C ZINC000015212863 560229283 /nfs/dbraw/zinc/22/92/83/560229283.db2.gz YSEAISJCEBJBPG-SNAWJCMRSA-N 0 0 214.308 4.558 10 0 biogenic,in-vitro BJAERN Cc1ccc(-c2csc3ccccc32)cc1 ZINC000015778617 178330483 /nfs/dbraw/zinc/33/04/83/178330483.db2.gz MIOIRTCEDNSSTG-UHFFFAOYSA-N 0 0 224.328 4.877 10 0 BJAERN c1ccc(SC2=CCCCCC2)cc1 ZINC000015781873 187416227 /nfs/dbraw/zinc/41/62/27/187416227.db2.gz UXWPPZDETUOMQH-UHFFFAOYSA-N 0 0 204.338 4.627 10 0 BJAERN CSc1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000016947395 188106968 /nfs/dbraw/zinc/10/69/68/188106968.db2.gz BSGXVPNRPRFZMQ-UHFFFAOYSA-N 0 0 239.343 4.557 10 0 BJAERN Fc1cc(-c2ccc3[nH]ccc3c2)ccc1Cl ZINC000016947421 342917902 /nfs/dbraw/zinc/91/79/02/342917902.db2.gz QIKNLTBMGNHGNF-UHFFFAOYSA-N 0 0 245.684 4.627 10 0 BJAERN CC(C)(C)c1ccc(-c2ccc(C=O)s2)cc1 ZINC000016947834 342917910 /nfs/dbraw/zinc/91/79/10/342917910.db2.gz DDEVJQDGKYYOKK-UHFFFAOYSA-N 0 0 244.359 4.525 10 0 BJAERN CC(C)(C)c1ccc(-c2csc(C=O)c2)cc1 ZINC000016947837 187251762 /nfs/dbraw/zinc/25/17/62/187251762.db2.gz NQJLDUNCTHXCSW-UHFFFAOYSA-N 0 0 244.359 4.525 10 0 BJAERN CCC[C@@H](C)CNc1cccc(Cl)c1Cl ZINC000019230306 169360578 /nfs/dbraw/zinc/36/05/78/169360578.db2.gz FKIBUMZDFRHBHB-SECBINFHSA-N 0 0 246.181 4.842 10 0 BJAERN 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/nfs/dbraw/zinc/38/07/01/183380701.db2.gz RHMQQPNKXHBQOT-UHFFFAOYSA-N 0 0 249.313 4.559 10 0 BJAERN Cc1ccc([C@H](C)Nc2ccccc2C(C)C)o1 ZINC000019907254 178900627 /nfs/dbraw/zinc/90/06/27/178900627.db2.gz GKHMRZNFXKSZKY-ZDUSSCGKSA-N 0 0 243.350 4.885 10 0 BJAERN Cc1ccc([C@H](C)Nc2ccc(C)c(C)c2)s1 ZINC000019920267 178900249 /nfs/dbraw/zinc/90/02/49/178900249.db2.gz SGRDXNLITSAWIK-ZDUSSCGKSA-N 0 0 245.391 4.846 10 0 BJAERN C[C@H](Nc1ccccc1Cl)c1ccccc1 ZINC000019942591 176936559 /nfs/dbraw/zinc/93/65/59/176936559.db2.gz FUWVSQBMDYXSMK-NSHDSACASA-N 0 0 231.726 4.513 10 0 BJAERN Cc1cc(C)cc(N[C@H](C)c2cccs2)c1 ZINC000019952758 177910951 /nfs/dbraw/zinc/91/09/51/177910951.db2.gz LBYBFAIBMFBWIA-GFCCVEGCSA-N 0 0 231.364 4.538 10 0 BJAERN CC[C@@H](Nc1ccccc1C)c1ccccc1 ZINC000019964968 347329568 /nfs/dbraw/zinc/32/95/68/347329568.db2.gz OYJDHZYEJMFMEC-OAHLLOKOSA-N 0 0 225.335 4.558 10 0 BJAERN CC[C@H](Nc1ccccc1C)c1ccccc1 ZINC000019964969 171552220 /nfs/dbraw/zinc/55/22/20/171552220.db2.gz 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10 0 BJAERN Cc1ccc(CNc2ccc(C(C)C)cc2)cc1 ZINC000019982552 178636246 /nfs/dbraw/zinc/63/62/46/178636246.db2.gz ZFPMJSWXMIQHRI-UHFFFAOYSA-N 0 0 239.362 4.731 10 0 BJAERN Cc1cccc(NCc2ccc(C(C)C)cc2)c1 ZINC000019985710 179149257 /nfs/dbraw/zinc/14/92/57/179149257.db2.gz YOSPCVCMEANCIS-UHFFFAOYSA-N 0 0 239.362 4.731 10 0 BJAERN Cc1cc([C@@H](C)Nc2ccccc2C)c(C)s1 ZINC000019986872 259386673 /nfs/dbraw/zinc/38/66/73/259386673.db2.gz QLVVAEXBXOKVOE-GFCCVEGCSA-N 0 0 245.391 4.846 10 0 BJAERN Cc1cc([C@H](C)Nc2ccccc2C)c(C)s1 ZINC000019986876 259386822 /nfs/dbraw/zinc/38/68/22/259386822.db2.gz QLVVAEXBXOKVOE-LBPRGKRZSA-N 0 0 245.391 4.846 10 0 BJAERN CCC(CC)CNc1ccc(Cl)cc1Cl ZINC000019989281 168364342 /nfs/dbraw/zinc/36/43/42/168364342.db2.gz HGANFWWRIHWKJN-UHFFFAOYSA-N 0 0 246.181 4.842 10 0 BJAERN Cc1ccccc1CNc1cccc(C(C)C)c1 ZINC000019993737 179285672 /nfs/dbraw/zinc/28/56/72/179285672.db2.gz FXGIYSOGCFIRGD-UHFFFAOYSA-N 0 0 239.362 4.731 10 0 BJAERN CC[C@H](C[C@@H](C)CC)Nc1ccc2c(c1)CCC2 ZINC000019994284 171296997 /nfs/dbraw/zinc/29/69/97/171296997.db2.gz YQPWYDLHVGNMQS-XJKSGUPXSA-N 0 0 245.410 4.802 10 0 BJAERN CC[C@H](C)C[C@H](CC)Nc1ccc2c(c1)CCC2 ZINC000019994289 171299167 /nfs/dbraw/zinc/29/91/67/171299167.db2.gz YQPWYDLHVGNMQS-BBRMVZONSA-N 0 0 245.410 4.802 10 0 BJAERN CCC[C@@H](Nc1ccc(C)cc1)c1ccccc1 ZINC000019997396 169403296 /nfs/dbraw/zinc/40/32/96/169403296.db2.gz NPIBKWFMJISXJS-QGZVFWFLSA-N 0 0 239.362 4.948 10 0 BJAERN CCC1CCC(Nc2ccc(C)c(F)c2)CC1 ZINC000020000057 168523008 /nfs/dbraw/zinc/52/30/08/168523008.db2.gz HUMIAPUKKHRDSA-UHFFFAOYSA-N 0 0 235.346 4.515 10 0 BJAERN CCC(CC)CNc1ccccc1C(F)(F)F ZINC000020004786 168365765 /nfs/dbraw/zinc/36/57/65/168365765.db2.gz XXDIXWBLIMPVIR-UHFFFAOYSA-N 0 0 245.288 4.554 10 0 BJAERN CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1 ZINC000020006333 188462689 /nfs/dbraw/zinc/46/26/89/188462689.db2.gz ZHMDGRSRFFWBJC-CABCVRRESA-N 0 0 249.373 4.843 10 0 BJAERN c1cc(NC2CCCCCCC2)cc2c1CCC2 ZINC000020006345 183369801 /nfs/dbraw/zinc/36/98/01/183369801.db2.gz WXDBIFBZWXEVNH-UHFFFAOYSA-N 0 0 243.394 4.700 10 0 BJAERN Cc1ccccc1[C@@H](C)Nc1cccc(Cl)c1 ZINC000020006730 179323411 /nfs/dbraw/zinc/32/34/11/179323411.db2.gz RTSQRRHLQDOYPF-GFCCVEGCSA-N 0 0 245.753 4.822 10 0 BJAERN Cc1ccccc1[C@H](C)Nc1cccc(Cl)c1 ZINC000020006732 179340463 /nfs/dbraw/zinc/34/04/63/179340463.db2.gz RTSQRRHLQDOYPF-LBPRGKRZSA-N 0 0 245.753 4.822 10 0 BJAERN COc1ccc(C)cc1NC1CCCCCCC1 ZINC000020011221 175078396 /nfs/dbraw/zinc/07/83/96/175078396.db2.gz STNVVSJXNARKOU-UHFFFAOYSA-N 0 0 247.382 4.528 10 0 BJAERN Cc1ccccc1CNc1cc(Cl)ccc1C ZINC000020014615 179284555 /nfs/dbraw/zinc/28/45/55/179284555.db2.gz LNQGCASTVGMZNJ-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN CCC[C@@H](C)CNc1ccc(Cl)c(Cl)c1 ZINC000020016069 169360728 /nfs/dbraw/zinc/36/07/28/169360728.db2.gz BNUCCQPGESQIGD-SECBINFHSA-N 0 0 246.181 4.842 10 0 BJAERN CCC(CC)CNc1ccc(C(C)C)cc1 ZINC000020016752 168364309 /nfs/dbraw/zinc/36/43/09/168364309.db2.gz HCPFDUGAZARFGQ-UHFFFAOYSA-N 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C[C@@H](Nc1cccc(Cl)c1F)c1ccccc1 ZINC000020303395 175933203 /nfs/dbraw/zinc/93/32/03/175933203.db2.gz KGFIGRKQASCDRM-SNVBAGLBSA-N 0 0 249.716 4.652 10 0 BJAERN CCCCCCNc1ccc(C)c(Cl)c1 ZINC000020359013 168670845 /nfs/dbraw/zinc/67/08/45/168670845.db2.gz UAPYXKFBNCSRJM-UHFFFAOYSA-N 0 0 225.763 4.641 10 0 BJAERN CCCCCCNc1ccccc1C(F)(F)F ZINC000020359055 168670290 /nfs/dbraw/zinc/67/02/90/168670290.db2.gz OPNXSAAPUJLCCH-UHFFFAOYSA-N 0 0 245.288 4.698 10 0 BJAERN CCCCCCNc1cccc(C(F)(F)F)c1 ZINC000020359093 168670486 /nfs/dbraw/zinc/67/04/86/168670486.db2.gz HHTKFCZHQWACHS-UHFFFAOYSA-N 0 0 245.288 4.698 10 0 BJAERN CC[C@@H](Nc1ccc(C)cc1F)c1cccs1 ZINC000020371192 170915089 /nfs/dbraw/zinc/91/50/89/170915089.db2.gz JSCBLUDCBDOZKX-GFCCVEGCSA-N 0 0 249.354 4.759 10 0 BJAERN CC[C@H](C[C@@H](C)CC)Nc1ccc(C)cc1F ZINC000020371398 171296132 /nfs/dbraw/zinc/29/61/32/171296132.db2.gz ZEJBVTYRXFQJDG-WCQYABFASA-N 0 0 237.362 4.761 10 0 BJAERN CC[C@H](C)C[C@H](CC)Nc1ccc(C)cc1F ZINC000020371404 171298874 /nfs/dbraw/zinc/29/88/74/171298874.db2.gz ZEJBVTYRXFQJDG-AAEUAGOBSA-N 0 0 237.362 4.761 10 0 BJAERN Cc1cc([C@@H](C)Nc2cccc(Cl)c2)c(C)o1 ZINC000020438171 178234118 /nfs/dbraw/zinc/23/41/18/178234118.db2.gz QZYOMGHFTMDVGF-SNVBAGLBSA-N 0 0 249.741 4.723 10 0 BJAERN Cc1cc([C@H](C)Nc2cccc(Cl)c2)c(C)o1 ZINC000020438173 178260103 /nfs/dbraw/zinc/26/01/03/178260103.db2.gz QZYOMGHFTMDVGF-JTQLQIEISA-N 0 0 249.741 4.723 10 0 BJAERN CCc1ccc(N[C@@H](C)c2cc(C)oc2C)cc1 ZINC000020438332 171821900 /nfs/dbraw/zinc/82/19/00/171821900.db2.gz NUFLOCLXUZXYOE-LBPRGKRZSA-N 0 0 243.350 4.632 10 0 BJAERN CCCCC[C@H](C)Nc1ccc(OC(C)C)cc1 ZINC000020472724 168744392 /nfs/dbraw/zinc/74/43/92/168744392.db2.gz LERNHQBYVICEJN-AWEZNQCLSA-N 0 0 249.398 4.855 10 0 BJAERN CC(C)CNc1ccc2oc3ccccc3c2c1 ZINC000020544930 167016216 /nfs/dbraw/zinc/01/62/16/167016216.db2.gz CTKYCAOQEAHCAJ-UHFFFAOYSA-N 0 0 239.318 4.654 10 0 BJAERN CCC(CC)CNc1cccc(C(C)C)c1 ZINC000020545644 168366179 /nfs/dbraw/zinc/36/61/79/168366179.db2.gz CBKJKODNXXUIQT-UHFFFAOYSA-N 0 0 219.372 4.658 10 0 BJAERN Cc1cccc(CNc2ccc(C(C)C)cc2)c1 ZINC000020545708 187591270 /nfs/dbraw/zinc/59/12/70/187591270.db2.gz VZNNOQWNIMBVHA-UHFFFAOYSA-N 0 0 239.362 4.731 10 0 BJAERN CCC[C@@H](C)CNc1ccccc1C(F)(F)F ZINC000020546395 169361356 /nfs/dbraw/zinc/36/13/56/169361356.db2.gz YGWDIGPKMRFKKX-SNVBAGLBSA-N 0 0 245.288 4.554 10 0 BJAERN CCc1ccccc1N[C@@H](CC)C[C@@H](C)CC ZINC000020547503 171889616 /nfs/dbraw/zinc/88/96/16/171889616.db2.gz QUFQOMAGAGMRBY-ZFWWWQNUSA-N 0 0 233.399 4.876 10 0 BJAERN CCCc1ccc(NC2CCCCCC2)cc1 ZINC000020547622 169571766 /nfs/dbraw/zinc/57/17/66/169571766.db2.gz JBUMYNUWEGQAKF-UHFFFAOYSA-N 0 0 231.383 4.774 10 0 BJAERN CC(C)CNc1ccccc1Oc1ccccc1 ZINC000020547943 167019797 /nfs/dbraw/zinc/01/97/97/167019797.db2.gz TVPLAMYKVGEXPY-UHFFFAOYSA-N 0 0 241.334 4.547 10 0 BJAERN CCC[C@@H](C)CNc1cccc(C(C)C)c1 ZINC000020549288 169360921 /nfs/dbraw/zinc/36/09/21/169360921.db2.gz UHHBDMJKABIDTP-CYBMUJFWSA-N 0 0 219.372 4.658 10 0 BJAERN CCC(CC)CNc1ccc(C(C)(C)C)cc1 ZINC000020550038 168364382 /nfs/dbraw/zinc/36/43/82/168364382.db2.gz WUEGMINSVXKALO-UHFFFAOYSA-N 0 0 233.399 4.832 10 0 BJAERN CCCCCNc1ccccc1-c1ccccc1 ZINC000020550550 168722817 /nfs/dbraw/zinc/72/28/17/168722817.db2.gz SLHWEIUZDKHQLH-UHFFFAOYSA-N 0 0 239.362 4.956 10 0 BJAERN Cc1ccccc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020551058 179306816 /nfs/dbraw/zinc/30/68/16/179306816.db2.gz BKDFQZCALKGWMV-TZMCWYRMSA-N 0 0 231.383 4.622 10 0 BJAERN Cc1ccccc1N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000020551060 179307052 /nfs/dbraw/zinc/30/70/52/179307052.db2.gz BKDFQZCALKGWMV-GXTWGEPZSA-N 0 0 231.383 4.622 10 0 BJAERN Cc1ccccc1N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020551062 179306854 /nfs/dbraw/zinc/30/68/54/179306854.db2.gz BKDFQZCALKGWMV-OCCSQVGLSA-N 0 0 231.383 4.622 10 0 BJAERN Cc1ccccc1N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000020551064 179307087 /nfs/dbraw/zinc/30/70/87/179307087.db2.gz BKDFQZCALKGWMV-JSGCOSHPSA-N 0 0 231.383 4.622 10 0 BJAERN CCc1ccc([C@@H](C)Nc2ccc(F)cc2)cc1 ZINC000020551867 171832567 /nfs/dbraw/zinc/83/25/67/171832567.db2.gz FNSHDCAZLXMBIC-GFCCVEGCSA-N 0 0 243.325 4.561 10 0 BJAERN CC[C@@H](Nc1cccc(C)c1C)c1ccccc1 ZINC000020552350 170916097 /nfs/dbraw/zinc/91/60/97/170916097.db2.gz MIKVWIPBDCLYII-MRXNPFEDSA-N 0 0 239.362 4.867 10 0 BJAERN CCC[C@@H](C)CNc1cccc2ccccc21 ZINC000020553352 169361248 /nfs/dbraw/zinc/36/12/48/169361248.db2.gz RHSKOLLQJIIUSC-CYBMUJFWSA-N 0 0 227.351 4.688 10 0 BJAERN CCC[C@@H](C)CNc1ccc(C(F)(F)F)cc1 ZINC000020553540 169361086 /nfs/dbraw/zinc/36/10/86/169361086.db2.gz KOIQVPYTVIBSTO-SNVBAGLBSA-N 0 0 245.288 4.554 10 0 BJAERN CCC[C@H](C)CNc1ccc(C(F)(F)F)cc1 ZINC000020553541 169483606 /nfs/dbraw/zinc/48/36/06/169483606.db2.gz KOIQVPYTVIBSTO-JTQLQIEISA-N 0 0 245.288 4.554 10 0 BJAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(C(C)(C)C)cc1 ZINC000020554328 176081260 /nfs/dbraw/zinc/08/12/60/176081260.db2.gz ALISYGXQUFNRFS-CJNGLKHVSA-N 0 0 245.410 4.975 10 0 BJAERN C[C@H]1CCCC[C@@H]1Nc1ccc(C(C)(C)C)cc1 ZINC000020554330 177083515 /nfs/dbraw/zinc/08/35/15/177083515.db2.gz ALISYGXQUFNRFS-BBRMVZONSA-N 0 0 245.410 4.975 10 0 BJAERN C[C@@H]1CCCC[C@H]1Nc1ccc(C(C)(C)C)cc1 ZINC000020554332 176089426 /nfs/dbraw/zinc/08/94/26/176089426.db2.gz ALISYGXQUFNRFS-CZUORRHYSA-N 0 0 245.410 4.975 10 0 BJAERN C[C@H]1CCCC[C@H]1Nc1ccc(C(C)(C)C)cc1 ZINC000020554334 177089877 /nfs/dbraw/zinc/08/98/77/177089877.db2.gz ALISYGXQUFNRFS-XJKSGUPXSA-N 0 0 245.410 4.975 10 0 BJAERN Cc1cccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1C ZINC000020556382 179154667 /nfs/dbraw/zinc/15/46/67/179154667.db2.gz QDJRIFQEPJPQPA-IUODEOHRSA-N 0 0 245.410 4.930 10 0 BJAERN Cc1cccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1C ZINC000020556384 179154931 /nfs/dbraw/zinc/15/49/31/179154931.db2.gz QDJRIFQEPJPQPA-SWLSCSKDSA-N 0 0 245.410 4.930 10 0 BJAERN Cc1cccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1C ZINC000020556386 179159575 /nfs/dbraw/zinc/15/95/75/179159575.db2.gz QDJRIFQEPJPQPA-DOMZBBRYSA-N 0 0 245.410 4.930 10 0 BJAERN Cc1cccc(N[C@H]2C[C@H](C)CC(C)(C)C2)c1C ZINC000020556388 179158963 /nfs/dbraw/zinc/15/89/63/179158963.db2.gz QDJRIFQEPJPQPA-WFASDCNBSA-N 0 0 245.410 4.930 10 0 BJAERN CCCCCNc1ccc(Cl)c(Cl)c1 ZINC000020557268 168722813 /nfs/dbraw/zinc/72/28/13/168722813.db2.gz JKEKFPSBEBYGRE-UHFFFAOYSA-N 0 0 232.154 4.596 10 0 BJAERN CCc1ccccc1N[C@H](C)c1ccccc1C ZINC000020557883 171889812 /nfs/dbraw/zinc/88/98/12/171889812.db2.gz QONWFASPOVMDBC-CQSZACIVSA-N 0 0 239.362 4.731 10 0 BJAERN Cc1ccccc1CNc1cccc(Cl)c1C ZINC000020559537 179286127 /nfs/dbraw/zinc/28/61/27/179286127.db2.gz VNJBEUIYMUGEHM-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN Cc1cccc(N[C@H](C)c2cc(C)ccc2C)c1 ZINC000020561609 179156555 /nfs/dbraw/zinc/15/65/55/179156555.db2.gz DTTHDCIXHLDPCS-OAHLLOKOSA-N 0 0 239.362 4.785 10 0 BJAERN Cc1cccc(N[C@@H](C)c2cc(C)ccc2C)c1 ZINC000020561612 179152699 /nfs/dbraw/zinc/15/26/99/179152699.db2.gz DTTHDCIXHLDPCS-HNNXBMFYSA-N 0 0 239.362 4.785 10 0 BJAERN CCC(CC)CNc1cc(Cl)cc(Cl)c1 ZINC000020563598 168364187 /nfs/dbraw/zinc/36/41/87/168364187.db2.gz WRUHDWLYVHDDIQ-UHFFFAOYSA-N 0 0 246.181 4.842 10 0 BJAERN CC(C)C[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000020563766 187418779 /nfs/dbraw/zinc/41/87/79/187418779.db2.gz QRWDVKDCNVGDGR-SNVBAGLBSA-N 0 0 245.288 4.552 10 0 BJAERN CCC(CC)Nc1ccccc1-c1ccccc1 ZINC000020564627 168393949 /nfs/dbraw/zinc/39/39/49/168393949.db2.gz AVHHJRYMYNQUSX-UHFFFAOYSA-N 0 0 239.362 4.954 10 0 BJAERN CCCCc1ccc(N[C@@H](C)CC(C)C)cc1 ZINC000020565446 169022278 /nfs/dbraw/zinc/02/22/78/169022278.db2.gz DGKGILLQKBEISS-AWEZNQCLSA-N 0 0 233.399 4.876 10 0 BJAERN CCCCc1ccc(N[C@H](C)CC(C)C)cc1 ZINC000020565448 169022476 /nfs/dbraw/zinc/02/24/76/169022476.db2.gz DGKGILLQKBEISS-CQSZACIVSA-N 0 0 233.399 4.876 10 0 BJAERN Cc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000020566074 178774648 /nfs/dbraw/zinc/77/46/48/178774648.db2.gz QTFCAJWHONIFHZ-DZGCQCFKSA-N 0 0 231.383 4.622 10 0 BJAERN CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccccc1 ZINC000020566393 188463919 /nfs/dbraw/zinc/46/39/19/188463919.db2.gz NDBXJOIZNNNALU-GJZGRUSLSA-N 0 0 231.383 4.703 10 0 BJAERN CC(C)(C)[C@@H]1CCCC[C@H]1Nc1ccccc1 ZINC000020566395 187254212 /nfs/dbraw/zinc/25/42/12/187254212.db2.gz NDBXJOIZNNNALU-HUUCEWRRSA-N 0 0 231.383 4.703 10 0 BJAERN CCC(CC)CNc1cccc2ccccc21 ZINC000021008486 168366754 /nfs/dbraw/zinc/36/67/54/168366754.db2.gz ARUWVBGEOVEZAO-UHFFFAOYSA-N 0 0 227.351 4.688 10 0 BJAERN CCCCC[C@H](C)Nc1cccc2c1CCCC2 ZINC000021008872 168743598 /nfs/dbraw/zinc/74/35/98/168743598.db2.gz BQEWXELNFLSRNH-AWEZNQCLSA-N 0 0 245.410 4.946 10 0 BJAERN Cc1ccc(CNc2ccccc2Cl)c(C)c1 ZINC000021009499 178640098 /nfs/dbraw/zinc/64/00/98/178640098.db2.gz CHLLBJLXIGBWGN-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN CC1CCC(Nc2cccc3c2CCCC3)CC1 ZINC000021010218 168165470 /nfs/dbraw/zinc/16/54/70/168165470.db2.gz WUGQCKANESSUDB-UHFFFAOYSA-N 0 0 243.394 4.556 10 0 BJAERN CCc1ccccc1N[C@H](CC)c1cccs1 ZINC000021011796 171889507 /nfs/dbraw/zinc/88/95/07/171889507.db2.gz UEOOGSZODWYHLW-CYBMUJFWSA-N 0 0 245.391 4.874 10 0 BJAERN CCc1ccccc1N[C@@H](CC)c1cccs1 ZINC000021011797 171889037 /nfs/dbraw/zinc/88/90/37/171889037.db2.gz UEOOGSZODWYHLW-ZDUSSCGKSA-N 0 0 245.391 4.874 10 0 BJAERN Cc1ccc(CNc2ccc(Cl)cc2)c(C)c1 ZINC000021013123 178638638 /nfs/dbraw/zinc/63/86/38/178638638.db2.gz VPAOWZDFWNLYEH-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN Cc1cccc(CNc2cccc(C(C)C)c2)c1 ZINC000021013523 187254034 /nfs/dbraw/zinc/25/40/34/187254034.db2.gz ZONROKRFTZYHBX-UHFFFAOYSA-N 0 0 239.362 4.731 10 0 BJAERN CCCCCc1ccc(N[C@H](C)C(C)C)cc1 ZINC000021019425 168749097 /nfs/dbraw/zinc/74/90/97/168749097.db2.gz DWAHINSTMWJMRI-CQSZACIVSA-N 0 0 233.399 4.876 10 0 BJAERN Cc1cccc(NC2[C@H](C)CCC[C@@H]2C)c1C ZINC000021020311 188177973 /nfs/dbraw/zinc/17/79/73/188177973.db2.gz ZHROPZIYGQEDAR-OCZCAGDBSA-N 0 0 231.383 4.540 10 0 BJAERN Cc1cccc(NC2[C@@H](C)CCC[C@@H]2C)c1C ZINC000021020317 187253642 /nfs/dbraw/zinc/25/36/42/187253642.db2.gz ZHROPZIYGQEDAR-STQMWFEESA-N 0 0 231.383 4.540 10 0 BJAERN CC[C@@H](Nc1ccccc1C)c1cccs1 ZINC000021027475 259418951 /nfs/dbraw/zinc/41/89/51/259418951.db2.gz CPFIBIUOYOMLJA-GFCCVEGCSA-N 0 0 231.364 4.620 10 0 BJAERN CC[C@H](Nc1ccccc1C)c1cccs1 ZINC000021027484 259419054 /nfs/dbraw/zinc/41/90/54/259419054.db2.gz CPFIBIUOYOMLJA-LBPRGKRZSA-N 0 0 231.364 4.620 10 0 BJAERN CC(C)CC[C@@H](C)Nc1cccc2c1CCCC2 ZINC000021030096 166894338 /nfs/dbraw/zinc/89/43/38/166894338.db2.gz GCPICVSJFPAOET-CQSZACIVSA-N 0 0 245.410 4.802 10 0 BJAERN CCCCC[C@H](C)Nc1ccc2c(c1)CCC2 ZINC000021032433 517557570 /nfs/dbraw/zinc/55/75/70/517557570.db2.gz VUONIABVDUSBQK-ZDUSSCGKSA-N 0 0 231.383 4.556 10 0 BJAERN Cc1cccc(N[C@H](C)c2ccccc2C)c1C ZINC000021034796 179322486 /nfs/dbraw/zinc/32/24/86/179322486.db2.gz SLRCSEZXMNEZND-OAHLLOKOSA-N 0 0 239.362 4.785 10 0 BJAERN Cc1cccc(N[C@@H](C)c2ccccc2C)c1C ZINC000021034803 179341093 /nfs/dbraw/zinc/34/10/93/179341093.db2.gz SLRCSEZXMNEZND-HNNXBMFYSA-N 0 0 239.362 4.785 10 0 BJAERN Cc1cccc(NC[C@H](C)c2ccccc2)c1C ZINC000021035568 179147882 /nfs/dbraw/zinc/14/78/82/179147882.db2.gz FHYPLXBISCIWFW-AWEZNQCLSA-N 0 0 239.362 4.519 10 0 BJAERN Cc1cccc(NC[C@@H](C)c2ccccc2)c1C ZINC000021035574 179147393 /nfs/dbraw/zinc/14/73/93/179147393.db2.gz FHYPLXBISCIWFW-CQSZACIVSA-N 0 0 239.362 4.519 10 0 BJAERN Cc1cc(Cl)ccc1N[C@H](C)c1ccccc1 ZINC000021048722 178068529 /nfs/dbraw/zinc/06/85/29/178068529.db2.gz OWNCYOCMPRBHKC-GFCCVEGCSA-N 0 0 245.753 4.822 10 0 BJAERN Cc1cc(Cl)ccc1N[C@@H](C)c1ccccc1 ZINC000021048727 178068713 /nfs/dbraw/zinc/06/87/13/178068713.db2.gz OWNCYOCMPRBHKC-LBPRGKRZSA-N 0 0 245.753 4.822 10 0 BJAERN CCC(CC)CNc1cc(Cl)ccc1Cl ZINC000021049691 168365113 /nfs/dbraw/zinc/36/51/13/168365113.db2.gz WKPNFGLNQHWTHU-UHFFFAOYSA-N 0 0 246.181 4.842 10 0 BJAERN Cc1ccc(CNc2ccc(C(C)C)cc2)s1 ZINC000021050662 178636543 /nfs/dbraw/zinc/63/65/43/178636543.db2.gz UBSYBVVDAQJECJ-UHFFFAOYSA-N 0 0 245.391 4.792 10 0 BJAERN CCC[C@@H](C)CNc1ccc(C(C)C)cc1 ZINC000021052602 169361201 /nfs/dbraw/zinc/36/12/01/169361201.db2.gz AXDPILFIZDLQBH-CYBMUJFWSA-N 0 0 219.372 4.658 10 0 BJAERN CC[C@H](C[C@@H](C)CC)Nc1cc(F)ccc1F ZINC000021055811 171296131 /nfs/dbraw/zinc/29/61/31/171296131.db2.gz LLACCLMPKORUGF-CMPLNLGQSA-N 0 0 241.325 4.592 10 0 BJAERN CC[C@H](C)C[C@H](CC)Nc1cc(F)ccc1F ZINC000021055820 171299106 /nfs/dbraw/zinc/29/91/06/171299106.db2.gz LLACCLMPKORUGF-JQWIXIFHSA-N 0 0 241.325 4.592 10 0 BJAERN CC[C@@H](Nc1cc(C)cc(C)c1)c1cccs1 ZINC000021059340 170914979 /nfs/dbraw/zinc/91/49/79/170914979.db2.gz QBWPIQCXNLDXEE-CQSZACIVSA-N 0 0 245.391 4.928 10 0 BJAERN CCC[C@@H](C)CNc1cccc(C(F)(F)F)c1 ZINC000021059608 169360995 /nfs/dbraw/zinc/36/09/95/169360995.db2.gz RAAIIRZAMATBIU-SNVBAGLBSA-N 0 0 245.288 4.554 10 0 BJAERN CCC[C@H](C)CNc1cccc(C(F)(F)F)c1 ZINC000021059612 169483631 /nfs/dbraw/zinc/48/36/31/169483631.db2.gz RAAIIRZAMATBIU-JTQLQIEISA-N 0 0 245.288 4.554 10 0 BJAERN C[C@@H](Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000021060689 175933927 /nfs/dbraw/zinc/93/39/27/175933927.db2.gz DMMHAIXPOIVRNS-SNVBAGLBSA-N 0 0 249.716 4.652 10 0 BJAERN C[C@H](Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000021060693 176936424 /nfs/dbraw/zinc/93/64/24/176936424.db2.gz DMMHAIXPOIVRNS-JTQLQIEISA-N 0 0 249.716 4.652 10 0 BJAERN CCCCC[C@H](C)Nc1ccc2[nH]ccc2c1 ZINC000021062818 168744388 /nfs/dbraw/zinc/74/43/88/168744388.db2.gz VXDKCIPNGDMMGK-LBPRGKRZSA-N 0 0 230.355 4.549 10 0 BJAERN CC(C)(C)c1ccc(NCC2CCCCC2)cc1 ZINC000021500397 187253608 /nfs/dbraw/zinc/25/36/08/187253608.db2.gz XLKBJAGEDLVUOM-UHFFFAOYSA-N 0 0 245.410 4.976 10 0 BJAERN C[C@H](CNc1ccc(Cl)cc1)c1ccccc1 ZINC000021501148 176686591 /nfs/dbraw/zinc/68/65/91/176686591.db2.gz SQAKPCXHTFVZJX-GFCCVEGCSA-N 0 0 245.753 4.556 10 0 BJAERN Cc1ccccc1CNc1ccc(Cl)cc1C ZINC000021501228 179285388 /nfs/dbraw/zinc/28/53/88/179285388.db2.gz JDZSMBIZABFWDR-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN CCC[C@@H](C)CNc1ccccc1C(C)C ZINC000021503329 169361600 /nfs/dbraw/zinc/36/16/00/169361600.db2.gz KUKAFCBMYNIRBN-CYBMUJFWSA-N 0 0 219.372 4.658 10 0 BJAERN Cc1ccc(CNc2cccc(C(C)C)c2)cc1 ZINC000021504939 178637813 /nfs/dbraw/zinc/63/78/13/178637813.db2.gz CBFZBUHCYCSUAF-UHFFFAOYSA-N 0 0 239.362 4.731 10 0 BJAERN Cc1ccc(F)cc1N[C@H](C)c1ccccc1C ZINC000021505944 178692138 /nfs/dbraw/zinc/69/21/38/178692138.db2.gz BNOGXGOEEJSBKE-CYBMUJFWSA-N 0 0 243.325 4.616 10 0 BJAERN Cc1ccc(F)cc1N[C@@H](C)c1ccccc1C ZINC000021505946 178690536 /nfs/dbraw/zinc/69/05/36/178690536.db2.gz BNOGXGOEEJSBKE-ZDUSSCGKSA-N 0 0 243.325 4.616 10 0 BJAERN CSc1cccc(NC2CCCCCCC2)c1 ZINC000021506620 175580386 /nfs/dbraw/zinc/58/03/86/175580386.db2.gz GWOAKUHFKBHPQH-UHFFFAOYSA-N 0 0 249.423 4.933 10 0 BJAERN CCCCCNc1ccc(CCCC)cc1 ZINC000021507657 168721957 /nfs/dbraw/zinc/72/19/57/168721957.db2.gz MGDSXBVFPUKFNO-UHFFFAOYSA-N 0 0 219.372 4.631 10 0 BJAERN Cc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1F ZINC000021507741 178773609 /nfs/dbraw/zinc/77/36/09/178773609.db2.gz USSGVAHMMFDHNN-SMDDNHRTSA-N 0 0 249.373 4.761 10 0 BJAERN Cc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)cc1F ZINC000021507744 178779553 /nfs/dbraw/zinc/77/95/53/178779553.db2.gz USSGVAHMMFDHNN-FZMZJTMJSA-N 0 0 249.373 4.761 10 0 BJAERN CCCCCNc1cc(Cl)cc(Cl)c1 ZINC000021507758 168720983 /nfs/dbraw/zinc/72/09/83/168720983.db2.gz UMSPGONHPKPZQL-UHFFFAOYSA-N 0 0 232.154 4.596 10 0 BJAERN CC1CCC(Nc2cccc3ccccc32)CC1 ZINC000021507898 168165732 /nfs/dbraw/zinc/16/57/32/168165732.db2.gz CBWDXVDQYUCVJR-UHFFFAOYSA-N 0 0 239.362 4.830 10 0 BJAERN COc1ccccc1NC(CC(C)C)CC(C)C ZINC000021509133 175336508 /nfs/dbraw/zinc/33/65/08/175336508.db2.gz PUFFZLHMVSZENQ-UHFFFAOYSA-N 0 0 249.398 4.568 10 0 BJAERN CC[C@@H](C)c1ccccc1Oc1ccccc1N ZINC000021512624 170805615 /nfs/dbraw/zinc/80/56/15/170805615.db2.gz HYWVPIWXQHQLAT-GFCCVEGCSA-N 0 0 241.334 4.575 10 0 BJAERN CC[C@H](C)c1ccccc1Oc1ccccc1N ZINC000021512626 171413545 /nfs/dbraw/zinc/41/35/45/171413545.db2.gz HYWVPIWXQHQLAT-LBPRGKRZSA-N 0 0 241.334 4.575 10 0 BJAERN CCOc1ccccc1N[C@@H](CC)C[C@@H](C)CC ZINC000021513296 170595894 /nfs/dbraw/zinc/59/58/94/170595894.db2.gz CHLUXHCBCMOMIE-KBPBESRZSA-N 0 0 249.398 4.712 10 0 BJAERN Cc1ccccc1NC(CC(C)C)CC(C)C ZINC000021515878 179303824 /nfs/dbraw/zinc/30/38/24/179303824.db2.gz QELOEPZNJYTALF-UHFFFAOYSA-N 0 0 233.399 4.868 10 0 BJAERN CCc1ccccc1N[C@H](C)c1cccc(F)c1 ZINC000021516372 171889217 /nfs/dbraw/zinc/88/92/17/171889217.db2.gz FOGMEWRZTSYWRA-GFCCVEGCSA-N 0 0 243.325 4.561 10 0 BJAERN CCC(CC)CNc1ccc(C(F)(F)F)cc1 ZINC000021518260 168364352 /nfs/dbraw/zinc/36/43/52/168364352.db2.gz WMQLHOZZOOCHKY-UHFFFAOYSA-N 0 0 245.288 4.554 10 0 BJAERN Cc1ccccc1[C@@H](C)Nc1ccc(Cl)cc1 ZINC000021518268 179322722 /nfs/dbraw/zinc/32/27/22/179322722.db2.gz ARSHOARKRQOGHB-GFCCVEGCSA-N 0 0 245.753 4.822 10 0 BJAERN Cc1ccccc1[C@H](C)Nc1ccc(Cl)cc1 ZINC000021518269 179340142 /nfs/dbraw/zinc/34/01/42/179340142.db2.gz ARSHOARKRQOGHB-LBPRGKRZSA-N 0 0 245.753 4.822 10 0 BJAERN CCC(CC)CNc1cccc(C(F)(F)F)c1 ZINC000021518677 168365829 /nfs/dbraw/zinc/36/58/29/168365829.db2.gz RDRDXDABRVMDHD-UHFFFAOYSA-N 0 0 245.288 4.554 10 0 BJAERN CCC[C@@H](C)CNc1cc(Cl)ccc1Cl ZINC000021519032 169360630 /nfs/dbraw/zinc/36/06/30/169360630.db2.gz HCJOAFWTYKBEMJ-SECBINFHSA-N 0 0 246.181 4.842 10 0 BJAERN CCCCc1ccc(NCC(CC)CC)cc1 ZINC000021519571 169022261 /nfs/dbraw/zinc/02/22/61/169022261.db2.gz YOBHTRBXJIUUAH-UHFFFAOYSA-N 0 0 233.399 4.877 10 0 BJAERN CCc1cccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000021519854 171865206 /nfs/dbraw/zinc/86/52/06/171865206.db2.gz FSXNHVJPSDVGQZ-CJNGLKHVSA-N 0 0 245.410 4.876 10 0 BJAERN CCc1cccc(N[C@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000021519856 171865242 /nfs/dbraw/zinc/86/52/42/171865242.db2.gz FSXNHVJPSDVGQZ-BBRMVZONSA-N 0 0 245.410 4.876 10 0 BJAERN C[C@@H]1CCC[C@@H](Nc2cccc3ccccc32)C1 ZINC000021520476 176124135 /nfs/dbraw/zinc/12/41/35/176124135.db2.gz NIWPQSGSJKBLQK-UKRRQHHQSA-N 0 0 239.362 4.830 10 0 BJAERN C[C@@H]1CCC[C@H](Nc2cccc3ccccc32)C1 ZINC000021520478 176145177 /nfs/dbraw/zinc/14/51/77/176145177.db2.gz NIWPQSGSJKBLQK-HIFRSBDPSA-N 0 0 239.362 4.830 10 0 BJAERN C[C@H]1CCC[C@H](Nc2cccc3ccccc32)C1 ZINC000021520479 177138089 /nfs/dbraw/zinc/13/80/89/177138089.db2.gz NIWPQSGSJKBLQK-ZFWWWQNUSA-N 0 0 239.362 4.830 10 0 BJAERN CCCCc1ccc(NCc2ccccc2)cc1 ZINC000021520921 169021732 /nfs/dbraw/zinc/02/17/32/169021732.db2.gz OETNXCSXMXNJLT-UHFFFAOYSA-N 0 0 239.362 4.641 10 0 BJAERN C[C@@H](Nc1cccc(Cl)c1)c1cccc(F)c1 ZINC000021521125 175933132 /nfs/dbraw/zinc/93/31/32/175933132.db2.gz VZHSITWDUNIKKA-SNVBAGLBSA-N 0 0 249.716 4.652 10 0 BJAERN CCCCc1ccc(NCc2ccsc2)cc1 ZINC000021787368 169022265 /nfs/dbraw/zinc/02/22/65/169022265.db2.gz KKKLWBNOMZUIBI-UHFFFAOYSA-N 0 0 245.391 4.703 10 0 BJAERN CCCCc1ccc(NCc2cccs2)cc1 ZINC000021794116 169021573 /nfs/dbraw/zinc/02/15/73/169021573.db2.gz YEBLUMXBTMCCED-UHFFFAOYSA-N 0 0 245.391 4.703 10 0 BJAERN CCCCc1ccc(NC[C@@H](C)CCC)cc1 ZINC000021795718 169021786 /nfs/dbraw/zinc/02/17/86/169021786.db2.gz PQTJBKFMPBWCQB-AWEZNQCLSA-N 0 0 233.399 4.877 10 0 BJAERN CCCCc1ccc(NC[C@H](C)CCC)cc1 ZINC000021795721 169021790 /nfs/dbraw/zinc/02/17/90/169021790.db2.gz PQTJBKFMPBWCQB-CQSZACIVSA-N 0 0 233.399 4.877 10 0 BJAERN c1cc2cc(NC3CCCCCCC3)ccc2[nH]1 ZINC000021796027 183375083 /nfs/dbraw/zinc/37/50/83/183375083.db2.gz LUHSQIAFEVCZEC-UHFFFAOYSA-N 0 0 242.366 4.693 10 0 BJAERN CCC(CC)CNc1ccccc1C(C)C ZINC000021799447 168365787 /nfs/dbraw/zinc/36/57/87/168365787.db2.gz HIIGERDVOWCWOS-UHFFFAOYSA-N 0 0 219.372 4.658 10 0 BJAERN CCc1ccc(N[C@H](C)c2ccc(C)cc2)cc1 ZINC000021800142 171822041 /nfs/dbraw/zinc/82/20/41/171822041.db2.gz LFPNZLFOCWLDSG-CQSZACIVSA-N 0 0 239.362 4.731 10 0 BJAERN Cc1ccccc1NCc1ccc(C(C)C)cc1 ZINC000021801819 179305602 /nfs/dbraw/zinc/30/56/02/179305602.db2.gz VRTDFWPMCFUPKM-UHFFFAOYSA-N 0 0 239.362 4.731 10 0 BJAERN CC(C)c1ccc(NCC2CCCCC2)cc1 ZINC000021802835 167604019 /nfs/dbraw/zinc/60/40/19/167604019.db2.gz XPCKXXOZXYXAPR-UHFFFAOYSA-N 0 0 231.383 4.802 10 0 BJAERN Cc1ccc(NC[C@H](C)c2ccccc2)c(C)c1 ZINC000021810826 178760992 /nfs/dbraw/zinc/76/09/92/178760992.db2.gz COMJPEJAENETEO-HNNXBMFYSA-N 0 0 239.362 4.519 10 0 BJAERN CC[C@@H](C)Nc1ccc2oc3ccccc3c2c1 ZINC000021811864 170760008 /nfs/dbraw/zinc/76/00/08/170760008.db2.gz VTYAFCRJHAGNCD-LLVKDONJSA-N 0 0 239.318 4.796 10 0 BJAERN CC[C@H](C)Nc1ccc2oc3ccccc3c2c1 ZINC000021811866 171350297 /nfs/dbraw/zinc/35/02/97/171350297.db2.gz VTYAFCRJHAGNCD-NSHDSACASA-N 0 0 239.318 4.796 10 0 BJAERN CCC(CC)CNc1ccc(Cl)c(Cl)c1 ZINC000021819985 168364986 /nfs/dbraw/zinc/36/49/86/168364986.db2.gz PDSAJTYBBVJLIQ-UHFFFAOYSA-N 0 0 246.181 4.842 10 0 BJAERN Clc1ccc2coc(-c3ccccc3)c2c1 ZINC000021992399 180588730 /nfs/dbraw/zinc/58/87/30/180588730.db2.gz VSHCEGXJJIQXQI-UHFFFAOYSA-N 0 0 228.678 4.753 10 0 BJAERN Fc1ccc(Nc2cccc3ccccc32)cc1 ZINC000021997043 343032694 /nfs/dbraw/zinc/03/26/94/343032694.db2.gz LJSMFQJNLMAWMB-UHFFFAOYSA-N 0 0 237.277 4.723 10 0 BJAERN CC(C)(C)c1ccccc1Nc1ccccc1 ZINC000021999265 187420057 /nfs/dbraw/zinc/42/00/57/187420057.db2.gz HJPHEOBMEWPPJD-UHFFFAOYSA-N 0 0 225.335 4.728 10 0 BJAERN c1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000021999362 188109278 /nfs/dbraw/zinc/10/92/78/188109278.db2.gz IYDAQAZENRCVOL-UHFFFAOYSA-N 0 0 220.271 4.632 10 0 BJAERN c1c2ccccc2[nH]c1CCCCc1ccccc1 ZINC000022001095 384723226 /nfs/dbraw/zinc/72/32/26/384723226.db2.gz OUFWRIBUVYRSQW-UHFFFAOYSA-N 0 0 249.357 4.733 10 0 BJAERN Cc1cc([C@@H](C)c2ccccc2)c(C)s1 ZINC000022002764 178234640 /nfs/dbraw/zinc/23/46/40/178234640.db2.gz HAKWRCGISWNTDX-NSHDSACASA-N 0 0 216.349 4.517 10 0 BJAERN Cc1cc([C@H](C)c2ccccc2)c(C)s1 ZINC000022002770 178259296 /nfs/dbraw/zinc/25/92/96/178259296.db2.gz HAKWRCGISWNTDX-LLVKDONJSA-N 0 0 216.349 4.517 10 0 BJAERN Cc1ccc([C@@H](C)Nc2ccccc2F)cc1C ZINC000022152464 178851613 /nfs/dbraw/zinc/85/16/13/178851613.db2.gz FJNIBDRGCYAOPY-CYBMUJFWSA-N 0 0 243.325 4.616 10 0 BJAERN CC(C)CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000025500570 351021850 /nfs/dbraw/zinc/02/18/50/351021850.db2.gz TUFODDVCJSNPRW-UHFFFAOYSA-N 0 0 238.330 4.582 10 0 BJAERN CCc1cccc2c1Sc1ccccc1O2 ZINC000026184559 171869394 /nfs/dbraw/zinc/86/93/94/171869394.db2.gz PJLJUHYRWZCAJT-UHFFFAOYSA-N 0 0 228.316 4.506 10 0 BJAERN C[C@@H](c1ccccc1)c1ccc2ccccc2c1O ZINC000027197923 176023624 /nfs/dbraw/zinc/02/36/24/176023624.db2.gz FCCNKTOSNRDETA-ZDUSSCGKSA-N 0 0 248.325 4.697 10 0 BJAERN C[C@H](c1ccccc1)c1ccc2ccccc2c1O ZINC000027197926 344234111 /nfs/dbraw/zinc/23/41/11/344234111.db2.gz FCCNKTOSNRDETA-CYBMUJFWSA-N 0 0 248.325 4.697 10 0 BJAERN C=Cc1ccc(Oc2ccc(C=C)cc2)cc1 ZINC000027836495 192057774 /nfs/dbraw/zinc/05/77/74/192057774.db2.gz NYINVZSHVMSTDP-UHFFFAOYSA-N 0 0 222.287 4.765 10 0 BJAERN CNc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000028002124 384279272 /nfs/dbraw/zinc/27/92/72/384279272.db2.gz IWWZBTSJBOABRW-UHFFFAOYSA-N 0 0 249.766 4.533 10 0 BJAERN C(=C/c1ccc2ccccc2c1)\c1ccco1 ZINC000028112396 187255908 /nfs/dbraw/zinc/25/59/08/187255908.db2.gz HUHZDWIFNQWKDZ-CSKARUKUSA-N 0 0 220.271 4.603 10 0 BJAERN C(=C/c1ccc2ccccc2c1)\c1ccoc1 ZINC000028112402 166226557 /nfs/dbraw/zinc/22/65/57/166226557.db2.gz LXJTYFVBONXUKU-AATRIKPKSA-N 0 0 220.271 4.603 10 0 BJAERN C(=C\c1ccc2ccccc2c1)\c1ccco1 ZINC000028113151 166228381 /nfs/dbraw/zinc/22/83/81/166228381.db2.gz HUHZDWIFNQWKDZ-NTMALXAHSA-N 0 0 220.271 4.603 10 0 BJAERN C(=C\c1ccc2ccccc2c1)\c1ccoc1 ZINC000028113157 166227531 /nfs/dbraw/zinc/22/75/31/166227531.db2.gz LXJTYFVBONXUKU-WAYWQWQTSA-N 0 0 220.271 4.603 10 0 BJAERN Cc1c(-c2ccc(Cl)cc2)cc2ccccn12 ZINC000028114437 371570240 /nfs/dbraw/zinc/57/02/40/371570240.db2.gz ZBJYQFQPFLGNQD-UHFFFAOYSA-N 0 0 241.721 4.568 10 0 BJAERN Oc1ccc(/C=C/c2ccc3ccccc3c2)cc1 ZINC000028115058 183266311 /nfs/dbraw/zinc/26/63/11/183266311.db2.gz PZFXCZNGKMGDQQ-AATRIKPKSA-N 0 0 246.309 4.716 10 0 BJAERN CCCC[C@@H](C)c1cccc(CCC)c1O ZINC000028767159 344414646 /nfs/dbraw/zinc/41/46/46/344414646.db2.gz VJUXDCFFTWHCAS-GFCCVEGCSA-N 0 0 220.356 4.638 10 0 BJAERN CCCC[C@H](C)c1cccc(CCC)c1O ZINC000028767161 344414710 /nfs/dbraw/zinc/41/47/10/344414710.db2.gz VJUXDCFFTWHCAS-LBPRGKRZSA-N 0 0 220.356 4.638 10 0 BJAERN CC(C)c1cccc(C2CCCCC2)c1O ZINC000028767571 350363262 /nfs/dbraw/zinc/36/32/62/350363262.db2.gz IUNQUUWKHLZGMW-UHFFFAOYSA-N 0 0 218.340 4.563 10 0 BJAERN CCCC[C@@H](C)c1cccc(C(C)C)c1O ZINC000028767573 344414723 /nfs/dbraw/zinc/41/47/23/344414723.db2.gz LFZKOLOIDMPGAH-GFCCVEGCSA-N 0 0 220.356 4.809 10 0 BJAERN CCCC[C@H](C)c1cccc(C(C)C)c1O ZINC000028767574 344414615 /nfs/dbraw/zinc/41/46/15/344414615.db2.gz LFZKOLOIDMPGAH-LBPRGKRZSA-N 0 0 220.356 4.809 10 0 BJAERN CCSC(=O)OC/C=C(\C)CCC=C(C)C ZINC000029327703 344563383 /nfs/dbraw/zinc/56/33/83/344563383.db2.gz OKKPRCUDQNVFPN-FMIVXFBMSA-N 0 0 242.384 4.569 10 0 BJAERN c1cc2c(s1)SCc1c3ccccc3[nH]c1-2 ZINC000029469782 383965650 /nfs/dbraw/zinc/96/56/50/383965650.db2.gz WRZGPZGAXXPZSR-UHFFFAOYSA-N 0 0 243.356 4.502 10 0 BJAERN Cc1ccc(/C=C/c2cc(C)c(O)c(C)c2)s1 ZINC000029553806 344672779 /nfs/dbraw/zinc/67/27/79/344672779.db2.gz VHQWMWQUBBOXMD-FNORWQNLSA-N 0 0 244.359 4.549 10 0 BJAERN CC1=C2CC[C@H](C)[C@]23CC[C@@H](C3)C1(C)C ZINC000030730502 356691306 /nfs/dbraw/zinc/69/13/06/356691306.db2.gz CYLSPJUZBPWJGC-ITDIGPHOSA-N 0 0 204.357 4.559 10 0 in-vitro BJAERN CC1=C[C@@H]2[C@@H](CC1)C(C)=CC[C@H]2C(C)C ZINC000030731547 168132055 /nfs/dbraw/zinc/13/20/55/168132055.db2.gz QMAYBMKBYCGXDH-KKUMJFAQSA-N 0 0 204.357 4.581 10 0 endogenous,in-man BJAERN CC(C)(C)c1ccc([C@H](O)C2CCCCC2)cc1 ZINC000032102649 187938414 /nfs/dbraw/zinc/93/84/14/187938414.db2.gz UZCBDRPTFMYSIV-MRXNPFEDSA-N 0 0 246.394 4.598 10 0 BJAERN Cc1c2ccccc2sc1-c1ccccc1 ZINC000032254395 187256851 /nfs/dbraw/zinc/25/68/51/187256851.db2.gz BYLWUDAFLSDOJE-UHFFFAOYSA-N 0 0 224.328 4.877 10 0 BJAERN Clc1ccc2c(c1)C=Cc1ccccc1N2 ZINC000032255201 345760278 /nfs/dbraw/zinc/76/02/78/345760278.db2.gz QPRQZWBSIQIICW-UHFFFAOYSA-N 0 0 227.694 4.567 10 0 BJAERN Clc1ccc2occ(-c3ccccc3)c2c1 ZINC000032255378 345760636 /nfs/dbraw/zinc/76/06/36/345760636.db2.gz GECCZYCFHPGTQF-UHFFFAOYSA-N 0 0 228.678 4.753 10 0 BJAERN Clc1ccc(-c2cccs2)c(Cl)c1 ZINC000032255451 345760540 /nfs/dbraw/zinc/76/05/40/345760540.db2.gz QURPTMRXOYHYSZ-UHFFFAOYSA-N 0 0 229.131 4.722 10 0 BJAERN Cc1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000032264255 177511619 /nfs/dbraw/zinc/51/16/19/177511619.db2.gz NACPCLSBDWPXNV-UHFFFAOYSA-N 0 0 241.721 4.797 10 0 BJAERN O=C(c1ccc2ccccc2c1)C1CCCCC1 ZINC000032299679 354380777 /nfs/dbraw/zinc/38/07/77/354380777.db2.gz LOEOFOCNNLIMMY-UHFFFAOYSA-N 0 0 238.330 4.603 10 0 BJAERN Cc1coc2cc3oc(=S)c(C)c(C)c3cc12 ZINC000032500146 134601124 /nfs/dbraw/zinc/60/11/24/134601124.db2.gz OLEOOLZHRUHLQS-UHFFFAOYSA-N 0 0 244.315 4.834 10 0 BJAERN Cc1cccc2c(C)cc(SCC(C)C)nc12 ZINC000032535807 178218581 /nfs/dbraw/zinc/21/85/81/178218581.db2.gz ULYSGICCVZUJAE-UHFFFAOYSA-N 0 0 245.391 4.600 10 0 BJAERN CCC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1 ZINC000033466485 168254282 /nfs/dbraw/zinc/25/42/82/168254282.db2.gz LXCYFZCAGHPSKF-UHFFFAOYSA-N 0 0 238.330 4.563 10 0 BJAERN CCC(=O)c1ccc(-c2cc(C)ccc2C)cc1 ZINC000033466486 168254736 /nfs/dbraw/zinc/25/47/36/168254736.db2.gz QSABIKBZOMLKTP-UHFFFAOYSA-N 0 0 238.330 4.563 10 0 BJAERN Cc1cc(C)c(NCc2ccccc2C)c(C)c1 ZINC000033468780 177866973 /nfs/dbraw/zinc/86/69/73/177866973.db2.gz XAMRCYXMUCOJAI-UHFFFAOYSA-N 0 0 239.362 4.532 10 0 BJAERN Cc1cccc(CNc2c(C)cc(C)cc2C)c1 ZINC000033468782 187256254 /nfs/dbraw/zinc/25/62/54/187256254.db2.gz WOJNXHUBPFRYHU-UHFFFAOYSA-N 0 0 239.362 4.532 10 0 BJAERN CCC(=O)CCC[C@@H](C)CCC=C(C)C ZINC000033506457 168201090 /nfs/dbraw/zinc/20/10/90/168201090.db2.gz BHIKFSYWWLGMRR-ZDUSSCGKSA-N 0 0 210.361 4.518 10 0 BJAERN CCC(=O)CCC[C@H](C)CCC=C(C)C ZINC000033506458 168199679 /nfs/dbraw/zinc/19/96/79/168199679.db2.gz BHIKFSYWWLGMRR-CYBMUJFWSA-N 0 0 210.361 4.518 10 0 BJAERN CC(C)c1cc(C(C)C)c(C(C)C)cc1O ZINC000033604970 398012955 /nfs/dbraw/zinc/01/29/55/398012955.db2.gz MMALDENJQINSHY-UHFFFAOYSA-N 0 0 220.356 4.762 10 0 BJAERN CCCCc1cc(CC)c(O)c(CCCC)c1 ZINC000033606171 169017731 /nfs/dbraw/zinc/01/77/31/169017731.db2.gz DEOKRBNRSCUFEP-UHFFFAOYSA-N 0 0 234.383 4.640 10 0 BJAERN CCCC/C=C\CCCCCCCCOC=O ZINC000033842283 343262175 /nfs/dbraw/zinc/26/21/75/343262175.db2.gz MAOWSVNIDSZOBR-WAYWQWQTSA-N 0 0 240.387 4.637 10 0 BJAERN CC(=O)[C@@H]1CC/C(C)=C\CC/C(C)=C\C/C=C/1C ZINC000033953789 385271325 /nfs/dbraw/zinc/27/13/25/385271325.db2.gz QWAUHUKNKGMBBD-AFZARZSHSA-N 0 0 246.394 4.995 10 0 BJAERN CCCCC/C=C\C/C=C\CCCC(C)=O ZINC000033954944 187257206 /nfs/dbraw/zinc/25/72/06/187257206.db2.gz PBWOSGBKOJCBNQ-NQLNTKRDSA-N 0 0 222.372 4.829 10 0 BJAERN CC(=O)c1ccc(-c2ccc3ccccc3c2)cc1 ZINC000033994687 166451136 /nfs/dbraw/zinc/45/11/36/166451136.db2.gz WUFGPTBHFNBBEG-UHFFFAOYSA-N 0 0 246.309 4.709 10 0 BJAERN c1c2ccccc2[nH]c1-c1cc2ccccc2o1 ZINC000034062815 345813189 /nfs/dbraw/zinc/81/31/89/345813189.db2.gz ZIMOURYOOIPWBS-UHFFFAOYSA-N 0 0 233.270 4.581 10 0 BJAERN c1ccc(-c2cccc3c4ccccc4[nH]c32)cc1 ZINC000034071154 183380738 /nfs/dbraw/zinc/38/07/38/183380738.db2.gz FBTOLQFRGURPJH-UHFFFAOYSA-N 0 0 243.309 4.988 10 0 BJAERN CC(=O)[C@@H]1CC/C(C)=C/CC/C(C)=C/C/C=C/1C ZINC000034095941 187257382 /nfs/dbraw/zinc/25/73/82/187257382.db2.gz QWAUHUKNKGMBBD-OJEZGQIRSA-N 0 0 246.394 4.995 10 0 BJAERN COc1ccc(-c2cccc3sccc32)cc1 ZINC000034111742 175034899 /nfs/dbraw/zinc/03/48/99/175034899.db2.gz AGFAPCMMDPGWSG-UHFFFAOYSA-N 0 0 240.327 4.577 10 0 BJAERN Clc1ccccc1Oc1ccccc1Cl ZINC000034112289 180596369 /nfs/dbraw/zinc/59/63/69/180596369.db2.gz MFJMZOUFSWSBNV-UHFFFAOYSA-N 0 0 239.101 4.786 10 0 BJAERN C/C=C/CCc1c(C)cc2c(C)coc2c1OC ZINC000034118091 188098851 /nfs/dbraw/zinc/09/88/51/188098851.db2.gz XQCXEGXEIQGTSU-AATRIKPKSA-N 0 0 244.334 4.567 10 0 BJAERN CC(C)=CCC/C(C)=C/CC[C@H](C)C(=O)Cl ZINC000034182564 345819059 /nfs/dbraw/zinc/81/90/59/345819059.db2.gz LTAGEVIQFLLGNO-SRXBQZRASA-N 0 0 242.790 4.861 10 0 BJAERN CC(C)=CCC/C(C)=C/CC[C@@H](C)C(=O)Cl ZINC000034182566 345819019 /nfs/dbraw/zinc/81/90/19/345819019.db2.gz LTAGEVIQFLLGNO-CNELAYHGSA-N 0 0 242.790 4.861 10 0 BJAERN Cc1ccc(C)c(-c2nc3ccccc3s2)c1 ZINC000034283373 387042174 /nfs/dbraw/zinc/04/21/74/387042174.db2.gz RUKDAISPPZINMU-UHFFFAOYSA-N 0 0 239.343 4.580 10 0 BJAERN c1cc2c(cccc2-c2ccccc2)s1 ZINC000034288294 183380669 /nfs/dbraw/zinc/38/06/69/183380669.db2.gz NJCJOKLCLFCCON-UHFFFAOYSA-N 0 0 210.301 4.568 10 0 BJAERN CCCCCc1csc2cc(OC)ccc12 ZINC000034354667 345822221 /nfs/dbraw/zinc/82/22/21/345822221.db2.gz DJKXUVNVESIABR-UHFFFAOYSA-N 0 0 234.364 4.643 10 0 BJAERN CC(C)c1cc(C(C)C)c(CO)c(C(C)C)c1 ZINC000034416919 345828659 /nfs/dbraw/zinc/82/86/59/345828659.db2.gz DUIWWQGOQRQCRS-UHFFFAOYSA-N 0 0 234.383 4.549 10 0 BJAERN CSc1ccc(C(=O)CC2CCCCC2)cc1 ZINC000034429098 343270644 /nfs/dbraw/zinc/27/06/44/343270644.db2.gz MMIYHJIHRPXYTM-UHFFFAOYSA-N 0 0 248.391 4.562 10 0 BJAERN CC1=Cc2sc(C)c(-c3ccccc3)c2C1 ZINC000034444917 168132772 /nfs/dbraw/zinc/13/27/72/168132772.db2.gz KEUCVFWXEBYDEZ-UHFFFAOYSA-N 0 0 226.344 4.683 10 0 BJAERN Cc1ccc2c(c1)SC(C)(C)CC2(C)C ZINC000034482449 345835265 /nfs/dbraw/zinc/83/52/65/345835265.db2.gz BESMVLJWMSUOEP-UHFFFAOYSA-N 0 0 220.381 4.547 10 0 BJAERN CC(C)(C)c1cccc2c1SCCC2(C)C ZINC000034483276 345835208 /nfs/dbraw/zinc/83/52/08/345835208.db2.gz LQEGMZLHQUOLGO-UHFFFAOYSA-N 0 0 234.408 4.758 10 0 BJAERN CSc1ccc(Sc2ccccc2)cc1 ZINC000034506355 582489744 /nfs/dbraw/zinc/48/97/44/582489744.db2.gz SAOJDDYWGYSVTO-UHFFFAOYSA-N 0 0 232.373 4.560 10 0 BJAERN Cc1ccccc1NCC[C@@H](C)c1ccccc1 ZINC000034540811 179304637 /nfs/dbraw/zinc/30/46/37/179304637.db2.gz CZLZGOMQKYYTOV-CQSZACIVSA-N 0 0 239.362 4.601 10 0 BJAERN Cc1ccccc1NCC[C@H](C)c1ccccc1 ZINC000034540813 179305053 /nfs/dbraw/zinc/30/50/53/179305053.db2.gz CZLZGOMQKYYTOV-AWEZNQCLSA-N 0 0 239.362 4.601 10 0 BJAERN CC(C)(C)C(=O)c1ccccc1-c1ccccc1 ZINC000034584157 347089987 /nfs/dbraw/zinc/08/99/87/347089987.db2.gz VSEQLEQSRVRNQB-UHFFFAOYSA-N 0 0 238.330 4.582 10 0 BJAERN COc1ccc(-c2cccc3ccccc32)cc1 ZINC000034586727 175034802 /nfs/dbraw/zinc/03/48/02/175034802.db2.gz SOKALMMKJGUKGK-UHFFFAOYSA-N 0 0 234.298 4.515 10 0 BJAERN Clc1ccc2nc(-c3ccccc3)ccc2c1 ZINC000034606842 343275824 /nfs/dbraw/zinc/27/58/24/343275824.db2.gz AZMVZKKDRDQEIQ-UHFFFAOYSA-N 0 0 239.705 4.555 10 0 BJAERN Clc1ccc2c(c1)Nc1ccccc1CS2 ZINC000034624867 345836442 /nfs/dbraw/zinc/83/64/42/345836442.db2.gz MHSOAYVPFXAMFF-UHFFFAOYSA-N 0 0 247.750 4.689 10 0 BJAERN c1cc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000034632967 183381017 /nfs/dbraw/zinc/38/10/17/183381017.db2.gz XQFYGXFPKONEPY-UHFFFAOYSA-N 0 0 220.271 4.614 10 0 BJAERN CC(C)Cc1ccc(C(=O)CC(C)(C)C)cc1 ZINC000034976585 351369059 /nfs/dbraw/zinc/36/90/59/351369059.db2.gz YXHXMQKKFRCPOX-UHFFFAOYSA-N 0 0 232.367 4.504 10 0 BJAERN CCC(CC)C(=O)c1ccc(CC(C)C)cc1 ZINC000034976587 351368927 /nfs/dbraw/zinc/36/89/27/351368927.db2.gz HNMVLJZNNCEBMI-UHFFFAOYSA-N 0 0 232.367 4.504 10 0 BJAERN Cc1ccc(C(=O)C[C@@H](C)CC(C)(C)C)s1 ZINC000034976773 351368559 /nfs/dbraw/zinc/36/85/59/351368559.db2.gz VATIULXAFFJWFK-SNVBAGLBSA-N 0 0 238.396 4.702 10 0 BJAERN Cc1ccc(C(=O)C[C@H](C)CC(C)(C)C)s1 ZINC000034976775 351369066 /nfs/dbraw/zinc/36/90/66/351369066.db2.gz VATIULXAFFJWFK-JTQLQIEISA-N 0 0 238.396 4.702 10 0 BJAERN O=C(CCC1CCCC1)c1ccc(Cl)s1 ZINC000034976859 351369564 /nfs/dbraw/zinc/36/95/64/351369564.db2.gz WIXHIIOGZSTXQR-UHFFFAOYSA-N 0 0 242.771 4.555 10 0 BJAERN CSc1ccccc1N[C@H](C)c1ccccc1 ZINC000034981109 175583627 /nfs/dbraw/zinc/58/36/27/175583627.db2.gz BDXFMTQSAHPKCK-GFCCVEGCSA-N 0 0 243.375 4.582 10 0 BJAERN CC(C)CCNc1ccc(-c2ccccc2)cc1 ZINC000035022246 166867574 /nfs/dbraw/zinc/86/75/74/166867574.db2.gz PXDOOLWSDBBXQK-UHFFFAOYSA-N 0 0 239.362 4.812 10 0 BJAERN CC(C)(C)c1ccccc1NCc1cccs1 ZINC000035022602 187257623 /nfs/dbraw/zinc/25/76/23/187257623.db2.gz GQPHZVAAKUUVGS-UHFFFAOYSA-N 0 0 245.391 4.658 10 0 BJAERN Cc1c2c3ccccc3c=2c(=S)c(=S)c1C ZINC000035052097 342706668 /nfs/dbraw/zinc/70/66/68/342706668.db2.gz LQIWCFQYSQQZEP-UHFFFAOYSA-N 0 0 242.368 4.896 10 0 BJAERN CCCCCCc1cscc1Br ZINC000035091519 345849113 /nfs/dbraw/zinc/84/91/13/345849113.db2.gz MIPGHRJNTJLYPW-UHFFFAOYSA-N 0 0 247.201 4.633 10 0 BJAERN Cc1ccc(CNc2ccc3ccccc3c2)cc1 ZINC000035141324 356704042 /nfs/dbraw/zinc/70/40/42/356704042.db2.gz QHKYBOWBHQYCOU-UHFFFAOYSA-N 0 0 247.341 4.760 10 0 BJAERN c1ccc2cc(NC3CCCCC3)ccc2c1 ZINC000035207364 183457780 /nfs/dbraw/zinc/45/77/80/183457780.db2.gz AOVPPUTVJOCLEZ-UHFFFAOYSA-N 0 0 225.335 4.584 10 0 BJAERN c1c2ccccc2[nH]c1C1=Cc2ccccc2CC1 ZINC000035242275 345848281 /nfs/dbraw/zinc/84/82/81/345848281.db2.gz UISXPDDRBNEQBG-UHFFFAOYSA-N 0 0 245.325 4.655 10 0 BJAERN c1c2ccccc2sc1C1=Cc2ccccc2C1 ZINC000035242305 187244242 /nfs/dbraw/zinc/24/42/42/187244242.db2.gz QZWJGYFZBPCXKV-UHFFFAOYSA-N 0 0 248.350 4.998 10 0 BJAERN CC[C@H](C)c1ccc(C(=O)C2CCCC2)cc1 ZINC000036162317 171409616 /nfs/dbraw/zinc/40/96/16/171409616.db2.gz JNMDDYYXXNWVRZ-LBPRGKRZSA-N 0 0 230.351 4.573 10 0 BJAERN CCCCc1ccc(C(=O)C2CCCCC2)cc1 ZINC000036164939 169019605 /nfs/dbraw/zinc/01/96/05/169019605.db2.gz HUIJZKDENJHCHG-UHFFFAOYSA-N 0 0 244.378 4.792 10 0 BJAERN O[C@@H](c1ccc(C2CCCCC2)cc1)C1CCC1 ZINC000036164956 183184641 /nfs/dbraw/zinc/18/46/41/183184641.db2.gz JNJNZPGUFGCONB-QGZVFWFLSA-N 0 0 244.378 4.568 10 0 BJAERN O[C@H](c1ccc(C2CCCCC2)cc1)C1CCC1 ZINC000036164959 183228710 /nfs/dbraw/zinc/22/87/10/183228710.db2.gz JNJNZPGUFGCONB-KRWDZBQOSA-N 0 0 244.378 4.568 10 0 BJAERN CCCCc1ccc([C@H](O)C2CCCCC2)cc1 ZINC000036171563 169023685 /nfs/dbraw/zinc/02/36/85/169023685.db2.gz VFSLXXGURLEPIH-QGZVFWFLSA-N 0 0 246.394 4.643 10 0 BJAERN CCCCc1ccc([C@@H](O)C2CCCCC2)cc1 ZINC000036171565 169023397 /nfs/dbraw/zinc/02/33/97/169023397.db2.gz VFSLXXGURLEPIH-KRWDZBQOSA-N 0 0 246.394 4.643 10 0 BJAERN CC[C@@H](C)c1ccc([C@H](O)C2CCCCC2)cc1 ZINC000036171570 170805084 /nfs/dbraw/zinc/80/50/84/170805084.db2.gz LBLJXYIEDCBTAW-CXAGYDPISA-N 0 0 246.394 4.814 10 0 BJAERN CC[C@@H](C)c1ccc([C@@H](O)C2CCCCC2)cc1 ZINC000036171574 170804850 /nfs/dbraw/zinc/80/48/50/170804850.db2.gz LBLJXYIEDCBTAW-DYVFJYSZSA-N 0 0 246.394 4.814 10 0 BJAERN CC(C)C[C@@H](O)c1ccc(C2CCCCC2)cc1 ZINC000036171585 187422203 /nfs/dbraw/zinc/42/22/03/187422203.db2.gz UNFQZQQSPNMFCX-QGZVFWFLSA-N 0 0 246.394 4.814 10 0 BJAERN CCCC[C@H](O)c1ccc(C2CCCCC2)cc1 ZINC000036171587 169013209 /nfs/dbraw/zinc/01/32/09/169013209.db2.gz PGZOELZRZDLJFH-KRWDZBQOSA-N 0 0 246.394 4.958 10 0 BJAERN CCCCCCc1ccc(C(=O)CCC)cc1 ZINC000036180519 168680301 /nfs/dbraw/zinc/68/03/01/168680301.db2.gz HECYNFHFXMSKLM-UHFFFAOYSA-N 0 0 232.367 4.792 10 0 BJAERN CC(C)(C)n1c2ccsc2c2sccc21 ZINC000036421440 343987634 /nfs/dbraw/zinc/98/76/34/343987634.db2.gz KRRXYNUPCDHOJE-UHFFFAOYSA-N 0 0 235.377 4.673 10 0 BJAERN CC(C)(C)c1cc2occc2c(C(C)(C)C)c1O ZINC000036421727 342994935 /nfs/dbraw/zinc/99/49/35/342994935.db2.gz AKXFJUUGOGZHQF-UHFFFAOYSA-N 0 0 246.350 4.733 10 0 BJAERN Cc1ccc(/C=C/c2ccc(C)s2)s1 ZINC000036439123 342999834 /nfs/dbraw/zinc/99/98/34/342999834.db2.gz QWTKTODVHIAFML-BQYQJAHWSA-N 0 0 220.362 4.597 10 0 BJAERN COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1 ZINC000036457082 343005295 /nfs/dbraw/zinc/00/52/95/343005295.db2.gz LOENTCXEGFWNTR-UHFFFAOYSA-N 0 0 240.346 4.660 10 0 BJAERN CC(=O)c1ccc(-c2ccc(Cl)cc2)c(C)c1 ZINC000036473674 384685314 /nfs/dbraw/zinc/68/53/14/384685314.db2.gz PDTPZAKZRQMMDT-UHFFFAOYSA-N 0 0 244.721 4.518 10 0 BJAERN Clc1cccc(-c2cnc3ccccc3c2)c1 ZINC000036532569 180589633 /nfs/dbraw/zinc/58/96/33/180589633.db2.gz KCDXENDHBREJMG-UHFFFAOYSA-N 0 0 239.705 4.555 10 0 BJAERN Cc1ccccc1-c1ccc(C(=O)C(C)C)s1 ZINC000036666774 179236062 /nfs/dbraw/zinc/23/60/62/179236062.db2.gz NXEOLIDFGFCIOY-UHFFFAOYSA-N 0 0 244.359 4.562 10 0 BJAERN CC(C)c1ccc(C(=O)CCC2CCCC2)cc1 ZINC000036819439 347826545 /nfs/dbraw/zinc/82/65/45/347826545.db2.gz FSOAUEGUFNYDAQ-UHFFFAOYSA-N 0 0 244.378 4.963 10 0 BJAERN Cc1ccc(-c2ccc(C(=O)C(C)C)s2)cc1 ZINC000036927380 178322460 /nfs/dbraw/zinc/32/24/60/178322460.db2.gz MAHQHVLCYNAIHZ-UHFFFAOYSA-N 0 0 244.359 4.562 10 0 BJAERN CCC(=O)c1ccc(-c2ccccc2CC)s1 ZINC000036927391 168254905 /nfs/dbraw/zinc/25/49/05/168254905.db2.gz OHWAPTKDRDIESN-UHFFFAOYSA-N 0 0 244.359 4.570 10 0 BJAERN CC(=O)c1ccc(-c2cccc(C(C)C)c2)s1 ZINC000036927397 166450960 /nfs/dbraw/zinc/45/09/60/166450960.db2.gz YSELSIRUAZXZPE-UHFFFAOYSA-N 0 0 244.359 4.741 10 0 BJAERN CCCc1ccc(-c2ccc(C(C)=O)s2)cc1 ZINC000036927399 169568929 /nfs/dbraw/zinc/56/89/29/169568929.db2.gz KSQVTKINMMBIND-UHFFFAOYSA-N 0 0 244.359 4.570 10 0 BJAERN CCC(=O)c1ccc(-c2cc(C)ccc2C)s1 ZINC000036927456 168254642 /nfs/dbraw/zinc/25/46/42/168254642.db2.gz ZYAZIZKPFWGCRO-UHFFFAOYSA-N 0 0 244.359 4.625 10 0 BJAERN CCC(=O)c1ccc(-c2cc(C)cc(C)c2)s1 ZINC000036927461 168255323 /nfs/dbraw/zinc/25/53/23/168255323.db2.gz WJOXJSCLDUCYKA-UHFFFAOYSA-N 0 0 244.359 4.625 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1cc(C)ccc1C ZINC000036939951 347971854 /nfs/dbraw/zinc/97/18/54/347971854.db2.gz FGFXLVZCGDTAIK-CQSZACIVSA-N 0 0 232.367 4.703 10 0 BJAERN CCCC[C@H](CC)C(=O)c1cc(C)ccc1C ZINC000036939953 347972224 /nfs/dbraw/zinc/97/22/24/347972224.db2.gz FGFXLVZCGDTAIK-AWEZNQCLSA-N 0 0 232.367 4.703 10 0 BJAERN CCC[C@@H](C)C(=O)c1c(C)c(C)cc(C)c1C ZINC000036940013 347971860 /nfs/dbraw/zinc/97/18/60/347971860.db2.gz GUMFYQMJZVFMEG-SNVBAGLBSA-N 0 0 232.367 4.539 10 0 BJAERN CCC[C@H](C)C(=O)c1c(C)c(C)cc(C)c1C ZINC000036940015 347972117 /nfs/dbraw/zinc/97/21/17/347972117.db2.gz GUMFYQMJZVFMEG-JTQLQIEISA-N 0 0 232.367 4.539 10 0 BJAERN Cc1cc(C)c(C)c(C(=O)CC(C)(C)C)c1C ZINC000036940020 347972328 /nfs/dbraw/zinc/97/23/28/347972328.db2.gz VEVAEMFNDWOSJB-UHFFFAOYSA-N 0 0 232.367 4.539 10 0 BJAERN CCC(CC)C(=O)c1c(C)c(C)cc(C)c1C ZINC000036940042 347972289 /nfs/dbraw/zinc/97/22/89/347972289.db2.gz KHHGHFORTNUSHV-UHFFFAOYSA-N 0 0 232.367 4.539 10 0 BJAERN Cc1cc(C)c(C)c(C(=O)C2CCCCC2)c1C ZINC000036940070 347972956 /nfs/dbraw/zinc/97/29/56/347972956.db2.gz NPLKYESVNXZTOC-UHFFFAOYSA-N 0 0 244.378 4.683 10 0 BJAERN CCCCC(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000036940152 347972765 /nfs/dbraw/zinc/97/27/65/347972765.db2.gz MPQPCPCXHSAQIU-UHFFFAOYSA-N 0 0 232.367 4.602 10 0 BJAERN CCC[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000036940713 169354280 /nfs/dbraw/zinc/35/42/80/169354280.db2.gz RSZCFRUACFRMHR-GFCCVEGCSA-N 0 0 232.367 4.603 10 0 BJAERN CCC[C@H](C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000036940715 169475448 /nfs/dbraw/zinc/47/54/48/169475448.db2.gz RSZCFRUACFRMHR-LBPRGKRZSA-N 0 0 232.367 4.603 10 0 BJAERN CC(C)CCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000036940717 166798451 /nfs/dbraw/zinc/79/84/51/166798451.db2.gz HQXHOBDULLENHP-UHFFFAOYSA-N 0 0 232.367 4.603 10 0 BJAERN CC(C)(C)CC(=O)c1ccc(C(C)(C)C)cc1 ZINC000036940721 347973636 /nfs/dbraw/zinc/97/36/36/347973636.db2.gz UVBMLEPTCIFDRG-UHFFFAOYSA-N 0 0 232.367 4.603 10 0 BJAERN CCC(CC)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000036940733 168343107 /nfs/dbraw/zinc/34/31/07/168343107.db2.gz NLRROTBCZBEUGI-UHFFFAOYSA-N 0 0 232.367 4.603 10 0 BJAERN CC[C@H](C)c1ccc(C(=O)CC(C)(C)C)cc1 ZINC000036940785 171409764 /nfs/dbraw/zinc/40/97/64/171409764.db2.gz LXYKXMXZVPBNOS-LBPRGKRZSA-N 0 0 232.367 4.819 10 0 BJAERN CCCCc1ccc(C(=O)[C@@H](C)CCC)cc1 ZINC000036940895 169019765 /nfs/dbraw/zinc/01/97/65/169019765.db2.gz QHHSAULUCKGWTF-ZDUSSCGKSA-N 0 0 232.367 4.648 10 0 BJAERN CCCCc1ccc(C(=O)[C@H](C)CCC)cc1 ZINC000036940897 169020406 /nfs/dbraw/zinc/02/04/06/169020406.db2.gz QHHSAULUCKGWTF-CYBMUJFWSA-N 0 0 232.367 4.648 10 0 BJAERN CCCCc1ccc(C(=O)CC(C)(C)C)cc1 ZINC000036940903 169019260 /nfs/dbraw/zinc/01/92/60/169019260.db2.gz FIBCPCDOSVGSEZ-UHFFFAOYSA-N 0 0 232.367 4.648 10 0 BJAERN CCCCc1ccc(C(=O)C(CC)CC)cc1 ZINC000036940924 169019607 /nfs/dbraw/zinc/01/96/07/169019607.db2.gz KYMSQAPOGLBSNF-UHFFFAOYSA-N 0 0 232.367 4.648 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1ccc(C)cc1C ZINC000036940975 347973349 /nfs/dbraw/zinc/97/33/49/347973349.db2.gz XSAYMOCYNVQUMA-CQSZACIVSA-N 0 0 232.367 4.703 10 0 BJAERN CCCC[C@H](CC)C(=O)c1ccc(C)cc1C ZINC000036940977 347973284 /nfs/dbraw/zinc/97/32/84/347973284.db2.gz XSAYMOCYNVQUMA-AWEZNQCLSA-N 0 0 232.367 4.703 10 0 BJAERN CCC[C@@H](C)C(=O)c1ccc(CC(C)C)cc1 ZINC000036941264 347974438 /nfs/dbraw/zinc/97/44/38/347974438.db2.gz QTSIQVVQHBRWAS-CYBMUJFWSA-N 0 0 232.367 4.504 10 0 BJAERN CCC[C@H](C)C(=O)c1ccc(CC(C)C)cc1 ZINC000036941266 347974331 /nfs/dbraw/zinc/97/43/31/347974331.db2.gz QTSIQVVQHBRWAS-ZDUSSCGKSA-N 0 0 232.367 4.504 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1ccc(Cl)cc1 ZINC000036941670 361580717 /nfs/dbraw/zinc/58/07/17/361580717.db2.gz PEXAXHVAKQHQDG-LLVKDONJSA-N 0 0 238.758 4.739 10 0 BJAERN CCCC[C@H](CC)C(=O)c1ccc(Cl)cc1 ZINC000036941672 361580613 /nfs/dbraw/zinc/58/06/13/361580613.db2.gz PEXAXHVAKQHQDG-NSHDSACASA-N 0 0 238.758 4.739 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1ccc(CC)cc1 ZINC000036941831 347975672 /nfs/dbraw/zinc/97/56/72/347975672.db2.gz MSJOZHCIDLDYQK-CQSZACIVSA-N 0 0 232.367 4.648 10 0 BJAERN CCCC[C@H](CC)C(=O)c1ccc(CC)cc1 ZINC000036941833 347975840 /nfs/dbraw/zinc/97/58/40/347975840.db2.gz MSJOZHCIDLDYQK-AWEZNQCLSA-N 0 0 232.367 4.648 10 0 BJAERN Cc1ccc(C(=O)C[C@@H](C)CC(C)(C)C)cc1 ZINC000036942777 187422761 /nfs/dbraw/zinc/42/27/61/187422761.db2.gz OZRQPMWIGRBZSO-CYBMUJFWSA-N 0 0 232.367 4.640 10 0 BJAERN Cc1ccc(C(=O)C[C@H](C)CC(C)(C)C)cc1 ZINC000036942779 187259073 /nfs/dbraw/zinc/25/90/73/187259073.db2.gz OZRQPMWIGRBZSO-ZDUSSCGKSA-N 0 0 232.367 4.640 10 0 BJAERN Cc1ccc(C(=O)CCC2CCCCC2)cc1 ZINC000036942800 188113203 /nfs/dbraw/zinc/11/32/03/188113203.db2.gz USDJPWHOVZNMBH-UHFFFAOYSA-N 0 0 230.351 4.538 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1ccc(Cl)s1 ZINC000036943091 361580498 /nfs/dbraw/zinc/58/04/98/361580498.db2.gz AOWIIEYOMDGGRH-SECBINFHSA-N 0 0 244.787 4.801 10 0 BJAERN CCCC[C@H](CC)C(=O)c1ccc(Cl)s1 ZINC000036943093 361580220 /nfs/dbraw/zinc/58/02/20/361580220.db2.gz AOWIIEYOMDGGRH-VIFPVBQESA-N 0 0 244.787 4.801 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1ccc(C)c(C)c1 ZINC000036944792 347977856 /nfs/dbraw/zinc/97/78/56/347977856.db2.gz BTEBORBDOHSQOD-CQSZACIVSA-N 0 0 232.367 4.703 10 0 BJAERN CCCC[C@H](CC)C(=O)c1ccc(C)c(C)c1 ZINC000036944794 347977327 /nfs/dbraw/zinc/97/73/27/347977327.db2.gz BTEBORBDOHSQOD-AWEZNQCLSA-N 0 0 232.367 4.703 10 0 BJAERN CCC[C@@H](C)C(=O)c1csc2ccccc12 ZINC000036944865 361580270 /nfs/dbraw/zinc/58/02/70/361580270.db2.gz YVPHMWFDONUKRM-SNVBAGLBSA-N 0 0 232.348 4.520 10 0 BJAERN CCC[C@H](C)C(=O)c1csc2ccccc12 ZINC000036944867 361580383 /nfs/dbraw/zinc/58/03/83/361580383.db2.gz YVPHMWFDONUKRM-JTQLQIEISA-N 0 0 232.348 4.520 10 0 BJAERN CC(C)(C)CC(=O)c1csc2ccccc12 ZINC000036944871 361580637 /nfs/dbraw/zinc/58/06/37/361580637.db2.gz XOUOSQAOMXFGMS-UHFFFAOYSA-N 0 0 232.348 4.520 10 0 BJAERN CCC(CC)C(=O)c1csc2ccccc12 ZINC000036944901 361580485 /nfs/dbraw/zinc/58/04/85/361580485.db2.gz CWBJJODLOSLPPD-UHFFFAOYSA-N 0 0 232.348 4.520 10 0 BJAERN O=C(c1csc2ccccc12)C1CCCCC1 ZINC000036944935 385590417 /nfs/dbraw/zinc/59/04/17/385590417.db2.gz JRCUOCQNRAQKDK-UHFFFAOYSA-N 0 0 244.359 4.664 10 0 BJAERN CCC[C@@H](C)CNc1ccc2ccccc2c1 ZINC000036951836 169360524 /nfs/dbraw/zinc/36/05/24/169360524.db2.gz GJVJEMYKUTYHFX-CYBMUJFWSA-N 0 0 227.351 4.688 10 0 BJAERN CCC[C@H](C)CNc1ccc2ccccc2c1 ZINC000036951837 169483338 /nfs/dbraw/zinc/48/33/38/169483338.db2.gz GJVJEMYKUTYHFX-ZDUSSCGKSA-N 0 0 227.351 4.688 10 0 BJAERN CC1CCC(Nc2ccc3ccccc3c2)CC1 ZINC000036951894 168165217 /nfs/dbraw/zinc/16/52/17/168165217.db2.gz KDWLXRWNECQCHR-UHFFFAOYSA-N 0 0 239.362 4.830 10 0 BJAERN CCC(CC)CNc1ccc2ccccc2c1 ZINC000036951930 168366548 /nfs/dbraw/zinc/36/65/48/168366548.db2.gz JHWGYZKXZBJCAH-UHFFFAOYSA-N 0 0 227.351 4.688 10 0 BJAERN CCC[C@@H](C)CNc1ccccc1C(C)(C)C ZINC000036956408 169361606 /nfs/dbraw/zinc/36/16/06/169361606.db2.gz MGMWYHSZXAKYIR-CYBMUJFWSA-N 0 0 233.399 4.832 10 0 BJAERN CCC(CC)CNc1ccccc1C(C)(C)C ZINC000036956498 168366378 /nfs/dbraw/zinc/36/63/78/168366378.db2.gz JUBFYFRDIRFRMU-UHFFFAOYSA-N 0 0 233.399 4.832 10 0 BJAERN CCC[C@@H](C)C(=O)c1cc(Cl)ccc1Cl ZINC000036961829 361585007 /nfs/dbraw/zinc/58/50/07/361585007.db2.gz KBCCZXHNJQBVOE-MRVPVSSYSA-N 0 0 245.149 4.612 10 0 BJAERN CCC[C@H](C)C(=O)c1cc(Cl)ccc1Cl ZINC000036961830 361584758 /nfs/dbraw/zinc/58/47/58/361584758.db2.gz KBCCZXHNJQBVOE-QMMMGPOBSA-N 0 0 245.149 4.612 10 0 BJAERN S=c1[nH]c2ccccc2n1C1CCCCCC1 ZINC000036963109 183313622 /nfs/dbraw/zinc/31/36/22/183313622.db2.gz YFNHORYIPMOVCQ-UHFFFAOYSA-N 0 0 246.379 4.594 10 0 BJAERN c1cc2cc(NCc3ccccc3)ccc2s1 ZINC000036976030 347988203 /nfs/dbraw/zinc/98/82/03/347988203.db2.gz RKJIIDYRILNVFU-UHFFFAOYSA-N 0 0 239.343 4.513 10 0 BJAERN CC(C)(C)c1ccc(NC(C2CC2)C2CC2)cc1 ZINC000036984049 187259650 /nfs/dbraw/zinc/25/96/50/187259650.db2.gz WFDAMJUDNAURDC-UHFFFAOYSA-N 0 0 243.394 4.585 10 0 BJAERN Cc1ccc(CNc2cccc(Cl)c2)cc1C ZINC000037202522 178640578 /nfs/dbraw/zinc/64/05/78/178640578.db2.gz IQBVOHBBAPGIRX-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN Cc1ccc(C)c(C(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000037353533 348348924 /nfs/dbraw/zinc/34/89/24/348348924.db2.gz VJPCDXHBSGBRKU-CYBMUJFWSA-N 0 0 246.394 4.949 10 0 BJAERN Cc1ccc(C)c(C(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000037353535 348349019 /nfs/dbraw/zinc/34/90/19/348349019.db2.gz VJPCDXHBSGBRKU-ZDUSSCGKSA-N 0 0 246.394 4.949 10 0 BJAERN CCC[C@@H](C)C(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000037353869 348349898 /nfs/dbraw/zinc/34/98/98/348349898.db2.gz XWYOVFWURJFGMG-SNVBAGLBSA-N 0 0 246.394 4.848 10 0 BJAERN CCC[C@H](C)C(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000037353871 348349915 /nfs/dbraw/zinc/34/99/15/348349915.db2.gz XWYOVFWURJFGMG-JTQLQIEISA-N 0 0 246.394 4.848 10 0 BJAERN Cc1c(C)c(C)c(C(=O)CC(C)(C)C)c(C)c1C ZINC000037353879 348350164 /nfs/dbraw/zinc/35/01/64/348350164.db2.gz ZHKONWIZTKFFLI-UHFFFAOYSA-N 0 0 246.394 4.848 10 0 BJAERN CCC(CC)C(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000037353911 348349895 /nfs/dbraw/zinc/34/98/95/348349895.db2.gz SGNUODMVEUATAS-UHFFFAOYSA-N 0 0 246.394 4.848 10 0 BJAERN Cc1c(C)c(C)c(C(=O)C2CCCC2)c(C)c1C ZINC000037353935 348350156 /nfs/dbraw/zinc/35/01/56/348350156.db2.gz OMSOEMOBQNCWKN-UHFFFAOYSA-N 0 0 244.378 4.602 10 0 BJAERN Cc1cc(C)c(C(=O)CCC2CCCC2)c(C)c1 ZINC000037354229 348353551 /nfs/dbraw/zinc/35/35/51/348353551.db2.gz PXBWSMSKLIKOMJ-UHFFFAOYSA-N 0 0 244.378 4.765 10 0 BJAERN Cc1ccc(C(=O)C[C@@H](C)CC(C)(C)C)c(C)c1 ZINC000037355206 348345806 /nfs/dbraw/zinc/34/58/06/348345806.db2.gz HKUHZYTXIPOYCC-CYBMUJFWSA-N 0 0 246.394 4.949 10 0 BJAERN Cc1ccc(C(=O)C[C@H](C)CC(C)(C)C)c(C)c1 ZINC000037355208 348345688 /nfs/dbraw/zinc/34/56/88/348345688.db2.gz HKUHZYTXIPOYCC-ZDUSSCGKSA-N 0 0 246.394 4.949 10 0 BJAERN CCCc1ccc(C(=O)CCC2CCCC2)cc1 ZINC000037356981 348346544 /nfs/dbraw/zinc/34/65/44/348346544.db2.gz SKYJFDNPLWNCMA-UHFFFAOYSA-N 0 0 244.378 4.792 10 0 BJAERN CCc1ccc(C(=O)C[C@@H](C)CC(C)(C)C)cc1 ZINC000037358076 348346957 /nfs/dbraw/zinc/34/69/57/348346957.db2.gz QSCCLIPDJXUUCC-CYBMUJFWSA-N 0 0 246.394 4.894 10 0 BJAERN CCc1ccc(C(=O)C[C@H](C)CC(C)(C)C)cc1 ZINC000037358079 348347048 /nfs/dbraw/zinc/34/70/48/348347048.db2.gz QSCCLIPDJXUUCC-ZDUSSCGKSA-N 0 0 246.394 4.894 10 0 BJAERN Cc1ccc(C(=O)C[C@@H](C)CC(C)(C)C)cc1C ZINC000037363129 348356543 /nfs/dbraw/zinc/35/65/43/348356543.db2.gz BSOFTMQHTZREOM-GFCCVEGCSA-N 0 0 246.394 4.949 10 0 BJAERN Cc1ccc(C(=O)C[C@H](C)CC(C)(C)C)cc1C ZINC000037363131 348357064 /nfs/dbraw/zinc/35/70/64/348357064.db2.gz BSOFTMQHTZREOM-LBPRGKRZSA-N 0 0 246.394 4.949 10 0 BJAERN CCC[C@@H](C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037377398 363335884 /nfs/dbraw/zinc/33/58/84/363335884.db2.gz XIOPEXCRVJTDSP-MRVPVSSYSA-N 0 0 245.149 4.612 10 0 BJAERN CCC[C@H](C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037377401 348385233 /nfs/dbraw/zinc/38/52/33/348385233.db2.gz XIOPEXCRVJTDSP-QMMMGPOBSA-N 0 0 245.149 4.612 10 0 BJAERN CCC(CC)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037377500 363336044 /nfs/dbraw/zinc/33/60/44/363336044.db2.gz HEXWAHYXMUCHIH-UHFFFAOYSA-N 0 0 245.149 4.612 10 0 BJAERN CCC(CC)C(=O)c1cc(Cl)ccc1Cl ZINC000037378181 363486378 /nfs/dbraw/zinc/48/63/78/363486378.db2.gz ITOMSWQHIYJNRJ-UHFFFAOYSA-N 0 0 245.149 4.612 10 0 BJAERN c1cc2c(cccc2Oc2ccccc2)s1 ZINC000037597697 343348663 /nfs/dbraw/zinc/34/86/63/343348663.db2.gz HFKNWNGNAYJIJJ-UHFFFAOYSA-N 0 0 226.300 4.694 10 0 BJAERN Cc1[nH]c2ccc(C)cc2c1-c1ccc(F)cc1 ZINC000037625202 343350339 /nfs/dbraw/zinc/35/03/39/343350339.db2.gz HFXMDBRHZIAKMX-UHFFFAOYSA-N 0 0 239.293 4.591 10 0 BJAERN Cc1cc(C)c(N[C@H](C)c2ccccc2)c(C)c1 ZINC000037763515 177866786 /nfs/dbraw/zinc/86/67/86/177866786.db2.gz WUVQDHJHRTWDIU-OAHLLOKOSA-N 0 0 239.362 4.785 10 0 BJAERN Cc1cc(C)c(N[C@H](C)c2cccs2)c(C)c1 ZINC000037763560 177866831 /nfs/dbraw/zinc/86/68/31/177866831.db2.gz PUYSLSBWJFYCTJ-CYBMUJFWSA-N 0 0 245.391 4.846 10 0 BJAERN CCc1cccc(C)c1N[C@H](C)c1ccccc1 ZINC000037763724 171854543 /nfs/dbraw/zinc/85/45/43/171854543.db2.gz SVXQFTJNGMJGGS-CQSZACIVSA-N 0 0 239.362 4.731 10 0 BJAERN CCc1cccc(C)c1NCc1sccc1C ZINC000037763798 171854437 /nfs/dbraw/zinc/85/44/37/171854437.db2.gz VICJUAZRXIMEPK-UHFFFAOYSA-N 0 0 245.391 4.539 10 0 BJAERN CCc1cccc(C)c1N[C@@H](C)c1ccc(C)o1 ZINC000037763813 171854391 /nfs/dbraw/zinc/85/43/91/171854391.db2.gz PKDTXWBWXUGFCA-ZDUSSCGKSA-N 0 0 243.350 4.632 10 0 BJAERN CCSc1ccccc1N[C@@H](C)c1ccco1 ZINC000037779099 170656682 /nfs/dbraw/zinc/65/66/82/170656682.db2.gz MSKGHDIBHPWQCQ-NSHDSACASA-N 0 0 247.363 4.565 10 0 BJAERN CCSc1ccccc1NC[C@H]1CC=CCC1 ZINC000037779433 170656731 /nfs/dbraw/zinc/65/67/31/170656731.db2.gz BVNCNCFRPXTYAZ-ZDUSSCGKSA-N 0 0 247.407 4.567 10 0 BJAERN CCC(=O)c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000038069545 168255359 /nfs/dbraw/zinc/25/53/59/168255359.db2.gz FALACDABBNMFBE-UHFFFAOYSA-N 0 0 238.330 4.563 10 0 BJAERN CCC(=O)c1cccc(-c2cc(C)cc(C)c2)c1 ZINC000038069551 168257512 /nfs/dbraw/zinc/25/75/12/168257512.db2.gz WKXCRIDNNVAKCS-UHFFFAOYSA-N 0 0 238.330 4.563 10 0 BJAERN CCC(=O)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000038069566 168257271 /nfs/dbraw/zinc/25/72/71/168257271.db2.gz DVGUPQHDSBHUSV-UHFFFAOYSA-N 0 0 244.721 4.600 10 0 BJAERN CC(=O)c1ccccc1-c1ccc2ccccc2c1 ZINC000038069682 166480627 /nfs/dbraw/zinc/48/06/27/166480627.db2.gz SMJREIXGXBULGV-UHFFFAOYSA-N 0 0 246.309 4.709 10 0 BJAERN CC(=O)c1cccc(-c2ccc3ccccc3c2)c1 ZINC000038069683 538964800 /nfs/dbraw/zinc/96/48/00/538964800.db2.gz JXOBLJLGWPPRNH-UHFFFAOYSA-N 0 0 246.309 4.709 10 0 BJAERN CCC(=O)c1ccc(-c2ccc(C)cc2C)cc1 ZINC000038071749 168255208 /nfs/dbraw/zinc/25/52/08/168255208.db2.gz KDTWBCFCAJANBX-UHFFFAOYSA-N 0 0 238.330 4.563 10 0 BJAERN CCC(=O)c1cccc(-c2ccccc2Cl)c1 ZINC000038078187 168257913 /nfs/dbraw/zinc/25/79/13/168257913.db2.gz ZCCXHBNYBKJDLW-UHFFFAOYSA-N 0 0 244.721 4.600 10 0 BJAERN Oc1c(/C=C/c2ccccc2)ccc2ccccc12 ZINC000038147904 183252631 /nfs/dbraw/zinc/25/26/31/183252631.db2.gz SSGQQSMOTPMSLA-ZHACJKMWSA-N 0 0 246.309 4.716 10 0 BJAERN Oc1ccc(/C=C\c2ccc3ccccc3c2)cc1 ZINC000038153033 368325046 /nfs/dbraw/zinc/32/50/46/368325046.db2.gz PZFXCZNGKMGDQQ-WAYWQWQTSA-N 0 0 246.309 4.716 10 0 BJAERN c1c2ccccc2oc1-c1cc2ccccc2o1 ZINC000038254809 183459642 /nfs/dbraw/zinc/45/96/42/183459642.db2.gz AZTLWEXIUZBRGD-UHFFFAOYSA-N 0 0 234.254 4.846 10 0 BJAERN Cc1cccnc1-c1ccccc1-c1ccccc1 ZINC000038272780 179357019 /nfs/dbraw/zinc/35/70/19/179357019.db2.gz SUNDPBLYELEYNO-UHFFFAOYSA-N 0 0 245.325 4.724 10 0 BJAERN CSc1c2ccccc2[nH]c1-c1ccccc1 ZINC000038284608 364382944 /nfs/dbraw/zinc/38/29/44/364382944.db2.gz RYTPYEWKINNQPB-UHFFFAOYSA-N 0 0 239.343 4.557 10 0 BJAERN COc1ccc(-c2ccc3ccccc3c2)cc1 ZINC000038302552 175034141 /nfs/dbraw/zinc/03/41/41/175034141.db2.gz HMJIYPQPQDOHRP-UHFFFAOYSA-N 0 0 234.298 4.515 10 0 BJAERN CC[C@@H](C)Cc1ccc(-c2ccc(O)cc2)cc1 ZINC000038351538 368326442 /nfs/dbraw/zinc/32/64/42/368326442.db2.gz NJILCTCTAPYSNT-CYBMUJFWSA-N 0 0 240.346 4.648 10 0 BJAERN CC[C@H](C)Cc1ccc(-c2ccc(O)cc2)cc1 ZINC000038351539 368326319 /nfs/dbraw/zinc/32/63/19/368326319.db2.gz NJILCTCTAPYSNT-ZDUSSCGKSA-N 0 0 240.346 4.648 10 0 BJAERN c1cc2sc(-c3ccccc3)cc2s1 ZINC000038417284 368326834 /nfs/dbraw/zinc/32/68/34/368326834.db2.gz BTIULKSAEDRUIK-UHFFFAOYSA-N 0 0 216.330 4.630 10 0 BJAERN CC(C)=CCC/C(C)=C/CC/C(C)=C/CCO ZINC000038418039 358151187 /nfs/dbraw/zinc/15/11/87/358151187.db2.gz KOICZDDAVPYKKX-NCZFFCEISA-N 0 0 236.399 4.788 10 0 BJAERN Cc1ccc2c(c1)C(=O)CC[C@@H]2C1CCCCC1 ZINC000038418287 368326667 /nfs/dbraw/zinc/32/66/67/368326667.db2.gz ZYFSYVSOWAQBFO-CQSZACIVSA-N 0 0 242.362 4.635 10 0 BJAERN Cc1ccc2c(c1)C(=O)CC[C@H]2C1CCCCC1 ZINC000038418288 368326567 /nfs/dbraw/zinc/32/65/67/368326567.db2.gz ZYFSYVSOWAQBFO-AWEZNQCLSA-N 0 0 242.362 4.635 10 0 BJAERN Cc1cc2nc(c1)CCCCCCCCCC2 ZINC000038612147 178304053 /nfs/dbraw/zinc/30/40/53/178304053.db2.gz OUKMHRRHBQEKDE-UHFFFAOYSA-N 0 0 231.383 4.609 10 0 BJAERN CC1=Cc2c(sc(C)c2-c2ccccc2)C1 ZINC000038843523 168133011 /nfs/dbraw/zinc/13/30/11/168133011.db2.gz NXGVKVNLLSSVQQ-UHFFFAOYSA-N 0 0 226.344 4.683 10 0 BJAERN Clc1ccc(Nc2ccccc2)c(Cl)c1 ZINC000038844782 343242844 /nfs/dbraw/zinc/24/28/44/343242844.db2.gz WRQKGHMNRXSQFK-UHFFFAOYSA-N 0 0 238.117 4.737 10 0 BJAERN c1c2ccccc2sc1C1=CCCCC1 ZINC000038952362 368327983 /nfs/dbraw/zinc/32/79/83/368327983.db2.gz PIUZDZLNLMKVTA-UHFFFAOYSA-N 0 0 214.333 4.859 10 0 BJAERN O=C(/C=C/C1CCCCCC1)c1ccc(F)cc1 ZINC000038954437 350113842 /nfs/dbraw/zinc/11/38/42/350113842.db2.gz UDCWMWWDTKIMIN-KPKJPENVSA-N 0 0 246.325 4.535 10 0 BJAERN Cc1ccc(C(=O)CCCC2CCCCC2)cc1 ZINC000038977432 347173982 /nfs/dbraw/zinc/17/39/82/347173982.db2.gz MPQOCKALDALYJP-UHFFFAOYSA-N 0 0 244.378 4.928 10 0 BJAERN CCc1cc2cc(O)ccc2c(-c2ccccc2)c1 ZINC000038977657 347174256 /nfs/dbraw/zinc/17/42/56/347174256.db2.gz QCLUQPSCEDPOMS-UHFFFAOYSA-N 0 0 248.325 4.775 10 0 BJAERN O=C(/C=C/C1CCCCC1)c1ccc(Cl)cc1 ZINC000039020956 347175890 /nfs/dbraw/zinc/17/58/90/347175890.db2.gz BGQZMEHNOVUFHW-IZZDOVSWSA-N 0 0 248.753 4.659 10 0 BJAERN CCc1cccc(CC)c1Nc1ccccc1 ZINC000039102567 384103128 /nfs/dbraw/zinc/10/31/28/384103128.db2.gz HQUUGVKPDVPXRB-UHFFFAOYSA-N 0 0 225.335 4.555 10 0 BJAERN CC[C@H]1Sc2cscc2S[C@H]1CC ZINC000039102979 171154324 /nfs/dbraw/zinc/15/43/24/171154324.db2.gz HQLCDYKEPBBYFO-OCAPTIKFSA-N 0 0 230.423 4.503 10 0 BJAERN CC[C@@H]1Sc2cscc2S[C@H]1CC ZINC000039102980 171153815 /nfs/dbraw/zinc/15/38/15/171153815.db2.gz HQLCDYKEPBBYFO-YUMQZZPRSA-N 0 0 230.423 4.503 10 0 BJAERN CC[C@H]1Sc2cscc2S[C@@H]1CC ZINC000039102981 343384380 /nfs/dbraw/zinc/38/43/80/343384380.db2.gz HQLCDYKEPBBYFO-HTQZYQBOSA-N 0 0 230.423 4.503 10 0 BJAERN Cc1c2ccccc2oc1-c1ccc(F)cc1 ZINC000039110896 343385189 /nfs/dbraw/zinc/38/51/89/343385189.db2.gz PYJXGEFCIIBKMR-UHFFFAOYSA-N 0 0 226.250 4.547 10 0 BJAERN CCCC[C@@H](CC)[C@H]1Sc2ccccc2N1C ZINC000039118859 168961087 /nfs/dbraw/zinc/96/10/87/168961087.db2.gz KRQGGVCQVXLFFR-IUODEOHRSA-N 0 0 249.423 4.771 10 0 BJAERN CCCC[C@H](CC)[C@H]1Sc2ccccc2N1C ZINC000039118861 169000674 /nfs/dbraw/zinc/00/06/74/169000674.db2.gz KRQGGVCQVXLFFR-SWLSCSKDSA-N 0 0 249.423 4.771 10 0 BJAERN CCCC[C@@H](CC)[C@@H]1Sc2ccccc2N1C ZINC000039118863 343385459 /nfs/dbraw/zinc/38/54/59/343385459.db2.gz KRQGGVCQVXLFFR-DOMZBBRYSA-N 0 0 249.423 4.771 10 0 BJAERN CCCC[C@H](CC)[C@@H]1Sc2ccccc2N1C ZINC000039118865 169000746 /nfs/dbraw/zinc/00/07/46/169000746.db2.gz KRQGGVCQVXLFFR-WFASDCNBSA-N 0 0 249.423 4.771 10 0 BJAERN CCCC[C@@]1(C(C)C)Sc2ccccc2N1C ZINC000039118911 343385422 /nfs/dbraw/zinc/38/54/22/343385422.db2.gz NDSAUICGXJOYOB-HNNXBMFYSA-N 0 0 249.423 4.771 10 0 BJAERN CCCC[C@]1(C(C)C)Sc2ccccc2N1C ZINC000039118913 169014694 /nfs/dbraw/zinc/01/46/94/169014694.db2.gz NDSAUICGXJOYOB-OAHLLOKOSA-N 0 0 249.423 4.771 10 0 BJAERN CCCCc1oc(C)c2c1Oc1ccccc1O2 ZINC000039171243 347183098 /nfs/dbraw/zinc/18/30/98/347183098.db2.gz XXZBQTLWIFTADA-UHFFFAOYSA-N 0 0 244.290 4.829 10 0 BJAERN CCCCC[C@@H](C#N)c1ccccc1Cl ZINC000039209771 358219880 /nfs/dbraw/zinc/21/98/80/358219880.db2.gz VPSMXNOJPPZOGL-NSHDSACASA-N 0 0 221.731 4.527 10 0 BJAERN CCCCC[C@H](C#N)c1ccccc1Cl ZINC000039209772 358219549 /nfs/dbraw/zinc/21/95/49/358219549.db2.gz VPSMXNOJPPZOGL-LLVKDONJSA-N 0 0 221.731 4.527 10 0 BJAERN CCCCCC[C@@H](C#N)c1ccccc1Cl ZINC000039209773 347185082 /nfs/dbraw/zinc/18/50/82/347185082.db2.gz WUOYNQOKTDHWCD-LBPRGKRZSA-N 0 0 235.758 4.918 10 0 BJAERN CCCCCC[C@H](C#N)c1ccccc1Cl ZINC000039209774 347184811 /nfs/dbraw/zinc/18/48/11/347184811.db2.gz WUOYNQOKTDHWCD-GFCCVEGCSA-N 0 0 235.758 4.918 10 0 BJAERN CCCCC[C@@H](C#N)c1ccc(Cl)cc1 ZINC000039209785 347184908 /nfs/dbraw/zinc/18/49/08/347184908.db2.gz RPXCYEIMJNSVSR-LBPRGKRZSA-N 0 0 221.731 4.527 10 0 BJAERN CCCCC[C@H](C#N)c1ccc(Cl)cc1 ZINC000039209786 347185203 /nfs/dbraw/zinc/18/52/03/347185203.db2.gz RPXCYEIMJNSVSR-GFCCVEGCSA-N 0 0 221.731 4.527 10 0 BJAERN CCCCCC[C@@H](C#N)c1ccc(Cl)cc1 ZINC000039209787 347184878 /nfs/dbraw/zinc/18/48/78/347184878.db2.gz PMOSVFQXJROHTP-ZDUSSCGKSA-N 0 0 235.758 4.918 10 0 BJAERN CCCCCC[C@H](C#N)c1ccc(Cl)cc1 ZINC000039209788 347185024 /nfs/dbraw/zinc/18/50/24/347185024.db2.gz PMOSVFQXJROHTP-CYBMUJFWSA-N 0 0 235.758 4.918 10 0 BJAERN Clc1ncc(-c2ccccc2)c2ccccc12 ZINC000039222635 347185581 /nfs/dbraw/zinc/18/55/81/347185581.db2.gz SMIGICYHCZUSHY-UHFFFAOYSA-N 0 0 239.705 4.555 10 0 BJAERN Nc1cccc(-c2cccc(-c3ccccc3)c2)c1 ZINC000039255699 343387768 /nfs/dbraw/zinc/38/77/68/343387768.db2.gz VKODBTOHDAOSOS-UHFFFAOYSA-N 0 0 245.325 4.603 10 0 BJAERN CC=C1c2ccccc2Sc2ccccc21 ZINC000039257658 384677168 /nfs/dbraw/zinc/67/71/68/384677168.db2.gz YFLINWGSQLMOIT-UHFFFAOYSA-N 0 0 224.328 4.603 10 0 BJAERN Cc1ccc2cc(-c3ccccc3)sc2c1 ZINC000039278241 343388037 /nfs/dbraw/zinc/38/80/37/343388037.db2.gz XJCCJZJLAWSKMM-UHFFFAOYSA-N 0 0 224.328 4.877 10 0 BJAERN c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000039278754 385131527 /nfs/dbraw/zinc/13/15/27/385131527.db2.gz XTFVRSDPQJOAQJ-UHFFFAOYSA-N 0 0 245.281 4.648 10 0 BJAERN O=C(c1cccc2ccccc21)C1CCCCC1 ZINC000039284396 372930369 /nfs/dbraw/zinc/93/03/69/372930369.db2.gz FNMGQNDAHZHJIZ-UHFFFAOYSA-N 0 0 238.330 4.603 10 0 BJAERN CCCCCCC(C)(C)c1cccc(O)c1 ZINC000039286411 347188297 /nfs/dbraw/zinc/18/82/97/347188297.db2.gz KAQDSPLBLFEXRU-UHFFFAOYSA-N 0 0 220.356 4.640 10 0 BJAERN Nc1cc(-c2ccccc2)cc(-c2ccccc2)c1 ZINC000039408462 187263597 /nfs/dbraw/zinc/26/35/97/187263597.db2.gz PWRKEYBSOWAIMY-UHFFFAOYSA-N 0 0 245.325 4.603 10 0 BJAERN Cc1[nH]c2ccccc2c1-c1cc2ccccc2[nH]1 ZINC000039617869 177512902 /nfs/dbraw/zinc/51/29/02/177512902.db2.gz LJAHACKPFLSTHL-UHFFFAOYSA-N 0 0 246.313 4.625 10 0 BJAERN Cc1c2ccccc2[nH]c1-c1c[nH]c2ccccc12 ZINC000039617874 343391139 /nfs/dbraw/zinc/39/11/39/343391139.db2.gz YGUTWYRSEKQOMR-UHFFFAOYSA-N 0 0 246.313 4.625 10 0 BJAERN CCCC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000040245098 386467007 /nfs/dbraw/zinc/46/70/07/386467007.db2.gz QLIGCPRAHIGSPJ-KRWDZBQOSA-N 0 0 240.346 4.577 10 0 BJAERN CCCC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000040245099 386467521 /nfs/dbraw/zinc/46/75/21/386467521.db2.gz QLIGCPRAHIGSPJ-QGZVFWFLSA-N 0 0 240.346 4.577 10 0 BJAERN CCCCC/C=C\CC/C=C\C=C\CCCO ZINC000040449504 187944597 /nfs/dbraw/zinc/94/45/97/187944597.db2.gz AHUWGXXXQILFPZ-BFMSGXKYSA-N 0 0 236.399 4.788 10 0 BJAERN COc1ccc(/C=C/c2ccccc2Cl)cc1 ZINC000040568509 175047943 /nfs/dbraw/zinc/04/79/43/175047943.db2.gz GOKXXIMRVFUOIB-RMKNXTFCSA-N 0 0 244.721 4.519 10 0 BJAERN CCCCSc1nc(-c2ccccc2)cs1 ZINC000040924172 168934393 /nfs/dbraw/zinc/93/43/93/168934393.db2.gz VOPDIGLDSQBNDN-UHFFFAOYSA-N 0 0 249.404 4.702 10 0 BJAERN CCC(CC)C(=O)c1ccc(Cl)cc1Cl ZINC000040930007 360853782 /nfs/dbraw/zinc/85/37/82/360853782.db2.gz FNBHQIDAIAOIOR-UHFFFAOYSA-N 0 0 245.149 4.612 10 0 BJAERN CCC[C@@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000040930054 373933603 /nfs/dbraw/zinc/93/36/03/373933603.db2.gz KOCUPKKNIGYIDM-MRVPVSSYSA-N 0 0 245.149 4.612 10 0 BJAERN CCC[C@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000040930057 373934024 /nfs/dbraw/zinc/93/40/24/373934024.db2.gz KOCUPKKNIGYIDM-QMMMGPOBSA-N 0 0 245.149 4.612 10 0 BJAERN Cc1ccccc1Nc1ccnc2c(C)cccc12 ZINC000041055137 179308204 /nfs/dbraw/zinc/30/82/04/179308204.db2.gz GCTKVMMLBUONQR-UHFFFAOYSA-N 0 0 248.329 4.595 10 0 BJAERN Cc1cccc(Nc2ccnc3c(C)cccc23)c1 ZINC000041055149 179159536 /nfs/dbraw/zinc/15/95/36/179159536.db2.gz BIXBLOZCVBUAKL-UHFFFAOYSA-N 0 0 248.329 4.595 10 0 BJAERN Cc1cccc(Nc2ccnc3ccccc32)c1C ZINC000041055561 179159175 /nfs/dbraw/zinc/15/91/75/179159175.db2.gz VRTWIEUHQZUQNJ-UHFFFAOYSA-N 0 0 248.329 4.595 10 0 BJAERN CC(C)(C)c1ccccc1NCC1CCCC1 ZINC000041258026 187264880 /nfs/dbraw/zinc/26/48/80/187264880.db2.gz IGFXWEVHQQUFOS-UHFFFAOYSA-N 0 0 231.383 4.586 10 0 BJAERN Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1N ZINC000041282557 178322594 /nfs/dbraw/zinc/32/25/94/178322594.db2.gz RJWRIWARFNHRMP-UHFFFAOYSA-N 0 0 239.362 4.542 10 0 BJAERN Clc1ccc(NCC2CCCC2)cc1Cl ZINC000041289943 180582666 /nfs/dbraw/zinc/58/26/66/180582666.db2.gz OPFROHISQTXAJE-UHFFFAOYSA-N 0 0 244.165 4.596 10 0 BJAERN Clc1cc(Cl)cc(NCC2CCCC2)c1 ZINC000041289951 180575420 /nfs/dbraw/zinc/57/54/20/180575420.db2.gz FTCSRODIZAMLML-UHFFFAOYSA-N 0 0 244.165 4.596 10 0 BJAERN Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1C ZINC000041296550 350628561 /nfs/dbraw/zinc/62/85/61/350628561.db2.gz LZIUEQDFUVLIFV-UHFFFAOYSA-N 0 0 245.391 4.724 10 0 BJAERN Cc1cc(C)c(Cn2ccc3ccccc32)c(C)c1 ZINC000041304477 177864651 /nfs/dbraw/zinc/86/46/51/177864651.db2.gz FUSHTXNJHSYERP-UHFFFAOYSA-N 0 0 249.357 4.615 10 0 BJAERN CCCCCCNc1c(Cl)cccc1Cl ZINC000041571464 168670724 /nfs/dbraw/zinc/67/07/24/168670724.db2.gz CMGPOYSKDLADPR-UHFFFAOYSA-N 0 0 246.181 4.986 10 0 BJAERN Cc1ccc(Cl)c2c(Cl)c(Cl)cnc12 ZINC000041702500 343423277 /nfs/dbraw/zinc/42/32/77/343423277.db2.gz HTTHYEDAEYNWLF-UHFFFAOYSA-N 0 0 246.524 4.503 10 0 BJAERN Cc1cc(Cl)c2ncc(Cl)c(Cl)c2c1 ZINC000041702519 178061674 /nfs/dbraw/zinc/06/16/74/178061674.db2.gz GLXCHQMHNFZYLV-UHFFFAOYSA-N 0 0 246.524 4.503 10 0 BJAERN Cc1cccc(N[C@@H](c2cccs2)C2CC2)c1 ZINC000042328096 179154224 /nfs/dbraw/zinc/15/42/24/179154224.db2.gz NNZCUAYBKANHPO-OAHLLOKOSA-N 0 0 243.375 4.620 10 0 BJAERN Cc1cccc(N[C@H](c2cccs2)C2CC2)c1 ZINC000042328099 179157859 /nfs/dbraw/zinc/15/78/59/179157859.db2.gz NNZCUAYBKANHPO-HNNXBMFYSA-N 0 0 243.375 4.620 10 0 BJAERN Cc1ccccc1N[C@@H](c1cccs1)C1CC1 ZINC000042328675 179307049 /nfs/dbraw/zinc/30/70/49/179307049.db2.gz MXXZTZCVHJRLGO-OAHLLOKOSA-N 0 0 243.375 4.620 10 0 BJAERN Cc1ccccc1N[C@H](c1cccs1)C1CC1 ZINC000042328678 179306814 /nfs/dbraw/zinc/30/68/14/179306814.db2.gz MXXZTZCVHJRLGO-HNNXBMFYSA-N 0 0 243.375 4.620 10 0 BJAERN CCC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000043065376 168257883 /nfs/dbraw/zinc/25/78/83/168257883.db2.gz ADMPJHVEGSQTCU-UHFFFAOYSA-N 0 0 244.378 4.628 10 0 BJAERN Cc1ccc(C)c(NCc2cccc(C)c2C)c1 ZINC000043304769 178484414 /nfs/dbraw/zinc/48/44/14/178484414.db2.gz XFBVCOFYXAUUCN-UHFFFAOYSA-N 0 0 239.362 4.532 10 0 BJAERN CCOC(CC[C@@H](C)CCCC(C)C)OCC ZINC000043502935 343098838 /nfs/dbraw/zinc/09/88/38/343098838.db2.gz GRHKBSIHANYDNG-AWEZNQCLSA-N 0 0 244.419 4.628 10 0 BJAERN CCOC(CC[C@H](C)CCCC(C)C)OCC ZINC000043502938 343098832 /nfs/dbraw/zinc/09/88/32/343098832.db2.gz GRHKBSIHANYDNG-CQSZACIVSA-N 0 0 244.419 4.628 10 0 BJAERN CC(C)c1ccc(C[C@@H]2CCCCCC2=O)cc1 ZINC000043650114 167600822 /nfs/dbraw/zinc/60/08/22/167600822.db2.gz JALUBVTWWQWKHI-INIZCTEOSA-N 0 0 244.378 4.502 10 0 BJAERN Brc1cc(C2CCCCC2)cs1 ZINC000044121012 166096375 /nfs/dbraw/zinc/09/63/75/166096375.db2.gz HGCMMPHWKRUNNU-UHFFFAOYSA-N 0 0 245.185 4.558 10 0 BJAERN CC(C)=CCC[C@@H](C)[C@H]1C=CC(C)=CC1 ZINC000044431718 188296191 /nfs/dbraw/zinc/29/61/91/188296191.db2.gz KKOXKGNSUHTUBV-CABCVRRESA-N 0 0 204.357 4.891 10 0 endogenous,in-man BJAERN S=c1cc(-c2ccccc2)[nH]c2ccccc12 ZINC000044605129 358391602 /nfs/dbraw/zinc/39/16/02/358391602.db2.gz JHLFTQAEQCHZLP-UHFFFAOYSA-N 0 0 237.327 4.564 10 0 BJAERN CC(C)CCCCCCCCCCCO ZINC000044676392 343511451 /nfs/dbraw/zinc/51/14/51/343511451.db2.gz ZXUOFCUEFQCKKH-UHFFFAOYSA-N 0 0 214.393 4.536 10 0 in-vitro BJAERN CC(C)(Cl)Cc1ccc(Cl)c(Cl)c1 ZINC000049649441 188481468 /nfs/dbraw/zinc/48/14/68/188481468.db2.gz KHKNVBHJMKFBHT-UHFFFAOYSA-N 0 0 237.557 4.553 10 0 BJAERN CC(C)(Cl)Cc1ccc(Cl)cc1Cl ZINC000049649442 188125747 /nfs/dbraw/zinc/12/57/47/188125747.db2.gz QKXHMLVUIDWDTG-UHFFFAOYSA-N 0 0 237.557 4.553 10 0 BJAERN Cc1cc(CNc2ccc(C)c(C)c2)c(C)s1 ZINC000049684939 178043016 /nfs/dbraw/zinc/04/30/16/178043016.db2.gz ZUQJVAPRKOYTTO-UHFFFAOYSA-N 0 0 245.391 4.594 10 0 BJAERN CCc1cccc(NCc2cc(C)sc2C)c1 ZINC000049685006 171862150 /nfs/dbraw/zinc/86/21/50/171862150.db2.gz KRDTWQFICZUCOP-UHFFFAOYSA-N 0 0 245.391 4.539 10 0 BJAERN Cc1cc(CNc2cccc(C)c2C)c(C)s1 ZINC000049685017 178043219 /nfs/dbraw/zinc/04/32/19/178043219.db2.gz JPMUPFCJSLWZJO-UHFFFAOYSA-N 0 0 245.391 4.594 10 0 BJAERN CC(C)(C)c1ccc2[nH]c3ccccc3c2c1 ZINC000053293961 188483458 /nfs/dbraw/zinc/48/34/58/188483458.db2.gz TYXSZNGDCCGIBO-UHFFFAOYSA-N 0 0 223.319 4.619 10 0 in-vivo BJAERN CCC(C)(C)C(=O)c1csc2ccccc12 ZINC000054402106 363076127 /nfs/dbraw/zinc/07/61/27/363076127.db2.gz FUGIQRZAVILNMP-UHFFFAOYSA-N 0 0 232.348 4.520 10 0 BJAERN CCCCCC(=O)c1cccc2ccccc21 ZINC000054438498 388594046 /nfs/dbraw/zinc/59/40/46/388594046.db2.gz KLTWJOFUMZCJTQ-UHFFFAOYSA-N 0 0 226.319 4.603 10 0 BJAERN CC(C)(C)CC[C@H](O)c1ccc2ccccc2c1 ZINC000054440250 166576439 /nfs/dbraw/zinc/57/64/39/166576439.db2.gz JVULLGOMUMXECR-INIZCTEOSA-N 0 0 242.362 4.700 10 0 BJAERN C[C@H](S[C@H]1CCC[C@@H](C)C1)c1ccc(N)cc1 ZINC000054689742 177028254 /nfs/dbraw/zinc/02/82/54/177028254.db2.gz VAXYNJMBCHAZTD-XUJVJEKNSA-N 0 0 249.423 4.642 10 0 BJAERN C[C@H](S[C@@H]1CCC[C@@H](C)C1)c1ccc(N)cc1 ZINC000054689746 177028537 /nfs/dbraw/zinc/02/85/37/177028537.db2.gz VAXYNJMBCHAZTD-TYNCELHUSA-N 0 0 249.423 4.642 10 0 BJAERN CC(C)=CCC[C@@]1(C)[C@@H]2C=C(C)CC[C@@H]21 ZINC000056874344 560083208 /nfs/dbraw/zinc/08/32/08/560083208.db2.gz MZOWOHKNFKJFFD-RRFJBIMHSA-N 0 0 204.357 4.725 10 0 biogenic,in-vitro BJAERN Fc1ccc(-c2c[nH]c3ccc(Cl)cc32)cc1 ZINC000059051545 180957002 /nfs/dbraw/zinc/95/70/02/180957002.db2.gz XRTGRVRPFBPACT-UHFFFAOYSA-N 0 0 245.684 4.627 10 0 BJAERN FC(F)=C(c1ccc(Cl)cc1)C(F)(F)F ZINC000059124781 347227221 /nfs/dbraw/zinc/22/72/21/347227221.db2.gz VNRLHCIQDDYJQJ-UHFFFAOYSA-N 0 0 242.574 4.510 10 0 BJAERN FC(F)(F)c1ccc2c(c1)oc1ccccc12 ZINC000059152882 347227314 /nfs/dbraw/zinc/22/73/14/347227314.db2.gz HXKBQRPHBSMAAS-UHFFFAOYSA-N 0 0 236.192 4.605 10 0 BJAERN CC1=C[C@H]2C(=C(C)CC[C@H]2C(C)C)CC1 ZINC000059193058 168131981 /nfs/dbraw/zinc/13/19/81/168131981.db2.gz FUCYIEXQVQJBKY-DZGCQCFKSA-N 0 0 204.357 4.725 10 0 endogenous,in-man BJAERN CC(C)C1=CC2=C(CC[C@@H]2C)[C@H](C)CC1 ZINC000059200498 571770781 /nfs/dbraw/zinc/77/07/81/571770781.db2.gz YLPOFTFBOIPYLE-NEPJUHHUSA-N 0 0 204.357 4.725 10 0 endogenous,in-man BJAERN CC(C)C1=CC2=C(CC[C@@H]2C)[C@@H](C)CC1 ZINC000059200500 571771063 /nfs/dbraw/zinc/77/10/63/571771063.db2.gz YLPOFTFBOIPYLE-RYUDHWBXSA-N 0 0 204.357 4.725 10 0 endogenous,in-man BJAERN CC(C)C1=CC2=C(CC[C@H]2C)[C@H](C)CC1 ZINC000059200502 571770860 /nfs/dbraw/zinc/77/08/60/571770860.db2.gz YLPOFTFBOIPYLE-VXGBXAGGSA-N 0 0 204.357 4.725 10 0 endogenous,in-man BJAERN CC(C)C1=CC2=C(CC[C@H]2C)[C@@H](C)CC1 ZINC000059200503 571770834 /nfs/dbraw/zinc/77/08/34/571770834.db2.gz YLPOFTFBOIPYLE-NWDGAFQWSA-N 0 0 204.357 4.725 10 0 endogenous,in-man BJAERN CCC(C)(C)c1cc(C(C)C)ccc1C ZINC000059330816 349204256 /nfs/dbraw/zinc/20/42/56/349204256.db2.gz LNWVNCBMLDHYBR-UHFFFAOYSA-N 0 0 204.357 4.806 10 0 BJAERN c1ccc(C(c2ccccc2)c2ccccc2)cc1 ZINC000059523732 372194122 /nfs/dbraw/zinc/19/41/22/372194122.db2.gz BPINQDBQLXHTHG-UHFFFAOYSA-N 0 0 243.329 4.706 10 0 BJAERN Cc1cc2occ(-c3ccccc3)c2c(C)c1 ZINC000059572962 347230397 /nfs/dbraw/zinc/23/03/97/347230397.db2.gz IOEJNOKDVNQYMN-UHFFFAOYSA-N 0 0 222.287 4.717 10 0 BJAERN CC(C)=CCC[C@H](C)c1ccc(C)cc1 ZINC000059585871 290800892 /nfs/dbraw/zinc/80/08/92/290800892.db2.gz VMYXUZSZMNBRCN-AWEZNQCLSA-N 0 0 202.341 4.845 10 0 biogenic,in-man BJAERN Cc1ccc2c(c1)[C@@H](C(C)C)CC[C@@H]2C ZINC000059587184 385052162 /nfs/dbraw/zinc/05/21/62/385052162.db2.gz PGTJIOWQJWHTJJ-QWHCGFSZSA-N 0 0 202.341 4.632 10 0 biogenic,in-man BJAERN CC(C)=CCC[C@]1(C)[C@@H]2C[C@H]1C(C)=CC2 ZINC000059587970 385051902 /nfs/dbraw/zinc/05/19/02/385051902.db2.gz YMBFCQPIMVLNIU-SOUVJXGZSA-N 0 0 204.357 4.725 10 0 biogenic,in-vitro BJAERN CC1=C2C=C(C(C)C)CC[C@@]2(C)CCC1 ZINC000059588801 168089191 /nfs/dbraw/zinc/08/91/91/168089191.db2.gz VEGYMPQCXPVQJY-OAHLLOKOSA-N 0 0 204.357 4.869 10 0 biogenic,in-vitro BJAERN C[C@H]1CCC2=C1C[C@H]1CC[C@]2(C)C1(C)C ZINC000059589088 177069303 /nfs/dbraw/zinc/06/93/03/177069303.db2.gz CSKINCSXMLCMAR-RWSFTLGLSA-N 0 0 204.357 4.559 10 0 biogenic,in-man BJAERN CC1=C[C@H]2C(=C(C)CCCC2(C)C)CC1 ZINC000059589197 168131612 /nfs/dbraw/zinc/13/16/12/168131612.db2.gz LCOSCMLXPAQCLQ-AWEZNQCLSA-N 0 0 204.357 4.869 10 0 biogenic,in-vitro BJAERN CC(C)/C=C\C1=CC2=C(C1)Cc1ccccc12 ZINC000059606966 640820892 /nfs/dbraw/zinc/82/08/92/640820892.db2.gz ICUCHTYRMWSOBE-FPLPWBNLSA-N 0 0 222.331 4.539 10 0 BJAERN CC1(C)CC(c2ccccc2O)CC(C)(C)C1 ZINC000059754871 368336150 /nfs/dbraw/zinc/33/61/50/368336150.db2.gz DFNNCKNUISMMAA-UHFFFAOYSA-N 0 0 232.367 4.712 10 0 BJAERN Cc1cccc(N)c1C1=CC(C)(C)CC(C)(C)C1 ZINC000059755162 343713111 /nfs/dbraw/zinc/71/31/11/343713111.db2.gz NHLNHMXXIZUGDP-UHFFFAOYSA-N 0 0 243.394 4.807 10 0 BJAERN CC1(C)C=C(c2ccccc2O)CC(C)(C)C1 ZINC000059755524 347229649 /nfs/dbraw/zinc/22/96/49/347229649.db2.gz AZSFAXOKHURLSV-UHFFFAOYSA-N 0 0 230.351 4.622 10 0 BJAERN CC1=C2C[C@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C ZINC000059778521 560082217 /nfs/dbraw/zinc/08/22/17/560082217.db2.gz RTBLDXVIGWSICW-JMSVASOKSA-N 0 0 204.357 4.559 10 0 biogenic,in-vitro BJAERN CC1=C[C@@H]2[C@@H](CC1)C(C)=CCCC2(C)C ZINC000059778561 342862421 /nfs/dbraw/zinc/86/24/21/342862421.db2.gz PUWNTRHCKNHSAT-UONOGXRCSA-N 0 0 204.357 4.725 10 0 endogenous,in-man BJAERN CC1=C[C@H]2[C@@H](CC1)C(C)=CCCC2(C)C ZINC000059778565 290801762 /nfs/dbraw/zinc/80/17/62/290801762.db2.gz PUWNTRHCKNHSAT-KBPBESRZSA-N 0 0 204.357 4.725 10 0 endogenous,in-man BJAERN CC1=C[C@@H]2[C@H](CC1)C(C)=CCCC2(C)C ZINC000059778570 342862458 /nfs/dbraw/zinc/86/24/58/342862458.db2.gz PUWNTRHCKNHSAT-ZIAGYGMSSA-N 0 0 204.357 4.725 10 0 endogenous,in-man BJAERN CC1=C[C@H]2[C@H](CC1)C(C)=CCCC2(C)C ZINC000059778576 342862616 /nfs/dbraw/zinc/86/26/16/342862616.db2.gz PUWNTRHCKNHSAT-KGLIPLIRSA-N 0 0 204.357 4.725 10 0 endogenous,in-man BJAERN Cc1ccc(-c2ccc3ccccc3c2)cc1 ZINC000059997463 178325577 /nfs/dbraw/zinc/32/55/77/178325577.db2.gz ZXXGUXICWKNYJD-UHFFFAOYSA-N 0 0 218.299 4.815 10 0 BJAERN Cc1cc2sc(-c3ccccc3)nc2c(C)c1 ZINC000060074329 177885725 /nfs/dbraw/zinc/88/57/25/177885725.db2.gz LDLKYCWFFUBXPK-UHFFFAOYSA-N 0 0 239.343 4.580 10 0 BJAERN Clc1ccc2c(c1)N=Cc1ccccc1S2 ZINC000060122895 349272399 /nfs/dbraw/zinc/27/23/99/349272399.db2.gz YMUMLLZAAZGITA-UHFFFAOYSA-N 0 0 245.734 4.555 10 0 BJAERN CC(C)(C)c1ccc([C@@H]2CCCCCC2=O)cc1 ZINC000060711071 640879349 /nfs/dbraw/zinc/87/93/49/640879349.db2.gz QDLSFDWHRFLKPO-HNNXBMFYSA-N 0 0 244.378 4.601 10 0 BJAERN CC(C)(C)c1ccc([C@H]2CCCCCC2=O)cc1 ZINC000060711074 640880306 /nfs/dbraw/zinc/88/03/06/640880306.db2.gz QDLSFDWHRFLKPO-OAHLLOKOSA-N 0 0 244.378 4.601 10 0 BJAERN Cc1ccccc1N[C@@H]1CCCc2sccc21 ZINC000061324830 384754895 /nfs/dbraw/zinc/75/48/95/384754895.db2.gz YGHNRIJPHSGVPO-CQSZACIVSA-N 0 0 243.375 4.546 10 0 BJAERN Cc1ccccc1N[C@H]1CCCc2sccc21 ZINC000061324833 384756765 /nfs/dbraw/zinc/75/67/65/384756765.db2.gz YGHNRIJPHSGVPO-AWEZNQCLSA-N 0 0 243.375 4.546 10 0 BJAERN CC(C)c1sc(Cl)nc1-c1ccccc1 ZINC000061714242 345845748 /nfs/dbraw/zinc/84/57/48/345845748.db2.gz RVUZMOJKKSMHEW-UHFFFAOYSA-N 0 0 237.755 4.587 10 0 BJAERN CC(C)=CCC[C@@H](C)[C@@H]1C=CC(C)=CC1 ZINC000062233813 188303596 /nfs/dbraw/zinc/30/35/96/188303596.db2.gz KKOXKGNSUHTUBV-HUUCEWRRSA-N 0 0 204.357 4.891 10 0 endogenous,in-man BJAERN CC1=CC=C([C@]2(C)CCCC2(C)C)CC1 ZINC000062237766 290801583 /nfs/dbraw/zinc/80/15/83/290801583.db2.gz DYQFFTPJVWEYMH-HNNXBMFYSA-N 0 0 204.357 4.869 10 0 biogenic,in-vitro BJAERN CC(C)c1ccc2oc(-c3ccccc3)nc2c1 ZINC000062532464 167629040 /nfs/dbraw/zinc/62/90/40/167629040.db2.gz OTUNCUKWRISGEK-UHFFFAOYSA-N 0 0 237.302 4.618 10 0 BJAERN Cc1ccc2c(Cl)c(Cl)cc(Cl)c2n1 ZINC000062622453 178940284 /nfs/dbraw/zinc/94/02/84/178940284.db2.gz OJQJTMYTXJPUJG-UHFFFAOYSA-N 0 0 246.524 4.503 10 0 BJAERN CCCCCCC(=O)C1(c2ccccc2)CCC1 ZINC000062780608 188303165 /nfs/dbraw/zinc/30/31/65/188303165.db2.gz GOXWQWYWNOLLKW-UHFFFAOYSA-N 0 0 244.378 4.648 10 0 BJAERN CC[C@H](C)CC(=O)C1(c2ccccc2)CCCC1 ZINC000062782496 171257686 /nfs/dbraw/zinc/25/76/86/171257686.db2.gz ZGJHKTMDWPFAEZ-AWEZNQCLSA-N 0 0 244.378 4.504 10 0 BJAERN c1cc(CNc2ccccc2-c2ccccc2)co1 ZINC000063046555 183381422 /nfs/dbraw/zinc/38/14/22/183381422.db2.gz MVUZVRKVIFKJPP-UHFFFAOYSA-N 0 0 249.313 4.559 10 0 BJAERN c1cc(CNc2ccc(-c3ccccc3)cc2)co1 ZINC000063047157 183379525 /nfs/dbraw/zinc/37/95/25/183379525.db2.gz MSFFZFNQCNFZCS-UHFFFAOYSA-N 0 0 249.313 4.559 10 0 BJAERN Cc1cc2cc(Cl)cc(Cl)c2nc1Cl ZINC000063116153 351211736 /nfs/dbraw/zinc/21/17/36/351211736.db2.gz VYPQAMZJBYZUPP-UHFFFAOYSA-N 0 0 246.524 4.503 10 0 BJAERN CC1=C[C@H]2C(=CC1)[C@@H](C)CC[C@@H]2C(C)C ZINC000064634150 168131751 /nfs/dbraw/zinc/13/17/51/168131751.db2.gz JUQGWBAOQUBVFP-GZBFAFLISA-N 0 0 204.357 4.581 10 0 in-vitro BJAERN Cc1cc(-c2ccc3ccccc3c2)ccc1O ZINC000065340432 177683832 /nfs/dbraw/zinc/68/38/32/177683832.db2.gz YFQUBVZWLRTWCP-UHFFFAOYSA-N 0 0 234.298 4.521 10 0 BJAERN Cc1ccc(-c2ccc3ccccc3c2)cc1O ZINC000065340433 178325951 /nfs/dbraw/zinc/32/59/51/178325951.db2.gz CDWWLNDVZBPDHU-UHFFFAOYSA-N 0 0 234.298 4.521 10 0 BJAERN Cc1cc(O)cc(-c2ccc3ccccc3c2)c1 ZINC000065340434 187958596 /nfs/dbraw/zinc/95/85/96/187958596.db2.gz NQEIEVXWKQJEQP-UHFFFAOYSA-N 0 0 234.298 4.521 10 0 BJAERN Cc1ccc(-c2cc3ccccc3s2)cc1O ZINC000065340451 178322139 /nfs/dbraw/zinc/32/21/39/178322139.db2.gz ALUYVYWFXSXLJJ-UHFFFAOYSA-N 0 0 240.327 4.582 10 0 BJAERN Cc1ccc(-c2cccc3ccccc32)cc1O ZINC000065340499 178326907 /nfs/dbraw/zinc/32/69/07/178326907.db2.gz SAQWQAQMHWIPPS-UHFFFAOYSA-N 0 0 234.298 4.521 10 0 BJAERN CCC[C@@H](C)[C@@H](c1ccc(O)cc1)C(C)C ZINC000065743361 169372012 /nfs/dbraw/zinc/37/20/12/169372012.db2.gz KQABNOBNXAJBFQ-DOMZBBRYSA-N 0 0 220.356 4.568 10 0 in-vitro BJAERN CCC[C@H](C)[C@@H](c1ccc(O)cc1)C(C)C ZINC000065743362 388678083 /nfs/dbraw/zinc/67/80/83/388678083.db2.gz KQABNOBNXAJBFQ-WFASDCNBSA-N 0 0 220.356 4.568 10 0 in-vitro BJAERN CCC[C@@H](C)[C@H](c1ccc(O)cc1)C(C)C ZINC000065743363 169373675 /nfs/dbraw/zinc/37/36/75/169373675.db2.gz KQABNOBNXAJBFQ-IUODEOHRSA-N 0 0 220.356 4.568 10 0 in-vitro BJAERN CCC[C@H](C)[C@H](c1ccc(O)cc1)C(C)C ZINC000065743364 388678806 /nfs/dbraw/zinc/67/88/06/388678806.db2.gz KQABNOBNXAJBFQ-SWLSCSKDSA-N 0 0 220.356 4.568 10 0 in-vitro BJAERN Clc1ccc2cc(Cl)cc(Cl)c2c1 ZINC000065748937 180575080 /nfs/dbraw/zinc/57/50/80/180575080.db2.gz CFEUGIGSIREATC-UHFFFAOYSA-N 0 0 231.509 4.800 10 0 in-vitro BJAERN Clc1ccc2cc(Cl)c(Cl)cc2c1 ZINC000065748938 180587840 /nfs/dbraw/zinc/58/78/40/180587840.db2.gz ZYTLBFKRYKUCMJ-UHFFFAOYSA-N 0 0 231.509 4.800 10 0 in-vitro BJAERN Cc1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000066314853 179235271 /nfs/dbraw/zinc/23/52/71/179235271.db2.gz UBTSZISDJIMIDF-UHFFFAOYSA-N 0 0 236.236 4.681 10 0 BJAERN Cc1ccccc1-c1cccc(C(F)(F)F)c1 ZINC000066314856 179237120 /nfs/dbraw/zinc/23/71/20/179237120.db2.gz FUHUNCSPOBIZFB-UHFFFAOYSA-N 0 0 236.236 4.681 10 0 BJAERN Cc1ccccc1-c1ccccc1C(F)(F)F ZINC000066314862 179237353 /nfs/dbraw/zinc/23/73/53/179237353.db2.gz ILELRQCKXAXPJH-UHFFFAOYSA-N 0 0 236.236 4.681 10 0 BJAERN Cc1cc(C)c(/C=C/c2ccccc2)c(C)c1 ZINC000066377804 349875575 /nfs/dbraw/zinc/87/55/75/349875575.db2.gz QVYIUYLZHORTBT-MDZDMXLPSA-N 0 0 222.331 4.782 10 0 BJAERN Clc1cccc(/C=C/c2ccccc2)c1 ZINC000067738770 349899276 /nfs/dbraw/zinc/89/92/76/349899276.db2.gz LLSLQJAZJCNYQW-MDZDMXLPSA-N 0 0 214.695 4.510 10 0 BJAERN Cc1ccccc1-c1cccc2ccccc21 ZINC000067738790 179236640 /nfs/dbraw/zinc/23/66/40/179236640.db2.gz DRFPSPRQWNZEMK-UHFFFAOYSA-N 0 0 218.299 4.815 10 0 BJAERN Cc1ccsc1[C@H](C)Nc1ccccc1C ZINC000069635951 324960386 /nfs/dbraw/zinc/96/03/86/324960386.db2.gz PCTQEAWYJQFELE-LBPRGKRZSA-N 0 0 231.364 4.538 10 0 BJAERN Cc1ccsc1[C@@H](C)Nc1ccccc1C ZINC000069635952 324960513 /nfs/dbraw/zinc/96/05/13/324960513.db2.gz PCTQEAWYJQFELE-GFCCVEGCSA-N 0 0 231.364 4.538 10 0 BJAERN Cc1ccc(C)c(CNc2cc(C)ccc2C)c1 ZINC000070138580 178474677 /nfs/dbraw/zinc/47/46/77/178474677.db2.gz YOFLSBCPHXTLKJ-UHFFFAOYSA-N 0 0 239.362 4.532 10 0 BJAERN Cc1ccc(C)c(CNc2cccc(Cl)c2)c1 ZINC000070138622 178476106 /nfs/dbraw/zinc/47/61/06/178476106.db2.gz SRSPLXZCVYETFU-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN Cc1cc(C)cc(CNc2ccc(Cl)cc2)c1 ZINC000070138631 177901731 /nfs/dbraw/zinc/90/17/31/177901731.db2.gz POXPCTHUMCRQBW-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN Cc1ccc(NCc2cc(C)ccc2C)c(C)c1 ZINC000070160070 178762412 /nfs/dbraw/zinc/76/24/12/178762412.db2.gz IDJZTLDZGPUVIJ-UHFFFAOYSA-N 0 0 239.362 4.532 10 0 BJAERN Cc1ccccc1COc1ccccc1C(C)C ZINC000070236354 179287268 /nfs/dbraw/zinc/28/72/68/179287268.db2.gz CELOHXKYDIDJNO-UHFFFAOYSA-N 0 0 240.346 4.697 10 0 BJAERN Cc1ccc(OCc2cccc(Cl)c2)c(C)c1 ZINC000070236358 398129511 /nfs/dbraw/zinc/12/95/11/398129511.db2.gz OFEFPNMMGUUDRX-UHFFFAOYSA-N 0 0 246.737 4.536 10 0 BJAERN CC(C)c1ccc(OCc2ccccc2F)cc1 ZINC000070236381 398129495 /nfs/dbraw/zinc/12/94/95/398129495.db2.gz ZZPUMNGCPMKZFZ-UHFFFAOYSA-N 0 0 244.309 4.528 10 0 BJAERN Cc1ccc(COc2ccc(C(C)C)cc2)cc1 ZINC000070236389 188488451 /nfs/dbraw/zinc/48/84/51/188488451.db2.gz NCQYLXJTMHHPBY-UHFFFAOYSA-N 0 0 240.346 4.697 10 0 BJAERN CC(C)c1ccc(OCc2cccc(F)c2)cc1 ZINC000070236391 398129428 /nfs/dbraw/zinc/12/94/28/398129428.db2.gz QRLKTTKIFJSCJU-UHFFFAOYSA-N 0 0 244.309 4.528 10 0 BJAERN Cc1cccc(OCc2cccc3ccccc32)c1 ZINC000070236494 187275016 /nfs/dbraw/zinc/27/50/16/187275016.db2.gz AWIUTBQWUZLQOW-UHFFFAOYSA-N 0 0 248.325 4.727 10 0 BJAERN CC(C)(C)c1ccc(COc2ccccc2)cc1 ZINC000070236540 384090028 /nfs/dbraw/zinc/09/00/28/384090028.db2.gz CKVHVGLNLAULJA-UHFFFAOYSA-N 0 0 240.346 4.563 10 0 BJAERN Cc1ccccc1COc1cccc2ccccc21 ZINC000070236604 179286971 /nfs/dbraw/zinc/28/69/71/179286971.db2.gz OIVVNPOLLAVIAF-UHFFFAOYSA-N 0 0 248.325 4.727 10 0 BJAERN Cc1cccc(COc2ccccc2C(C)C)c1 ZINC000070238257 188305140 /nfs/dbraw/zinc/30/51/40/188305140.db2.gz KGSZZPMXZFMNGE-UHFFFAOYSA-N 0 0 240.346 4.697 10 0 BJAERN Cc1cccc(COc2ccc(C(C)C)cc2)c1 ZINC000070238259 188304623 /nfs/dbraw/zinc/30/46/23/188304623.db2.gz UTRLWDSCBKQTNB-UHFFFAOYSA-N 0 0 240.346 4.697 10 0 BJAERN CC(C)c1ccc(COc2ccccc2F)cc1 ZINC000070238300 167599349 /nfs/dbraw/zinc/59/93/49/167599349.db2.gz IVOIXPHDMIMIAT-UHFFFAOYSA-N 0 0 244.309 4.528 10 0 BJAERN Cc1ccc(OCc2ccc(C(C)C)cc2)cc1 ZINC000070238302 384090925 /nfs/dbraw/zinc/09/09/25/384090925.db2.gz GNHHZMCGHFVASU-UHFFFAOYSA-N 0 0 240.346 4.697 10 0 BJAERN CC(C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000070268533 384097163 /nfs/dbraw/zinc/09/71/63/384097163.db2.gz GWGMIURBISJJQP-UHFFFAOYSA-N 0 0 244.309 4.528 10 0 BJAERN CC(C)(C)CC(=O)c1ccc(F)c2ccccc12 ZINC000070372600 374139752 /nfs/dbraw/zinc/13/97/52/374139752.db2.gz CSESUMXUSTYIRO-UHFFFAOYSA-N 0 0 244.309 4.598 10 0 BJAERN CCC(C)(C)C(=O)c1ccc(F)c2ccccc12 ZINC000070372603 374139342 /nfs/dbraw/zinc/13/93/42/374139342.db2.gz KOTAARMXTNMDRV-UHFFFAOYSA-N 0 0 244.309 4.598 10 0 BJAERN CCC(CC)C(=O)c1ccc(F)c2ccccc12 ZINC000070372688 374139268 /nfs/dbraw/zinc/13/92/68/374139268.db2.gz MUEHGSNVXMWWCD-UHFFFAOYSA-N 0 0 244.309 4.598 10 0 BJAERN CCC[C@@H](C)C(=O)c1ccc(F)c2ccccc12 ZINC000070372689 374140466 /nfs/dbraw/zinc/14/04/66/374140466.db2.gz XELZYJPVZKNBST-LLVKDONJSA-N 0 0 244.309 4.598 10 0 BJAERN CCC[C@H](C)C(=O)c1ccc(F)c2ccccc12 ZINC000070372690 374140459 /nfs/dbraw/zinc/14/04/59/374140459.db2.gz XELZYJPVZKNBST-NSHDSACASA-N 0 0 244.309 4.598 10 0 BJAERN CC1=C[C@H]2[C@@H](CC1)C(C)=CC[C@H]2C(C)C ZINC000070454244 290801745 /nfs/dbraw/zinc/80/17/45/290801745.db2.gz QMAYBMKBYCGXDH-SOUVJXGZSA-N 0 0 204.357 4.581 10 0 biogenic,in-vitro BJAERN CC(C)=C[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C21 ZINC000070455005 560047641 /nfs/dbraw/zinc/04/76/41/560047641.db2.gz MZZFDMZYIBWOOA-KWCYVHTRSA-N 0 0 204.357 4.725 10 0 biogenic,in-vitro BJAERN Cc1ccc2c(c1)[C@@H](C(C)C)CC=C2C ZINC000070455184 571780342 /nfs/dbraw/zinc/78/03/42/571780342.db2.gz CUUMXRBKJIDIAY-CYBMUJFWSA-N 0 0 200.325 4.542 10 0 endogenous,in-man BJAERN c1sc2ccccc2c1C1=CCCCC1 ZINC000070632469 188469312 /nfs/dbraw/zinc/46/93/12/188469312.db2.gz MDZXESLJYSSYDA-UHFFFAOYSA-N 0 0 214.333 4.859 10 0 BJAERN CC[C@H]1CCCC[C@H]1Nc1cc(F)ccc1C ZINC000070977640 171612685 /nfs/dbraw/zinc/61/26/85/171612685.db2.gz JKDYPCPBKCSMGH-GXTWGEPZSA-N 0 0 235.346 4.515 10 0 BJAERN CC(C)(C)CCNc1cc(Cl)ccc1Cl ZINC000071085566 166571956 /nfs/dbraw/zinc/57/19/56/166571956.db2.gz CXIBUXWRSNHKLF-UHFFFAOYSA-N 0 0 246.181 4.842 10 0 BJAERN CC(C)(C)CCNc1ccc(Cl)cc1Cl ZINC000071085596 166573136 /nfs/dbraw/zinc/57/31/36/166573136.db2.gz MDQAHXKVDPKNQA-UHFFFAOYSA-N 0 0 246.181 4.842 10 0 BJAERN CC(C)(C)CCNc1cc(Cl)cc(Cl)c1 ZINC000071085626 166573214 /nfs/dbraw/zinc/57/32/14/166573214.db2.gz QOIWRSKETMBXDB-UHFFFAOYSA-N 0 0 246.181 4.842 10 0 BJAERN CC(C)c1ccc(NCCC(C)(C)C)cc1 ZINC000071085631 167604241 /nfs/dbraw/zinc/60/42/41/167604241.db2.gz LPRCBJUJYGVSJU-UHFFFAOYSA-N 0 0 219.372 4.658 10 0 BJAERN CCCC(CCC)Nc1ccc(F)c(C)c1 ZINC000071106739 350086572 /nfs/dbraw/zinc/08/65/72/350086572.db2.gz VJEGASRJROXFCD-UHFFFAOYSA-N 0 0 223.335 4.515 10 0 BJAERN Cc1ccsc1C(=O)C[C@@H](C)CC(C)(C)C ZINC000071126409 374250421 /nfs/dbraw/zinc/25/04/21/374250421.db2.gz GRVQTBWTFVDDJV-SNVBAGLBSA-N 0 0 238.396 4.702 10 0 BJAERN Cc1ccsc1C(=O)C[C@H](C)CC(C)(C)C ZINC000071126410 374250023 /nfs/dbraw/zinc/25/00/23/374250023.db2.gz GRVQTBWTFVDDJV-JTQLQIEISA-N 0 0 238.396 4.702 10 0 BJAERN CCc1ccc2c(c1)Sc1ccccc1S2 ZINC000071260630 388275350 /nfs/dbraw/zinc/27/53/50/388275350.db2.gz KYXPHQJRLKJHMU-UHFFFAOYSA-N 0 0 244.384 4.865 10 0 BJAERN Cc1ccccc1Nc1cccc2ccccc21 ZINC000071619110 347250634 /nfs/dbraw/zinc/25/06/34/347250634.db2.gz JHYLYMGVNAQPKZ-UHFFFAOYSA-N 0 0 233.314 4.892 10 0 BJAERN CC(C)c1csc(-c2ccccc2Cl)n1 ZINC000071671010 187260133 /nfs/dbraw/zinc/26/01/33/187260133.db2.gz FJNSJCHTCSKBRQ-UHFFFAOYSA-N 0 0 237.755 4.587 10 0 BJAERN C(=C/C=C\c1ccccc1)\C=C/c1ccccc1 ZINC000071789412 166227969 /nfs/dbraw/zinc/22/79/69/166227969.db2.gz BOBLSBAZCVBABY-FJJINHQHSA-N 0 0 232.326 4.969 10 0 BJAERN C(/C=C/c1ccccc1)=C\C=C/c1ccccc1 ZINC000071789413 166228067 /nfs/dbraw/zinc/22/80/67/166228067.db2.gz BOBLSBAZCVBABY-WSRJZADISA-N 0 0 232.326 4.969 10 0 BJAERN Cc1ccc(/C=C\c2c(F)cccc2Cl)cc1 ZINC000071790023 178357691 /nfs/dbraw/zinc/35/76/91/178357691.db2.gz AKBITDYLEKWRTF-KTKRTIGZSA-N 0 0 246.712 4.958 10 0 BJAERN Brc1sccc1C1CCCCC1 ZINC000072191881 166108650 /nfs/dbraw/zinc/10/86/50/166108650.db2.gz PQFJXHGQCXKIAA-UHFFFAOYSA-N 0 0 245.185 4.558 10 0 BJAERN Brc1ccc(C2CCCCC2)s1 ZINC000072192308 166098120 /nfs/dbraw/zinc/09/81/20/166098120.db2.gz GPJLGNYDQPJERP-UHFFFAOYSA-N 0 0 245.185 4.558 10 0 BJAERN CCCCc1ccc(Nc2ccccc2)cc1 ZINC000072266064 169021876 /nfs/dbraw/zinc/02/18/76/169021876.db2.gz YXHPHOIIKDVNPT-UHFFFAOYSA-N 0 0 225.335 4.773 10 0 BJAERN Cc1ccc(-c2nc3ccccc3s2)c(C)c1 ZINC000073639794 178337168 /nfs/dbraw/zinc/33/71/68/178337168.db2.gz RWNPIJCYMFHTLQ-UHFFFAOYSA-N 0 0 239.343 4.580 10 0 BJAERN CC[C@@H](C)c1ccc(C2CCCC2)cc1 ZINC000075841072 170804544 /nfs/dbraw/zinc/80/45/44/170804544.db2.gz BJDGWKMFSBDXKH-GFCCVEGCSA-N 0 0 202.341 4.858 10 0 BJAERN c1sc(C2CCCCC2)nc1-c1ccccc1 ZINC000075841287 183382546 /nfs/dbraw/zinc/38/25/46/183382546.db2.gz VNUOIPKUXCYLEO-UHFFFAOYSA-N 0 0 243.375 4.858 10 0 BJAERN C(/C=C\c1cccs1)=C/c1cccs1 ZINC000077039945 166225482 /nfs/dbraw/zinc/22/54/82/166225482.db2.gz SEIGKYBFMXSLAH-IOBHVTPZSA-N 0 0 218.346 4.536 10 0 BJAERN C(=C/c1cccs1)\C=C/c1cccs1 ZINC000077039950 166227673 /nfs/dbraw/zinc/22/76/73/166227673.db2.gz SEIGKYBFMXSLAH-SOSXVSKCSA-N 0 0 218.346 4.536 10 0 BJAERN Cc1ccc(C)c2c(C(C)C)cc(Cl)nc12 ZINC000077255205 384901541 /nfs/dbraw/zinc/90/15/41/384901541.db2.gz BHHNTRYUSNABMR-UHFFFAOYSA-N 0 0 233.742 4.628 10 0 BJAERN C/C(=C\CO)CCC[C@H](C)CCCC(C)C ZINC000078320234 347403762 /nfs/dbraw/zinc/40/37/62/347403762.db2.gz HNZBNQYXWOLKBA-XDPMZMSMSA-N 0 0 226.404 4.558 10 0 BJAERN CC(C)c1ccccc1CCc1ccccc1 ZINC000078921816 167639517 /nfs/dbraw/zinc/63/95/17/167639517.db2.gz WOPCYTAIGVBCKZ-UHFFFAOYSA-N 0 0 224.347 4.595 10 0 BJAERN Cc1ccc(-c2ccnc(-c3ccccc3)c2)cc1 ZINC000079465229 178327436 /nfs/dbraw/zinc/32/74/36/178327436.db2.gz UJRVBGVVJVIAEX-UHFFFAOYSA-N 0 0 245.325 4.724 10 0 BJAERN CC(C)c1ccc(/C=C\c2ccccc2)cc1 ZINC000079474597 384498444 /nfs/dbraw/zinc/49/84/44/384498444.db2.gz SYHLZZJWGVXLLZ-HJWRWDBZSA-N 0 0 222.331 4.980 10 0 BJAERN C/C(=C\CO)CCC[C@@H](C)CCCC(C)C ZINC000080225563 368484078 /nfs/dbraw/zinc/48/40/78/368484078.db2.gz HNZBNQYXWOLKBA-AYYGCFCKSA-N 0 0 226.404 4.558 10 0 BJAERN CC(C)C1=Cc2cccc(-c3ccccc3)c2C1 ZINC000080926928 368337560 /nfs/dbraw/zinc/33/75/60/368337560.db2.gz WGQVVQZBCJDGAH-UHFFFAOYSA-N 0 0 234.342 4.949 10 0 BJAERN CC[C@@H](C)Oc1ccc(Oc2ccccc2)cc1 ZINC000081199124 345899987 /nfs/dbraw/zinc/89/99/87/345899987.db2.gz LOSCHTPRGWJPCM-CYBMUJFWSA-N 0 0 242.318 4.656 10 0 BJAERN CC[C@H](C)Oc1ccc(Oc2ccccc2)cc1 ZINC000081199126 345899639 /nfs/dbraw/zinc/89/96/39/345899639.db2.gz LOSCHTPRGWJPCM-ZDUSSCGKSA-N 0 0 242.318 4.656 10 0 BJAERN CCCC[C@H](CC)Cn1ccc2ccccc21 ZINC000081219076 169000319 /nfs/dbraw/zinc/00/03/19/169000319.db2.gz BUIHQQHBTMFKCB-AWEZNQCLSA-N 0 0 229.367 4.858 10 0 BJAERN FC(F)(Cl)c1ccc(-c2ccccc2)cc1 ZINC000082034810 384645219 /nfs/dbraw/zinc/64/52/19/384645219.db2.gz PVKKKXVWKVAVEL-UHFFFAOYSA-N 0 0 238.664 4.642 10 0 BJAERN Cc1ccc(C(C)C)cc1OCc1ccccc1 ZINC000082237507 384652006 /nfs/dbraw/zinc/65/20/06/384652006.db2.gz PAVKXFJXDQJMAX-UHFFFAOYSA-N 0 0 240.346 4.697 10 0 BJAERN Clc1cc(Cl)cc(Nc2ccccc2)c1 ZINC000082714658 180575508 /nfs/dbraw/zinc/57/55/08/180575508.db2.gz RHCOKFKKJPTSKY-UHFFFAOYSA-N 0 0 238.117 4.737 10 0 BJAERN Cc1ccnc2c(Cl)cc(Cl)c(Cl)c12 ZINC000082788434 179471084 /nfs/dbraw/zinc/47/10/84/179471084.db2.gz JRVYDSUAOJVFNJ-UHFFFAOYSA-N 0 0 246.524 4.503 10 0 BJAERN Cc1cc(Cl)nc2c(Cl)cc(Cl)cc12 ZINC000082788493 178072940 /nfs/dbraw/zinc/07/29/40/178072940.db2.gz JUPDRFWQYZFQGV-UHFFFAOYSA-N 0 0 246.524 4.503 10 0 BJAERN Cc1cc(Cl)nc2cc(Cl)cc(Cl)c12 ZINC000082788499 178072627 /nfs/dbraw/zinc/07/26/27/178072627.db2.gz VFSKTTVSLLHSKW-UHFFFAOYSA-N 0 0 246.524 4.503 10 0 BJAERN Cc1c(Cl)ccc2c(Cl)cc(Cl)nc12 ZINC000082788820 177598006 /nfs/dbraw/zinc/59/80/06/177598006.db2.gz XDDAAIDZZRUCSY-UHFFFAOYSA-N 0 0 246.524 4.503 10 0 BJAERN Cc1cc(OCCCC(C)C)c(C(C)C)cc1N ZINC000083153853 178209535 /nfs/dbraw/zinc/20/95/35/178209535.db2.gz OKOJEZFVPYZRCZ-UHFFFAOYSA-N 0 0 249.398 4.516 10 0 BJAERN C(=C\c1ccccc1)\C/C=C\c1ccccc1 ZINC000083252747 166228705 /nfs/dbraw/zinc/22/87/05/166228705.db2.gz UORWAUAKEOUUND-SFGFDRCGSA-N 0 0 220.315 4.803 10 0 BJAERN C(=C/c1ccccc1)\C/C=C\c1ccccc1 ZINC000083252748 166227539 /nfs/dbraw/zinc/22/75/39/166227539.db2.gz UORWAUAKEOUUND-DJJIWSAGSA-N 0 0 220.315 4.803 10 0 BJAERN CC1=C[C@@H]2[C@@H](CC1)C(C)=CC[C@@H]2C(C)C ZINC000083260317 168126383 /nfs/dbraw/zinc/12/63/83/168126383.db2.gz QMAYBMKBYCGXDH-ILXRZTDVSA-N 0 0 204.357 4.581 10 0 endogenous,in-man BJAERN CC1=C[C@H]2[C@@H](C(C)C)CC=C(C)[C@H]2CC1 ZINC000083260318 168126252 /nfs/dbraw/zinc/12/62/52/168126252.db2.gz QMAYBMKBYCGXDH-KFWWJZLASA-N 0 0 204.357 4.581 10 0 endogenous,in-man BJAERN C/C=C\COc1ccc(OCCCCCC)cc1 ZINC000083328766 187284634 /nfs/dbraw/zinc/28/46/34/187284634.db2.gz QGVZNASWGRZIQD-XQRVVYSFSA-N 0 0 248.366 4.601 10 0 BJAERN CC(C)(C)CCNc1cccc2ccccc21 ZINC000083355665 166572825 /nfs/dbraw/zinc/57/28/25/166572825.db2.gz JEXBTSXFEWGQPG-UHFFFAOYSA-N 0 0 227.351 4.688 10 0 BJAERN CC(C)(C)CCNc1ccc(C(C)(C)C)cc1 ZINC000083360390 166573046 /nfs/dbraw/zinc/57/30/46/166573046.db2.gz GMXQNMNZIPEKPI-UHFFFAOYSA-N 0 0 233.399 4.832 10 0 BJAERN CCC[C@@H](C)CNc1c(CC)cccc1CC ZINC000083360391 169361137 /nfs/dbraw/zinc/36/11/37/169361137.db2.gz ATDYZSNOIASQGG-CYBMUJFWSA-N 0 0 233.399 4.660 10 0 BJAERN CCCCc1ccc(NCCC(C)(C)C)cc1 ZINC000083360399 169021962 /nfs/dbraw/zinc/02/19/62/169021962.db2.gz VACJWCXSHIBBDV-UHFFFAOYSA-N 0 0 233.399 4.877 10 0 BJAERN CCCNc1ccc(Oc2ccc(C)cc2)cc1 ZINC000083369626 169294761 /nfs/dbraw/zinc/29/47/61/169294761.db2.gz CDWXLERCISQOIJ-UHFFFAOYSA-N 0 0 241.334 4.609 10 0 BJAERN CC(C)(C)CCNc1cccc(C(F)(F)F)c1 ZINC000083373914 166572273 /nfs/dbraw/zinc/57/22/73/166572273.db2.gz FHXZVDOVQRERLP-UHFFFAOYSA-N 0 0 245.288 4.554 10 0 BJAERN Cc1cccc(C)c1CNc1cccc(Cl)c1 ZINC000083374636 179038400 /nfs/dbraw/zinc/03/84/00/179038400.db2.gz JWKURPDUIDSZAN-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN Cc1cccc(C)c1CNc1ccc(Cl)cc1 ZINC000083374638 179039418 /nfs/dbraw/zinc/03/94/18/179039418.db2.gz WNVXDCIYTYWREB-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN Cc1cccc(C)c1CNc1ccccc1Cl ZINC000083374640 179039434 /nfs/dbraw/zinc/03/94/34/179039434.db2.gz MELQSRFDZJGGQP-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN Cc1cccc(CNc2cc(C)ccc2Cl)c1 ZINC000083374649 179102101 /nfs/dbraw/zinc/10/21/01/179102101.db2.gz UFILOVAIWUWSBN-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN CC(C)(C)CCNc1c(Cl)cccc1Cl ZINC000083374707 166572043 /nfs/dbraw/zinc/57/20/43/166572043.db2.gz NMXDLBDLMMIAFO-UHFFFAOYSA-N 0 0 246.181 4.842 10 0 BJAERN CCC(CC)CNc1c(Cl)cccc1Cl ZINC000083374708 168364209 /nfs/dbraw/zinc/36/42/09/168364209.db2.gz WTSIKGIBJGGJGR-UHFFFAOYSA-N 0 0 246.181 4.842 10 0 BJAERN Cc1ccc2c(c1)C(C)(C)[C@H](C)CC2(C)C ZINC000084403397 384867274 /nfs/dbraw/zinc/86/72/74/384867274.db2.gz JIVANURAWUCQIG-GFCCVEGCSA-N 0 0 216.368 4.590 10 0 BJAERN Cc1ccc2c(c1)C(C)(C)[C@@H](C)CC2(C)C ZINC000084403398 384865722 /nfs/dbraw/zinc/86/57/22/384865722.db2.gz JIVANURAWUCQIG-LBPRGKRZSA-N 0 0 216.368 4.590 10 0 BJAERN CC(C)(C)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC000084558189 384878993 /nfs/dbraw/zinc/87/89/93/384878993.db2.gz KURDGLOIGPSJHQ-UHFFFAOYSA-N 0 0 245.753 4.700 10 0 BJAERN Cc1ccc2c(c1)[C@@H](C(C)C)CC[C@H]2C ZINC000085489337 384951551 /nfs/dbraw/zinc/95/15/51/384951551.db2.gz PGTJIOWQJWHTJJ-CHWSQXEVSA-N 0 0 202.341 4.632 10 0 biogenic,in-man BJAERN CC1(C)C=C[C@]23CCC[C@](C)(CC[C@@H]12)C3 ZINC000085491051 384953706 /nfs/dbraw/zinc/95/37/06/384953706.db2.gz MKZIRHIVARSBHI-CFVMTHIKSA-N 0 0 204.357 4.559 10 0 biogenic,in-vitro BJAERN CC1=C[C@@H]2C(=C(C)CC[C@@H]2C(C)C)CC1 ZINC000085600726 168126771 /nfs/dbraw/zinc/12/67/71/168126771.db2.gz FUCYIEXQVQJBKY-HIFRSBDPSA-N 0 0 204.357 4.725 10 0 endogenous,in-man BJAERN Cc1ccc2c(c1)[C@H](C(C)C)CC=C2C ZINC000085600895 168116853 /nfs/dbraw/zinc/11/68/53/168116853.db2.gz CUUMXRBKJIDIAY-ZDUSSCGKSA-N 0 0 200.325 4.542 10 0 endogenous,in-man BJAERN CC1=C2C=C(C(C)C)CC[C@@H](C)[C@@H]2CC1 ZINC000085826911 290801006 /nfs/dbraw/zinc/80/10/06/290801006.db2.gz HLXDFKWNOTZIEI-RISCZKNCSA-N 0 0 204.357 4.725 10 0 biogenic,in-vitro BJAERN Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C ZINC000085880350 178953637 /nfs/dbraw/zinc/95/36/37/178953637.db2.gz PGTJIOWQJWHTJJ-STQMWFEESA-N 0 0 202.341 4.632 10 0 biogenic,in-man BJAERN Cc1ccc2c(c1)[C@H](C(C)C)CC[C@H]2C ZINC000085880352 178953780 /nfs/dbraw/zinc/95/37/80/178953780.db2.gz PGTJIOWQJWHTJJ-OLZOCXBDSA-N 0 0 202.341 4.632 10 0 in-man BJAERN CCCSc1cccc(C)c1SCCC ZINC000086864282 169341388 /nfs/dbraw/zinc/34/13/88/169341388.db2.gz VGWXPAQFJOSIAL-UHFFFAOYSA-N 0 0 240.437 4.999 10 0 BJAERN CCCSc1coc(C)c1SCCC ZINC000086864283 169341590 /nfs/dbraw/zinc/34/15/90/169341590.db2.gz MIXOCJNSBZRZDR-UHFFFAOYSA-N 0 0 230.398 4.592 10 0 BJAERN CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@H]2C(C)C ZINC000087528988 168126283 /nfs/dbraw/zinc/12/62/83/168126283.db2.gz QMAYBMKBYCGXDH-ZNMIVQPWSA-N 0 0 204.357 4.581 10 0 endogenous,in-man BJAERN Fc1ccc(-c2cccc3sccc32)cc1 ZINC000089195305 383942316 /nfs/dbraw/zinc/94/23/16/383942316.db2.gz WWWHAXVFOJQVQY-UHFFFAOYSA-N 0 0 228.291 4.707 10 0 BJAERN CCC(CC)(CC)C(=O)c1cccc2cc[nH]c21 ZINC000089209181 168313116 /nfs/dbraw/zinc/31/31/16/168313116.db2.gz LUFMOVNJPBRGFZ-UHFFFAOYSA-N 0 0 243.350 4.567 10 0 BJAERN c1ccc2c(c1)CC[C@H]1[C@@H]3CCC[C@H]3CC[C@H]21 ZINC000090130798 345752159 /nfs/dbraw/zinc/75/21/59/345752159.db2.gz GBGFUQOSVTZLFA-SVGFKBNWSA-N 0 0 226.363 4.543 10 0 BJAERN CC1=C[C@]2(C)CCC[C@]23[C@@H](C)CC[C@@]13C ZINC000090373709 644589242 /nfs/dbraw/zinc/58/92/42/644589242.db2.gz SAOJPWFHRMUCFN-MXAVVETBSA-N 0 0 204.357 4.559 10 0 BJAERN Cc1cc(-c2cccs2)[nH]c1-c1cccs1 ZINC000090375956 177686868 /nfs/dbraw/zinc/68/68/68/177686868.db2.gz WIFINVVIAGBNRL-UHFFFAOYSA-N 0 0 245.372 4.780 10 0 BJAERN CC(C)=C1C[C@H]2[C@H](C1)C(C)=CCC[C@@H]2C ZINC000090396415 168104598 /nfs/dbraw/zinc/10/45/98/168104598.db2.gz UZBRCASTOVHNDC-NWANDNLSSA-N 0 0 204.357 4.725 10 0 BJAERN CC(C)=C1C[C@H]2C(C)=CCC[C@H](C)[C@H]2C1 ZINC000090396418 168104260 /nfs/dbraw/zinc/10/42/60/168104260.db2.gz UZBRCASTOVHNDC-AEGPPILISA-N 0 0 204.357 4.725 10 0 BJAERN CCc1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000090415613 343930186 /nfs/dbraw/zinc/93/01/86/343930186.db2.gz SLIOAQVQWDNBNB-UHFFFAOYSA-N 0 0 216.368 4.598 10 0 BJAERN Clc1ccc(Cc2ccccc2)cc1Cl ZINC000090487980 363092620 /nfs/dbraw/zinc/09/26/20/363092620.db2.gz IVCOQBLSLHKQNP-UHFFFAOYSA-N 0 0 237.129 4.584 10 0 BJAERN O[C@@H](c1cc2ccccc2s1)C1CCCCC1 ZINC000091301824 183184639 /nfs/dbraw/zinc/18/46/39/183184639.db2.gz HWPJFFPYTHYZKG-OAHLLOKOSA-N 0 0 246.375 4.515 10 0 BJAERN O[C@H](c1cc2ccccc2s1)C1CCCCC1 ZINC000091301825 183228203 /nfs/dbraw/zinc/22/82/03/183228203.db2.gz HWPJFFPYTHYZKG-HNNXBMFYSA-N 0 0 246.375 4.515 10 0 BJAERN Cc1ccc(C)c(Nc2c(C)cccc2C)c1 ZINC000091352042 384120574 /nfs/dbraw/zinc/12/05/74/384120574.db2.gz JFTTUWDLQCJLKV-UHFFFAOYSA-N 0 0 225.335 4.664 10 0 BJAERN CN(C)c1ccc(-c2cccc3ccccc32)cc1 ZINC000091352087 172548063 /nfs/dbraw/zinc/54/80/63/172548063.db2.gz VEXNITXCNXSHHK-UHFFFAOYSA-N 0 0 247.341 4.573 10 0 BJAERN FC(F)(F)c1ccc(/C=C\c2ccccc2)cc1 ZINC000091355959 384119752 /nfs/dbraw/zinc/11/97/52/384119752.db2.gz PTMWTBRUBHYQBO-SREVYHEPSA-N 0 0 248.247 4.876 10 0 BJAERN Fc1cccc2c1[C@H](c1ccc(Cl)cc1)CC2 ZINC000091356052 181008213 /nfs/dbraw/zinc/00/82/13/181008213.db2.gz IXZKVGAIBVBOLT-ZDUSSCGKSA-N 0 0 246.712 4.557 10 0 BJAERN Fc1cccc2c1[C@@H](c1ccc(Cl)cc1)CC2 ZINC000091356053 181006759 /nfs/dbraw/zinc/00/67/59/181006759.db2.gz IXZKVGAIBVBOLT-CYBMUJFWSA-N 0 0 246.712 4.557 10 0 BJAERN Cc1ccc(C)c(OCc2ccc(Cl)cc2)c1 ZINC000095081042 384357307 /nfs/dbraw/zinc/35/73/07/384357307.db2.gz IDUODRYXOLCEGZ-UHFFFAOYSA-N 0 0 246.737 4.536 10 0 BJAERN Cc1ccc(C)c(OCc2ccccc2Cl)c1 ZINC000095081904 384357682 /nfs/dbraw/zinc/35/76/82/384357682.db2.gz NVFKFQAWPKZXLU-UHFFFAOYSA-N 0 0 246.737 4.536 10 0 BJAERN Cc1cc(C)cc(OCc2cccc(Cl)c2)c1 ZINC000095082136 384359353 /nfs/dbraw/zinc/35/93/53/384359353.db2.gz QEBGUTUSYPCVNJ-UHFFFAOYSA-N 0 0 246.737 4.536 10 0 BJAERN CC1=CC[C@H]2C(=C1)[C@H](C(C)C)CC[C@@H]2C ZINC000095628034 560062100 /nfs/dbraw/zinc/06/21/00/560062100.db2.gz JOCWPECWTZZSSX-MELADBBJSA-N 0 0 204.357 4.581 10 0 biogenic,in-vitro BJAERN Cc1cc(Cl)ccc1-c1ccc(Cl)cc1 ZINC000095896324 188188379 /nfs/dbraw/zinc/18/83/79/188188379.db2.gz ZHEIKHVYKBOUGB-UHFFFAOYSA-N 0 0 237.129 4.969 10 0 BJAERN CC1=CCC[C@]2(C)CC[C@@H]3C(C)(C)C[C@@]132 ZINC000095914189 290801576 /nfs/dbraw/zinc/80/15/76/290801576.db2.gz WHXUZXDWQKUIJL-BPLDGKMQSA-N 0 0 204.357 4.559 10 0 endogenous,in-man BJAERN CCC[C@@H](C)c1ccc([C@@H](C)CCC)c(N)c1N ZINC000095930831 384410829 /nfs/dbraw/zinc/41/08/29/384410829.db2.gz MIZDJFUBTLMGHJ-TXEJJXNPSA-N 0 0 248.414 4.658 10 0 BJAERN CCC[C@H](C)c1ccc([C@@H](C)CCC)c(N)c1N ZINC000095930833 384410534 /nfs/dbraw/zinc/41/05/34/384410534.db2.gz MIZDJFUBTLMGHJ-RYUDHWBXSA-N 0 0 248.414 4.658 10 0 BJAERN CCC[C@@H](C)c1ccc([C@H](C)CCC)c(N)c1N ZINC000095930835 169374571 /nfs/dbraw/zinc/37/45/71/169374571.db2.gz MIZDJFUBTLMGHJ-VXGBXAGGSA-N 0 0 248.414 4.658 10 0 BJAERN CC[C@H](C)Cc1ccc(-c2ccccc2)cc1 ZINC000095932628 171300618 /nfs/dbraw/zinc/30/06/18/171300618.db2.gz YZVHGHFGYMRTAS-AWEZNQCLSA-N 0 0 224.347 4.942 10 0 BJAERN CCc1ccccc1Oc1ccccc1CC ZINC000095935370 384415572 /nfs/dbraw/zinc/41/55/72/384415572.db2.gz YIMFCJMGPKCUNS-UHFFFAOYSA-N 0 0 226.319 4.604 10 0 BJAERN c1scc2cc3c(cc12)Oc1ccccc1O3 ZINC000095936046 183454014 /nfs/dbraw/zinc/45/40/14/183454014.db2.gz LHZPSEWFLJSZPW-UHFFFAOYSA-N 0 0 240.283 4.799 10 0 BJAERN CN(C)c1ccc(-c2ccc3ccccc3c2)cc1 ZINC000095936391 384414435 /nfs/dbraw/zinc/41/44/35/384414435.db2.gz UOQMENVEODFSFA-UHFFFAOYSA-N 0 0 247.341 4.573 10 0 BJAERN CC1C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000096300961 371457833 /nfs/dbraw/zinc/45/78/33/371457833.db2.gz NLSZBMIGKLNLHK-UHFFFAOYSA-N 0 0 247.317 4.693 10 0 BJAERN COc1c(C)cc(/C=C/c2cccs2)cc1C ZINC000096347796 384930924 /nfs/dbraw/zinc/93/09/24/384930924.db2.gz PTSNVPHZYHFONX-VOTSOKGWSA-N 0 0 244.359 4.544 10 0 BJAERN CC1=C(C)[C@@H](C)c2c1c(C)c(C)c(C)c2C ZINC000096482244 344375798 /nfs/dbraw/zinc/37/57/98/344375798.db2.gz GKSNDWDOQMJOIT-CYBMUJFWSA-N 0 0 214.352 4.831 10 0 BJAERN CC1=C(C)[C@H](C)c2c1c(C)c(C)c(C)c2C ZINC000096482245 344376050 /nfs/dbraw/zinc/37/60/50/344376050.db2.gz GKSNDWDOQMJOIT-ZDUSSCGKSA-N 0 0 214.352 4.831 10 0 BJAERN Cc1nc2c(ccc(Cl)c2Cl)cc1Cl ZINC000096662723 180063764 /nfs/dbraw/zinc/06/37/64/180063764.db2.gz GHTNXGLOEXGVCI-UHFFFAOYSA-N 0 0 246.524 4.503 10 0 BJAERN CC1=C[C@H]2C(CC1)C(C)CCCC2(C)C ZINC000096833188 343906014 /nfs/dbraw/zinc/90/60/14/343906014.db2.gz DLOIACGCHBKRBO-AWEZNQCLSA-N 0 0 203.349 4.536 10 0 BJAERN Brc1cscc1C1CCCCC1 ZINC000096984858 166106206 /nfs/dbraw/zinc/10/62/06/166106206.db2.gz JCGMUTQREWWAIM-UHFFFAOYSA-N 0 0 245.185 4.558 10 0 BJAERN Brc1csc(C2CCCCC2)c1 ZINC000096984859 166106753 /nfs/dbraw/zinc/10/67/53/166106753.db2.gz LNHWVKKUSUNIPP-UHFFFAOYSA-N 0 0 245.185 4.558 10 0 BJAERN c1c(-c2ccccc2)oc2cnc3ccccc3c12 ZINC000097758277 183379745 /nfs/dbraw/zinc/37/97/45/183379745.db2.gz DNAACRXMZYLZOT-UHFFFAOYSA-N 0 0 245.281 4.648 10 0 BJAERN c1c2cnc3ccccc3c2oc1-c1ccccc1 ZINC000097758278 183379995 /nfs/dbraw/zinc/37/99/95/183379995.db2.gz LALNIEATRTYBMX-UHFFFAOYSA-N 0 0 245.281 4.648 10 0 BJAERN S=c1oc(-c2cccs2)cc2ccccc21 ZINC000098085551 183315667 /nfs/dbraw/zinc/31/56/67/183315667.db2.gz WHOKEJXCPYYSOH-UHFFFAOYSA-N 0 0 244.340 4.891 10 0 BJAERN CCCCCCOC(=O)CCCCCC(C)C ZINC000098090247 168670694 /nfs/dbraw/zinc/67/06/94/168670694.db2.gz LVSHDMOMAPXAMA-UHFFFAOYSA-N 0 0 242.403 4.716 10 0 BJAERN CCCSC(SCCC)c1ccccc1 ZINC000098090932 169334925 /nfs/dbraw/zinc/33/49/25/169334925.db2.gz MRXUJVXIHZTOTG-UHFFFAOYSA-N 0 0 240.437 4.972 10 0 BJAERN CC1=Cc2c(cc3c(c2-c2ccccc2)CCC3)C1 ZINC000098178020 168132946 /nfs/dbraw/zinc/13/29/46/168132946.db2.gz IAQUXCVKPCUGAX-UHFFFAOYSA-N 0 0 246.353 4.802 10 0 BJAERN CC1=Nc2cc(-c3ccccc3)ccc2C1(C)C ZINC000098178074 168138220 /nfs/dbraw/zinc/13/82/20/168138220.db2.gz GXIAISSARIHOAL-UHFFFAOYSA-N 0 0 235.330 4.737 10 0 BJAERN Cc1cccc2sc(-c3ccccc3)cc21 ZINC000098178539 179233763 /nfs/dbraw/zinc/23/37/63/179233763.db2.gz NVEKSNDOAHPSJF-UHFFFAOYSA-N 0 0 224.328 4.877 10 0 BJAERN Clc1ccc(CC2=Cc3ccccc3C2)cc1 ZINC000098179028 384599564 /nfs/dbraw/zinc/59/95/64/384599564.db2.gz WQTCHXLUUTYHSS-UHFFFAOYSA-N 0 0 240.733 4.522 10 0 BJAERN Cc1ccc(Nc2ccccc2)c2ccccc12 ZINC000098179452 384599620 /nfs/dbraw/zinc/59/96/20/384599620.db2.gz LJJPLFPWNHNJJO-UHFFFAOYSA-N 0 0 233.314 4.892 10 0 BJAERN Cc1ccc([C@H](C)c2ccccc2C)cc1C ZINC000100045744 384613201 /nfs/dbraw/zinc/61/32/01/384613201.db2.gz NKCSZNMKUBZFLO-HNNXBMFYSA-N 0 0 224.347 4.764 10 0 BJAERN Cc1ccc([C@@H](C)c2ccccc2C)cc1C ZINC000100045748 178852282 /nfs/dbraw/zinc/85/22/82/178852282.db2.gz NKCSZNMKUBZFLO-OAHLLOKOSA-N 0 0 224.347 4.764 10 0 BJAERN C=CC=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000100046198 384613089 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HZRVSSQLVDMVIL-CQSZACIVSA-N 0 0 242.366 4.534 10 0 BJAERN CCC[C@@H](CC)Nc1ccccc1C(F)(F)F ZINC000104181160 169380052 /nfs/dbraw/zinc/38/00/52/169380052.db2.gz ZVFCNOXYHJHEEF-SNVBAGLBSA-N 0 0 245.288 4.696 10 0 BJAERN Cc1cc2ccccc2n1C/C=C/c1ccccc1 ZINC000104284833 178296932 /nfs/dbraw/zinc/29/69/32/178296932.db2.gz FUFUJXSICYGNIW-JXMROGBWSA-N 0 0 247.341 4.663 10 0 BJAERN CC[C@@H]1CCCC[C@@H]1C(=O)c1ccc(F)c(C)c1 ZINC000104387933 170965928 /nfs/dbraw/zinc/96/59/28/170965928.db2.gz BQYQIMYZADNYJR-OCCSQVGLSA-N 0 0 248.341 4.533 10 0 BJAERN CC[C@@H]1CCCC[C@H]1C(=O)c1ccc(F)c(C)c1 ZINC000104387943 170969047 /nfs/dbraw/zinc/96/90/47/170969047.db2.gz BQYQIMYZADNYJR-TZMCWYRMSA-N 0 0 248.341 4.533 10 0 BJAERN CC1(CNc2ccc3ccccc3c2)CCCC1 ZINC000104447461 168048875 /nfs/dbraw/zinc/04/88/75/168048875.db2.gz VZPUPBPWJCKATL-UHFFFAOYSA-N 0 0 239.362 4.832 10 0 BJAERN CC1=C(Cl)c2ccc(Cl)cc2C1(C)C ZINC000104835850 168088280 /nfs/dbraw/zinc/08/82/80/168088280.db2.gz AVEPGDHLUXCBDQ-UHFFFAOYSA-N 0 0 227.134 4.601 10 0 BJAERN FC(F)(Cl)/C(Cl)=C/C1CCCCC1 ZINC000104836642 180877924 /nfs/dbraw/zinc/87/79/24/180877924.db2.gz ODSFZALCCPWNES-VURMDHGXSA-N 0 0 229.097 4.521 10 0 BJAERN CC(C)=CCC/C(C)=C/C[C@@H]1CCCCC1=O ZINC000104843262 191066530 /nfs/dbraw/zinc/06/65/30/191066530.db2.gz BIIBCCSKYKIWEF-GOFCXVBSSA-N 0 0 234.383 4.829 10 0 BJAERN CC(C)=CCC/C(C)=C/C[C@H]1CCCCC1=O ZINC000104843267 191066928 /nfs/dbraw/zinc/06/69/28/191066928.db2.gz BIIBCCSKYKIWEF-ATGUSINASA-N 0 0 234.383 4.829 10 0 BJAERN CC1=CC[C@@H]2C(C)=CC[C@H](C(C)C)[C@H]2C1 ZINC000105054083 571843300 /nfs/dbraw/zinc/84/33/00/571843300.db2.gz USDOQCCMRDNVAH-RBSFLKMASA-N 0 0 204.357 4.581 10 0 endogenous,in-man BJAERN CC(C)c1ccc([C@@H](O)C(C)C)c(C(C)C)c1 ZINC000110463232 167615135 /nfs/dbraw/zinc/61/51/35/167615135.db2.gz BPXIAVDYIUKWCF-INIZCTEOSA-N 0 0 234.383 4.623 10 0 BJAERN Clc1ccc2ccc(Cl)c(Cl)c2c1 ZINC000111354913 368857111 /nfs/dbraw/zinc/85/71/11/368857111.db2.gz QYYUVUXSJZJCLQ-UHFFFAOYSA-N 0 0 231.509 4.800 10 0 BJAERN CCCCC[C@@H](O)C(CC)(CC)c1ccccc1 ZINC000111762017 168740253 /nfs/dbraw/zinc/74/02/53/168740253.db2.gz WQMICGPCATZVMU-MRXNPFEDSA-N 0 0 248.410 4.686 10 0 BJAERN Fc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000112732003 368874485 /nfs/dbraw/zinc/87/44/85/368874485.db2.gz VBYPCJIAVPFBDO-UHFFFAOYSA-N 0 0 240.199 4.512 10 0 BJAERN CCCCCCC(=O)[C@H]1CCCc2ccccc21 ZINC000112884836 168646421 /nfs/dbraw/zinc/64/64/21/168646421.db2.gz CNZYDTXCFGGDHP-INIZCTEOSA-N 0 0 244.378 4.646 10 0 BJAERN CCCCCC[C@@H](O)c1ccc(C(C)C)cc1 ZINC000112885192 168676616 /nfs/dbraw/zinc/67/66/16/168676616.db2.gz FVPZKZMHRYJLRO-MRXNPFEDSA-N 0 0 234.383 4.814 10 0 BJAERN CCCCCC[C@@H](O)c1cccc2ccccc21 ZINC000112887198 168675461 /nfs/dbraw/zinc/67/54/61/168675461.db2.gz JXZUUBYIZQFDHX-QGZVFWFLSA-N 0 0 242.362 4.844 10 0 BJAERN Cc1c(Cl)nc2c(Cl)cccc2c1Cl ZINC000113385438 177605585 /nfs/dbraw/zinc/60/55/85/177605585.db2.gz WWCYNLSDARJOQQ-UHFFFAOYSA-N 0 0 246.524 4.503 10 0 BJAERN CC(C)(C)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000113466518 166697859 /nfs/dbraw/zinc/69/78/59/166697859.db2.gz JVYKUEQWDCGIGX-INIZCTEOSA-N 0 0 239.362 4.886 10 0 BJAERN Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2 ZINC000113653753 344672692 /nfs/dbraw/zinc/67/26/92/344672692.db2.gz IIPRZFWOSCKSIM-UHFFFAOYSA-N 0 0 237.346 4.686 10 0 BJAERN Clc1ccc(-c2ccc3ccccc3n2)cc1 ZINC000114434493 490254537 /nfs/dbraw/zinc/25/45/37/490254537.db2.gz GXFBUBKTTCNIRT-UHFFFAOYSA-N 0 0 239.705 4.555 10 0 BJAERN Clc1nc(-c2ccccc2)cc2ccccc21 ZINC000114589724 368944802 /nfs/dbraw/zinc/94/48/02/368944802.db2.gz FERPDCPDPHIFFD-UHFFFAOYSA-N 0 0 239.705 4.555 10 0 BJAERN CC1(C)c2ccccc2Nc2ccc(Cl)cc21 ZINC000114611658 368341965 /nfs/dbraw/zinc/34/19/65/368341965.db2.gz IOEABXFXRWILSK-UHFFFAOYSA-N 0 0 243.737 4.723 10 0 BJAERN CC[C@@H](C)c1cccc([C@@H](C)CC)c1C=O ZINC000114911933 345807229 /nfs/dbraw/zinc/80/72/29/345807229.db2.gz JLHOYTHMYAGKFU-TXEJJXNPSA-N 0 0 218.340 4.526 10 0 BJAERN CC[C@H](C)c1cccc([C@@H](C)CC)c1C=O ZINC000114911935 345807267 /nfs/dbraw/zinc/80/72/67/345807267.db2.gz JLHOYTHMYAGKFU-RYUDHWBXSA-N 0 0 218.340 4.526 10 0 BJAERN CC[C@@H](C)c1cccc([C@H](C)CC)c1C=O ZINC000114911936 345806941 /nfs/dbraw/zinc/80/69/41/345806941.db2.gz JLHOYTHMYAGKFU-VXGBXAGGSA-N 0 0 218.340 4.526 10 0 BJAERN Cc1c(Cl)cc(Cl)c(Cl)c1Cl ZINC000115008872 324185333 /nfs/dbraw/zinc/18/53/33/324185333.db2.gz UURGNCIPRITNBJ-UHFFFAOYSA-N 0 0 229.921 4.609 10 0 BJAERN Oc1cc(-c2ccccc2)ccc1-c1ccccc1 ZINC000115012727 368967326 /nfs/dbraw/zinc/96/73/26/368967326.db2.gz WPUYCLSKLRIIPU-UHFFFAOYSA-N 0 0 246.309 4.726 10 0 BJAERN CCCSC1c2ccccc2-c2ccccc21 ZINC000115250302 368982535 /nfs/dbraw/zinc/98/25/35/368982535.db2.gz AJHRTTMCIRAWKG-UHFFFAOYSA-N 0 0 240.371 4.900 10 0 BJAERN CCC[C@H](O)CC[C@@H]1[C@@H](C)CC[C@@H](C)C1(C)C ZINC000116146014 370736420 /nfs/dbraw/zinc/73/64/20/370736420.db2.gz ZXEXKFFXTYZXJT-LJISPDSOSA-N 0 0 240.431 4.636 10 0 BJAERN Cc1cccc(/C=N/c2cccc(Cl)c2F)c1 ZINC000116170619 345756503 /nfs/dbraw/zinc/75/65/03/345756503.db2.gz LQEFPKFXWXTLSK-RQZCQDPDSA-N 0 0 247.700 4.538 10 0 BJAERN CC1(C)CC(c2ccccc2N)CC(C)(C)C1 ZINC000116207090 342922013 /nfs/dbraw/zinc/92/20/13/342922013.db2.gz XKTFCKUDDZWUSW-UHFFFAOYSA-N 0 0 231.383 4.589 10 0 BJAERN Cc1ccc2ccccc2c1-c1cccc(C=O)c1 ZINC000116990544 344739254 /nfs/dbraw/zinc/73/92/54/344739254.db2.gz MTELCJZDMIMFRY-UHFFFAOYSA-N 0 0 246.309 4.628 10 0 BJAERN CC(C)c1cccc(-c2ccc(Cl)nc2)c1 ZINC000117274025 342959854 /nfs/dbraw/zinc/95/98/54/342959854.db2.gz XIXINSDQUXUWJQ-UHFFFAOYSA-N 0 0 231.726 4.525 10 0 BJAERN CCCCCCCCCc1ccc(C=O)cc1 ZINC000117385252 344744637 /nfs/dbraw/zinc/74/46/37/344744637.db2.gz MLPGFYQRKQHSJN-UHFFFAOYSA-N 0 0 232.367 4.792 10 0 BJAERN CCCCCC[C@@H](CCCC)C(=O)Cl ZINC000118312282 342753488 /nfs/dbraw/zinc/75/34/88/342753488.db2.gz RWUTXZOKQFXNQM-LLVKDONJSA-N 0 0 218.768 4.529 10 0 BJAERN CCCCCC[C@H](CCCC)C(=O)Cl ZINC000118312285 342753479 /nfs/dbraw/zinc/75/34/79/342753479.db2.gz RWUTXZOKQFXNQM-NSHDSACASA-N 0 0 218.768 4.529 10 0 BJAERN CCCC(CCC)C(=O)c1ccc(Cl)cc1 ZINC000132900790 371945105 /nfs/dbraw/zinc/94/51/05/371945105.db2.gz FYJJIISNFDUILG-UHFFFAOYSA-N 0 0 238.758 4.739 10 0 BJAERN CCCC(CCC)C(=O)c1ccc(Cl)s1 ZINC000132902104 371947464 /nfs/dbraw/zinc/94/74/64/371947464.db2.gz UFNBJCUHPJTBNP-UHFFFAOYSA-N 0 0 244.787 4.801 10 0 BJAERN C=Cc1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000135736363 345785318 /nfs/dbraw/zinc/78/53/18/345785318.db2.gz KPJCDZOHUQRWSR-UHFFFAOYSA-N 0 0 214.352 4.679 10 0 BJAERN CCCCCCCCCc1cccc(C=O)c1 ZINC000135801045 345789332 /nfs/dbraw/zinc/78/93/32/345789332.db2.gz HOWBEOPFGUFJDS-UHFFFAOYSA-N 0 0 232.367 4.792 10 0 BJAERN CC(C)=CCC/C(C)=C/CC(F)(F)F ZINC000135896033 368978461 /nfs/dbraw/zinc/97/84/61/368978461.db2.gz HBJKLGBBTSWGRV-JXMROGBWSA-N 0 0 206.251 4.632 10 0 BJAERN FC(F)(F)c1ccccc1/C=C/c1ccccc1 ZINC000136263066 345810371 /nfs/dbraw/zinc/81/03/71/345810371.db2.gz GSUAAHFCMHSJIL-ZHACJKMWSA-N 0 0 248.247 4.876 10 0 BJAERN Clc1ccc2cc(C3CCCCC3)ccc2n1 ZINC000136308350 368981927 /nfs/dbraw/zinc/98/19/27/368981927.db2.gz GNSXURICXGKXAR-UHFFFAOYSA-N 0 0 245.753 4.936 10 0 BJAERN Cc1ccc(C)c2c3cc(Cl)ccc3[nH]c21 ZINC000136527341 345815392 /nfs/dbraw/zinc/81/53/92/345815392.db2.gz WGALHADPZRFJQC-UHFFFAOYSA-N 0 0 229.710 4.591 10 0 BJAERN Clc1ccc(Cc2ccccc2Cl)cc1 ZINC000136583400 345814972 /nfs/dbraw/zinc/81/49/72/345814972.db2.gz AQCDSUPSKAXYSR-UHFFFAOYSA-N 0 0 237.129 4.584 10 0 BJAERN CC(=O)c1ccc(C2CCCCC2)c(Cl)c1 ZINC000136736885 346291431 /nfs/dbraw/zinc/29/14/31/346291431.db2.gz ZKJZFNWOYCYXHP-UHFFFAOYSA-N 0 0 236.742 4.590 10 0 BJAERN C[C@@H]1CCCC(C)(C)/C1=C/Cc1ccoc1 ZINC000136830851 176062446 /nfs/dbraw/zinc/06/24/46/176062446.db2.gz UQRKWSKUVUJLMS-CWZJEYLYSA-N 0 0 218.340 4.595 10 0 BJAERN C[C@H]1CCCC(C)(C)/C1=C/Cc1ccoc1 ZINC000136830900 177069585 /nfs/dbraw/zinc/06/95/85/177069585.db2.gz UQRKWSKUVUJLMS-FUEWVNAISA-N 0 0 218.340 4.595 10 0 BJAERN CC1(C)CCC=C2CC3(C)CCC21CC3 ZINC000136957899 345564588 /nfs/dbraw/zinc/56/45/88/345564588.db2.gz UMLOXPMLISZBGS-UHFFFAOYSA-N 0 0 204.357 4.703 10 0 BJAERN CC1(C)CCC2(CCCc3ccccc32)CC1 ZINC000137524351 345847345 /nfs/dbraw/zinc/84/73/45/345847345.db2.gz IMPKDKNUMBUPKW-UHFFFAOYSA-N 0 0 228.379 4.861 10 0 BJAERN FC(F)(F)c1ccc(Cl)c(Cl)c1Cl ZINC000137557743 368998212 /nfs/dbraw/zinc/99/82/12/368998212.db2.gz HVYQJEDLPSKQGC-UHFFFAOYSA-N 0 0 249.446 4.666 10 0 BJAERN Clc1ccc2c(c1)Cc1ccccc1CS2 ZINC000137655778 369000357 /nfs/dbraw/zinc/00/03/57/369000357.db2.gz GDTGOIBEVUBJLR-UHFFFAOYSA-N 0 0 246.762 4.537 10 0 BJAERN S=C=Nc1ccccc1-c1ccc(Cl)cc1 ZINC000137695529 345680855 /nfs/dbraw/zinc/68/08/55/345680855.db2.gz OERWZUFLHJYUSY-UHFFFAOYSA-N 0 0 245.734 4.741 10 0 BJAERN Clc1ccccc1/C=C/c1ccccc1 ZINC000137914057 342691467 /nfs/dbraw/zinc/69/14/67/342691467.db2.gz WTVKFPGVKKXUHG-ZHACJKMWSA-N 0 0 214.695 4.510 10 0 BJAERN Cc1ccc2ccc3c(c2c1)Cc1ccccc1C3 ZINC000138478237 409653590 /nfs/dbraw/zinc/65/35/90/409653590.db2.gz DAXOBJQKBJTWIP-UHFFFAOYSA-N 0 0 244.337 4.643 10 0 BJAERN Cc1ccc2c(c1)Cc1c(ccc3ccccc31)C2 ZINC000138492164 342899055 /nfs/dbraw/zinc/89/90/55/342899055.db2.gz QDLWFSUJBOBAKS-UHFFFAOYSA-N 0 0 244.337 4.643 10 0 BJAERN Cc1cccc2c1Cc1c(ccc3ccccc31)C2 ZINC000138492409 342898986 /nfs/dbraw/zinc/89/89/86/342898986.db2.gz ATJYGCVTXFYHRW-UHFFFAOYSA-N 0 0 244.337 4.643 10 0 BJAERN FC(F)c1ccc2cc(C(F)F)ccc2c1 ZINC000138541434 360865992 /nfs/dbraw/zinc/86/59/92/360865992.db2.gz LSTYHFNWDKGBHZ-UHFFFAOYSA-N 0 0 228.188 4.715 10 0 BJAERN CCCc1cc(CCC)cc(CCC)c1 ZINC000139007581 343253026 /nfs/dbraw/zinc/25/30/26/343253026.db2.gz MSUBBMNPXKLJEW-UHFFFAOYSA-N 0 0 204.357 4.544 10 0 BJAERN Cc1cc(C)cc(-n2cccc2-c2ccccc2)c1 ZINC000139066845 361519424 /nfs/dbraw/zinc/51/94/24/361519424.db2.gz DXKGBMXUCHRGBJ-UHFFFAOYSA-N 0 0 247.341 4.761 10 0 BJAERN FC(F)(F)c1c(Cl)ccc2ccccc21 ZINC000139339360 364594060 /nfs/dbraw/zinc/59/40/60/364594060.db2.gz BKHVQNKQYPLQQU-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN FC(F)(F)c1ccc(Cl)c2ccccc21 ZINC000139390343 361879922 /nfs/dbraw/zinc/87/99/22/361879922.db2.gz DDKYKJZBJJKICM-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN Cc1ccc(Sc2c[nH]c3ccccc23)cc1 ZINC000139399639 343343833 /nfs/dbraw/zinc/34/38/33/343343833.db2.gz RKVWBFHUVZREDE-UHFFFAOYSA-N 0 0 239.343 4.628 10 0 BJAERN CCCC1CCC(/C=C/Br)CC1 ZINC000139467710 538949955 /nfs/dbraw/zinc/94/99/55/538949955.db2.gz UBZWTPZJGSQWHY-CMDGGOBGSA-N 0 0 231.177 4.502 10 0 BJAERN CCCCCc1cccc(-c2cccc(O)c2)c1 ZINC000139631455 344423854 /nfs/dbraw/zinc/42/38/54/344423854.db2.gz NVRAWNWSTQJBHF-UHFFFAOYSA-N 0 0 240.346 4.792 10 0 BJAERN Cc1cc(C)cc(-c2ccc3cc(O)ccc3c2)c1 ZINC000140067639 343070146 /nfs/dbraw/zinc/07/01/46/343070146.db2.gz NULSTLHFBMHPPS-UHFFFAOYSA-N 0 0 248.325 4.829 10 0 BJAERN CC/C(=C/CO)CC/C=C(\C)CCC=C(C)C ZINC000140328909 345854868 /nfs/dbraw/zinc/85/48/68/345854868.db2.gz HGEDOEDIUXJIJS-HDVIWIBHSA-N 0 0 236.399 4.788 10 0 BJAERN CC1=CC(c2ccccc2)=C(c2ccccc2)C1 ZINC000140336824 347373399 /nfs/dbraw/zinc/37/33/99/347373399.db2.gz SFZBACBFFNXMNT-UHFFFAOYSA-N 0 0 232.326 4.947 10 0 BJAERN CC(C)(C)c1cccc(Nc2ccccc2)c1 ZINC000140403630 345854536 /nfs/dbraw/zinc/85/45/36/345854536.db2.gz FOALAHOQRNZQLZ-UHFFFAOYSA-N 0 0 225.335 4.728 10 0 BJAERN CC(C)(C)/C=C/c1ccccc1Br ZINC000140405789 345854531 /nfs/dbraw/zinc/85/45/31/345854531.db2.gz CIXWXANZINAEKS-CMDGGOBGSA-N 0 0 239.156 4.508 10 0 BJAERN Cc1csc2c1cc(Cl)cc2Cl ZINC000140447167 372679510 /nfs/dbraw/zinc/67/95/10/372679510.db2.gz UXPPKVMYRAVGSU-UHFFFAOYSA-N 0 0 217.120 4.517 10 0 BJAERN CC=C1c2ccccc2C=Cc2ccccc21 ZINC000140508831 345855368 /nfs/dbraw/zinc/85/53/68/345855368.db2.gz UAJSZPUFRVOOIT-UHFFFAOYSA-N 0 0 218.299 4.622 10 0 BJAERN CCC[C@H](O)CC[C@@H]1[C@H](C)CC[C@H](C)C1(C)C ZINC000141459697 372956971 /nfs/dbraw/zinc/95/69/71/372956971.db2.gz ZXEXKFFXTYZXJT-CBBWQLFWSA-N 0 0 240.431 4.636 10 0 BJAERN C[C@@H]1[C@@H](C)C(C)(C)c2ccccc2C1(C)C ZINC000141754497 345861210 /nfs/dbraw/zinc/86/12/10/345861210.db2.gz FZGYOTGRGNXFOU-VXGBXAGGSA-N 0 0 216.368 4.528 10 0 BJAERN CC[C@@H](C)C(=O)c1ccccc1-c1ccccc1 ZINC000142017564 343104126 /nfs/dbraw/zinc/10/41/26/343104126.db2.gz UYZPUNHQLWABSR-CYBMUJFWSA-N 0 0 238.330 4.582 10 0 BJAERN CC[C@H](C)C(=O)c1ccccc1-c1ccccc1 ZINC000142017772 373090482 /nfs/dbraw/zinc/09/04/82/373090482.db2.gz UYZPUNHQLWABSR-ZDUSSCGKSA-N 0 0 238.330 4.582 10 0 BJAERN CC(C)(C)C1CCC(c2cccc(N)c2)CC1 ZINC000142625700 541504982 /nfs/dbraw/zinc/50/49/82/541504982.db2.gz PLVDGAUQZAGNRQ-UHFFFAOYSA-N 0 0 231.383 4.589 10 0 BJAERN CC(C)(C)[C@@H]1CCc2ccccc2N1C(C)(C)C ZINC000143182855 374142297 /nfs/dbraw/zinc/14/22/97/374142297.db2.gz UCRGXNVNIUZYGH-HNNXBMFYSA-N 0 0 245.410 4.652 10 0 BJAERN Cc1ccc(Cl)c(Oc2ccccc2)c1F ZINC000143420319 343124858 /nfs/dbraw/zinc/12/48/58/343124858.db2.gz OJTCZLWBSWYHJU-UHFFFAOYSA-N 0 0 236.673 4.580 10 0 BJAERN Cc1cccc2oc3cc(Cl)ccc3c21 ZINC000143654113 345867090 /nfs/dbraw/zinc/86/70/90/345867090.db2.gz JEBAFBAQIUJMDN-UHFFFAOYSA-N 0 0 216.667 4.548 10 0 BJAERN Cc1ccc(-c2ccc(-c3ccno3)cc2)cc1C ZINC000143664494 345866664 /nfs/dbraw/zinc/86/66/64/345866664.db2.gz YXFUTOFNSXYNOA-UHFFFAOYSA-N 0 0 249.313 4.625 10 0 BJAERN Cc1cc2cccc(C(C)(C)C)c2s1 ZINC000143704256 345866850 /nfs/dbraw/zinc/86/68/50/345866850.db2.gz HAPPCIWRWOFIIU-UHFFFAOYSA-N 0 0 204.338 4.507 10 0 BJAERN FC(F)c1cc2ccccc2cc1C(F)F ZINC000143876518 356472843 /nfs/dbraw/zinc/47/28/43/356472843.db2.gz MFEPBCQSEQOIGP-UHFFFAOYSA-N 0 0 228.188 4.715 10 0 BJAERN CC1(C)CC(c2ccc(O)cc2)CC(C)(C)C1 ZINC000144102767 342699193 /nfs/dbraw/zinc/69/91/93/342699193.db2.gz JJWPMKGJWRPUBW-UHFFFAOYSA-N 0 0 232.367 4.712 10 0 BJAERN C=C(C)c1cc(Cl)c(Cl)c(Cl)c1 ZINC000144363433 374285709 /nfs/dbraw/zinc/28/57/09/374285709.db2.gz KWGFFQGQCMUBAW-UHFFFAOYSA-N 0 0 221.514 4.680 10 0 BJAERN C=C(CF)c1cc(Cl)c(Cl)c(Cl)c1 ZINC000144461690 342742382 /nfs/dbraw/zinc/74/23/82/342742382.db2.gz HHLGFOQECBXKBS-UHFFFAOYSA-N 0 0 239.504 4.630 10 0 BJAERN CC1(C)CCCC(=C2SCCCS2)C1 ZINC000144572550 342746158 /nfs/dbraw/zinc/74/61/58/342746158.db2.gz BNTDTDLFPUFWDP-UHFFFAOYSA-N 0 0 228.426 4.668 10 0 BJAERN CC(C)c1cc(O)ccc1C1CCCCC1 ZINC000144939647 384528072 /nfs/dbraw/zinc/52/80/72/384528072.db2.gz SWDKYXAEGFATIQ-UHFFFAOYSA-N 0 0 218.340 4.563 10 0 BJAERN Fc1ccc(-c2c[nH]c3cc(Cl)ccc32)cc1 ZINC000145257989 384773791 /nfs/dbraw/zinc/77/37/91/384773791.db2.gz BHZUKOPIXDYLKD-UHFFFAOYSA-N 0 0 245.684 4.627 10 0 BJAERN CCC(C)(C)c1cccc(C2(O)CCCCC2)c1 ZINC000145281411 343157691 /nfs/dbraw/zinc/15/76/91/343157691.db2.gz KXOUMQSJBVBKPV-UHFFFAOYSA-N 0 0 246.394 4.526 10 0 BJAERN CCc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000145999761 345948446 /nfs/dbraw/zinc/94/84/46/345948446.db2.gz KILUDBQQRYAKAE-UHFFFAOYSA-N 0 0 237.557 4.826 10 0 BJAERN CC(C)(C)C1CCC(c2ccccc2N)CC1 ZINC000146349061 342767733 /nfs/dbraw/zinc/76/77/33/342767733.db2.gz AUGXQZVSXWCCAR-UHFFFAOYSA-N 0 0 231.383 4.589 10 0 BJAERN c1c2ccccc2sc1C1CCCCC1 ZINC000146445310 342769396 /nfs/dbraw/zinc/76/93/96/342769396.db2.gz FASFHWNACSJPRW-UHFFFAOYSA-N 0 0 216.349 4.949 10 0 BJAERN CCCCCC[C@@H](CC)c1cc(O)cc(O)c1 ZINC000147070402 342774857 /nfs/dbraw/zinc/77/48/57/342774857.db2.gz HLOINVLJOGJWPI-GFCCVEGCSA-N 0 0 236.355 4.562 10 0 BJAERN CCCCCC[C@H](CC)c1cc(O)cc(O)c1 ZINC000147070588 342774754 /nfs/dbraw/zinc/77/47/54/342774754.db2.gz HLOINVLJOGJWPI-LBPRGKRZSA-N 0 0 236.355 4.562 10 0 BJAERN CC(C)(C)Cc1cc(-c2ccccc2)ccc1O ZINC000147938951 343382118 /nfs/dbraw/zinc/38/21/18/343382118.db2.gz GEZJIEFNDYGAEN-UHFFFAOYSA-N 0 0 240.346 4.648 10 0 BJAERN Oc1cccc(-c2cccc(-c3ccccc3)c2)c1 ZINC000148659609 342791749 /nfs/dbraw/zinc/79/17/49/342791749.db2.gz QDRIIOUTQBYXQI-UHFFFAOYSA-N 0 0 246.309 4.726 10 0 BJAERN C/C=C/c1ccc2ccccc2c1Br ZINC000148674612 342792320 /nfs/dbraw/zinc/79/23/20/342792320.db2.gz FISDLGMUDYGOCL-GORDUTHDSA-N 0 0 247.135 4.635 10 0 BJAERN COc1ccc2c(-c3ccccc3)csc2c1 ZINC000148828238 175203055 /nfs/dbraw/zinc/20/30/55/175203055.db2.gz ABRMTASSNGLERB-UHFFFAOYSA-N 0 0 240.327 4.577 10 0 BJAERN Clc1cc(Cl)c2ccc3ccccc3c2n1 ZINC000148842653 342792618 /nfs/dbraw/zinc/79/26/18/342792618.db2.gz TYINKESFXSAAKS-UHFFFAOYSA-N 0 0 248.112 4.695 10 0 BJAERN FC(F)(F)c1cccc2c(Cl)cccc21 ZINC000149565086 347328055 /nfs/dbraw/zinc/32/80/55/347328055.db2.gz MXVRXCBMYLQZAJ-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN FC(F)(F)c1cccc2cccc(Cl)c21 ZINC000149565767 347328562 /nfs/dbraw/zinc/32/85/62/347328562.db2.gz WPBMFZHOGBZLIK-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN CCC[C@H](O)CC[C@@H]1[C@@H](C)CC[C@H](C)C1(C)C ZINC000149704757 343445533 /nfs/dbraw/zinc/44/55/33/343445533.db2.gz ZXEXKFFXTYZXJT-ZQDZILKHSA-N 0 0 240.431 4.636 10 0 BJAERN c1ccc(-c2ccc(C3CCC3)cc2)cc1 ZINC000149740054 343447662 /nfs/dbraw/zinc/44/76/62/343447662.db2.gz ILTJLQUKOYWFHZ-UHFFFAOYSA-N 0 0 208.304 4.621 10 0 BJAERN CCCCC(=O)c1ccccc1-c1ccccc1 ZINC000150119266 344431564 /nfs/dbraw/zinc/43/15/64/344431564.db2.gz RMDNJDMRWRTIKD-UHFFFAOYSA-N 0 0 238.330 4.727 10 0 BJAERN Cc1coc2c1c(Cl)c(Cl)cc2Cl ZINC000160623154 357139118 /nfs/dbraw/zinc/13/91/18/357139118.db2.gz LGDIMPNWJUNINK-UHFFFAOYSA-N 0 0 235.497 4.701 10 0 BJAERN Cc1ccc2ccccc2c1C(=O)C1CCCC1 ZINC000160808834 358720192 /nfs/dbraw/zinc/72/01/92/358720192.db2.gz RTRUCUFGAINFMV-UHFFFAOYSA-N 0 0 238.330 4.521 10 0 BJAERN CCC(CC)C(=O)c1c(C)ccc2ccccc21 ZINC000160809287 358720597 /nfs/dbraw/zinc/72/05/97/358720597.db2.gz BGRDHJAJVONDOJ-UHFFFAOYSA-N 0 0 240.346 4.767 10 0 BJAERN CCC[C@@H](C)C(=O)c1c(C)ccc2ccccc21 ZINC000160809834 358719371 /nfs/dbraw/zinc/71/93/71/358719371.db2.gz LKTJYXWWBQGBNM-CYBMUJFWSA-N 0 0 240.346 4.767 10 0 BJAERN CCC[C@H](C)C(=O)c1c(C)ccc2ccccc21 ZINC000160809958 358727557 /nfs/dbraw/zinc/72/75/57/358727557.db2.gz LKTJYXWWBQGBNM-ZDUSSCGKSA-N 0 0 240.346 4.767 10 0 BJAERN Cc1ccccc1Nc1c(C)cccc1Cl ZINC000163168697 347399791 /nfs/dbraw/zinc/39/97/91/347399791.db2.gz MNCGQEOZXFVICV-UHFFFAOYSA-N 0 0 231.726 4.700 10 0 BJAERN Cc1cccc(C(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000164083880 346590402 /nfs/dbraw/zinc/59/04/02/346590402.db2.gz LZJSESFGDPVJJN-CYBMUJFWSA-N 0 0 232.367 4.640 10 0 BJAERN Cc1cccc(C(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000164083969 346590281 /nfs/dbraw/zinc/59/02/81/346590281.db2.gz LZJSESFGDPVJJN-ZDUSSCGKSA-N 0 0 232.367 4.640 10 0 BJAERN Cc1ccccc1C(=O)C[C@@H](C)CC(C)(C)C ZINC000164128742 346591613 /nfs/dbraw/zinc/59/16/13/346591613.db2.gz FZWYBCUEADBXNS-GFCCVEGCSA-N 0 0 232.367 4.640 10 0 BJAERN Cc1ccccc1C(=O)C[C@H](C)CC(C)(C)C ZINC000164128871 346592079 /nfs/dbraw/zinc/59/20/79/346592079.db2.gz FZWYBCUEADBXNS-LBPRGKRZSA-N 0 0 232.367 4.640 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1cc(C)cc(C)c1 ZINC000164139052 346592439 /nfs/dbraw/zinc/59/24/39/346592439.db2.gz KGWNAHOYYKCOCT-CQSZACIVSA-N 0 0 232.367 4.703 10 0 BJAERN CCCC[C@H](CC)C(=O)c1cc(C)cc(C)c1 ZINC000164139155 346592363 /nfs/dbraw/zinc/59/23/63/346592363.db2.gz KGWNAHOYYKCOCT-AWEZNQCLSA-N 0 0 232.367 4.703 10 0 BJAERN Cc1cc(C)cc(C(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000164142073 346592707 /nfs/dbraw/zinc/59/27/07/346592707.db2.gz YGSAWIITRGDRCV-CQSZACIVSA-N 0 0 246.394 4.949 10 0 BJAERN Cc1cc(C)cc(C(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000164142200 346592504 /nfs/dbraw/zinc/59/25/04/346592504.db2.gz YGSAWIITRGDRCV-AWEZNQCLSA-N 0 0 246.394 4.949 10 0 BJAERN CCCC(CCC)C(=O)c1cc(C)cc(C)c1 ZINC000164145595 346592624 /nfs/dbraw/zinc/59/26/24/346592624.db2.gz JVXCCVCMXQDOPQ-UHFFFAOYSA-N 0 0 232.367 4.703 10 0 BJAERN CCCc1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000164319240 384720294 /nfs/dbraw/zinc/72/02/94/384720294.db2.gz YFWIAHIWUXKPNB-UHFFFAOYSA-N 0 0 232.273 4.584 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1cccc(C)c1C ZINC000165220229 346645381 /nfs/dbraw/zinc/64/53/81/346645381.db2.gz DRYFDEAQXWNJES-CQSZACIVSA-N 0 0 232.367 4.703 10 0 BJAERN CCCC[C@H](CC)C(=O)c1cccc(C)c1C ZINC000165220348 342883498 /nfs/dbraw/zinc/88/34/98/342883498.db2.gz DRYFDEAQXWNJES-AWEZNQCLSA-N 0 0 232.367 4.703 10 0 BJAERN Cc1cccc(C(=O)C[C@@H](C)CC(C)(C)C)c1C ZINC000165223156 342886173 /nfs/dbraw/zinc/88/61/73/342886173.db2.gz GUAWDVPBFFJRGN-GFCCVEGCSA-N 0 0 246.394 4.949 10 0 BJAERN Cc1cccc(C(=O)C[C@H](C)CC(C)(C)C)c1C ZINC000165223273 342886131 /nfs/dbraw/zinc/88/61/31/342886131.db2.gz GUAWDVPBFFJRGN-LBPRGKRZSA-N 0 0 246.394 4.949 10 0 BJAERN CCCC(CCC)C(=O)c1cccc(C)c1C ZINC000165226655 342886519 /nfs/dbraw/zinc/88/65/19/342886519.db2.gz IWTDGIUOCYRCST-UHFFFAOYSA-N 0 0 232.367 4.703 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1cc(F)ccc1C ZINC000165306435 342904032 /nfs/dbraw/zinc/90/40/32/342904032.db2.gz JSTJVWCOSHEZGR-GFCCVEGCSA-N 0 0 236.330 4.533 10 0 BJAERN CCCC[C@H](CC)C(=O)c1cc(F)ccc1C ZINC000165306552 342904141 /nfs/dbraw/zinc/90/41/41/342904141.db2.gz JSTJVWCOSHEZGR-LBPRGKRZSA-N 0 0 236.330 4.533 10 0 BJAERN CCCC(CCC)C(=O)c1cc(F)ccc1C ZINC000165312161 342906293 /nfs/dbraw/zinc/90/62/93/342906293.db2.gz LBQBSHOTPNQWLP-UHFFFAOYSA-N 0 0 236.330 4.533 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1ccc(F)cc1C ZINC000165334991 342914868 /nfs/dbraw/zinc/91/48/68/342914868.db2.gz PRHWSJLDXRPJPN-GFCCVEGCSA-N 0 0 236.330 4.533 10 0 BJAERN CCCC[C@H](CC)C(=O)c1ccc(F)cc1C ZINC000165335118 342915744 /nfs/dbraw/zinc/91/57/44/342915744.db2.gz PRHWSJLDXRPJPN-LBPRGKRZSA-N 0 0 236.330 4.533 10 0 BJAERN CCCC(CCC)C(=O)c1ccc(F)cc1C ZINC000165340860 342915381 /nfs/dbraw/zinc/91/53/81/342915381.db2.gz QHWSUYSQMQAKDI-UHFFFAOYSA-N 0 0 236.330 4.533 10 0 BJAERN Cc1cc(C)c(C)c(C2CCCCC2)c1C ZINC000165663638 343214878 /nfs/dbraw/zinc/21/48/78/343214878.db2.gz KXOIZRGELVZJFH-UHFFFAOYSA-N 0 0 216.368 4.968 10 0 BJAERN Cc1cc(C)c(C(=O)CCC2CCCC2)cc1C ZINC000166181714 344768379 /nfs/dbraw/zinc/76/83/79/344768379.db2.gz GFCPHVDDDLCXIY-UHFFFAOYSA-N 0 0 244.378 4.765 10 0 BJAERN ClCc1ccc(-c2ccccc2)c(Cl)c1 ZINC000166300028 346671460 /nfs/dbraw/zinc/67/14/60/346671460.db2.gz IKKBHGJPKDTMEV-UHFFFAOYSA-N 0 0 237.129 4.746 10 0 BJAERN FC(F)c1ccc2ccc(C(F)F)cc2c1 ZINC000166925460 345953956 /nfs/dbraw/zinc/95/39/56/345953956.db2.gz STJGVBAOJZKFAC-UHFFFAOYSA-N 0 0 228.188 4.715 10 0 BJAERN FC(F)c1cccc2c1cccc2C(F)F ZINC000167174249 346206923 /nfs/dbraw/zinc/20/69/23/346206923.db2.gz CEKYBCFNHDCFKH-UHFFFAOYSA-N 0 0 228.188 4.715 10 0 BJAERN CCc1cccc(C(C)(C)c2ccccc2)c1 ZINC000167557629 345793540 /nfs/dbraw/zinc/79/35/40/345793540.db2.gz FOWKHSSTLSNJKM-UHFFFAOYSA-N 0 0 224.347 4.575 10 0 BJAERN COc1ccc(C(C)C)cc1Oc1ccccc1 ZINC000167669400 345796402 /nfs/dbraw/zinc/79/64/02/345796402.db2.gz STLXATYPFWJECC-UHFFFAOYSA-N 0 0 242.318 4.611 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1ccccc1Cl ZINC000167809660 347184328 /nfs/dbraw/zinc/18/43/28/347184328.db2.gz JJKMDHNLCYEGQG-LLVKDONJSA-N 0 0 238.758 4.739 10 0 BJAERN CCCC[C@H](CC)C(=O)c1ccccc1Cl ZINC000167809772 347184359 /nfs/dbraw/zinc/18/43/59/347184359.db2.gz JJKMDHNLCYEGQG-NSHDSACASA-N 0 0 238.758 4.739 10 0 BJAERN CC(C)(C)c1cc(C(C)(C)C)c(Cl)cc1O ZINC000167827691 345802358 /nfs/dbraw/zinc/80/23/58/345802358.db2.gz KQHQKAIMVORFIH-UHFFFAOYSA-N 0 0 240.774 4.641 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1cccc(Cl)c1 ZINC000167848066 348200115 /nfs/dbraw/zinc/20/01/15/348200115.db2.gz RFIOBIROSAEGEU-LLVKDONJSA-N 0 0 238.758 4.739 10 0 BJAERN CCCC[C@H](CC)C(=O)c1cccc(Cl)c1 ZINC000167848174 348199869 /nfs/dbraw/zinc/19/98/69/348199869.db2.gz RFIOBIROSAEGEU-NSHDSACASA-N 0 0 238.758 4.739 10 0 BJAERN CCC(CC)C(=O)c1cccc(Cl)c1Cl ZINC000168141486 345287173 /nfs/dbraw/zinc/28/71/73/345287173.db2.gz BZNOQGOXQTZAPH-UHFFFAOYSA-N 0 0 245.149 4.612 10 0 BJAERN CCC[C@@H](C)C(=O)c1cccc(Cl)c1Cl ZINC000168141599 345287412 /nfs/dbraw/zinc/28/74/12/345287412.db2.gz QIDJGPVKXXUUET-MRVPVSSYSA-N 0 0 245.149 4.612 10 0 BJAERN CCC[C@H](C)C(=O)c1cccc(Cl)c1Cl ZINC000168141706 351313688 /nfs/dbraw/zinc/31/36/88/351313688.db2.gz QIDJGPVKXXUUET-QMMMGPOBSA-N 0 0 245.149 4.612 10 0 BJAERN c1oc(-c2ccccc2)c2[nH]c3ccccc3c12 ZINC000168820334 343621043 /nfs/dbraw/zinc/62/10/43/343621043.db2.gz QYBJUTSQRXNWMP-UHFFFAOYSA-N 0 0 233.270 4.581 10 0 BJAERN Clc1ccnc2scc(-c3ccccc3)c21 ZINC000168990960 345827603 /nfs/dbraw/zinc/82/76/03/345827603.db2.gz FGFLVBYBDQRKOA-UHFFFAOYSA-N 0 0 245.734 4.617 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1cc(C)cc(F)c1 ZINC000169043082 358094002 /nfs/dbraw/zinc/09/40/02/358094002.db2.gz GTSKBSMPKGPMNT-GFCCVEGCSA-N 0 0 236.330 4.533 10 0 BJAERN CCCC[C@H](CC)C(=O)c1cc(C)cc(F)c1 ZINC000169043172 358093546 /nfs/dbraw/zinc/09/35/46/358093546.db2.gz GTSKBSMPKGPMNT-LBPRGKRZSA-N 0 0 236.330 4.533 10 0 BJAERN CCCC(CCC)C(=O)c1cc(C)cc(F)c1 ZINC000169059922 358098848 /nfs/dbraw/zinc/09/88/48/358098848.db2.gz YQILYZPDEHZFCO-UHFFFAOYSA-N 0 0 236.330 4.533 10 0 BJAERN Oc1ccc(Cl)cc1CCC1CCCCC1 ZINC000196170818 347817168 /nfs/dbraw/zinc/81/71/68/347817168.db2.gz LGRQHZTZPPRZBG-UHFFFAOYSA-N 0 0 238.758 4.559 10 0 BJAERN c1ccc2nc3c(cc2c1)-c1ccccc1SC3 ZINC000196182098 347819192 /nfs/dbraw/zinc/81/91/92/347819192.db2.gz ZTSXJPSEGJRYBQ-UHFFFAOYSA-N 0 0 249.338 4.508 10 0 BJAERN Brc1ccc2c(c1)C=C1CCCC[C@H]21 ZINC000196189424 347818403 /nfs/dbraw/zinc/81/84/03/347818403.db2.gz HAAJNHDQGZHFIF-LBPRGKRZSA-N 0 0 249.151 4.504 10 0 BJAERN Brc1ccc2c(c1)C=C1CCCC[C@@H]21 ZINC000196189432 347818468 /nfs/dbraw/zinc/81/84/68/347818468.db2.gz HAAJNHDQGZHFIF-GFCCVEGCSA-N 0 0 249.151 4.504 10 0 BJAERN Clc1c2ccccc2nc2c1CCCCCC2 ZINC000196362462 347869734 /nfs/dbraw/zinc/86/97/34/347869734.db2.gz SEFHIAAKDMAPMU-UHFFFAOYSA-N 0 0 245.753 4.547 10 0 BJAERN CCCCCCC(=CCO)CCCCCC ZINC000196369087 347869743 /nfs/dbraw/zinc/86/97/43/347869743.db2.gz FXXIXXVTRZRMQP-UHFFFAOYSA-N 0 0 226.404 4.846 10 0 BJAERN Clc1ccc(Sc2ccccc2)s1 ZINC000196419216 347876066 /nfs/dbraw/zinc/87/60/66/347876066.db2.gz TXFWYVVOLFOSIB-UHFFFAOYSA-N 0 0 226.753 4.553 10 0 BJAERN c1cc(CCCCCc2ccccc2)cs1 ZINC000196430883 347504638 /nfs/dbraw/zinc/50/46/38/347504638.db2.gz WIFDGARGFOJOKL-UHFFFAOYSA-N 0 0 230.376 4.704 10 0 BJAERN CC(C)=Cc1ccc(-c2ccccc2)cc1 ZINC000196504571 347913288 /nfs/dbraw/zinc/91/32/88/347913288.db2.gz FFEJFEVOBPTPQT-UHFFFAOYSA-N 0 0 208.304 4.777 10 0 BJAERN Clc1nc2ccccc2cc1C1CCCCC1 ZINC000196599598 347946850 /nfs/dbraw/zinc/94/68/50/347946850.db2.gz BAMMOBGPHAYLEV-UHFFFAOYSA-N 0 0 245.753 4.936 10 0 BJAERN CC(C)[Si](Cc1ccccn1)(C(C)C)C(C)C ZINC000197991334 167545592 /nfs/dbraw/zinc/54/55/92/167545592.db2.gz FDHBPGMKLJYFGM-UHFFFAOYSA-N 0 0 249.474 4.842 10 0 BJAERN CC(C)=CCC/C(C)=C/CC/C(C)=C(\C)CO ZINC000199667620 343702137 /nfs/dbraw/zinc/70/21/37/343702137.db2.gz IUSIGKYFNSSENP-MQIHADEYSA-N 0 0 236.399 4.788 10 0 BJAERN c1ccc(Oc2ccnc(-c3ccccc3)c2)cc1 ZINC000200602477 343303820 /nfs/dbraw/zinc/30/38/20/343303820.db2.gz JWTFOQZYJJJNTB-UHFFFAOYSA-N 0 0 247.297 4.541 10 0 BJAERN CC(C)CCCCCCC1(O)CCCCC1 ZINC000201270469 350520222 /nfs/dbraw/zinc/52/02/22/350520222.db2.gz GDWQPPQLAQZNAX-UHFFFAOYSA-N 0 0 226.404 4.678 10 0 BJAERN Clc1ccc(/C=C2\CCc3ccccc32)cc1 ZINC000201553101 343386071 /nfs/dbraw/zinc/38/60/71/343386071.db2.gz YEFODNMKVZIMSQ-SDNWHVSQSA-N 0 0 240.733 4.827 10 0 BJAERN FC(F)(F)c1ccc2oc3ccccc3c2c1 ZINC000201559894 347907746 /nfs/dbraw/zinc/90/77/46/347907746.db2.gz GGFWQAUKYXKKQN-UHFFFAOYSA-N 0 0 236.192 4.605 10 0 BJAERN Fc1ccc(-c2cccc(-c3ccccn3)c2)cc1 ZINC000202590910 343439676 /nfs/dbraw/zinc/43/96/76/343439676.db2.gz MBSMGBFSKQMWBU-UHFFFAOYSA-N 0 0 249.288 4.555 10 0 BJAERN CC(=O)c1ccc2c(c1)[C@H](C(C)C)CCC2(C)C ZINC000202737864 368354451 /nfs/dbraw/zinc/35/44/51/368354451.db2.gz FDTIHBWDKKMIGJ-AWEZNQCLSA-N 0 0 244.378 4.700 10 0 BJAERN CC(=O)c1ccc2c(c1)[C@@H](C(C)C)CCC2(C)C ZINC000202737886 368353939 /nfs/dbraw/zinc/35/39/39/368353939.db2.gz FDTIHBWDKKMIGJ-CQSZACIVSA-N 0 0 244.378 4.700 10 0 BJAERN Cc1cc(F)ccc1C[Si](C)(C)C(C)(C)C ZINC000203707899 343543846 /nfs/dbraw/zinc/54/38/46/343543846.db2.gz PFBFNQGTNWUPHQ-UHFFFAOYSA-N 0 0 238.422 4.724 10 0 BJAERN Clc1cccc2c1[nH]c1c3ccccc3oc21 ZINC000204197718 348277655 /nfs/dbraw/zinc/27/76/55/348277655.db2.gz YBIAGLOQPUIIIJ-UHFFFAOYSA-N 0 0 241.677 4.721 10 0 BJAERN c1oc(-c2ccccc2)c2c1[nH]c1ccccc12 ZINC000204207618 343561105 /nfs/dbraw/zinc/56/11/05/343561105.db2.gz YOAUZBJAEORXIO-UHFFFAOYSA-N 0 0 233.270 4.581 10 0 BJAERN Clc1ccccc1SC1CCCCC1 ZINC000204854966 343597253 /nfs/dbraw/zinc/59/72/53/343597253.db2.gz CAQZLKWKFXKIMU-UHFFFAOYSA-N 0 0 226.772 4.765 10 0 BJAERN C/C=C(\c1ccccc1)c1ccc(Cl)cc1 ZINC000206742536 345757850 /nfs/dbraw/zinc/75/78/50/345757850.db2.gz XTLIDSDMAFBDHY-RSSMCMFDSA-N 0 0 228.722 4.792 10 0 BJAERN CCC(CC)Nc1ccc2ccccc2c1N=O ZINC000206779150 345757875 /nfs/dbraw/zinc/75/78/75/345757875.db2.gz MIEHMEKVWDUGJN-UHFFFAOYSA-N 0 0 242.322 4.838 10 0 BJAERN CC(C)=CCC/C(C)=C/C=C(Cl)Cl ZINC000207622593 343723520 /nfs/dbraw/zinc/72/35/20/343723520.db2.gz VXRBQXLLQZBLEJ-JXMROGBWSA-N 0 0 219.155 4.998 10 0 BJAERN C=C(c1ccc(C)cc1)c1cccc(Cl)c1 ZINC000211748584 205706743 /nfs/dbraw/zinc/70/67/43/205706743.db2.gz SQRBLIGIBPMYRL-UHFFFAOYSA-N 0 0 228.722 4.710 10 0 BJAERN c1sc2ccccc2c1Nc1ccccc1 ZINC000211815995 385696151 /nfs/dbraw/zinc/69/61/51/385696151.db2.gz KVGMUGJPFRYQGE-UHFFFAOYSA-N 0 0 225.316 4.645 10 0 BJAERN Clc1cccc2c1Sc1ccccc1O2 ZINC000211843233 349285346 /nfs/dbraw/zinc/28/53/46/349285346.db2.gz RPQHMEIKFSJRKG-UHFFFAOYSA-N 0 0 234.707 4.597 10 0 BJAERN S=C=Nc1cc(Cl)c(C2CC2)c(Cl)c1 ZINC000216517292 344149248 /nfs/dbraw/zinc/14/92/48/344149248.db2.gz AMBPUKIGRAUHMS-UHFFFAOYSA-N 0 0 244.146 4.605 10 0 BJAERN C(/C=C/C1CCCCC1)=C\c1ccccc1 ZINC000217976660 344428315 /nfs/dbraw/zinc/42/83/15/344428315.db2.gz CLFAFRQWODRFKD-FNCQTZNRSA-N 0 0 212.336 4.836 10 0 BJAERN C/C1=C/[C@H](c2ccccc2)CCC(=O)CCCC1 ZINC000218905451 191131653 /nfs/dbraw/zinc/13/16/53/191131653.db2.gz OSUAMFCTZCJRDN-OMACXJQVSA-N 0 0 242.362 4.640 10 0 BJAERN C/C1=C/[C@@H](c2ccccc2)CCC(=O)CCCC1 ZINC000218905618 191132406 /nfs/dbraw/zinc/13/24/06/191132406.db2.gz OSUAMFCTZCJRDN-FIPLFPIMSA-N 0 0 242.362 4.640 10 0 BJAERN CCCCn1c2ccsc2c2sccc21 ZINC000222602180 350995754 /nfs/dbraw/zinc/99/57/54/350995754.db2.gz BWHPFGAOPUJAAS-UHFFFAOYSA-N 0 0 235.377 4.718 10 0 BJAERN FC(F)(F)c1cc(Cl)c2ccccc2c1 ZINC000223847822 357118314 /nfs/dbraw/zinc/11/83/14/357118314.db2.gz BRZUKTNIJWJMHU-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN FC(F)(F)c1ccc2c(Cl)cccc2c1 ZINC000223851991 357127496 /nfs/dbraw/zinc/12/74/96/357127496.db2.gz FDFDLCUSTXYUOA-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN FC(F)(F)c1cc(Cl)cc2ccccc21 ZINC000223863574 357133273 /nfs/dbraw/zinc/13/32/73/357133273.db2.gz UVYYBUNPFVQGGS-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1ccc(C)c(F)c1 ZINC000224073430 358427964 /nfs/dbraw/zinc/42/79/64/358427964.db2.gz JGIMWWCESFBBLX-GFCCVEGCSA-N 0 0 236.330 4.533 10 0 BJAERN CCCC[C@H](CC)C(=O)c1ccc(C)c(F)c1 ZINC000224073479 358427799 /nfs/dbraw/zinc/42/77/99/358427799.db2.gz JGIMWWCESFBBLX-LBPRGKRZSA-N 0 0 236.330 4.533 10 0 BJAERN CCCC(CCC)C(=O)c1ccc(C)c(F)c1 ZINC000224075978 358428029 /nfs/dbraw/zinc/42/80/29/358428029.db2.gz GHUQPSUSCBBECT-UHFFFAOYSA-N 0 0 236.330 4.533 10 0 BJAERN CC(C)(C)CSc1ccccc1C(F)(F)F ZINC000224099858 368366177 /nfs/dbraw/zinc/36/61/77/368366177.db2.gz ZMNZSRYMPPRCGO-UHFFFAOYSA-N 0 0 248.313 4.844 10 0 BJAERN CCC1(CC)OC(CC)(CC)c2ccccc21 ZINC000224846069 385631934 /nfs/dbraw/zinc/63/19/34/385631934.db2.gz XPYKSEYKGFHVCD-UHFFFAOYSA-N 0 0 232.367 4.747 10 0 BJAERN CC(C)=CCC/C(C)=C\CC(F)(F)F ZINC000225612449 368368081 /nfs/dbraw/zinc/36/80/81/368368081.db2.gz HBJKLGBBTSWGRV-YFHOEESVSA-N 0 0 206.251 4.632 10 0 BJAERN CCCCOc1c(CCC)ccc2ccccc21 ZINC000225794124 368367582 /nfs/dbraw/zinc/36/75/82/368367582.db2.gz LGFNNLDIXFKREM-UHFFFAOYSA-N 0 0 242.362 4.971 10 0 BJAERN CCC(CC)C(=O)c1c(Cl)cccc1Cl ZINC000229215518 352652567 /nfs/dbraw/zinc/65/25/67/352652567.db2.gz MKMFBXSSWNIOFK-UHFFFAOYSA-N 0 0 245.149 4.612 10 0 BJAERN CCC(CC)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000229215650 352652725 /nfs/dbraw/zinc/65/27/25/352652725.db2.gz GVHCOOMLCVEFOL-UHFFFAOYSA-N 0 0 245.149 4.612 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1cccc(CC)c1 ZINC000229261242 352733643 /nfs/dbraw/zinc/73/36/43/352733643.db2.gz VTDBLCUMIKSHTP-CQSZACIVSA-N 0 0 232.367 4.648 10 0 BJAERN CCCC[C@H](CC)C(=O)c1cccc(CC)c1 ZINC000229261252 352733638 /nfs/dbraw/zinc/73/36/38/352733638.db2.gz VTDBLCUMIKSHTP-AWEZNQCLSA-N 0 0 232.367 4.648 10 0 BJAERN CCc1cccc(C(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000229263543 372133971 /nfs/dbraw/zinc/13/39/71/372133971.db2.gz VUIUDNHZFJWYCG-CYBMUJFWSA-N 0 0 246.394 4.894 10 0 BJAERN CCc1cccc(C(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000229263550 372134488 /nfs/dbraw/zinc/13/44/88/372134488.db2.gz VUIUDNHZFJWYCG-ZDUSSCGKSA-N 0 0 246.394 4.894 10 0 BJAERN CCCC(CCC)C(=O)c1cccc(CC)c1 ZINC000229264486 372134629 /nfs/dbraw/zinc/13/46/29/372134629.db2.gz CQDGSWWURFFXEK-UHFFFAOYSA-N 0 0 232.367 4.648 10 0 BJAERN CC(C)[C@H]1CC[C@@H](C)[C@H]2CC[C@@H](C)C[C@H]12 ZINC000231138600 571853249 /nfs/dbraw/zinc/85/32/49/571853249.db2.gz FZZNNPQZDRVKLU-KJWHEZOQSA-N 0 0 208.389 4.741 10 0 endogenous,in-man BJAERN Cc1ccc(Cl)c2ncc(Cl)c(Cl)c12 ZINC000232219501 372116748 /nfs/dbraw/zinc/11/67/48/372116748.db2.gz FGFHDJWJPLNFQJ-UHFFFAOYSA-N 0 0 246.524 4.503 10 0 BJAERN CC(C)c1c[nH]c2c1cc(Cl)cc2Cl ZINC000232767543 353387698 /nfs/dbraw/zinc/38/76/98/353387698.db2.gz WREGETYHKGAFAL-UHFFFAOYSA-N 0 0 228.122 4.598 10 0 BJAERN CCC[C@@H](C)C(=O)c1c(Cl)cccc1Cl ZINC000233272098 384361928 /nfs/dbraw/zinc/36/19/28/384361928.db2.gz DVCIOCXFZWQGBA-MRVPVSSYSA-N 0 0 245.149 4.612 10 0 BJAERN CCC[C@@H](C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000233272234 342853209 /nfs/dbraw/zinc/85/32/09/342853209.db2.gz RHOIDMAXKBTNJP-MRVPVSSYSA-N 0 0 245.149 4.612 10 0 BJAERN CCC[C@H](C)C(=O)c1c(Cl)cccc1Cl ZINC000233326317 342856678 /nfs/dbraw/zinc/85/66/78/342856678.db2.gz DVCIOCXFZWQGBA-QMMMGPOBSA-N 0 0 245.149 4.612 10 0 BJAERN CCC[C@H](C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000233326471 342856674 /nfs/dbraw/zinc/85/66/74/342856674.db2.gz RHOIDMAXKBTNJP-QMMMGPOBSA-N 0 0 245.149 4.612 10 0 BJAERN FC(F)c1c(Cl)cc(Cl)cc1Cl ZINC000238562501 345077351 /nfs/dbraw/zinc/07/73/51/345077351.db2.gz TXYIYTUUIOPOPU-UHFFFAOYSA-N 0 0 231.456 4.584 10 0 BJAERN FC(F)(F)c1cccc2cc(Cl)ccc21 ZINC000238574303 361157370 /nfs/dbraw/zinc/15/73/70/361157370.db2.gz OFVZIWSWOVFUMJ-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN FC(F)(F)c1cccc2ccc(Cl)cc21 ZINC000238574410 361157331 /nfs/dbraw/zinc/15/73/31/361157331.db2.gz MINLZXVBEIZVQN-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN FC(F)(F)c1cc2ccccc2cc1Cl ZINC000238587189 361158758 /nfs/dbraw/zinc/15/87/58/361158758.db2.gz DCXVSYDRWTXSHH-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN FC(F)(F)c1ccc2cc(Cl)ccc2c1 ZINC000238592185 361161038 /nfs/dbraw/zinc/16/10/38/361161038.db2.gz OFRDTYWYZASUOK-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN FC(F)(F)c1ccc2ccc(Cl)cc2c1 ZINC000238592279 361160981 /nfs/dbraw/zinc/16/09/81/361160981.db2.gz LAPIJJJVQGJHRT-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN FC(F)(F)c1ccc2cccc(Cl)c2c1 ZINC000238592377 361161325 /nfs/dbraw/zinc/16/13/25/361161325.db2.gz YPYSEFMRWNQPHM-UHFFFAOYSA-N 0 0 230.616 4.512 10 0 BJAERN FC(F)c1cc(Cl)c(Cl)c(Cl)c1 ZINC000238656275 345103001 /nfs/dbraw/zinc/10/30/01/345103001.db2.gz MOFHXWXTMOKNGJ-UHFFFAOYSA-N 0 0 231.456 4.584 10 0 BJAERN FC(F)c1cc(Cl)c(Cl)cc1Cl ZINC000238656469 361171379 /nfs/dbraw/zinc/17/13/79/361171379.db2.gz YVWBBRCBOUVFPJ-UHFFFAOYSA-N 0 0 231.456 4.584 10 0 BJAERN FC(F)c1cc(Cl)cc(Cl)c1Cl ZINC000238659771 345103580 /nfs/dbraw/zinc/10/35/80/345103580.db2.gz AZNNBGJOTHDFFM-UHFFFAOYSA-N 0 0 231.456 4.584 10 0 BJAERN FC(F)c1ccc(Cl)c(Cl)c1Cl ZINC000238698762 345112397 /nfs/dbraw/zinc/11/23/97/345112397.db2.gz RVALYEABAGPNFT-UHFFFAOYSA-N 0 0 231.456 4.584 10 0 BJAERN CC(C)=CCC[C@@](C)(O)[C@@]1(C)CC=C(C)CC1 ZINC000238747860 361374698 /nfs/dbraw/zinc/37/46/98/361374698.db2.gz ZERSDKXNSOGPAT-JKSUJKDBSA-N 0 0 236.399 4.620 10 0 BJAERN CCC[C@H]1CC[C@H](c2ccc(O)c(F)c2)CC1 ZINC000255004137 385703188 /nfs/dbraw/zinc/70/31/88/385703188.db2.gz PVKOISIMZOLKSR-HAQNSBGRSA-N 0 0 236.330 4.605 10 0 BJAERN CCC[C@H]1CC[C@H](c2ccc(C=O)cc2)CC1 ZINC000255004298 169420583 /nfs/dbraw/zinc/42/05/83/169420583.db2.gz YFVRUGGMSVPAPA-CTYIDZIISA-N 0 0 230.351 4.573 10 0 BJAERN CCC[C@H](O)CC[C@@H]1[C@H](C)CC[C@@H](C)C1(C)C ZINC000256075469 345765502 /nfs/dbraw/zinc/76/55/02/345765502.db2.gz ZXEXKFFXTYZXJT-APIJFGDWSA-N 0 0 240.431 4.636 10 0 BJAERN F/C(Cl)=C(\F)c1ccc(C(F)(F)F)cc1 ZINC000256836252 349401451 /nfs/dbraw/zinc/40/14/51/349401451.db2.gz YCNFCACTHAKWBR-FPLPWBNLSA-N 0 0 242.574 4.509 10 0 BJAERN Clc1nc2ccccc2cc1-c1cccs1 ZINC000258572635 349507995 /nfs/dbraw/zinc/50/79/95/349507995.db2.gz KGLIZHBFAPXYFV-UHFFFAOYSA-N 0 0 245.734 4.617 10 0 BJAERN Clc1nc2ccccc2cc1C1CCCC1 ZINC000258658955 349515965 /nfs/dbraw/zinc/51/59/65/349515965.db2.gz SFKZKTJXWBHSLU-UHFFFAOYSA-N 0 0 231.726 4.546 10 0 BJAERN Cc1ccc2c(Cl)c(Cl)cnc2c1Cl ZINC000300880805 352577595 /nfs/dbraw/zinc/57/75/95/352577595.db2.gz MTLJLISFHYYICA-UHFFFAOYSA-N 0 0 246.524 4.503 10 0 BJAERN CSc1ccc(C(=O)CCC2CCCC2)cc1 ZINC000304126519 371761844 /nfs/dbraw/zinc/76/18/44/371761844.db2.gz MEVXQCOYAGTEEI-UHFFFAOYSA-N 0 0 248.391 4.562 10 0 BJAERN CSc1ccccc1C(=O)CCC1CCCC1 ZINC000304146049 349964433 /nfs/dbraw/zinc/96/44/33/349964433.db2.gz ACDFGRFSRJDBPQ-UHFFFAOYSA-N 0 0 248.391 4.562 10 0 BJAERN c1cn(CCC2CCCCC2)c2ccccc12 ZINC000305903920 256521131 /nfs/dbraw/zinc/52/11/31/256521131.db2.gz BZHWNRYREHOBKM-UHFFFAOYSA-N 0 0 227.351 4.612 10 0 BJAERN CC1(CC(=O)c2sccc2Cl)CCCC1 ZINC000306737779 350910442 /nfs/dbraw/zinc/91/04/42/350910442.db2.gz RQEBVSNGVUWJTN-UHFFFAOYSA-N 0 0 242.771 4.555 10 0 BJAERN FC(F)(F)c1ccc2ccsc2c1Cl ZINC000306806420 351056228 /nfs/dbraw/zinc/05/62/28/351056228.db2.gz JNQRLUZDVWGFPG-UHFFFAOYSA-N 0 0 236.645 4.574 10 0 BJAERN O=C(c1csc(Cl)c1)C1CCCCCC1 ZINC000306806904 351059549 /nfs/dbraw/zinc/05/95/49/351059549.db2.gz LFYYPASEXLMXQV-UHFFFAOYSA-N 0 0 242.771 4.555 10 0 BJAERN Cc1csc2c1nc(C(C)(C)C)cc2Cl ZINC000306948190 385668844 /nfs/dbraw/zinc/66/88/44/385668844.db2.gz RXMQEACHUBDIAV-UHFFFAOYSA-N 0 0 239.771 4.556 10 0 BJAERN CC1(CC(=O)c2ccc(Cl)s2)CCCC1 ZINC000307276702 351831528 /nfs/dbraw/zinc/83/15/28/351831528.db2.gz XEMVWDRXMPNMFH-UHFFFAOYSA-N 0 0 242.771 4.555 10 0 BJAERN CCC(C)(C)C(=O)c1c(Cl)cccc1Cl ZINC000308838331 342873934 /nfs/dbraw/zinc/87/39/34/342873934.db2.gz XKVWKTCKWARPET-UHFFFAOYSA-N 0 0 245.149 4.612 10 0 BJAERN FC(F)c1ccc2cccc(C(F)F)c2c1 ZINC000309178488 344231344 /nfs/dbraw/zinc/23/13/44/344231344.db2.gz BIJNFSRGQUXKHI-UHFFFAOYSA-N 0 0 228.188 4.715 10 0 BJAERN FC(F)c1cc2ccccc2c(C(F)F)c1 ZINC000309224764 344233571 /nfs/dbraw/zinc/23/35/71/344233571.db2.gz AYHUCOYXWCNGOD-UHFFFAOYSA-N 0 0 228.188 4.715 10 0 BJAERN CC(C)c1ccccc1C(=O)C1CCCCC1 ZINC000310134413 344242108 /nfs/dbraw/zinc/24/21/08/344242108.db2.gz YYHDKVLJPUKBSC-UHFFFAOYSA-N 0 0 230.351 4.573 10 0 BJAERN CC(C)c1ccccc1C(=O)CCC1CCCC1 ZINC000311092581 344920234 /nfs/dbraw/zinc/92/02/34/344920234.db2.gz QDMRSVIIYAOLIU-UHFFFAOYSA-N 0 0 244.378 4.963 10 0 BJAERN CCc1ccccc1C(=O)C[C@@H](C)CC(C)(C)C ZINC000311130532 344923723 /nfs/dbraw/zinc/92/37/23/344923723.db2.gz ZWFZEXCDMSAJFX-CYBMUJFWSA-N 0 0 246.394 4.894 10 0 BJAERN CCc1ccccc1C(=O)C[C@H](C)CC(C)(C)C ZINC000311130533 344923702 /nfs/dbraw/zinc/92/37/02/344923702.db2.gz ZWFZEXCDMSAJFX-ZDUSSCGKSA-N 0 0 246.394 4.894 10 0 BJAERN CCCCC(=O)c1cc(Cl)cc(F)c1Cl ZINC000379892596 351248758 /nfs/dbraw/zinc/24/87/58/351248758.db2.gz FSWPKYNYVODODK-UHFFFAOYSA-N 0 0 249.112 4.505 10 0 BJAERN CCCC[C@H](CC)C(=O)c1ccccc1CC ZINC000379972749 351302663 /nfs/dbraw/zinc/30/26/63/351302663.db2.gz NJLXCMCFOKASRU-AWEZNQCLSA-N 0 0 232.367 4.648 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1ccccc1CC ZINC000379972753 351302710 /nfs/dbraw/zinc/30/27/10/351302710.db2.gz NJLXCMCFOKASRU-CQSZACIVSA-N 0 0 232.367 4.648 10 0 BJAERN C[C@H](CCC(=O)C1CCCC1)C1CCCCC1 ZINC000380045341 343672733 /nfs/dbraw/zinc/67/27/33/343672733.db2.gz TVDAYRLOKDTKST-CYBMUJFWSA-N 0 0 236.399 4.742 10 0 BJAERN C[C@@H](CCC(=O)C1CCCC1)C1CCCCC1 ZINC000380045343 343672694 /nfs/dbraw/zinc/67/26/94/343672694.db2.gz TVDAYRLOKDTKST-ZDUSSCGKSA-N 0 0 236.399 4.742 10 0 BJAERN Cc1cc([C@@H](C)Nc2ccccc2C)cs1 ZINC000381326845 356490315 /nfs/dbraw/zinc/49/03/15/356490315.db2.gz AGVQTHZVIXOBCD-GFCCVEGCSA-N 0 0 231.364 4.538 10 0 BJAERN Cc1cc([C@H](C)Nc2ccccc2C)cs1 ZINC000381326846 367381393 /nfs/dbraw/zinc/38/13/93/367381393.db2.gz AGVQTHZVIXOBCD-LBPRGKRZSA-N 0 0 231.364 4.538 10 0 BJAERN CC[C@@H](Nc1ccccc1C)c1ccsc1 ZINC000382060237 347122073 /nfs/dbraw/zinc/12/20/73/347122073.db2.gz ALVABHOKRJGGEV-CYBMUJFWSA-N 0 0 231.364 4.620 10 0 BJAERN CC[C@H](Nc1ccccc1C)c1ccsc1 ZINC000382060238 347122349 /nfs/dbraw/zinc/12/23/49/347122349.db2.gz ALVABHOKRJGGEV-ZDUSSCGKSA-N 0 0 231.364 4.620 10 0 BJAERN Cc1cc(C(=O)CC(C)(C)C)cc(C)c1Cl ZINC000382680355 374256547 /nfs/dbraw/zinc/25/65/47/374256547.db2.gz APJYPIPZGKKTFH-UHFFFAOYSA-N 0 0 238.758 4.576 10 0 BJAERN CCC(CC)C(=O)c1cc(C)c(Cl)c(C)c1 ZINC000382684279 374256467 /nfs/dbraw/zinc/25/64/67/374256467.db2.gz DIFWQCZBYCRQAX-UHFFFAOYSA-N 0 0 238.758 4.576 10 0 BJAERN CCC(C)(C)C(=O)c1cc(C)c(Cl)c(C)c1 ZINC000382687064 350956054 /nfs/dbraw/zinc/95/60/54/350956054.db2.gz GGOGYQMQFYCHRS-UHFFFAOYSA-N 0 0 238.758 4.576 10 0 BJAERN CCc1cc(C(=O)CC(C)(C)C)ccc1Cl ZINC000382716595 361976609 /nfs/dbraw/zinc/97/66/09/361976609.db2.gz KVMKMTKEQCURDF-UHFFFAOYSA-N 0 0 238.758 4.521 10 0 BJAERN CCc1cc(C(=O)C(C)(C)CC)ccc1Cl ZINC000382720396 361976285 /nfs/dbraw/zinc/97/62/85/361976285.db2.gz NDVNGDGJYZOBNA-UHFFFAOYSA-N 0 0 238.758 4.521 10 0 BJAERN CCC[C@H](C)C(=O)c1ccc(Cl)c(CC)c1 ZINC000382741035 374258814 /nfs/dbraw/zinc/25/88/14/374258814.db2.gz ZPGWHGAZLUICCA-JTQLQIEISA-N 0 0 238.758 4.521 10 0 BJAERN CCC[C@@H](C)C(=O)c1ccc(Cl)c(CC)c1 ZINC000382741036 374258331 /nfs/dbraw/zinc/25/83/31/374258331.db2.gz ZPGWHGAZLUICCA-SNVBAGLBSA-N 0 0 238.758 4.521 10 0 BJAERN CCCC(CCC)C(=O)c1ccccc1CC ZINC000384034420 356080177 /nfs/dbraw/zinc/08/01/77/356080177.db2.gz LXSLXVPKYUDJOT-UHFFFAOYSA-N 0 0 232.367 4.648 10 0 BJAERN FC(F)c1cccc2cccc(C(F)F)c21 ZINC000390057263 345201899 /nfs/dbraw/zinc/20/18/99/345201899.db2.gz PBJMXZKBNZZELL-UHFFFAOYSA-N 0 0 228.188 4.715 10 0 BJAERN FC(F)c1ccc2c(cccc2C(F)F)c1 ZINC000390063354 344858278 /nfs/dbraw/zinc/85/82/78/344858278.db2.gz WWZOXDIAJNWQOJ-UHFFFAOYSA-N 0 0 228.188 4.715 10 0 BJAERN CCc1cc(C(=O)C(CC)CC)ccc1Cl ZINC000394700931 342815585 /nfs/dbraw/zinc/81/55/85/342815585.db2.gz YQFSJZPSXATWFS-UHFFFAOYSA-N 0 0 238.758 4.521 10 0 BJAERN CCC[C@@H](C)C(=O)c1cc(C)c(Cl)c(C)c1 ZINC000394808677 397952747 /nfs/dbraw/zinc/95/27/47/397952747.db2.gz YRAXJKJJSKDTDK-SECBINFHSA-N 0 0 238.758 4.576 10 0 BJAERN CCC[C@H](C)C(=O)c1cc(C)c(Cl)c(C)c1 ZINC000394808681 397952748 /nfs/dbraw/zinc/95/27/48/397952748.db2.gz YRAXJKJJSKDTDK-VIFPVBQESA-N 0 0 238.758 4.576 10 0 BJAERN Fc1cc2c(c3ccccc13)Cc1ccccc1-2 ZINC000504073281 226338652 /nfs/dbraw/zinc/33/86/52/226338652.db2.gz OTWHLUHZYGIHDV-UHFFFAOYSA-N 0 0 234.273 4.550 10 0 BJAERN CCCc1c(C)nc2ccc(Cl)cc2c1CC ZINC000536952071 323958270 /nfs/dbraw/zinc/95/82/70/323958270.db2.gz AMBLPRUOFIYPOG-UHFFFAOYSA-N 0 0 247.769 4.712 10 0 BJAERN CCCc1c(C)nc2cc(Cl)ccc2c1CC ZINC000536954537 398198509 /nfs/dbraw/zinc/19/85/09/398198509.db2.gz VNZBUNHNBKJOCO-UHFFFAOYSA-N 0 0 247.769 4.712 10 0 BJAERN CCC(C)(C)C1CCC2(CC1)CCC=CCO2 ZINC000536954865 387168163 /nfs/dbraw/zinc/16/81/63/387168163.db2.gz MVSMYARPLSAXQH-UHFFFAOYSA-N 0 0 236.399 4.718 10 0 BJAERN Fc1ccc(C2CCCCC2)cc1C(F)(F)F ZINC000536960244 323973524 /nfs/dbraw/zinc/97/35/24/323973524.db2.gz YEUQSTZWVXJNPN-UHFFFAOYSA-N 0 0 246.247 4.892 10 0 BJAERN Fc1ccc(-c2cccs2)cc1C(F)(F)F ZINC000536960286 387172423 /nfs/dbraw/zinc/17/24/23/387172423.db2.gz YSHSQBLENKCGPV-UHFFFAOYSA-N 0 0 246.228 4.573 10 0 BJAERN CCOc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000575154600 346438492 /nfs/dbraw/zinc/43/84/92/346438492.db2.gz BQTHLNYHGTZJOQ-UHFFFAOYSA-N 0 0 233.375 4.669 10 0 BJAERN CCOc1c(C(C)(C)C)cccc1C(C)(C)C ZINC000575154744 346436452 /nfs/dbraw/zinc/43/64/52/346436452.db2.gz IEKMLYYGVXDHLQ-UHFFFAOYSA-N 0 0 233.375 4.669 10 0 BJAERN c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000575154918 346436774 /nfs/dbraw/zinc/43/67/74/346436774.db2.gz YHOOBJKNEFMHLJ-UHFFFAOYSA-N 0 0 244.317 4.638 10 0 BJAERN CCCCCc1ccc(C(=O)CCCC)cc1 ZINC000575242606 398303402 /nfs/dbraw/zinc/30/34/02/398303402.db2.gz AHQRRUPCAVMFBO-UHFFFAOYSA-N 0 0 232.367 4.792 10 0 BJAERN CC(C)CC(=O)c1ccccc1-c1ccccc1 ZINC000575242883 398303422 /nfs/dbraw/zinc/30/34/22/398303422.db2.gz TUPJUSUDTDCDTF-UHFFFAOYSA-N 0 0 238.330 4.582 10 0 BJAERN CCCCCc1ccc(C(=O)CC(C)C)cc1 ZINC000575242886 398303374 /nfs/dbraw/zinc/30/33/74/398303374.db2.gz MHSMZEJPQCFZCS-UHFFFAOYSA-N 0 0 232.367 4.648 10 0 BJAERN Cc1c(C(=O)C(C)C)cccc1-c1ccccc1 ZINC000575243137 386425771 /nfs/dbraw/zinc/42/57/71/386425771.db2.gz SMKRLBPKRRXFLQ-UHFFFAOYSA-N 0 0 238.330 4.501 10 0 BJAERN CCCC(=O)c1cccc(-c2ccccc2)c1C ZINC000575243211 386430824 /nfs/dbraw/zinc/43/08/24/386430824.db2.gz YSDBAISCSPHEHH-UHFFFAOYSA-N 0 0 238.330 4.645 10 0 BJAERN CCCC[C@H](CC)C(=O)c1cccc(F)c1C ZINC000575357430 386729542 /nfs/dbraw/zinc/72/95/42/386729542.db2.gz JQYLRBLSVJDAGC-LBPRGKRZSA-N 0 0 236.330 4.533 10 0 BJAERN CCCCCCc1ccc(C(=O)C2CCC2)cc1 ZINC000575357455 386732561 /nfs/dbraw/zinc/73/25/61/386732561.db2.gz LQQDTJRUCOLBRE-UHFFFAOYSA-N 0 0 244.378 4.792 10 0 BJAERN CCC(C)(C)C(=O)c1cccc(C(C)(C)C)c1 ZINC000575357477 386731894 /nfs/dbraw/zinc/73/18/94/386731894.db2.gz FNDXFPHYEBOQNP-UHFFFAOYSA-N 0 0 232.367 4.603 10 0 BJAERN CCCC(CCC)C(=O)c1cccc(F)c1C ZINC000575357588 388859389 /nfs/dbraw/zinc/85/93/89/388859389.db2.gz NAAQIILUYCGTHL-UHFFFAOYSA-N 0 0 236.330 4.533 10 0 BJAERN CC(C)(C)CC(=O)c1cccc(C(C)(C)C)c1 ZINC000575357761 386734288 /nfs/dbraw/zinc/73/42/88/386734288.db2.gz OHDVMCZUCOOLAM-UHFFFAOYSA-N 0 0 232.367 4.603 10 0 BJAERN CC(C)(C)c1cccc(C(=O)C2CCCCC2)c1 ZINC000575357784 388860920 /nfs/dbraw/zinc/86/09/20/388860920.db2.gz QWHLCHXARGPWQM-UHFFFAOYSA-N 0 0 244.378 4.747 10 0 BJAERN CCC[C@@H](C)C(=O)c1cccc(C(C)(C)C)c1 ZINC000575357829 386732033 /nfs/dbraw/zinc/73/20/33/386732033.db2.gz UWGMPYNZIAOIJR-GFCCVEGCSA-N 0 0 232.367 4.603 10 0 BJAERN CCC[C@H](C)C(=O)c1cccc(C(C)(C)C)c1 ZINC000575357830 386732645 /nfs/dbraw/zinc/73/26/45/386732645.db2.gz UWGMPYNZIAOIJR-LBPRGKRZSA-N 0 0 232.367 4.603 10 0 BJAERN Cc1cccc(C)c1C(=O)C[C@@H](C)CC(C)(C)C ZINC000575358171 386734429 /nfs/dbraw/zinc/73/44/29/386734429.db2.gz FWTSBHHXUPDVDV-GFCCVEGCSA-N 0 0 246.394 4.949 10 0 BJAERN Cc1cccc(C)c1C(=O)C[C@H](C)CC(C)(C)C ZINC000575358177 386734106 /nfs/dbraw/zinc/73/41/06/386734106.db2.gz FWTSBHHXUPDVDV-LBPRGKRZSA-N 0 0 246.394 4.949 10 0 BJAERN CCCC(CCC)C(=O)c1c(C)cccc1C ZINC000575358318 386752830 /nfs/dbraw/zinc/75/28/30/386752830.db2.gz SRLTUNOSSUDQPL-UHFFFAOYSA-N 0 0 232.367 4.703 10 0 BJAERN CCCC[C@H](CC)C(=O)c1c(C)cccc1C ZINC000575358342 386737787 /nfs/dbraw/zinc/73/77/87/386737787.db2.gz VWBWUVKBZZNWEU-AWEZNQCLSA-N 0 0 232.367 4.703 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1c(C)cccc1C ZINC000575358343 386737018 /nfs/dbraw/zinc/73/70/18/386737018.db2.gz VWBWUVKBZZNWEU-CQSZACIVSA-N 0 0 232.367 4.703 10 0 BJAERN CC(C)c1cccc(C(=O)CCC2CCCC2)c1 ZINC000575358610 386758319 /nfs/dbraw/zinc/75/83/19/386758319.db2.gz WGBIZPKJUKSMQF-UHFFFAOYSA-N 0 0 244.378 4.963 10 0 BJAERN CC(C)c1cccc(C(=O)C2CCCCC2)c1 ZINC000575358687 386758358 /nfs/dbraw/zinc/75/83/58/386758358.db2.gz ZVNPCDIGNGFYMG-UHFFFAOYSA-N 0 0 230.351 4.573 10 0 BJAERN CSc1cccc(C(=O)CCC2CCCC2)c1 ZINC000575358897 386757694 /nfs/dbraw/zinc/75/76/94/386757694.db2.gz WSSNONFSDALPKL-UHFFFAOYSA-N 0 0 248.391 4.562 10 0 BJAERN C=Cc1ccc(C(=O)[C@@H](CC)CCCC)cc1 ZINC000575359037 386758211 /nfs/dbraw/zinc/75/82/11/386758211.db2.gz PDFBIHVHCMGKGL-AWEZNQCLSA-N 0 0 230.351 4.729 10 0 BJAERN C=Cc1ccc(C(=O)[C@H](CC)CCCC)cc1 ZINC000575359038 386757239 /nfs/dbraw/zinc/75/72/39/386757239.db2.gz PDFBIHVHCMGKGL-CQSZACIVSA-N 0 0 230.351 4.729 10 0 BJAERN C=Cc1ccc(C(=O)C[C@@H](C)CC(C)(C)C)cc1 ZINC000575359073 386758095 /nfs/dbraw/zinc/75/80/95/386758095.db2.gz QSZOEXCHAADHBJ-CYBMUJFWSA-N 0 0 244.378 4.975 10 0 BJAERN C=Cc1ccc(C(=O)C[C@H](C)CC(C)(C)C)cc1 ZINC000575359074 386758669 /nfs/dbraw/zinc/75/86/69/386758669.db2.gz QSZOEXCHAADHBJ-ZDUSSCGKSA-N 0 0 244.378 4.975 10 0 BJAERN CCCCCc1ccc(C(=O)[C@H](C)CC)cc1 ZINC000575359114 386756709 /nfs/dbraw/zinc/75/67/09/386756709.db2.gz UENFMMVRPGXQJC-CYBMUJFWSA-N 0 0 232.367 4.648 10 0 BJAERN CCCCCc1ccc(C(=O)[C@@H](C)CC)cc1 ZINC000575359115 386761795 /nfs/dbraw/zinc/76/17/95/386761795.db2.gz UENFMMVRPGXQJC-ZDUSSCGKSA-N 0 0 232.367 4.648 10 0 BJAERN C=Cc1ccc(C(=O)C(CCC)CCC)cc1 ZINC000575359199 386757185 /nfs/dbraw/zinc/75/71/85/386757185.db2.gz YZWHYDGPNJYWJF-UHFFFAOYSA-N 0 0 230.351 4.729 10 0 BJAERN CCCCCc1ccc(C(=O)C2CCCC2)cc1 ZINC000575359220 386758381 /nfs/dbraw/zinc/75/83/81/386758381.db2.gz ZVADTYWNVBFAFD-UHFFFAOYSA-N 0 0 244.378 4.792 10 0 BJAERN CCCC(CCC)C(=O)c1ccc(C)cc1F ZINC000575361794 386763583 /nfs/dbraw/zinc/76/35/83/386763583.db2.gz IJTDNBKPKOHZCE-UHFFFAOYSA-N 0 0 236.330 4.533 10 0 BJAERN CCCC[C@@H](CC)C(=O)c1ccc(C)cc1F ZINC000575361810 386766594 /nfs/dbraw/zinc/76/65/94/386766594.db2.gz JLLGXDDIQRMBQA-GFCCVEGCSA-N 0 0 236.330 4.533 10 0 BJAERN CCCC[C@H](CC)C(=O)c1ccc(C)cc1F ZINC000575361812 386766894 /nfs/dbraw/zinc/76/68/94/386766894.db2.gz JLLGXDDIQRMBQA-LBPRGKRZSA-N 0 0 236.330 4.533 10 0 BJAERN CCCC[C@H](O)c1ccccc1-c1ccccc1 ZINC000575448324 386714980 /nfs/dbraw/zinc/71/49/80/386714980.db2.gz URLOVWUPORZFNQ-KRWDZBQOSA-N 0 0 240.346 4.577 10 0 BJAERN CCCC[C@@H](O)c1ccccc1-c1ccccc1 ZINC000575448325 386714493 /nfs/dbraw/zinc/71/44/93/386714493.db2.gz URLOVWUPORZFNQ-QGZVFWFLSA-N 0 0 240.346 4.577 10 0 BJAERN CCc1ccc(NCc2ccccc2)cc1Cl ZINC000575479183 387175946 /nfs/dbraw/zinc/17/59/46/387175946.db2.gz FXOVALCWQJEJAZ-UHFFFAOYSA-N 0 0 245.753 4.515 10 0 BJAERN Cc1cc(NCc2ccccc2)cc(C)c1Cl ZINC000575479874 387167633 /nfs/dbraw/zinc/16/76/33/387167633.db2.gz IJRKIFVMTPYIAU-UHFFFAOYSA-N 0 0 245.753 4.569 10 0 BJAERN c1ccc(CNc2ccc(C3CCC3)cc2)cc1 ZINC000575480976 388863401 /nfs/dbraw/zinc/86/34/01/388863401.db2.gz PCARZOSMVIMWBD-UHFFFAOYSA-N 0 0 237.346 4.566 10 0 BJAERN c1ccc(CNc2cccc(C3CCC3)c2)cc1 ZINC000575482599 387179943 /nfs/dbraw/zinc/17/99/43/387179943.db2.gz XXINIUIEUHDZRI-UHFFFAOYSA-N 0 0 237.346 4.566 10 0 BJAERN Cc1cc(Cl)c(C(F)F)cc1C(F)F ZINC000575675058 387355430 /nfs/dbraw/zinc/35/54/30/387355430.db2.gz DJSIBZPPYGPADW-UHFFFAOYSA-N 0 0 226.600 4.524 10 0 BJAERN FC(F)c1cc(Cl)c(Cl)c(C(F)F)c1 ZINC000575675078 387358642 /nfs/dbraw/zinc/35/86/42/387358642.db2.gz CIMBBSQZOHOBQH-UHFFFAOYSA-N 0 0 247.018 4.869 10 0 BJAERN Cc1c(C(F)F)ccc(Cl)c1C(F)F ZINC000575676026 387358065 /nfs/dbraw/zinc/35/80/65/387358065.db2.gz IPBIFBTVQKPMJB-UHFFFAOYSA-N 0 0 226.600 4.524 10 0 BJAERN FC(F)c1cc(Cl)cc(Cl)c1C(F)F ZINC000575676365 387359766 /nfs/dbraw/zinc/35/97/66/387359766.db2.gz HQTLATQHTHRDCM-UHFFFAOYSA-N 0 0 247.018 4.869 10 0 BJAERN Cc1cc(C(F)F)c(Cl)cc1C(F)F ZINC000575676876 387359760 /nfs/dbraw/zinc/35/97/60/387359760.db2.gz MYHZPOJYRJVXCG-UHFFFAOYSA-N 0 0 226.600 4.524 10 0 BJAERN Cc1c(Cl)c(C(F)F)ccc1C(F)F ZINC000575676985 384486166 /nfs/dbraw/zinc/48/61/66/384486166.db2.gz OZBOTSIFMAILIL-UHFFFAOYSA-N 0 0 226.600 4.524 10 0 BJAERN FC(F)c1cc(Cl)cc(C(F)F)c1Cl ZINC000575677448 387358565 /nfs/dbraw/zinc/35/85/65/387358565.db2.gz OZXRWURNEZDZOI-UHFFFAOYSA-N 0 0 247.018 4.869 10 0 BJAERN Cc1cc(C(F)F)cc(Cl)c1C(F)F ZINC000575677560 387357834 /nfs/dbraw/zinc/35/78/34/387357834.db2.gz QVXLOYIHMSKWBC-UHFFFAOYSA-N 0 0 226.600 4.524 10 0 BJAERN Cc1c(C(F)F)cc(Cl)cc1C(F)F ZINC000575677595 387359317 /nfs/dbraw/zinc/35/93/17/387359317.db2.gz SKTFFWUGBXBHFU-UHFFFAOYSA-N 0 0 226.600 4.524 10 0 BJAERN Cc1ccc(C(F)F)c(Cl)c1C(F)F ZINC000575677632 387359253 /nfs/dbraw/zinc/35/92/53/387359253.db2.gz UGIDYZFMFBTILE-UHFFFAOYSA-N 0 0 226.600 4.524 10 0 BJAERN Cc1cc(C(F)F)c(Cl)c(C(F)F)c1 ZINC000575677658 384495653 /nfs/dbraw/zinc/49/56/53/384495653.db2.gz UWEAHKDVGPYVGT-UHFFFAOYSA-N 0 0 226.600 4.524 10 0 BJAERN Cc1cc(C(F)F)cc(C(F)F)c1Cl ZINC000575677666 384495050 /nfs/dbraw/zinc/49/50/50/384495050.db2.gz UZZHKWQHEIKJEZ-UHFFFAOYSA-N 0 0 226.600 4.524 10 0 BJAERN FC(F)c1cc(Cl)c(C(F)F)c(Cl)c1 ZINC000575678009 387359589 /nfs/dbraw/zinc/35/95/89/387359589.db2.gz QQHZWVVNNGZZLS-UHFFFAOYSA-N 0 0 247.018 4.869 10 0 BJAERN FC(F)c1cc(Cl)c(C(F)F)cc1Cl ZINC000575678016 387361122 /nfs/dbraw/zinc/36/11/22/387361122.db2.gz QSKYBPJWXHZANH-UHFFFAOYSA-N 0 0 247.018 4.869 10 0 BJAERN Cc1c(Cl)cc(C(F)F)cc1C(F)F ZINC000575678421 387359794 /nfs/dbraw/zinc/35/97/94/387359794.db2.gz WZYIQQDSYXBOPO-UHFFFAOYSA-N 0 0 226.600 4.524 10 0 BJAERN FC(F)c1cc(Cl)c(Cl)cc1C(F)F ZINC000575678950 387360882 /nfs/dbraw/zinc/36/08/82/387360882.db2.gz YBWXUOGUIRCQQE-UHFFFAOYSA-N 0 0 247.018 4.869 10 0 BJAERN FC(F)c1cc(C(F)F)c(Cl)cc1Cl ZINC000575678978 384499175 /nfs/dbraw/zinc/49/91/75/384499175.db2.gz ZRBYSYFLTDSETI-UHFFFAOYSA-N 0 0 247.018 4.869 10 0 BJAERN CC(C)(C)[PH+](C1=CC[CH]C1)C(C)(C)C ZINC000575733544 387477272 /nfs/dbraw/zinc/47/72/72/387477272.db2.gz KKHBGNNAWXDXBM-UHFFFAOYSA-N 0 0 209.293 4.576 10 0 BJAERN Cc1cc(C2=C(C)CCCC2(C)C)ccc1C=O ZINC000584591666 358249833 /nfs/dbraw/zinc/24/98/33/358249833.db2.gz MEIQLZVUNPZRKK-UHFFFAOYSA-N 0 0 242.362 4.791 10 0 BJAERN Cc1ccccc1C(=C1C=CC=C1)c1ccccc1 ZINC000584593129 358250960 /nfs/dbraw/zinc/25/09/60/358250960.db2.gz HZSXSVCWSQYPFD-UHFFFAOYSA-N 0 0 244.337 4.923 10 0 BJAERN CCCCc1ccc(CCCC)c(F)c1F ZINC000584593953 398077005 /nfs/dbraw/zinc/07/70/05/398077005.db2.gz ZMRDZASXPXKSAU-UHFFFAOYSA-N 0 0 226.310 4.650 10 0 BJAERN O=Cc1c2ccccc2sc1C1CCCCC1 ZINC000584596770 358254606 /nfs/dbraw/zinc/25/46/06/358254606.db2.gz XCVVGQSZHDSRSC-UHFFFAOYSA-N 0 0 244.359 4.762 10 0 BJAERN C[C@@H]1Cc2ccccc2-c2ccc3c(c21)CCCC3 ZINC000584601085 358257788 /nfs/dbraw/zinc/25/77/88/358257788.db2.gz MRVBNSQXCKGZBQ-CYBMUJFWSA-N 0 0 248.369 4.892 10 0 BJAERN C[C@H]1Cc2ccccc2-c2ccc3c(c21)CCCC3 ZINC000584601087 358257597 /nfs/dbraw/zinc/25/75/97/358257597.db2.gz MRVBNSQXCKGZBQ-ZDUSSCGKSA-N 0 0 248.369 4.892 10 0 BJAERN c1ccc2c(c1)C1(CCCC1)CC21CCCC1 ZINC000584602132 358260006 /nfs/dbraw/zinc/26/00/06/358260006.db2.gz HCUDMXAYAZOOQJ-UHFFFAOYSA-N 0 0 226.363 4.714 10 0 BJAERN O=C1CCC2(CC1)CCC1(CCCCC1)CC2 ZINC000584602268 358260003 /nfs/dbraw/zinc/26/00/03/358260003.db2.gz OHMXMGXITJIUOZ-UHFFFAOYSA-N 0 0 234.383 4.640 10 0 BJAERN CC(C)=CCC/C(C)=C/CSC(F)(F)F ZINC000584609346 358270491 /nfs/dbraw/zinc/27/04/91/358270491.db2.gz DKOJVAGQWWDKJV-JXMROGBWSA-N 0 0 238.318 4.932 10 0 BJAERN CCCC/C=C(/Cl)SCCCC ZINC000584609408 358270487 /nfs/dbraw/zinc/27/04/87/358270487.db2.gz NAGIDOSPCPNAIO-NTMALXAHSA-N 0 0 206.782 4.790 10 0 BJAERN CC[Si](CC)(CC)SC1CCCC1 ZINC000584609604 358271282 /nfs/dbraw/zinc/27/12/82/358271282.db2.gz USHMBGOKWPQCEZ-UHFFFAOYSA-N 0 0 216.466 4.667 10 0 BJAERN CC(C)=C(Cl)/C=C/C(Cl)=C(C)C ZINC000584609776 358271924 /nfs/dbraw/zinc/27/19/24/358271924.db2.gz RZKBQLKDVWZCFT-AATRIKPKSA-N 0 0 205.128 4.608 10 0 BJAERN CC(C)=CCC/C(C)=C\CSC(F)(F)F ZINC000584610923 358274297 /nfs/dbraw/zinc/27/42/97/358274297.db2.gz DKOJVAGQWWDKJV-YFHOEESVSA-N 0 0 238.318 4.932 10 0 BJAERN CC(C)(C)/C(Cl)=C/Sc1ccccc1 ZINC000584611088 358275214 /nfs/dbraw/zinc/27/52/14/358275214.db2.gz FWSDGOJJENPZGF-LUAWRHEFSA-N 0 0 226.772 4.905 10 0 BJAERN Cc1c(C)c(C)p([Si](C)(C)C)c1C ZINC000584613985 398078160 /nfs/dbraw/zinc/07/81/60/398078160.db2.gz SQNQFVZQPJTJQM-UHFFFAOYSA-N 0 0 212.349 4.590 10 0 BJAERN Cc1sc(C)c2c3ccccc3sc12 ZINC000584614733 358279356 /nfs/dbraw/zinc/27/93/56/358279356.db2.gz GZYPKEHOBBQMAH-UHFFFAOYSA-N 0 0 218.346 4.733 10 0 BJAERN Cc1cccc(C2=CCc3ccc(Cl)cc32)c1 ZINC000584618153 358284409 /nfs/dbraw/zinc/28/44/09/358284409.db2.gz FSUZOGRNYLZIJK-UHFFFAOYSA-N 0 0 240.733 4.636 10 0 BJAERN c1ccc(COC[C@]23CCC[C@H]2CCCC3)cc1 ZINC000584618825 358284921 /nfs/dbraw/zinc/28/49/21/358284921.db2.gz WPVXKNCLMAIJLW-SJORKVTESA-N 0 0 244.378 4.564 10 0 BJAERN CCCCCCc1ccc(-c2ccc[nH]2)cc1 ZINC000584619971 358287015 /nfs/dbraw/zinc/28/70/15/358287015.db2.gz WZHSGNDMWGUIRO-UHFFFAOYSA-N 0 0 227.351 4.805 10 0 BJAERN c1coc(-c2pc3ccccc3s2)c1 ZINC000584622308 358290132 /nfs/dbraw/zinc/29/01/32/358290132.db2.gz ITRCRINYSAUWOC-UHFFFAOYSA-N 0 0 218.217 4.741 10 0 BJAERN C[Si](C)(C)C1=CCC=C([Si](C)(C)C)S1 ZINC000584623673 387503012 /nfs/dbraw/zinc/50/30/12/387503012.db2.gz FVPDDZHVLLSVFX-UHFFFAOYSA-N 0 0 242.536 4.646 10 0 BJAERN CC(C)N(c1c(Cl)cccc1Cl)C(C)C ZINC000584623734 387502816 /nfs/dbraw/zinc/50/28/16/387502816.db2.gz MQDMYUQXVPRXDP-UHFFFAOYSA-N 0 0 246.181 4.617 10 0 BJAERN CC(C)(Cl)CCCCCC(C)(C)Cl ZINC000584624157 358291697 /nfs/dbraw/zinc/29/16/97/358291697.db2.gz CPMRBOLJEYDGLG-UHFFFAOYSA-N 0 0 225.203 4.972 10 0 BJAERN CC(=O)CC[C@@H]1[C@H](C)CCC[C@@]1(C)CC(C)C ZINC000584624381 358292389 /nfs/dbraw/zinc/29/23/89/358292389.db2.gz APCIMBYZJLNKRB-BMFZPTHFSA-N 0 0 238.415 4.844 10 0 BJAERN CC(=O)CC[C@@H]1[C@H](C)CCC[C@]1(C)CC(C)C ZINC000584624382 358292474 /nfs/dbraw/zinc/29/24/74/358292474.db2.gz APCIMBYZJLNKRB-FVQBIDKESA-N 0 0 238.415 4.844 10 0 BJAERN CC(=O)CC[C@@H]1[C@@H](C)CCC[C@@]1(C)CC(C)C ZINC000584624383 358292656 /nfs/dbraw/zinc/29/26/56/358292656.db2.gz APCIMBYZJLNKRB-IMJJTQAJSA-N 0 0 238.415 4.844 10 0 BJAERN CC(=O)CC[C@@H]1[C@@H](C)CCC[C@]1(C)CC(C)C ZINC000584624385 358292526 /nfs/dbraw/zinc/29/25/26/358292526.db2.gz APCIMBYZJLNKRB-NUEKZKHPSA-N 0 0 238.415 4.844 10 0 BJAERN CC(=O)CC[C@@H]1[C@@H](C)CCCC12CCCCC2 ZINC000584624457 358292386 /nfs/dbraw/zinc/29/23/86/358292386.db2.gz KTKQZWYAKWJDER-DZGCQCFKSA-N 0 0 236.399 4.742 10 0 BJAERN CC(=O)CC[C@H]1[C@H](C)CCCC12CCCCC2 ZINC000584624460 358292425 /nfs/dbraw/zinc/29/24/25/358292425.db2.gz KTKQZWYAKWJDER-HIFRSBDPSA-N 0 0 236.399 4.742 10 0 BJAERN CC(=O)CC[C@@H]1[C@H](C)CCCC12CCCCC2 ZINC000584624461 358292612 /nfs/dbraw/zinc/29/26/12/358292612.db2.gz KTKQZWYAKWJDER-UKRRQHHQSA-N 0 0 236.399 4.742 10 0 BJAERN CC(=O)CC[C@H]1[C@@H](C)CCCC12CCCCC2 ZINC000584624462 358292300 /nfs/dbraw/zinc/29/23/00/358292300.db2.gz KTKQZWYAKWJDER-ZFWWWQNUSA-N 0 0 236.399 4.742 10 0 BJAERN Cc1c2ccsc2c2sccc2c1C ZINC000584634418 358318473 /nfs/dbraw/zinc/31/84/73/358318473.db2.gz CPFVYSAMAYAMBB-UHFFFAOYSA-N 0 0 218.346 4.733 10 0 BJAERN FC(F)(F)c1cccc2c3ccccc3oc21 ZINC000584634679 358318845 /nfs/dbraw/zinc/31/88/45/358318845.db2.gz SDCPYDNQHQTNEH-UHFFFAOYSA-N 0 0 236.192 4.605 10 0 BJAERN CCC(=Cc1ccc(Br)cc1)CC ZINC000584635516 358319723 /nfs/dbraw/zinc/31/97/23/358319723.db2.gz QYSSXROPYZXVBF-UHFFFAOYSA-N 0 0 239.156 4.653 10 0 BJAERN Cc1csc(-c2ccccc2C(F)(F)F)c1 ZINC000584636164 358320379 /nfs/dbraw/zinc/32/03/79/358320379.db2.gz JOMSREHVRJYGPL-UHFFFAOYSA-N 0 0 242.265 4.742 10 0 BJAERN c1csc(-c2ccc3sccc3c2)c1 ZINC000584636570 358321009 /nfs/dbraw/zinc/32/10/09/358321009.db2.gz OPFOTZKOKJALJM-UHFFFAOYSA-N 0 0 216.330 4.630 10 0 BJAERN c1ccc(-c2cc3c(cn2)C2CCC3CC2)cc1 ZINC000584637587 358322698 /nfs/dbraw/zinc/32/26/98/358322698.db2.gz LVMUMUQIDPJLKE-UHFFFAOYSA-N 0 0 235.330 4.503 10 0 BJAERN CCCCc1cc(-c2ccsc2)cs1 ZINC000584638537 358324034 /nfs/dbraw/zinc/32/40/34/358324034.db2.gz KEUQGYQUJDZETD-UHFFFAOYSA-N 0 0 222.378 4.819 10 0 BJAERN CCCCC(=CCCCCCO)CCCC ZINC000584640049 358325855 /nfs/dbraw/zinc/32/58/55/358325855.db2.gz WFQRGHFMAMTHGE-UHFFFAOYSA-N 0 0 226.404 4.846 10 0 BJAERN Clc1ccc2c(c1)nccc2-c1cccs1 ZINC000584640155 358326405 /nfs/dbraw/zinc/32/64/05/358326405.db2.gz KDPGUVMDPMXPSP-UHFFFAOYSA-N 0 0 245.734 4.617 10 0 BJAERN CCC/C=C(\CCCC)CCCCCCO ZINC000584640546 358326785 /nfs/dbraw/zinc/32/67/85/358326785.db2.gz ZAWYUCRIJQFOJE-RVDMUPIBSA-N 0 0 226.404 4.846 10 0 BJAERN CCc1cccc2cc(C(C)C)c(OC)cc21 ZINC000584641664 358327195 /nfs/dbraw/zinc/32/71/95/358327195.db2.gz BSSMSWBXDZKDMT-UHFFFAOYSA-N 0 0 228.335 4.534 10 0 BJAERN C=Cc1cccc2cc(C(C)C)c(OC)cc12 ZINC000584641704 358327315 /nfs/dbraw/zinc/32/73/15/358327315.db2.gz KADFSJFNLVHVKI-UHFFFAOYSA-N 0 0 226.319 4.615 10 0 BJAERN C=Cc1cccc(-c2c(C)cccc2C)c1 ZINC000584646545 490183455 /nfs/dbraw/zinc/18/34/55/490183455.db2.gz OGHGEOBJPYVWPV-UHFFFAOYSA-N 0 0 208.304 4.613 10 0 BJAERN CCCSCC[Si](CC)(CC)CC ZINC000584647205 358332016 /nfs/dbraw/zinc/33/20/16/358332016.db2.gz QXQZIWXZRVXPJC-UHFFFAOYSA-N 0 0 218.482 4.638 10 0 BJAERN CCCCC(CCCC)SC(F)(F)F ZINC000584647226 358332165 /nfs/dbraw/zinc/33/21/65/358332165.db2.gz GYGFKMDHKFKDAL-UHFFFAOYSA-N 0 0 228.323 4.988 10 0 BJAERN c1ccc(-c2ccc3c(c2)C2CCC3CC2)nc1 ZINC000584648539 358303498 /nfs/dbraw/zinc/30/34/98/358303498.db2.gz KHFPPSKZSHELIR-UHFFFAOYSA-N 0 0 235.330 4.503 10 0 BJAERN COc1ccc2c(c1)CC[C@@H](C1CCCC1)[C@@H]2C ZINC000584649374 358304204 /nfs/dbraw/zinc/30/42/04/358304204.db2.gz VUDCXNJRRZELHQ-BLLLJJGKSA-N 0 0 244.378 4.551 10 0 BJAERN COc1ccc2c(c1)CC[C@H](C1CCCC1)[C@@H]2C ZINC000584649375 358304090 /nfs/dbraw/zinc/30/40/90/358304090.db2.gz VUDCXNJRRZELHQ-LRDDRELGSA-N 0 0 244.378 4.551 10 0 BJAERN CC/C(=C(/CC)c1ccccn1)c1ccccc1 ZINC000584650468 358304998 /nfs/dbraw/zinc/30/49/98/358304998.db2.gz KUBILQBDYASCCT-FOCLMDBBSA-N 0 0 237.346 4.812 10 0 BJAERN CC[C@H](c1ccccc1)[C@H](CC)c1ccccn1 ZINC000584650620 358305018 /nfs/dbraw/zinc/30/50/18/358305018.db2.gz WWLAPOVMFMSLKR-CVEARBPZSA-N 0 0 239.362 4.769 10 0 BJAERN CC[C@@H](c1ccccc1)[C@H](CC)c1ccccn1 ZINC000584650621 358305016 /nfs/dbraw/zinc/30/50/16/358305016.db2.gz WWLAPOVMFMSLKR-HOTGVXAUSA-N 0 0 239.362 4.769 10 0 BJAERN CC[C@@H](c1ccccn1)[C@H](CC)c1ccccc1 ZINC000584650622 358305013 /nfs/dbraw/zinc/30/50/13/358305013.db2.gz WWLAPOVMFMSLKR-HZPDHXFCSA-N 0 0 239.362 4.769 10 0 BJAERN CC[C@@H](c1ccccc1)[C@@H](CC)c1ccccn1 ZINC000584650623 358305117 /nfs/dbraw/zinc/30/51/17/358305117.db2.gz WWLAPOVMFMSLKR-JKSUJKDBSA-N 0 0 239.362 4.769 10 0 BJAERN CCCCC[C@@H](C)[C@@H](C)c1cccc(O)c1 ZINC000584650742 358305706 /nfs/dbraw/zinc/30/57/06/358305706.db2.gz YTHFAHPTDQDCOM-CHWSQXEVSA-N 0 0 220.356 4.712 10 0 BJAERN CCCCC[C@@H](C)[C@H](C)c1cccc(O)c1 ZINC000584650744 358305621 /nfs/dbraw/zinc/30/56/21/358305621.db2.gz YTHFAHPTDQDCOM-OLZOCXBDSA-N 0 0 220.356 4.712 10 0 BJAERN CCCCC[C@H](C)[C@@H](C)c1cccc(O)c1 ZINC000584650745 358305873 /nfs/dbraw/zinc/30/58/73/358305873.db2.gz YTHFAHPTDQDCOM-QWHCGFSZSA-N 0 0 220.356 4.712 10 0 BJAERN CCCCC[C@H](C)[C@H](C)c1cccc(O)c1 ZINC000584650746 358305751 /nfs/dbraw/zinc/30/57/51/358305751.db2.gz YTHFAHPTDQDCOM-STQMWFEESA-N 0 0 220.356 4.712 10 0 BJAERN CCCCCS[Si](CC)(CC)CC ZINC000584650885 358305726 /nfs/dbraw/zinc/30/57/26/358305726.db2.gz OJGOBENIRHIVDH-UHFFFAOYSA-N 0 0 218.482 4.915 10 0 BJAERN CCS[C@H](C)c1cccc([C@H](C)CC)c1O ZINC000584651147 358305555 /nfs/dbraw/zinc/30/55/55/358305555.db2.gz CKGYWUAEFZCJPG-GHMZBOCLSA-N 0 0 238.396 4.720 10 0 BJAERN CCS[C@@H](C)c1cccc([C@H](C)CC)c1O ZINC000584651149 358306422 /nfs/dbraw/zinc/30/64/22/358306422.db2.gz CKGYWUAEFZCJPG-MNOVXSKESA-N 0 0 238.396 4.720 10 0 BJAERN CCS[C@@H](C)c1cccc([C@@H](C)CC)c1O ZINC000584651150 358306436 /nfs/dbraw/zinc/30/64/36/358306436.db2.gz CKGYWUAEFZCJPG-QWRGUYRKSA-N 0 0 238.396 4.720 10 0 BJAERN CCS[C@H](C)c1cccc([C@@H](C)CC)c1O ZINC000584651151 358306132 /nfs/dbraw/zinc/30/61/32/358306132.db2.gz CKGYWUAEFZCJPG-WDEREUQCSA-N 0 0 238.396 4.720 10 0 BJAERN CCCCCCc1cc2ccccc2cc1OC ZINC000584651201 358306460 /nfs/dbraw/zinc/30/64/60/358306460.db2.gz AGSWIGHPSAGFDZ-UHFFFAOYSA-N 0 0 242.362 4.971 10 0 BJAERN Clc1nc2ccccc2cc1-c1ccsc1 ZINC000584651465 358306264 /nfs/dbraw/zinc/30/62/64/358306264.db2.gz UHHAFHBOCDSOSH-UHFFFAOYSA-N 0 0 245.734 4.617 10 0 BJAERN COC1=CCC2=C(CC[C@H](c3ccccc3)C2)C1 ZINC000584652084 358307046 /nfs/dbraw/zinc/30/70/46/358307046.db2.gz GYYLZWPJLDGMRX-AWEZNQCLSA-N 0 0 240.346 4.575 10 0 BJAERN COC1=CCC2=C(CC[C@@H](c3ccccc3)C2)C1 ZINC000584652085 358307193 /nfs/dbraw/zinc/30/71/93/358307193.db2.gz GYYLZWPJLDGMRX-CQSZACIVSA-N 0 0 240.346 4.575 10 0 BJAERN CCCCS/C(F)=C(\F)c1ccccc1 ZINC000584657131 358308857 /nfs/dbraw/zinc/30/88/57/358308857.db2.gz QVYQKQGQVHJVCA-QXMHVHEDSA-N 0 0 228.307 4.785 10 0 BJAERN Fc1ccc(-c2cccc(CC3CCC3)c2)cc1 ZINC000584880892 343081585 /nfs/dbraw/zinc/08/15/85/343081585.db2.gz QQIBJFDOJFUGGK-UHFFFAOYSA-N 0 0 240.321 4.835 10 0 BJAERN FCC[C@H](Sc1ccccc1)c1ccccc1 ZINC000606303910 351560270 /nfs/dbraw/zinc/56/02/70/351560270.db2.gz JTSCZZLNDKDONP-HNNXBMFYSA-N 0 0 246.350 4.880 10 0 BJAERN FCC[C@@H](Sc1ccccc1)c1ccccc1 ZINC000606303913 372093132 /nfs/dbraw/zinc/09/31/32/372093132.db2.gz JTSCZZLNDKDONP-OAHLLOKOSA-N 0 0 246.350 4.880 10 0 BJAERN Cc1ccc(-c2cc3cc(C)cc(C)n3c2)cc1 ZINC000616581853 349288247 /nfs/dbraw/zinc/28/82/47/349288247.db2.gz HEDLFRDTGRMIEX-UHFFFAOYSA-N 0 0 235.330 4.532 10 0 BJAERN CC(C)c1ccc(-c2cc3ccccn3c2)cc1 ZINC000616581883 349289479 /nfs/dbraw/zinc/28/94/79/349289479.db2.gz JMALDAIELCASBO-UHFFFAOYSA-N 0 0 235.330 4.730 10 0 BJAERN CC(C)(C)[C@@H]1CCN(C(C)(C)C)c2ccccc21 ZINC000616587040 349410747 /nfs/dbraw/zinc/41/07/47/349410747.db2.gz NJYRNIOSNAIBRI-CQSZACIVSA-N 0 0 245.410 4.825 10 0 BJAERN CC(C)(C)[C@H]1CCN(C(C)(C)C)c2ccccc21 ZINC000616590344 349969940 /nfs/dbraw/zinc/96/99/40/349969940.db2.gz NJYRNIOSNAIBRI-AWEZNQCLSA-N 0 0 245.410 4.825 10 0 BJAERN CCC[C@@H](O)CC/C=C(\C)CCC=C(C)C ZINC000616590737 350015096 /nfs/dbraw/zinc/01/50/96/350015096.db2.gz KDCGWBPROCYAQO-ATGUSINASA-N 0 0 224.388 4.620 10 0 BJAERN CCC[C@H](O)CC/C=C(\C)CCC=C(C)C ZINC000616590753 350015889 /nfs/dbraw/zinc/01/58/89/350015889.db2.gz KDCGWBPROCYAQO-GOFCXVBSSA-N 0 0 224.388 4.620 10 0 BJAERN CC(C)(C)[C@H]1Cc2ccccc2N(C(C)(C)C)C1 ZINC000616671631 351234196 /nfs/dbraw/zinc/23/41/96/351234196.db2.gz GNBICUKOXZNKTA-AWEZNQCLSA-N 0 0 245.410 4.510 10 0 BJAERN CC(C)(C)[C@@H]1Cc2ccccc2N(C(C)(C)C)C1 ZINC000616671965 351234567 /nfs/dbraw/zinc/23/45/67/351234567.db2.gz GNBICUKOXZNKTA-CQSZACIVSA-N 0 0 245.410 4.510 10 0 BJAERN O=Cc1ccc(C=C2CCCCCCC2)cc1 ZINC000675051208 538474001 /nfs/dbraw/zinc/47/40/01/538474001.db2.gz FAKLNPAZBAAOPG-UHFFFAOYSA-N 0 0 228.335 4.627 10 0 BJAERN O=Cc1cc(C=C2CCCCCCC2)cs1 ZINC000675051950 566375564 /nfs/dbraw/zinc/37/55/64/566375564.db2.gz YFVYIDWNOIXDIQ-UHFFFAOYSA-N 0 0 234.364 4.688 10 0 BJAERN Clc1cccc(-c2ccc3c(c2)C=CC3)c1 ZINC000675052809 583916245 /nfs/dbraw/zinc/91/62/45/583916245.db2.gz AAUDRJSFZBPARD-UHFFFAOYSA-N 0 0 226.706 4.576 10 0 BJAERN Clc1ccc(-c2ccc3c(c2)C=CC3)cc1 ZINC000675054218 566416387 /nfs/dbraw/zinc/41/63/87/566416387.db2.gz QHMDAYPBILUNGG-UHFFFAOYSA-N 0 0 226.706 4.576 10 0 BJAERN FC(F)c1cscc1-c1ccc2c(c1)C=CC2 ZINC000675054753 537975577 /nfs/dbraw/zinc/97/55/77/537975577.db2.gz YLWOCAYYHFDJDI-UHFFFAOYSA-N 0 0 248.297 4.922 10 0 BJAERN CC(C)c1csc(-c2cc(Cl)cs2)n1 ZINC000675076530 538510977 /nfs/dbraw/zinc/51/09/77/538510977.db2.gz OMEZJYIVZIKTIS-UHFFFAOYSA-N 0 0 243.784 4.648 10 0 BJAERN CC(C)(C)C1CCC(=C(F)Br)CC1 ZINC000685946801 538887930 /nfs/dbraw/zinc/88/79/30/538887930.db2.gz CBFQVTIDCHLBNW-UHFFFAOYSA-N 0 0 249.167 4.799 10 0 BJAERN Fc1ccc(-c2ccc3sccc3c2)cc1 ZINC000685948272 538890529 /nfs/dbraw/zinc/89/05/29/538890529.db2.gz FPCHREATWJTQIZ-UHFFFAOYSA-N 0 0 228.291 4.707 10 0 BJAERN CCCc1cc2ccccc2cc1Br ZINC000725245382 538001378 /nfs/dbraw/zinc/00/13/78/538001378.db2.gz CSYNAOAMXOBKJY-UHFFFAOYSA-N 0 0 249.151 4.555 10 0 BJAERN CC(C)c1cc2ccccc2cc1Cl ZINC000725245802 538003627 /nfs/dbraw/zinc/00/36/27/538003627.db2.gz HRUHPGDCBXERCH-UHFFFAOYSA-N 0 0 204.700 4.617 10 0 BJAERN CC(C)c1cc2ccccc2cc1Br ZINC000725246099 538004614 /nfs/dbraw/zinc/00/46/14/538004614.db2.gz JGRFOAXVUTXDSJ-UHFFFAOYSA-N 0 0 249.151 4.726 10 0 BJAERN CCCC1CCC(C(C)(C)Cl)CC1 ZINC000725261267 538086679 /nfs/dbraw/zinc/08/66/79/538086679.db2.gz AGCKPVZOFSXEQY-UHFFFAOYSA-N 0 0 202.769 4.610 10 0 BJAERN C[C@@H]1C[C@@H](C(C)(C)Br)CC(C)(C)C1 ZINC000725261329 538087083 /nfs/dbraw/zinc/08/70/83/538087083.db2.gz HNMAVCHNTCFHKF-NXEZZACHSA-N 0 0 247.220 4.622 10 0 BJAERN C[C@H]1C[C@H](C(C)(C)Br)CC(C)(C)C1 ZINC000725261330 538087247 /nfs/dbraw/zinc/08/72/47/538087247.db2.gz HNMAVCHNTCFHKF-UWVGGRQHSA-N 0 0 247.220 4.622 10 0 BJAERN C[C@H]1C[C@@H](C(C)(C)Br)CC(C)(C)C1 ZINC000725261331 538086872 /nfs/dbraw/zinc/08/68/72/538086872.db2.gz HNMAVCHNTCFHKF-VHSXEESVSA-N 0 0 247.220 4.622 10 0 BJAERN C[C@@H]1C[C@H](C(C)(C)Br)CC(C)(C)C1 ZINC000725261332 538087065 /nfs/dbraw/zinc/08/70/65/538087065.db2.gz HNMAVCHNTCFHKF-ZJUUUORDSA-N 0 0 247.220 4.622 10 0 BJAERN CCCC1CCC(C(C)(C)Br)CC1 ZINC000725261428 538087192 /nfs/dbraw/zinc/08/71/92/538087192.db2.gz MKCOPWNPPAIUTL-UHFFFAOYSA-N 0 0 247.220 4.766 10 0 BJAERN CC(C)C1CCC(C(C)(C)Br)CC1 ZINC000725261455 538086955 /nfs/dbraw/zinc/08/69/55/538086955.db2.gz PSJZNPHXVVHJDF-UHFFFAOYSA-N 0 0 247.220 4.622 10 0 BJAERN CC(C)(C)C1CCC(C(C)(C)Cl)CC1 ZINC000725261523 538086851 /nfs/dbraw/zinc/08/68/51/538086851.db2.gz YJQGLXIJTYSTGZ-UHFFFAOYSA-N 0 0 216.796 4.856 10 0 BJAERN Cc1ccc(-c2ccc(F)c(Cl)c2)c(C)c1 ZINC000725269882 538102177 /nfs/dbraw/zinc/10/21/77/538102177.db2.gz ADRAXPBACSINJH-UHFFFAOYSA-N 0 0 234.701 4.763 10 0 BJAERN Cc1ccc(-c2ccc(Cl)c(F)c2)c(C)c1 ZINC000725270842 538102555 /nfs/dbraw/zinc/10/25/55/538102555.db2.gz SSWUSTNRILYZFL-UHFFFAOYSA-N 0 0 234.701 4.763 10 0 BJAERN CC(C)=CCCCc1ccc(Cl)c(C)c1 ZINC000757155907 582539632 /nfs/dbraw/zinc/53/96/32/582539632.db2.gz FJDAOLDYYOCFGB-UHFFFAOYSA-N 0 0 222.759 4.937 10 0 BJAERN C=C/C=C/CCCc1ccc(Cl)c(C)c1 ZINC000757156403 582540765 /nfs/dbraw/zinc/54/07/65/582540765.db2.gz IOKQONYEHYXFEG-SNAWJCMRSA-N 0 0 220.743 4.713 10 0 BJAERN Cc1cc(CCC2CC=CC2)ccc1Cl ZINC000757161914 582545645 /nfs/dbraw/zinc/54/56/45/582545645.db2.gz YUOCBZBSRKBRGL-UHFFFAOYSA-N 0 0 220.743 4.547 10 0 BJAERN Cc1cc(CCC2=CCCC2)ccc1Cl ZINC000757162031 586431499 /nfs/dbraw/zinc/43/14/99/586431499.db2.gz ZRHLWWOZARVMRB-UHFFFAOYSA-N 0 0 220.743 4.691 10 0 BJAERN CC(C)c1ccc2c(c1)C1(CCCC1)CCC2=O ZINC000757186365 586434788 /nfs/dbraw/zinc/43/47/88/586434788.db2.gz HJQPJPVYYFCMDG-UHFFFAOYSA-N 0 0 242.362 4.598 10 0 BJAERN O=C1CCC2(CCCCC2)c2cccc(Cl)c21 ZINC000757186976 586434583 /nfs/dbraw/zinc/43/45/83/586434583.db2.gz JLUIFDNAPRXJLC-UHFFFAOYSA-N 0 0 248.753 4.518 10 0 BJAERN CCC1(CC)CCC(=O)c2ccc(C(C)C)cc21 ZINC000757190300 582555867 /nfs/dbraw/zinc/55/58/67/582555867.db2.gz VFHRRGCCTIQUJH-UHFFFAOYSA-N 0 0 244.378 4.844 10 0 BJAERN O=C1CCC2(CCCCC2)c2cc(Cl)ccc21 ZINC000757190740 643363150 /nfs/dbraw/zinc/36/31/50/643363150.db2.gz ZNKSPQLSAGUNKZ-UHFFFAOYSA-N 0 0 248.753 4.518 10 0 BJAERN Nc1cc(Cl)c(C2=CCCCC2)c(Cl)c1 ZINC000757564462 586254331 /nfs/dbraw/zinc/25/43/31/586254331.db2.gz BBWBQRMGJATDHI-UHFFFAOYSA-N 0 0 242.149 4.533 10 0 BJAERN Fc1cc(C(F)(F)F)ccc1-c1cccs1 ZINC000757565341 586270964 /nfs/dbraw/zinc/27/09/64/586270964.db2.gz CAFQNSYGMPHUPA-UHFFFAOYSA-N 0 0 246.228 4.573 10 0 BJAERN CC1(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1 ZINC000757566533 586461826 /nfs/dbraw/zinc/46/18/26/586461826.db2.gz FZPCIHVKDSFYRT-UHFFFAOYSA-N 0 0 244.284 4.683 10 0 BJAERN CC1(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000757567370 586310166 /nfs/dbraw/zinc/31/01/66/586310166.db2.gz HYRCRGYMFNJUTF-UHFFFAOYSA-N 0 0 226.294 4.544 10 0 BJAERN COc1ccc(C(C)(C)C)cc1C1=CCCCC1 ZINC000757568482 586462021 /nfs/dbraw/zinc/46/20/21/586462021.db2.gz RLLFDJBEHKIMCW-UHFFFAOYSA-N 0 0 244.378 4.950 10 0 BJAERN CC(C)=C(C)c1ccc(C(F)(F)F)cc1F ZINC000757568925 586462175 /nfs/dbraw/zinc/46/21/75/586462175.db2.gz TUEJUIOGBROMKC-UHFFFAOYSA-N 0 0 232.220 4.658 10 0 BJAERN CC(C)=C(C)c1ccc(OC(F)(F)F)cc1C ZINC000757569032 586462394 /nfs/dbraw/zinc/46/23/94/586462394.db2.gz VDLUJAPLKHHTSG-UHFFFAOYSA-N 0 0 244.256 4.707 10 0 BJAERN CC1(c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000757569692 586376463 /nfs/dbraw/zinc/37/64/63/586376463.db2.gz WBLZXYMSDSNZGP-UHFFFAOYSA-N 0 0 226.294 4.544 10 0 BJAERN Cc1ccc(-c2cccc(C3(C)CC3)c2)c(F)c1 ZINC000757572187 586382234 /nfs/dbraw/zinc/38/22/34/586382234.db2.gz OZLFUWNWGYJEOZ-UHFFFAOYSA-N 0 0 240.321 4.853 10 0 BJAERN Cc1ccc(-c2ccccc2C2(C)CC2)c(F)c1 ZINC000757572827 586382689 /nfs/dbraw/zinc/38/26/89/586382689.db2.gz UJDSZJPJNAETJL-UHFFFAOYSA-N 0 0 240.321 4.853 10 0 BJAERN