smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCNc1cc(C)nc2c(-c3ccc(C)cc3)c(C)nn21 ZINC000095558887 185379845 /nfs/dbraw/zinc/37/98/45/185379845.db2.gz PDDCFZKPGYNABC-UHFFFAOYSA-N 0 0 324.428 3.770 1 0 DHAFRN CC(C)C[C@@H]1Cc2[nH][nH]c(=O)c2[C@H](CCc2ccccc2)O1 ZINC000095565250 185380325 /nfs/dbraw/zinc/38/03/25/185380325.db2.gz MOGRHVHAVRPXAQ-ZBFHGGJFSA-N 0 0 300.402 3.777 3 0 DHAFRN COc1ccc2cc(Cn3ccnc3)n(-c3ccccc3)c2c1 ZINC000095590134 185381946 /nfs/dbraw/zinc/38/19/46/185381946.db2.gz VHKSVRCCEWPADE-UHFFFAOYSA-N 0 0 303.365 3.884 1 0 DHAFRN COC(=O)c1ccc(Cl)cc1N(C)c1ccc(OC)cc1 ZINC000096910982 185391045 /nfs/dbraw/zinc/39/10/45/185391045.db2.gz YVMCASKEHBSJQW-UHFFFAOYSA-N 0 0 305.761 3.903 1 0 DHAFRN FC1(F)CCC(Nc2nc3ccccc3n3ccnc23)CC1 ZINC000096914238 185391154 /nfs/dbraw/zinc/39/11/54/185391154.db2.gz FGQIQTKNMOQROC-UHFFFAOYSA-N 0 0 302.328 3.872 1 0 DHAFRN O=C1NC[C@H](c2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 ZINC000096929897 185392238 /nfs/dbraw/zinc/39/22/38/185392238.db2.gz OZKUXEIZXWPRFX-CABCVRRESA-N 0 0 306.192 3.991 1 0 DHAFRN c1ncn([C@H](c2ccc(OCc3ccccc3)cc2)C2CC2)n1 ZINC000096938119 185393036 /nfs/dbraw/zinc/39/30/36/185393036.db2.gz BOXNZAPVQCNLTH-IBGZPJMESA-N 0 0 305.381 3.857 1 0 DHAFRN COc1ccc(-c2ccnc(N(C)C)n2)cc1OC1CCCC1 ZINC000096937570 185393039 /nfs/dbraw/zinc/39/30/39/185393039.db2.gz NOSQOVNRLAIRFS-UHFFFAOYSA-N 0 0 313.401 3.540 1 0 DHAFRN O=C(c1cccc(O)c1)c1cccc(-c2ccc(O)c(F)c2)n1 ZINC000082154882 192361730 /nfs/dbraw/zinc/36/17/30/192361730.db2.gz APAAQEJITASAPV-UHFFFAOYSA-N 0 0 309.296 3.530 1 0 DHAFRN C/C1=C\[C@H](O)C[C@@](C)(O)/C=C\[C@H](C(C)C)C[C@@H](O)/C(C)=C\CC1 ZINC000169364396 197746039 /nfs/dbraw/zinc/74/60/39/197746039.db2.gz WDCMCDJDSRVSJN-ZFSUHJESSA-N 0 0 322.489 3.754 1 0 DHAFRN c1nnc(-c2sc(-c3ccncc3)nc2-c2ccccc2)o1 ZINC000169342561 197744705 /nfs/dbraw/zinc/74/47/05/197744705.db2.gz DPDDSLRIUUHLBL-UHFFFAOYSA-N 0 0 306.350 3.922 1 0 DHAFRN C[C@]1(C(=O)NCCc2csc(Cl)c2)CC1(Cl)Cl ZINC000103286758 185444466 /nfs/dbraw/zinc/44/44/66/185444466.db2.gz ZRHCUSWMBRECDR-SNVBAGLBSA-N 0 0 312.649 3.644 1 0 DHAFRN COc1ccc(/C=C(\C)[N+](=O)[O-])cc1OC(=O)c1ccccc1 ZINC000064528287 190702477 /nfs/dbraw/zinc/70/24/77/190702477.db2.gz QXQUAKISAYXZJC-ZRDIBKRKSA-N 0 0 313.309 3.552 1 0 DHAFRN COC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc21 ZINC000072139921 191047666 /nfs/dbraw/zinc/04/76/66/191047666.db2.gz GAVMWROQPLVBQA-UHFFFAOYSA-N 0 0 300.745 3.530 1 0 DHAFRN CCS(=O)(=O)c1ccc2c(c1)nc(C1CCC1)n2CC1CC1 ZINC000072109088 191038077 /nfs/dbraw/zinc/03/80/77/191038077.db2.gz BYWVJEKWPQCEED-UHFFFAOYSA-N 0 0 318.442 3.507 1 0 DHAFRN CCCOc1nn2cc(-c3ccc(OCC)cc3)nc2cc1C ZINC000072173145 191069990 /nfs/dbraw/zinc/06/99/90/191069990.db2.gz ZZYVSWXPPZHOOA-UHFFFAOYSA-N 0 0 311.385 3.892 1 0 DHAFRN COC(=O)c1cccc(-c2ccc3c(ccc(O)c3C=O)c2)c1 ZINC000146824709 186038695 /nfs/dbraw/zinc/03/86/95/186038695.db2.gz WXSWAZIIQXYJAM-UHFFFAOYSA-N 0 0 306.317 3.812 1 0 DHAFRN COc1cc(/C=C/c2cc(OC)c(F)c(OC)c2)ccc1O ZINC000084711711 192459078 /nfs/dbraw/zinc/45/90/78/192459078.db2.gz CJYVSVVKHLOSRC-SNAWJCMRSA-N 0 0 304.317 3.728 1 0 DHAFRN O=C(NC1CCCC1)c1cn(Cc2ccccc2)c2ncccc12 ZINC000072323263 191122124 /nfs/dbraw/zinc/12/21/24/191122124.db2.gz ZJVTWOCOJUKPJJ-UHFFFAOYSA-N 0 0 319.408 3.757 2 0 DHAFRN CCCCCC[C@H](O)CC(=O)CCc1ccc(OC)c(OC)c1 ZINC000059587269 290922714 /nfs/dbraw/zinc/92/27/14/290922714.db2.gz AGDUZYZCUABRSP-INIZCTEOSA-N 0 0 322.445 3.927 1 0 biogenic,in-vitro DHAFRN CCCCC[C@@H](O)/C=C\CCCC[C@H](CC[NH3+])CCC(=O)[O-] ZINC000085505978 290922715 /nfs/dbraw/zinc/92/27/15/290922715.db2.gz CEGPHSSYPPEJRZ-BEBBCNLGSA-N 0 0 313.482 3.874 1 0 biogenic,in-vitro DHAFRN CCCCC[C@@H](O)/C=C\CCC[C@H](CCCC(=O)[O-])C[NH2+]C ZINC000085506096 290922717 /nfs/dbraw/zinc/92/27/17/290922717.db2.gz DVGKQXALZVVROU-QIXZXHIJSA-N 0 0 313.482 3.745 1 0 biogenic,in-vitro DHAFRN C[C@H]1C(=O)CC[C@H]2C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CC[C@@H]12 ZINC000095913983 290924773 /nfs/dbraw/zinc/92/47/73/290924773.db2.gz ZVOSNTPXWLRWJG-YEKYJYDZSA-N 0 0 314.381 3.835 1 0 biogenic,in-vitro DHAFRN Cc1cc2c(cc1C)C(=O)[C@@]1(Cc3cc4c(cc3C1=O)CCC4)C2 ZINC000003598229 181038397 /nfs/dbraw/zinc/03/83/97/181038397.db2.gz RIKFMTJIAUIXIL-QFIPXVFZSA-N 0 0 316.400 3.956 1 0 DHAFRN Cc1ccnn1-c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000003909554 181057088 /nfs/dbraw/zinc/05/70/88/181057088.db2.gz XPKWZTXHOSJHKZ-UHFFFAOYSA-N 0 0 322.265 3.796 1 0 DHAFRN O=c1[nH]c(-c2ccccc2)nc2ccc3c(ccn3CC3CC3)c21 ZINC000073224624 191295823 /nfs/dbraw/zinc/29/58/23/191295823.db2.gz QEKPAIGCXNWDNO-UHFFFAOYSA-N 0 0 315.376 3.955 1 0 DHAFRN CCc1nc2nc(C)cc(Nc3ccc(C(F)(F)F)cc3)n2n1 ZINC000073310305 191304142 /nfs/dbraw/zinc/30/41/42/191304142.db2.gz XIKSNOVEDQVYJE-UHFFFAOYSA-N 0 0 321.306 3.758 1 0 DHAFRN Cc1ccc(Nc2nc3ccc(Cl)cc3n3cnnc23)cc1 ZINC000004835043 181159240 /nfs/dbraw/zinc/15/92/40/181159240.db2.gz JBJRRSHYDTWTHD-UHFFFAOYSA-N 0 0 309.760 3.983 1 0 DHAFRN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)OCC(=O)c1c[nH]c2ccccc12 ZINC000004869988 181166523 /nfs/dbraw/zinc/16/65/23/181166523.db2.gz UDWSHUCYAMNLOT-MJBXVCDLSA-N 0 0 311.381 3.720 1 0 DHAFRN CC(=O)c1c2c(cc3c1C[C@]1(Cc4ccccc4C1=O)C3)CCC2 ZINC000005713041 181275296 /nfs/dbraw/zinc/27/52/96/181275296.db2.gz OTWFZTTTYHBYQY-QFIPXVFZSA-N 0 0 316.400 3.902 1 0 DHAFRN O=C1CCC(c2ccccc2)=NN1c1nsc2ccccc21 ZINC000005844072 181288246 /nfs/dbraw/zinc/28/82/46/181288246.db2.gz LJWKIFNQFUEEQL-UHFFFAOYSA-N 0 0 307.378 3.827 1 0 DHAFRN CC(C)(C)NC(=O)N1N=C(c2ccccc2)[C@@H]1c1ccccc1 ZINC000005846788 181289366 /nfs/dbraw/zinc/28/93/66/181289366.db2.gz TYTIDWTYCZLJAJ-KRWDZBQOSA-N 0 0 307.397 3.956 1 0 DHAFRN CCN1C(=S)n2cccc2[C@H]1CC(=O)c1ccc(Cl)cc1 ZINC000006019128 181306105 /nfs/dbraw/zinc/30/61/05/181306105.db2.gz VIZFXTAZCFOHAF-CQSZACIVSA-N 0 0 318.829 3.924 1 0 DHAFRN c1cc2cc3c(cc2o1)OC[C@@H]1c2cc4c(cc2O[C@@H]31)OCO4 ZINC000006119191 181313988 /nfs/dbraw/zinc/31/39/88/181313988.db2.gz VZDPNKZCXYBWLM-XIKOKIGWSA-N 0 0 308.289 3.771 1 0 DHAFRN O=C1CS[C@H](c2c(F)cccc2Cl)N1C1[C@H](F)C[C@H]1F ZINC000195445703 201391464 /nfs/dbraw/zinc/39/14/64/201391464.db2.gz DLQRNKHFFLIFAL-JRKPZEMJSA-N 0 0 321.751 3.502 1 0 DHAFRN CCOC(=O)c1ccc(-n2c(C)c3c(c2C)c(C)nnc3C)cc1 ZINC000006751546 181383264 /nfs/dbraw/zinc/38/32/64/181383264.db2.gz OFPQSYCBSMYJQI-UHFFFAOYSA-N 0 0 323.396 3.831 1 0 DHAFRN C[C@H](CNc1nnc2c3ccccc3n(C)c2n1)c1ccccc1 ZINC000006781635 181387528 /nfs/dbraw/zinc/38/75/28/181387528.db2.gz MQBRWKGPZLMEKS-CYBMUJFWSA-N 0 0 317.396 3.732 1 0 DHAFRN COc1cccc2cc(C(=O)c3cc4cc(O)ccc4[nH]3)[nH]c21 ZINC000013687756 181879661 /nfs/dbraw/zinc/87/96/61/181879661.db2.gz GVYNYFKEQPWOCQ-UHFFFAOYSA-N 0 0 306.321 3.594 1 0 DHAFRN CC(=O)Nc1c2ccc(Cl)cc2[nH]c(=O)c1-c1ccccc1 ZINC000013761229 181891231 /nfs/dbraw/zinc/89/12/31/181891231.db2.gz QNPNXBNOXXNSGL-UHFFFAOYSA-N 0 0 312.756 3.807 1 0 DHAFRN C=C(C(=C)N1N=N[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]21)N1N=N[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]21 ZINC000017196301 182079198 /nfs/dbraw/zinc/07/91/98/182079198.db2.gz PYAXCCCKTBSPGX-KJUMLMGVSA-N 0 0 324.432 3.714 1 0 DHAFRN C[C@H]1NC(=O)[C@H](C)[C@@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 ZINC000017192772 182079352 /nfs/dbraw/zinc/07/93/52/182079352.db2.gz NGMGPYNQJAKUED-KNCCTNLNSA-N 0 0 323.396 3.607 1 0 DHAFRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1Cc1c[nH]nc12 ZINC000017311435 182082858 /nfs/dbraw/zinc/08/28/58/182082858.db2.gz NLDGHLGLNVFXFH-UQZPWQSVSA-N 0 0 312.457 3.747 1 0 DHAFRN Cc1cc(C)n([C@H](C)CC(=O)Nc2cc(C)nc3ccccc32)n1 ZINC000020603056 182237334 /nfs/dbraw/zinc/23/73/34/182237334.db2.gz YSBGDPKZQXXUSM-OAHLLOKOSA-N 0 0 322.412 3.946 1 0 DHAFRN COc1ccc(-c2onc3c2C(=O)c2ccccc2-3)cc1OC ZINC000098083308 193783565 /nfs/dbraw/zinc/78/35/65/193783565.db2.gz YFRQUQJOOJBHDV-UHFFFAOYSA-N 0 0 307.305 3.570 1 0 DHAFRN S=C(NCc1ccccc1)[C@]1(c2ccccn2)CCCS1 ZINC000026732885 182451480 /nfs/dbraw/zinc/45/14/80/182451480.db2.gz CKRXOYNNGMXSGJ-QGZVFWFLSA-N 0 0 314.479 3.921 1 0 DHAFRN CC(C)(C)CCNC(=O)c1ccc(C(=O)C(F)(F)F)cc1 ZINC000028880405 182543604 /nfs/dbraw/zinc/54/36/04/182543604.db2.gz VZXYCRYNZJRGBG-UHFFFAOYSA-N 0 0 301.308 3.598 1 0 DHAFRN COC(=O)c1cc2c3ccc[nH]c-3nc2c(-c2ccccc2)n1 ZINC000028867773 182542625 /nfs/dbraw/zinc/54/26/25/182542625.db2.gz DLAHRQGFXIOXLP-UHFFFAOYSA-N 0 0 303.321 3.565 1 0 DHAFRN COC(=O)c1c(Cl)cccc1NC(=O)c1ccccc1C ZINC000028956571 182547081 /nfs/dbraw/zinc/54/70/81/182547081.db2.gz ALWMWUNSHVZDIK-UHFFFAOYSA-N 0 0 303.745 3.687 1 0 DHAFRN O=C(Nc1cccc2n[nH]cc21)N[C@@H]1CCc2cc(F)ccc21 ZINC000028964640 182547944 /nfs/dbraw/zinc/54/79/44/182547944.db2.gz JBNOOOTYPGAENR-OAHLLOKOSA-N 0 0 310.332 3.511 1 0 DHAFRN CCN(CC)c1nn2c(-c3ccccc3)nnc2c2ccccc21 ZINC000033891505 182724917 /nfs/dbraw/zinc/72/49/17/182724917.db2.gz MYVVUIHTMICTCX-UHFFFAOYSA-N 0 0 317.396 3.791 1 0 DHAFRN COc1ccc2[nH]c(SCc3n[nH]c4ccccc43)nc2c1 ZINC000040422316 183064711 /nfs/dbraw/zinc/06/47/11/183064711.db2.gz JCHABRQKSUKSNP-UHFFFAOYSA-N 0 0 310.382 3.740 1 0 DHAFRN C[S@@](=O)c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1 ZINC000040631781 183111642 /nfs/dbraw/zinc/11/16/42/183111642.db2.gz SCOLTQOFVNCGQC-QFIPXVFZSA-N 0 0 318.348 3.759 1 0 DHAFRN Clc1ccc2c(c1)N=C(N1CCOCC1)c1ccccc1N2 ZINC000040565862 183103623 /nfs/dbraw/zinc/10/36/23/183103623.db2.gz ISVAZLCELPGTDR-UHFFFAOYSA-N 0 0 313.788 3.808 1 0 DHAFRN c1n[nH]cc1-c1ccc2nc([C@H]3COc4ccccc4C3)oc2c1 ZINC000040860561 183143916 /nfs/dbraw/zinc/14/39/16/183143916.db2.gz SZVIMUNJLGYDLN-CQSZACIVSA-N 0 0 317.348 3.937 1 0 DHAFRN CC(C)=CCOc1ccc(C2=C(CC(C)C)[C@@H](O)OC2=O)cc1 ZINC000040897044 183147245 /nfs/dbraw/zinc/14/72/45/183147245.db2.gz WALOFELUZXOXIJ-SFHVURJKSA-N 0 0 316.397 3.707 1 0 DHAFRN CCCOCCCNC(=S)Nc1cc(C)ccc1Cl ZINC000040954053 183150469 /nfs/dbraw/zinc/15/04/69/183150469.db2.gz KDGTXVFBOXLQQI-UHFFFAOYSA-N 0 0 300.855 3.752 1 0 DHAFRN Cc1ccc(C2=NN[C@@H](c3ccc(C)cc3)[C@@H]2n2ccnc2)cc1 ZINC000040875133 183145278 /nfs/dbraw/zinc/14/52/78/183145278.db2.gz KKLXCCYADSXCKJ-ICSRJNTNSA-N 0 0 316.408 3.790 1 0 DHAFRN COc1ccc(Sc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000042924150 183319418 /nfs/dbraw/zinc/31/94/18/183319418.db2.gz WQRZZYOXMWAVJV-UHFFFAOYSA-N 0 0 306.383 3.872 1 0 DHAFRN COC(=O)[C@H]1[C@H](/C=C/c2c(F)c(F)c(F)c(F)c2F)C1(C)C ZINC000103272366 193925475 /nfs/dbraw/zinc/92/54/75/193925475.db2.gz NMYAPULNYVVYSC-ODAVYXMRSA-N 0 0 320.257 3.841 1 0 DHAFRN COc1cc2c(c(OC)c1)/C(=C/c1ccc(Cl)cc1)C(=O)O2 ZINC000053294600 183897108 /nfs/dbraw/zinc/89/71/08/183897108.db2.gz NGWDVMQRPQFFAR-QPEQYQDCSA-N 0 0 316.740 3.817 1 0 DHAFRN Cc1nc2c(ncnc2N[C@H](CC(C)(C)C)c2cccnc2)o1 ZINC000055307488 183978495 /nfs/dbraw/zinc/97/84/95/183978495.db2.gz VYNAFWGNJXAIGP-CYBMUJFWSA-N 0 0 311.389 3.911 1 0 DHAFRN Cc1cc(C(N)=O)nn1-c1cccc(-c2ccccc2Cl)c1 ZINC000058582120 184123799 /nfs/dbraw/zinc/12/37/99/184123799.db2.gz VWNFLYGCSVZGIU-UHFFFAOYSA-N 0 0 311.772 3.600 1 0 DHAFRN COc1ccc([C@](C)(O)c2nc(-c3ccoc3)cs2)cc1 ZINC000061898632 184193472 /nfs/dbraw/zinc/19/34/72/184193472.db2.gz GDQZZTOSTJHPET-INIZCTEOSA-N 0 0 301.367 3.668 3 0 DHAFRN COc1cccc(-c2c[nH]c([C@@H](O)c3cc(C)ccc3C)n2)c1 ZINC000061902854 184193651 /nfs/dbraw/zinc/19/36/51/184193651.db2.gz KCMCHKFLZPSIIH-SFHVURJKSA-N 0 0 308.381 3.784 3 0 DHAFRN O[C@H](c1nc(-c2ccccc2Cl)c[nH]1)c1ccc(F)cc1 ZINC000061904562 184193975 /nfs/dbraw/zinc/19/39/75/184193975.db2.gz QUAJBYRYDDANAV-HNNXBMFYSA-N 0 0 302.736 3.951 3 0 DHAFRN COc1cccc([C@](C)(O)c2nc(-c3ccoc3)cs2)c1 ZINC000061904138 184194043 /nfs/dbraw/zinc/19/40/43/184194043.db2.gz LADCQWLDQGOIJK-INIZCTEOSA-N 0 0 301.367 3.668 3 0 DHAFRN Cc1ccccc1NC(=O)N1OC[C@@H]2COc3ccccc3[C@@H]21 ZINC000062225485 184224298 /nfs/dbraw/zinc/22/42/98/184224298.db2.gz SJQMQJGTHPJVNF-SUMWQHHRSA-N 0 0 310.353 3.524 1 0 DHAFRN Cc1ccc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc2n1 ZINC000064479792 184298069 /nfs/dbraw/zinc/29/80/69/184298069.db2.gz KFBBXKBRSICFJT-UHFFFAOYSA-N 0 0 318.384 3.513 1 0 DHAFRN C[C@@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(F)(F)F ZINC000064512304 184298841 /nfs/dbraw/zinc/29/88/41/184298841.db2.gz ISJKPUWGGXLQCI-MRVPVSSYSA-N 0 0 308.259 3.824 1 0 DHAFRN CC(C)c1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=O)cc1 ZINC000064549820 184299570 /nfs/dbraw/zinc/29/95/70/184299570.db2.gz QMCHYFYKHHZEHN-UHFFFAOYSA-N 0 0 315.756 3.721 1 0 DHAFRN Nc1ncnc2c1c(-c1ccc3cc[nH]c3c1)nn2C1CCCC1 ZINC000064553627 184299580 /nfs/dbraw/zinc/29/95/80/184299580.db2.gz ZSAJPWOGVMFXHN-UHFFFAOYSA-N 0 0 318.384 3.672 1 0 DHAFRN O=C1C[C@H](c2ccc3ccccc3n2)c2c(n[nH]c2C2CCC2)N1 ZINC000065463617 184349578 /nfs/dbraw/zinc/34/95/78/184349578.db2.gz RUMKOQMZTOJEKD-CYBMUJFWSA-N 0 0 318.380 3.700 1 0 DHAFRN CCOC(=O)c1cc2ccc(-c3ccc(C)cc3)cc2oc1=O ZINC000066104806 184389994 /nfs/dbraw/zinc/38/99/94/184389994.db2.gz LBFXPKGEKUYXHW-UHFFFAOYSA-N 0 0 308.333 3.945 1 0 DHAFRN c1cncc(-c2cc(N3CCCCC3)nc(-c3ccncc3)n2)c1 ZINC000001498050 134445802 /nfs/dbraw/zinc/44/58/02/134445802.db2.gz GDTPLPCMDMBXNI-UHFFFAOYSA-N 0 0 317.396 3.591 1 0 DHAFRN Cc1cc(C)c(Nc2nc(C)nc(N3CC=CCC3)n2)c(C)c1 ZINC000013759950 134516131 /nfs/dbraw/zinc/51/61/31/134516131.db2.gz SWNUGVFSHQGFBA-UHFFFAOYSA-N 0 0 309.417 3.615 1 0 DHAFRN CC[C@]12CCC(=O)n3ccc(c31)-c1ccccc1NC(=O)CC2 ZINC000014686329 517840694 /nfs/dbraw/zinc/84/06/94/517840694.db2.gz TXWKUWXSHGUINF-IBGZPJMESA-N 0 0 308.381 3.969 1 0 DHAFRN O=C(/C=C\C=C/C=C\c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000070455150 560047435 /nfs/dbraw/zinc/04/74/35/560047435.db2.gz DLKOUKNODPCIHZ-LRUJQQLNSA-N 0 0 311.381 3.553 1 0 biogenic,in-vitro DHAFRN COc1cc(CCC(=O)C[C@H](O)CCC2CCCC2)ccc1O ZINC000085597528 560063077 /nfs/dbraw/zinc/06/30/77/560063077.db2.gz CGMZDHMKHOUSGY-MRXNPFEDSA-N 0 0 320.429 3.624 1 0 biogenic,in-vitro DHAFRN C[C@]12CCc3occc3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000061389527 571771639 /nfs/dbraw/zinc/77/16/39/571771639.db2.gz DNJVYWXIDISQRD-VFJCVXFOSA-N 0 0 316.441 3.639 3 0 endogenous,in-man DHAFRN CCN(C)c1ccccc1NC(=O)Cc1cccc(Cl)c1 ZINC000095554640 185379759 /nfs/dbraw/zinc/37/97/59/185379759.db2.gz IRVNKVZOFKSNRL-UHFFFAOYSA-N 0 0 302.805 3.977 1 0 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319.361 3.681 3 0 DHAFRN CC(=O)Nc1cccc(-c2csc([C@@H](O)c3ccccc3)n2)c1 ZINC000061897088 184193193 /nfs/dbraw/zinc/19/31/93/184193193.db2.gz DFTXTQFWYWAKRB-KRWDZBQOSA-N 0 0 324.405 3.850 3 0 DHAFRN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000062213086 184221431 /nfs/dbraw/zinc/22/14/31/184221431.db2.gz UVMMHSQLCWLMFT-LJQANCHMSA-N 0 0 308.381 3.701 1 0 DHAFRN COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1 ZINC000064559318 184299527 /nfs/dbraw/zinc/29/95/27/184299527.db2.gz KSZHRLGDJPCAID-UHFFFAOYSA-N 0 0 314.366 3.593 1 0 DHAFRN CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(F)cc1 ZINC000064633725 184301472 /nfs/dbraw/zinc/30/14/72/184301472.db2.gz HYFQTUMPGFFHCP-KRWDZBQOSA-N 0 0 300.308 3.662 1 0 DHAFRN CC(=O)c1ccc2cc([C@](O)(c3c[nH]cn3)C(C)C)ccc2c1 ZINC000066076894 184387081 /nfs/dbraw/zinc/38/70/81/184387081.db2.gz HVVULDASPWETLY-IBGZPJMESA-N 0 0 308.381 3.657 1 0 DHAFRN COc1ccc(Nc2nnc(-c3ccc(N(C)C)cc3)o2)cc1 ZINC000066260261 184399266 /nfs/dbraw/zinc/39/92/66/184399266.db2.gz JXUAAMZOBXYIPJ-UHFFFAOYSA-N 0 0 310.357 3.555 1 0 DHAFRN C[C@]12C[C@]34C[C@H]1[C@H]2C[C@H]3[C@]1(C)CC[C@@H](O)[C@](C)(CO)[C@@]1(C)CC4 ZINC000095910706 560058502 /nfs/dbraw/zinc/05/85/02/560058502.db2.gz HBNLQWKPNRTRCQ-LZSBJMNBSA-N 0 0 318.501 3.999 1 0 biogenic,in-vitro DHAFRN CCCCCC(=O)C=C(O)CCc1ccc(O)c2c1CCCO2 ZINC000085627220 560069036 /nfs/dbraw/zinc/06/90/36/560069036.db2.gz IJGLAIOALWMVKI-UHFFFAOYSA-N 0 0 318.413 3.758 1 0 biogenic,in-vitro DHAFRN COc1ccc(Cc2nccc3cc(OC)c(OC)cc32)cc1 ZINC000013220565 560213743 /nfs/dbraw/zinc/21/37/43/560213743.db2.gz RVTQRSDLGBOKCF-UHFFFAOYSA-N 0 0 309.365 3.851 1 0 biogenic,in-vitro DHAFRN CCCCC[C@H](O)CC(=O)CCc1ccc(OC)c(OC)c1 ZINC000015257102 571737807 /nfs/dbraw/zinc/73/78/07/571737807.db2.gz CTGAPJBPSCUFRO-HNNXBMFYSA-N 0 0 308.418 3.537 1 0 endogenous,in-man DHAFRN CC1=C(CC[C@@](C)(O)[C@@H](O)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 ZINC000100778205 571826879 /nfs/dbraw/zinc/82/68/79/571826879.db2.gz TWZQRBKMQYAKGQ-RAUXBKROSA-N 0 0 324.505 3.814 1 0 endogenous,in-man DHAFRN O=c1cc(CCCCc2ccc3c(c2)OCO3)[nH]c2ccccc12 ZINC000014591305 574413558 /nfs/dbraw/zinc/41/35/58/574413558.db2.gz WVIITJBBQPBPEB-UHFFFAOYSA-N 0 0 321.376 3.822 1 0 endogenous,in-man DHAFRN CC1=C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCC[C@@](C)(CO)[C@@H]1C[C@@H]3O ZINC000100780476 574418878 /nfs/dbraw/zinc/41/88/78/574418878.db2.gz BATFJLLEMUIAJD-QTCMIBMWSA-N 0 0 304.474 3.919 1 0 endogenous,in-man DHAFRN COc1cccc(OCC(=O)Nc2ccc3nc(C)ccc3c2)c1 ZINC000095557454 185379592 /nfs/dbraw/zinc/37/95/92/185379592.db2.gz WILZRTRWZZAFMO-UHFFFAOYSA-N 0 0 322.364 3.569 1 0 DHAFRN COc1ccccc1-c1ccc2c(c1)SC(=N)N1CCCN=C21 ZINC000095574926 185380617 /nfs/dbraw/zinc/38/06/17/185380617.db2.gz GVXJEGMYMFPPKL-UHFFFAOYSA-N 0 0 323.421 3.855 1 0 DHAFRN CCCSc1ncccc1C(=O)NC1CCC(F)(F)CC1 ZINC000095579962 185381161 /nfs/dbraw/zinc/38/11/61/185381161.db2.gz XDYMNTTUQHFPGU-UHFFFAOYSA-N 0 0 314.401 3.891 1 0 DHAFRN CCCc1nc2ccccc2n1[C@H](C(=O)NC(C)(C)C)C1CC1 ZINC000095600468 185382449 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/nfs/dbraw/zinc/39/23/51/185392351.db2.gz GPFOQDAZAVIYMI-IUODEOHRSA-N 0 0 306.192 3.991 1 0 DHAFRN Cc1ccc2cc3c(NC(=O)C4CCCC4)nn(C)c3nc2c1 ZINC000169340219 197743746 /nfs/dbraw/zinc/74/37/46/197743746.db2.gz FYSMBWHLFRCIIU-UHFFFAOYSA-N 0 0 308.385 3.559 3 0 DHAFRN COc1ccc(-c2cc(F)cc3c(C)c4n(c32)CCNC4=O)cc1 ZINC000169353889 197745656 /nfs/dbraw/zinc/74/56/56/197745656.db2.gz CTWVBVPDRHCUSJ-UHFFFAOYSA-N 0 0 324.355 3.508 1 0 DHAFRN COc1cc(/C=C/c2cc(=O)c3ccccc3o2)cc(OC)c1 ZINC000103176359 185436745 /nfs/dbraw/zinc/43/67/45/185436745.db2.gz BMDYRDQXCGCDNQ-BQYQJAHWSA-N 0 0 308.333 3.981 1 0 DHAFRN CCCCCC[C@@H](O)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000103271907 185443123 /nfs/dbraw/zinc/44/31/23/185443123.db2.gz HQUIQLAQIKGHII-QZTJIDSGSA-N 0 0 303.446 3.757 1 0 DHAFRN Cn1cccc1C(=O)[C@@H](SN1CCCC1)c1ccccc1 ZINC000071316742 190956281 /nfs/dbraw/zinc/95/62/81/190956281.db2.gz SLEHHRFMULXKSA-KRWDZBQOSA-N 0 0 300.427 3.693 1 0 DHAFRN CCCCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 ZINC000071319421 190957713 /nfs/dbraw/zinc/95/77/13/190957713.db2.gz MYZNIBUGRPRVJA-UHFFFAOYSA-N 0 0 319.430 3.694 1 0 DHAFRN Cc1c2c(c(C)n1-c1ccc(C)cc1)[C@](C)(C(N)=O)CC2(C)C ZINC000138397033 186016386 /nfs/dbraw/zinc/01/63/86/186016386.db2.gz KSHNTAVMTXBGRE-HXUWFJFHSA-N 0 0 310.441 3.827 1 0 DHAFRN O=C(Cc1ccccc1)[C@H]1Cc2c(ccc3ccccc32)OC1=O ZINC000072172227 191070157 /nfs/dbraw/zinc/07/01/57/191070157.db2.gz ZCWYJDOMUJVZNB-GOSISDBHSA-N 0 0 316.356 3.729 1 0 DHAFRN CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)[C@H]2C[C@H]2C1=O ZINC000072176964 191070418 /nfs/dbraw/zinc/07/04/18/191070418.db2.gz MRXHMXOEMGFVQX-WCVJEAGWSA-N 0 0 310.434 3.663 1 0 DHAFRN Cc1cc2c(c3c1C(C)(C)CCC3)C(=O)O[C@@]21C[C@H](C)CO1 ZINC000013411143 290925618 /nfs/dbraw/zinc/92/56/18/290925618.db2.gz ZOIFYOGQGNHQEI-WLRWDXFRSA-N 0 0 300.398 3.989 1 0 biogenic,in-vitro DHAFRN CCCc1nn(C(=O)c2ccccc2)c2c1C(=O)CC(C)(C)C2 ZINC000000287516 180748451 /nfs/dbraw/zinc/74/84/51/180748451.db2.gz RMYXFRCJEAPNDU-UHFFFAOYSA-N 0 0 310.397 3.679 3 0 DHAFRN COc1ccc2nc3sc(C(=O)NC(C)C)cc3cc2c1 ZINC000000428364 180787418 /nfs/dbraw/zinc/78/74/18/180787418.db2.gz QLDGLIPNGMUAGB-UHFFFAOYSA-N 0 0 300.383 3.596 1 0 DHAFRN CC(=O)c1cccc2c1C[C@@]1(C2)Cc2ccc3c(c2C1=O)CCC3 ZINC000001646105 180883349 /nfs/dbraw/zinc/88/33/49/180883349.db2.gz TXDJWBFUEXVKEI-JOCHJYFZSA-N 0 0 316.400 3.902 1 0 DHAFRN Cc1cc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)no1 ZINC000073160584 191287016 /nfs/dbraw/zinc/28/70/16/191287016.db2.gz ZLHUNHBWMNSZID-ZDUSSCGKSA-N 0 0 312.753 3.554 1 0 DHAFRN CCCSc1nc(N)c(N(CCC)CCC)c(OCC)n1 ZINC000073167071 191288477 /nfs/dbraw/zinc/28/84/77/191288477.db2.gz XJVPPZCTSDRNDT-UHFFFAOYSA-N 0 0 312.483 3.586 1 0 DHAFRN CC1(C)CCC[C@]2(C)[C@H]3CC[C@@]4(O)C(=O)OC[C@H]4[C@]3(C)CC[C@@H]12 ZINC000003594795 181037945 /nfs/dbraw/zinc/03/79/45/181037945.db2.gz QQIJRGIKSPJNAQ-XGVHXEIDSA-N 0 0 320.473 3.933 1 0 DHAFRN C[C@H]1[C@@H]2NC(=O)N(Cc3ccccc3)[C@@]1(C)Oc1ccccc12 ZINC000003906877 181055610 /nfs/dbraw/zinc/05/56/10/181055610.db2.gz UKWYPMLVLZPMCI-IXDGSTSKSA-N 0 0 308.381 3.698 1 0 DHAFRN c1ccc(-c2cc(-c3ccnc(-c4ccncc4)n3)cnn2)cc1 ZINC000003939431 181057947 /nfs/dbraw/zinc/05/79/47/181057947.db2.gz LWWWGLNBPILIGM-UHFFFAOYSA-N 0 0 311.348 3.663 1 0 DHAFRN CC[C@@]1(c2cccs2)Oc2cccnc2-n2cccc2C1=O ZINC000003941839 181058092 /nfs/dbraw/zinc/05/80/92/181058092.db2.gz TXUABTMIUKWMLO-KRWDZBQOSA-N 0 0 310.378 3.814 1 0 DHAFRN O=C(c1c(F)cccc1F)N(Cc1ccccn1)C1CCCC1 ZINC000004092303 181072184 /nfs/dbraw/zinc/07/21/84/181072184.db2.gz FFKJBIDJCSZZAW-UHFFFAOYSA-N 0 0 316.351 3.945 3 0 DHAFRN CN(C)c1ccc(-c2nccc(NCc3cccs3)n2)cc1 ZINC000004258457 181088776 /nfs/dbraw/zinc/08/87/76/181088776.db2.gz MIQLOUNCEHLUCT-UHFFFAOYSA-N 0 0 310.426 3.883 1 0 DHAFRN CC(C)(C)c1ccc(NCN2c3ccccc3C(=O)C2=O)cc1 ZINC000004361886 181102535 /nfs/dbraw/zinc/10/25/35/181102535.db2.gz CUJLSJKIJGUGKA-UHFFFAOYSA-N 0 0 308.381 3.583 1 0 DHAFRN CC1(C)SC(c2cc(Cl)ccc2N)=NN1C(=O)C1CCC1 ZINC000073276176 191299759 /nfs/dbraw/zinc/29/97/59/191299759.db2.gz TZTAHVCRFCDQIC-UHFFFAOYSA-N 0 0 323.849 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3.807 1 0 DHAFRN C/C=C/CO[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(F)cc21 ZINC000005833204 181287781 /nfs/dbraw/zinc/28/77/81/181287781.db2.gz FCNQTWYQUVGJRK-QAVQXKDTSA-N 0 0 305.227 3.696 1 0 DHAFRN Cc1cc(C)cc(Cc2c3c([nH]c(=O)c2N(C)C)CCCC3)c1 ZINC000005892029 181293900 /nfs/dbraw/zinc/29/39/00/181293900.db2.gz CYYXTKIISNGPGF-UHFFFAOYSA-N 0 0 310.441 3.527 1 0 DHAFRN CN1N=C(c2ccncc2)O[C@H]1c1ccc(Cl)cc1Cl ZINC000006002750 181304752 /nfs/dbraw/zinc/30/47/52/181304752.db2.gz FLYVBNCFEUSJFX-AWEZNQCLSA-N 0 0 308.168 3.711 1 0 DHAFRN COc1ccccc1[C@@H](O)[C@@H]1C[C@@H]2[C@H]3CC[C@@](C)([C@@H]2O1)C3(C)C ZINC000006019406 181306127 /nfs/dbraw/zinc/30/61/27/181306127.db2.gz MKHMRHOSPUSUGL-VAGBSCRKSA-N 0 0 316.441 3.958 1 0 DHAFRN COc1ccc([C@@H](Cc2ccc(Cl)cc2)n2cncn2)cc1 ZINC000006484429 181344259 /nfs/dbraw/zinc/34/42/59/181344259.db2.gz HCMBSWSMLQBXJQ-QGZVFWFLSA-N 0 0 313.788 3.772 1 0 DHAFRN COc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)O[C@@]3(C)CC[C@H]21 ZINC000006482740 181344289 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321.804 3.673 1 0 DHAFRN CN1N=C(c2ccccc2)[C@@H](n2ccnc2)[C@H]1c1ccccc1 ZINC000040401723 183061652 /nfs/dbraw/zinc/06/16/52/183061652.db2.gz RAOQQFYHRWZQPW-RTBURBONSA-N 0 0 302.381 3.515 1 0 DHAFRN COc1ccc(C2=C(c3ccoc3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000040413522 183062966 /nfs/dbraw/zinc/06/29/66/183062966.db2.gz YKRDRDQFQXMLGC-HNNXBMFYSA-N 0 0 309.365 3.594 1 0 DHAFRN Cc1ccc2c(c1C)CN(C(=O)N(C)C)C[C@H]2c1ccc(O)cc1 ZINC000040763474 183130471 /nfs/dbraw/zinc/13/04/71/183130471.db2.gz XPBTYUBGYLAICK-IBGZPJMESA-N 0 0 324.424 3.638 1 0 DHAFRN O=C1c2cccc(F)c2N(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000040880048 183146475 /nfs/dbraw/zinc/14/64/75/183146475.db2.gz KXXRXMVVPVEVCB-UHFFFAOYSA-N 0 0 323.245 3.574 1 0 DHAFRN COc1ccc([C@@H](O)c2ccc(N(C)C)c3ccccc32)cc1 ZINC000040954289 183151013 /nfs/dbraw/zinc/15/10/13/183151013.db2.gz ZKJVGDMJDKFTFL-HXUWFJFHSA-N 0 0 307.393 3.996 1 0 DHAFRN CCCCCCC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000040956745 183151262 /nfs/dbraw/zinc/15/12/62/183151262.db2.gz 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184197885 /nfs/dbraw/zinc/19/78/85/184197885.db2.gz ZSPNJTBDKSBROV-UHFFFAOYSA-N 0 0 305.255 3.875 3 0 DHAFRN O[C@@H](c1nc(-c2ccncc2)cs1)c1ccc(F)c(F)c1 ZINC000061895914 184193038 /nfs/dbraw/zinc/19/30/38/184193038.db2.gz ILBJJIGCGNSWJM-CQSZACIVSA-N 0 0 304.321 3.565 3 0 DHAFRN C[C@H](Nc1nc2cc[nH]c(=O)c2cc1-c1ccccn1)C(C)(C)C ZINC000064549970 184299624 /nfs/dbraw/zinc/29/96/24/184299624.db2.gz CTIOFGTUACTKHE-LBPRGKRZSA-N 0 0 322.412 3.832 1 0 DHAFRN Nc1nc(Cc2ccc3ccccc3c2)n(-c2ccccc2)n1 ZINC000064691502 184302521 /nfs/dbraw/zinc/30/25/21/184302521.db2.gz FXOHTCUFMQJDRC-UHFFFAOYSA-N 0 0 300.365 3.594 1 0 DHAFRN Clc1ccccc1Cn1cc(-c2ccc3n[nH]cc3c2)nn1 ZINC000066077190 184386760 /nfs/dbraw/zinc/38/67/60/184386760.db2.gz ONQWJQFYUGAKLG-UHFFFAOYSA-N 0 0 309.760 3.523 1 0 DHAFRN COc1cc2c(c(OC)c1)C(=O)O[C@H](C)CCC/C=C\CC2 ZINC000066098982 184389328 /nfs/dbraw/zinc/38/93/28/184389328.db2.gz CSTJKZDRULMTKA-RYWCDNDXSA-N 0 0 304.386 3.922 1 0 DHAFRN 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/nfs/dbraw/zinc/01/33/76/183013376.db2.gz UBCXCRQXPSAIBV-UHFFFAOYSA-N 0 0 304.685 3.650 1 0 in-vitro DHAFRN CSc1nc2cc(C(=O)N3CCCCC3)c(Cl)cc2[nH]1 ZINC000040423700 183065413 /nfs/dbraw/zinc/06/54/13/183065413.db2.gz XPCPNPGQXGWXPJ-UHFFFAOYSA-N 0 0 309.822 3.564 1 0 DHAFRN CSN1C(=O)[C@H](Oc2ccccc2)[C@@H]1CCc1ccccc1 ZINC000040428760 183065458 /nfs/dbraw/zinc/06/54/58/183065458.db2.gz AJWAWTOUCCHAIW-DLBZAZTESA-N 0 0 313.422 3.556 1 0 DHAFRN Clc1cccc(-c2nnnn2Cc2ccccc2)c1Cl ZINC000040564810 183103126 /nfs/dbraw/zinc/10/31/26/183103126.db2.gz LLHYVOKTJUIONG-UHFFFAOYSA-N 0 0 305.168 3.695 1 0 DHAFRN COc1cc(-c2nc3cc(F)ccc3o2)cc(OC)c1OC ZINC000040835240 183140335 /nfs/dbraw/zinc/14/03/35/183140335.db2.gz VNYZXQHLVCVAPZ-UHFFFAOYSA-N 0 0 303.289 3.660 1 0 DHAFRN CCCOc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1 ZINC000040860724 183143607 /nfs/dbraw/zinc/14/36/07/183143607.db2.gz MUWSRCCTAYPEEZ-UHFFFAOYSA-N 0 0 321.380 3.887 1 0 DHAFRN O=C(OCc1ccccc1)N1CCCC(=O)[C@@H]1Cc1ccccc1 ZINC000040763036 183130160 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184193962 /nfs/dbraw/zinc/19/39/62/184193962.db2.gz WMJMKQUQNODCMX-UHFFFAOYSA-N 0 0 320.396 3.967 3 0 DHAFRN CC(=O)N[C@@](C)(c1nc(-c2ccncc2)cs1)c1ccccc1 ZINC000061925567 184195872 /nfs/dbraw/zinc/19/58/72/184195872.db2.gz KWXMDKGIOSBBTG-GOSISDBHSA-N 0 0 323.421 3.605 3 0 DHAFRN Oc1ccc(-c2nnc(SCc3ccc(Cl)nc3)o2)cc1 ZINC000064448757 184297808 /nfs/dbraw/zinc/29/78/08/184297808.db2.gz CDNLAMBHZVBELA-UHFFFAOYSA-N 0 0 319.773 3.783 1 0 DHAFRN Cc1ccc2c(c1)oc(=O)c1c2C[C@H]2c3ccccc3CCN2C1 ZINC000064503828 184298844 /nfs/dbraw/zinc/29/88/44/184298844.db2.gz HVBFQTONDQZNQW-IBGZPJMESA-N 0 0 317.388 3.757 1 0 DHAFRN CCOC(=O)c1cc2ccc(-c3ccc(OC)cc3)cc2oc1=O ZINC000066104809 184389782 /nfs/dbraw/zinc/38/97/82/184389782.db2.gz FBOIEQIHOVLBEX-UHFFFAOYSA-N 0 0 324.332 3.645 1 0 DHAFRN O=c1c2cc(Br)ccc2sn1-c1ccccc1 ZINC000066129017 184391515 /nfs/dbraw/zinc/39/15/15/184391515.db2.gz XTVWLTBJRNEJDC-UHFFFAOYSA-N 0 0 306.184 3.815 1 0 DHAFRN CCc1ccc(O[P@](=O)([O-])[C@@H]([NH3+])CCc2ccccc2)cc1 ZINC000049068666 517849962 /nfs/dbraw/zinc/84/99/62/517849962.db2.gz OAQMPPJLCQYHBF-QGZVFWFLSA-N 0 0 319.341 3.731 1 0 DHAFRN Nc1nc(N)c2c(cccc2Sc2ccc(Cl)cc2)n1 ZINC000000172636 560177539 /nfs/dbraw/zinc/17/75/39/560177539.db2.gz AVRPDIOCAAWICH-UHFFFAOYSA-N 0 0 302.790 3.599 1 0 in-vitro DHAFRN Cc1cc2c(c(C)c1O)O[C@H](c1cc3c(cc1O)OCO3)CC2 ZINC000014727417 560225125 /nfs/dbraw/zinc/22/51/25/560225125.db2.gz BXJVXSUYCLJDOQ-AWEZNQCLSA-N 0 0 314.337 3.510 1 0 biogenic,in-vitro DHAFRN CCCCC[C@@H](O)CC(=O)CCc1ccc(OC)c(OC)c1 ZINC000015257097 571737756 /nfs/dbraw/zinc/73/77/56/571737756.db2.gz CTGAPJBPSCUFRO-OAHLLOKOSA-N 0 0 308.418 3.537 1 0 endogenous,in-man DHAFRN CC1=C(CC[C@](C)(O)[C@H](O)CO)[C@]2(C)CCCC(C)(C)[C@H]2CC1 ZINC000085994612 574416905 /nfs/dbraw/zinc/41/69/05/574416905.db2.gz TWZQRBKMQYAKGQ-JYBIWHBTSA-N 0 0 324.505 3.814 1 0 endogenous,in-man DHAFRN