smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(-c2c3ncccc3oc2-c2ccncc2)cc1 ZINC000000023732 581098380 /nfs/dbraw/zinc/09/83/80/581098380.db2.gz CCUIQKDQTOJLHD-UHFFFAOYSA-N 0 0 290.297 4.696 1 0 CJAFRN Cc1nnc([C@@H]2CC=C(C)C[C@H]2c2ccc(Cl)cc2)o1 ZINC000000209426 169575584 /nfs/dbraw/zinc/57/55/84/169575584.db2.gz YWMNEGVRHHKARE-CABCVRRESA-N 0 0 288.778 4.639 1 0 CJAFRN Cc1cn2cc(-c3ccc4ccccc4c3)nc2s1 ZINC000000218491 169578973 /nfs/dbraw/zinc/57/89/73/169578973.db2.gz STHJLDQQMVALNT-UHFFFAOYSA-N 0 0 264.353 4.524 1 0 CJAFRN c1nc(Nc2ccc3cnccc3c2)oc1-c1ccccc1 ZINC000001492373 169709335 /nfs/dbraw/zinc/70/93/35/169709335.db2.gz WJLFJTMIIKHLCP-UHFFFAOYSA-N 0 0 287.322 4.633 1 0 CJAFRN CCCCc1nc2ccsc2c(Nc2ccccc2)n1 ZINC000001546392 169712891 /nfs/dbraw/zinc/71/28/91/169712891.db2.gz UQWQNHQJMREMFN-UHFFFAOYSA-N 0 0 283.400 4.778 1 0 CJAFRN c1ccc(N([C@H]2C=CCCC2)[C@H]2C=CCCC2)cc1 ZINC000001616661 169726013 /nfs/dbraw/zinc/72/60/13/169726013.db2.gz OLUMBIYSBOFFQV-ROUUACIJSA-N 0 0 253.389 4.710 1 0 CJAFRN Cc1cc2c(cc1O)[nH]c1cc3c(cc12)C=CC(C)(C)O3 ZINC000001634345 169730049 /nfs/dbraw/zinc/73/00/49/169730049.db2.gz RUQHCCGMEXXSBD-UHFFFAOYSA-N 0 0 279.339 4.519 1 0 CJAFRN CC(C)=CCC[C@@](C)(OC(C)=O)[C@@H]1CC=C(C)CC1 ZINC000003171699 560188536 /nfs/dbraw/zinc/18/85/36/560188536.db2.gz RQYNNIWGGJJGDH-IAGOWNOFSA-N 0 0 264.409 4.801 1 0 in-vitro CJAFRN CC(C)=CCC[C@@](C)(OC(C)=O)[C@H]1CC=C(C)CC1 ZINC000003171701 169864474 /nfs/dbraw/zinc/86/44/74/169864474.db2.gz RQYNNIWGGJJGDH-DLBZAZTESA-N 0 0 264.409 4.801 1 0 in-vitro CJAFRN CC(C)=CCC[C@](C)(OC(C)=O)[C@@H]1CC=C(C)CC1 ZINC000003171702 169864385 /nfs/dbraw/zinc/86/43/85/169864385.db2.gz RQYNNIWGGJJGDH-SJORKVTESA-N 0 0 264.409 4.801 1 0 in-vitro CJAFRN CC(C)=CCC[C@](C)(OC(C)=O)[C@H]1CC=C(C)CC1 ZINC000003171704 560188555 /nfs/dbraw/zinc/18/85/55/560188555.db2.gz RQYNNIWGGJJGDH-IRXDYDNUSA-N 0 0 264.409 4.801 1 0 in-vitro CJAFRN C/C(c1ccc(C)cc1)=C1\CCCc2c(C)ccnc21 ZINC000003827274 169914030 /nfs/dbraw/zinc/91/40/30/169914030.db2.gz REEZUWPQDXCHBP-SDXDJHTJSA-N 0 0 263.384 4.965 1 0 CJAFRN c1c(-c2ccccc2)[nH]c(-c2cccnc2)c1-c1ccncc1 ZINC000003832128 169914461 /nfs/dbraw/zinc/91/44/61/169914461.db2.gz OJSMHYYZJVCGEW-UHFFFAOYSA-N 0 0 297.361 4.806 1 0 CJAFRN Clc1cccc(Nc2ccc3ccccc3n2)c1 ZINC000005395245 170094341 /nfs/dbraw/zinc/09/43/41/170094341.db2.gz GZZIQODYCGYJNW-UHFFFAOYSA-N 0 0 254.720 4.632 1 0 CJAFRN CCCC[C@@H]1N=CNc2c3[nH]c4ccccc4c3ccc21 ZINC000005499252 170104792 /nfs/dbraw/zinc/10/47/92/170104792.db2.gz DYPCXFPTTAYIOF-HNNXBMFYSA-N 0 0 277.371 4.815 1 0 CJAFRN CC[C@@]1(CC=C(C)C)Oc2ccccc2-n2cccc2C1=O ZINC000005499971 170104938 /nfs/dbraw/zinc/10/49/38/170104938.db2.gz HSGMMPYUQOQQOA-IBGZPJMESA-N 0 0 295.382 4.558 1 0 CJAFRN CC1(C)CCCCCCCCC[C@@](C)(CCCO)C1=O ZINC000005538592 170110502 /nfs/dbraw/zinc/11/05/02/170110502.db2.gz JNIUOAYARRBAAN-SFHVURJKSA-N 0 0 282.468 4.885 1 0 CJAFRN CSC1=Nc2ccccc2-c2nc3ccccc3cc2C1 ZINC000005542404 170110997 /nfs/dbraw/zinc/11/09/97/170110997.db2.gz OGFJXQMWIHXIGR-UHFFFAOYSA-N 0 0 290.391 4.851 1 0 CJAFRN O=C1C[C@H](Nc2ccccc2)c2c(Cl)sc(Cl)c21 ZINC000005582843 170116317 /nfs/dbraw/zinc/11/63/17/170116317.db2.gz ZPAAZSXHNMXTIS-QMMMGPOBSA-N 0 0 298.194 4.795 1 0 CJAFRN CCCC[C@@H]1Cc2ccccc2-c2nc3ccccc3n21 ZINC000005596656 170117681 /nfs/dbraw/zinc/11/76/81/170117681.db2.gz NAWHTNIQMXZZIH-OAHLLOKOSA-N 0 0 276.383 4.991 1 0 CJAFRN Cc1cc2c(cc1Br)[C@@]1(C)CC[C@H](C)[C@]1(C)O2 ZINC000005639627 170122981 /nfs/dbraw/zinc/12/29/81/170122981.db2.gz AZMIIVUEOLBHBL-VQISRLSMSA-N 0 0 295.220 4.596 1 0 CJAFRN Cc1cc2c(cc1Br)[C@@]1(C)CC[C@@H](C)[C@]1(C)O2 ZINC000005639628 170123035 /nfs/dbraw/zinc/12/30/35/170123035.db2.gz AZMIIVUEOLBHBL-KMUNFCNLSA-N 0 0 295.220 4.596 1 0 CJAFRN CC(C)c1ccc2c(c1)C=C1OC(=O)[C@]3(C)CCC[C@@]2(C)[C@@H]13 ZINC000005733746 170135378 /nfs/dbraw/zinc/13/53/78/170135378.db2.gz XZQMGTSVFBJVSX-MISYRCLQSA-N 0 0 296.410 4.785 1 0 CJAFRN CC(C)c1ccc2c(c1)C=C1OC(=O)[C@]3(C)CCC[C@@]2(C)[C@H]13 ZINC000005733749 170135230 /nfs/dbraw/zinc/13/52/30/170135230.db2.gz XZQMGTSVFBJVSX-DFQSSKMNSA-N 0 0 296.410 4.785 1 0 CJAFRN CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000005733756 170135308 /nfs/dbraw/zinc/13/53/08/170135308.db2.gz WTHUMSLQUHCWCH-CMKODMSKSA-N 0 0 286.459 4.811 1 0 biogenic,in-vitro CJAFRN CC(C)c1ccc2c(c1)CC[C@@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000005733760 170135359 /nfs/dbraw/zinc/13/53/59/170135359.db2.gz WTHUMSLQUHCWCH-WSTZPKSXSA-N 0 0 286.459 4.811 1 0 CJAFRN CCCCNC(=S)OCC[C@@H](C)CCCC(C)C ZINC000005782092 170139824 /nfs/dbraw/zinc/13/98/24/170139824.db2.gz YYRAFGLCWHOADA-AWEZNQCLSA-N 0 0 273.486 4.530 1 0 CJAFRN C[C@@]12C=C[C@]3(C1)CC[C@@H]1C(C)(C)[C@@H](O)CC[C@@]1(C)[C@@H]3CC2 ZINC000005791415 170140235 /nfs/dbraw/zinc/14/02/35/170140235.db2.gz XGDSLUTYSLVPEK-PCMNTEJDSA-N 0 0 288.475 4.946 1 0 CJAFRN Cc1ccc(C(=O)n2c3ccccc3c3c2CCCC3)cc1 ZINC000005855491 170147368 /nfs/dbraw/zinc/14/73/68/170147368.db2.gz QHGAJMLTDKKDJO-UHFFFAOYSA-N 0 0 289.378 4.517 1 0 CJAFRN O=NN1[C@@H](c2ccccc2)CCC[C@@H]1c1ccccc1 ZINC000005882862 170149922 /nfs/dbraw/zinc/14/99/22/170149922.db2.gz MORPGHSBVNIXMM-IAGOWNOFSA-N 0 0 266.344 4.636 1 0 CJAFRN O=NN1[C@H](c2ccccc2)CCC[C@H]1c1ccccc1 ZINC000005882863 170150105 /nfs/dbraw/zinc/15/01/05/170150105.db2.gz MORPGHSBVNIXMM-IRXDYDNUSA-N 0 0 266.344 4.636 1 0 CJAFRN Cc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1 ZINC000005931491 170157196 /nfs/dbraw/zinc/15/71/96/170157196.db2.gz OJTSQWGMSXHCRU-UHFFFAOYSA-N 0 0 275.307 4.662 1 0 CJAFRN CC[C@@]1(C)CC[C@H]2c3ccc(O)cc3CC[C@H]2[C@H]1C ZINC000005955609 170162271 /nfs/dbraw/zinc/16/22/71/170162271.db2.gz UGIZFEGQSXWSAF-XGWTYTTDSA-N 0 0 258.405 4.884 1 0 CJAFRN CCCCCCOc1ccc2c(c1)[nH]c1c2ccnc1C ZINC000005973064 170164560 /nfs/dbraw/zinc/16/45/60/170164560.db2.gz WEBAZRPFMUVCHP-UHFFFAOYSA-N 0 0 282.387 4.984 1 0 CJAFRN CCOC(=O)[C@]12CC(C)=C(C)C[C@H]1CCCc1ccccc12 ZINC000006040985 170170687 /nfs/dbraw/zinc/17/06/87/170170687.db2.gz ZXQVMOSXILCBRL-YLJYHZDGSA-N 0 0 298.426 4.570 1 0 CJAFRN CC[C@]1(CC=C(C)C)Oc2ccccc2-n2cccc2C1=O ZINC000006371542 170195548 /nfs/dbraw/zinc/19/55/48/170195548.db2.gz HSGMMPYUQOQQOA-LJQANCHMSA-N 0 0 295.382 4.558 1 0 CJAFRN CC[C@@]1(C)CC[C@@H]2c3ccc(O)cc3CC[C@H]2[C@@H]1C ZINC000006371544 170195466 /nfs/dbraw/zinc/19/54/66/170195466.db2.gz UGIZFEGQSXWSAF-FRJURHEUSA-N 0 0 258.405 4.884 1 0 CJAFRN CC[C@@]1(C)CC[C@@H]2c3ccc(O)cc3CC[C@H]2[C@H]1C ZINC000006371545 170195378 /nfs/dbraw/zinc/19/53/78/170195378.db2.gz UGIZFEGQSXWSAF-VFAJRCTISA-N 0 0 258.405 4.884 1 0 CJAFRN CC[C@@]1(C)CC[C@H]2c3ccc(O)cc3CC[C@H]2[C@@H]1C ZINC000006371546 170195569 /nfs/dbraw/zinc/19/55/69/170195569.db2.gz UGIZFEGQSXWSAF-HZCDGDGTSA-N 0 0 258.405 4.884 1 0 CJAFRN CCC[C@@]1(C(C)(C)C)OC(=O)Nc2ccc(Cl)cc21 ZINC000006381144 170196658 /nfs/dbraw/zinc/19/66/58/170196658.db2.gz ZOVNAEJOZMNXDU-OAHLLOKOSA-N 0 0 281.783 4.944 1 0 CJAFRN CCOC(=O)c1sc(SC)cc1-c1ccc(C)cc1 ZINC000006403630 170198812 /nfs/dbraw/zinc/19/88/12/170198812.db2.gz VTJWZAPTFBDCLV-UHFFFAOYSA-N 0 0 292.425 4.622 1 0 CJAFRN Cc1ccc([C@H]2CC(c3ccco3)=NN2c2ccccc2)o1 ZINC000006488292 170205337 /nfs/dbraw/zinc/20/53/37/170205337.db2.gz AHLDCNGCJRJYNI-MRXNPFEDSA-N 0 0 292.338 4.537 1 0 CJAFRN CC(C)=CCc1cc2c(cc1O)[nH]c1ccc(C)cc12 ZINC000006522996 170209343 /nfs/dbraw/zinc/20/93/43/170209343.db2.gz BBPNJGRZPSCZBB-UHFFFAOYSA-N 0 0 265.356 4.844 1 0 in-vitro CJAFRN Cc1cccc(C)c1NC(=O)Nc1cc2sccc2n1C ZINC000006806704 170245253 /nfs/dbraw/zinc/24/52/53/170245253.db2.gz SCYMCMKZNRNVIJ-UHFFFAOYSA-N 0 0 299.399 4.501 1 0 CJAFRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccccc3)s2)C1 ZINC000006808216 170245381 /nfs/dbraw/zinc/24/53/81/170245381.db2.gz NXFPZZGAVTZIFC-OKILXGFUSA-N 0 0 299.439 4.533 1 0 CJAFRN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccccc3)s2)C1 ZINC000006808217 170245359 /nfs/dbraw/zinc/24/53/59/170245359.db2.gz NXFPZZGAVTZIFC-KBPBESRZSA-N 0 0 299.439 4.533 1 0 CJAFRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccccc3)s2)C1 ZINC000006808218 170245313 /nfs/dbraw/zinc/24/53/13/170245313.db2.gz NXFPZZGAVTZIFC-ZIAGYGMSSA-N 0 0 299.439 4.533 1 0 CJAFRN O=C(Nc1ccccc1F)c1ccc(-c2ccccc2)s1 ZINC000006808235 170245773 /nfs/dbraw/zinc/24/57/73/170245773.db2.gz KEDQXACPBICSDW-UHFFFAOYSA-N 0 0 297.354 4.807 1 0 CJAFRN Cc1ccc(-c2csc3nc4ccccc4n23)cc1 ZINC000006996643 170260710 /nfs/dbraw/zinc/26/07/10/170260710.db2.gz JPOKDIRZAQTWFC-UHFFFAOYSA-N 0 0 264.353 4.524 1 0 CJAFRN O=C(Nc1ccccc1)c1ccccc1-c1ccccc1 ZINC000007609355 170293540 /nfs/dbraw/zinc/29/35/40/170293540.db2.gz JVRMUFJCFLXSMJ-UHFFFAOYSA-N 0 0 273.335 4.606 1 0 CJAFRN CC(C)(C)c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1 ZINC000008536321 170339306 /nfs/dbraw/zinc/33/93/06/170339306.db2.gz RKTINGRJURYERF-UHFFFAOYSA-N 0 0 295.361 4.575 1 0 CJAFRN CCCCOc1ccc([C@H]2CC[C@@H](C(C)=O)[C@@H](C)C2)cc1 ZINC000013152320 520898587 /nfs/dbraw/zinc/89/85/87/520898587.db2.gz MZUGNHBVTRMXGW-UCLAIMLFSA-N 0 0 288.431 4.974 1 0 CJAFRN CCCCOc1ccc([C@H]2CC[C@H](C(C)=O)[C@@H](C)C2)cc1 ZINC000013152321 170537362 /nfs/dbraw/zinc/53/73/62/170537362.db2.gz MZUGNHBVTRMXGW-FNHZYXHNSA-N 0 0 288.431 4.974 1 0 CJAFRN CC(C)c1ccc2c(c1)C[C@H](O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000013302884 290878252 /nfs/dbraw/zinc/87/82/52/290878252.db2.gz DIUCEMXUUJQONQ-NLWGTHIKSA-N 0 0 286.459 4.811 1 0 biogenic,in-vitro CJAFRN CC(C)=CCc1cc(C(C)=O)cc2c1OC(C)(C)C=C2 ZINC000013306245 290878247 /nfs/dbraw/zinc/87/82/47/290878247.db2.gz WFXJDXJXOHZQRD-UHFFFAOYSA-N 0 0 270.372 4.582 1 0 biogenic,in-vitro CJAFRN C/C=C/c1ccc2c(c1)[C@H](C)[C@@H](c1ccc(O)c(OC)c1)O2 ZINC000013340033 560105207 /nfs/dbraw/zinc/10/52/07/560105207.db2.gz FCFVMNGCSPIORZ-NSWCWGQASA-N 0 0 296.366 4.671 1 0 endogenous,in-man CJAFRN C/C=C/c1ccc2c(c1)[C@@H](C)[C@H](c1ccc3c(c1)OCO3)O2 ZINC000013340037 560214598 /nfs/dbraw/zinc/21/45/98/560214598.db2.gz VWIMGMRQHOVREC-BUDBUPGKSA-N 0 0 294.350 4.686 1 0 biogenic,in-vitro CJAFRN C=Cc1c(C)c(O)cc2c1CC[C@H]1C(C)(C)C(=O)CC[C@@]21C ZINC000013399854 290877795 /nfs/dbraw/zinc/87/77/95/290877795.db2.gz MWEHWEZBGQUQSJ-PXNSSMCTSA-N 0 0 298.426 4.553 1 0 biogenic,in-vitro CJAFRN CCc1c(CO)ccc2c1CC[C@H]1C(C)(C)CCC[C@@]21C ZINC000013399990 560216438 /nfs/dbraw/zinc/21/64/38/560216438.db2.gz PUZFEMFUMHPTLQ-ICSRJNTNSA-N 0 0 286.459 4.772 1 0 biogenic,in-vitro CJAFRN C/C=C/c1ccc2c(c1)[C@@H](C)[C@@H](c1ccc(O)cc1)O2 ZINC000013407134 560216369 /nfs/dbraw/zinc/21/63/69/560216369.db2.gz GXJSAHXNLJFDPO-XDVCXAALSA-N 0 0 266.340 4.663 1 0 biogenic,in-vitro CJAFRN Clc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 ZINC000013440055 170550174 /nfs/dbraw/zinc/55/01/74/170550174.db2.gz SNWOLZVECRQTRZ-UHFFFAOYSA-N 0 0 294.785 4.886 1 0 CJAFRN Cc1sc(C)c2c1CCCc1cnn(-c3ccccc3)c1-2 ZINC000013537782 170559849 /nfs/dbraw/zinc/55/98/49/170559849.db2.gz DEBJKZVBXLWEAQ-UHFFFAOYSA-N 0 0 294.423 4.706 1 0 CJAFRN Oc1ccc(-c2nc3cc(O)cc(C4CCCC4)c3o2)cc1 ZINC000013583731 581101519 /nfs/dbraw/zinc/10/15/19/581101519.db2.gz YJKSCPIMITUICH-UHFFFAOYSA-N 0 0 295.338 4.564 1 0 CJAFRN Cc1ccc2c(c1)[nH]c1c2ccnc1-c1ccccc1F ZINC000013587075 170566192 /nfs/dbraw/zinc/56/61/92/170566192.db2.gz LJWLHPRPPDBDOB-UHFFFAOYSA-N 0 0 276.314 4.831 1 0 CJAFRN C[C@@H]1c2cc(O)ccc2[C@@H]2C[C@H]1c1ccc(O)cc1[C@H]2C ZINC000013588098 170566588 /nfs/dbraw/zinc/56/65/88/170566588.db2.gz IJZGFDIDTPQLPS-LAARNHDHSA-N 0 0 280.367 4.590 1 0 CJAFRN Fc1ccc2c(c1)CC/C2=C\c1cccc2ncccc12 ZINC000013610855 170569436 /nfs/dbraw/zinc/56/94/36/170569436.db2.gz AZCFQZKBMHXEIT-SDNWHVSQSA-N 0 0 275.326 4.861 1 0 CJAFRN Fc1ccc2c(c1)CC/C2=C\c1ccnc2ccccc12 ZINC000013610861 170569530 /nfs/dbraw/zinc/56/95/30/170569530.db2.gz AUUSWOKRVZVKTK-ACCUITESSA-N 0 0 275.326 4.861 1 0 CJAFRN Cc1c2c(c(C)c(N)c1C)[C@H](c1ccc(F)cc1)C(C)(C)O2 ZINC000013652139 170574051 /nfs/dbraw/zinc/57/40/51/170574051.db2.gz KWPJLBROTXMAIF-INIZCTEOSA-N 0 0 299.389 4.636 1 0 CJAFRN CC(C)(C)C1CSC(c2ccc(F)cc2)SC1 ZINC000013742127 517372342 /nfs/dbraw/zinc/37/23/42/517372342.db2.gz MFJQBAHBCVIQEE-UHFFFAOYSA-N 0 0 270.438 4.967 1 0 in-vivo CJAFRN CC(C)Cc1nc2ccsc2c(NCc2ccccc2)n1 ZINC000013781377 170593572 /nfs/dbraw/zinc/59/35/72/170593572.db2.gz VIKCKGGIIODBFN-UHFFFAOYSA-N 0 0 297.427 4.502 1 0 CJAFRN Cc1ccc([C@H]2CC(=O)Oc3c(C(C)C)ccc(C)c32)cc1 ZINC000013814665 170597468 /nfs/dbraw/zinc/59/74/68/170597468.db2.gz SVAYGZJLKZPIAH-QGZVFWFLSA-N 0 0 294.394 4.868 1 0 CJAFRN CCc1cc(CCc2nc3ccccc3o2)c(=S)[nH]c1C ZINC000013826393 170600726 /nfs/dbraw/zinc/60/07/26/170600726.db2.gz VRKMJGDGFOBMKJ-UHFFFAOYSA-N 0 0 298.411 4.541 1 0 CJAFRN COc1ccc2nc(-c3ccc(Cl)cc3)sc2c1 ZINC000013831166 170601936 /nfs/dbraw/zinc/60/19/36/170601936.db2.gz IAOQAZIOISGMFF-UHFFFAOYSA-N 0 0 275.760 4.625 1 0 CJAFRN c1c2n(c(-c3ccccc3)c1-c1ccccc1)CCC2 ZINC000013835360 170603049 /nfs/dbraw/zinc/60/30/49/170603049.db2.gz AXOJZLBQPIRCQB-UHFFFAOYSA-N 0 0 259.352 4.768 1 0 CJAFRN CC(C)=CCC[C@H](C)CCSCC(=O)C(F)(F)F ZINC000013859390 170604763 /nfs/dbraw/zinc/60/47/63/170604763.db2.gz BPUJYSBIXUTRRS-NSHDSACASA-N 0 0 282.371 4.624 1 0 CJAFRN O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCCC2 ZINC000013860662 170605186 /nfs/dbraw/zinc/60/51/86/170605186.db2.gz KPIHZVGWIFJTAZ-UHFFFAOYSA-N 0 0 297.785 4.771 1 0 CJAFRN CCc1cc2c(ncnc2Sc2ccc(C)cc2)s1 ZINC000013862313 170605369 /nfs/dbraw/zinc/60/53/69/170605369.db2.gz GXTORMHOCIKRJE-UHFFFAOYSA-N 0 0 286.425 4.713 1 0 CJAFRN CC[C@@H]1Oc2c(C)c(O)ccc2-c2c(C)cc(O)c(C)c21 ZINC000013983368 581099310 /nfs/dbraw/zinc/09/93/10/581099310.db2.gz VIDLZOFQQMUWMT-HNNXBMFYSA-N 0 0 284.355 4.534 1 0 CJAFRN CC[C@H]1Oc2c(C)c(O)ccc2-c2c(C)cc(O)c(C)c21 ZINC000013983371 581099248 /nfs/dbraw/zinc/09/92/48/581099248.db2.gz VIDLZOFQQMUWMT-OAHLLOKOSA-N 0 0 284.355 4.534 1 0 CJAFRN CC(C)=CCc1cc2ccc(=O)oc2c(CC=C(C)C)c1O ZINC000014444509 290878249 /nfs/dbraw/zinc/87/82/49/290878249.db2.gz GSHLMLPFDNHBHO-UHFFFAOYSA-N 0 0 298.382 4.516 1 0 biogenic,in-vitro CJAFRN CC(=O)CCCCCCCCCCc1nc(C)ccc1O ZINC000014490919 560221940 /nfs/dbraw/zinc/22/19/40/560221940.db2.gz YLQYCJRZGMOQIA-UHFFFAOYSA-N 0 0 291.435 4.738 1 0 biogenic,in-vitro CJAFRN COc1cc(CCCCCCCC(C)=O)nc2ccccc21 ZINC000014614450 560223204 /nfs/dbraw/zinc/22/32/04/560223204.db2.gz HTCHZSPYYBTSKN-UHFFFAOYSA-N 0 0 299.414 4.716 1 0 biogenic,in-vitro CJAFRN CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C(CO)[C@@H](C1)CC[C@H]32 ZINC000014654149 290878253 /nfs/dbraw/zinc/87/82/53/290878253.db2.gz BYNLGAZDLCEGRX-YTYFBAJQSA-N 0 0 288.475 4.948 1 0 biogenic,in-vitro CJAFRN CCCCC/C=C\C/C=C/CCCC(=O)OCC ZINC000014722255 571722194 /nfs/dbraw/zinc/72/21/94/571722194.db2.gz UHRNCGFBWFZBLC-UONSLQGUSA-N 0 0 252.398 4.803 1 0 endogenous,in-man CJAFRN COc1c(C)c(O)c(C)c(-c2cc3ccccc3o2)c1C ZINC000015118156 170658054 /nfs/dbraw/zinc/65/80/54/170658054.db2.gz GNIVXBUUCHPMOA-UHFFFAOYSA-N 0 0 282.339 4.739 1 0 CJAFRN Cc1cc2c(cc1O)C=C1CCCC(C)(C)[C@H]1CC2 ZINC000015214592 290879425 /nfs/dbraw/zinc/87/94/25/290879425.db2.gz SUIVQXCYIUEJSJ-INIZCTEOSA-N 0 0 256.389 4.857 1 0 biogenic,in-vitro CJAFRN Cc1cc2c3cc(O)ccc3[nH]c2c2c1OC(C)(C)C=C2 ZINC000015257184 571737828 /nfs/dbraw/zinc/73/78/28/571737828.db2.gz VISKLVOLGCYFCW-UHFFFAOYSA-N 0 0 279.339 4.519 1 0 endogenous,in-man CJAFRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)NC1CCCCC1 ZINC000016608631 170705331 /nfs/dbraw/zinc/70/53/31/170705331.db2.gz PDDIETGPTXAEPC-BPUTZDHNSA-N 0 0 281.440 4.506 1 0 CJAFRN CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(cccc1F)C3=O ZINC000024611243 581092979 /nfs/dbraw/zinc/09/29/79/581092979.db2.gz DMEKIENJDRNRCK-UHFFFAOYSA-N 0 0 293.341 4.645 1 0 CJAFRN C[C@@]12C=Cc3occc3[C@H]1CC[C@@]13CC(=O)[C@@H](C1)CC[C@@H]32 ZINC000025756862 171465110 /nfs/dbraw/zinc/46/51/10/171465110.db2.gz ZUHATORLUREVSD-BBYRXKHUSA-N 0 0 282.383 4.566 1 0 CJAFRN CC(C)CCc1ccc(-c2cnc3ccccc3n2)s1 ZINC000026261010 171477205 /nfs/dbraw/zinc/47/72/05/171477205.db2.gz GYCPNPPTUYDXAY-UHFFFAOYSA-N 0 0 282.412 4.947 1 0 CJAFRN c1c(-c2ccccc2)[nH]c(-c2ccncc2)c1-c1ccncc1 ZINC000026637678 171494517 /nfs/dbraw/zinc/49/45/17/171494517.db2.gz JAFCYBMYWOYISM-UHFFFAOYSA-N 0 0 297.361 4.806 1 0 CJAFRN O=C(CCCCCCCc1ccccc1)C(F)(F)F ZINC000026641740 171494444 /nfs/dbraw/zinc/49/44/44/171494444.db2.gz BAGRIDDIIFOCBK-UHFFFAOYSA-N 0 0 272.310 4.701 1 0 in-vivo CJAFRN Cc1cc(C)cc(Nc2nccc(-c3ccsc3)n2)c1 ZINC000026644483 171494492 /nfs/dbraw/zinc/49/44/92/171494492.db2.gz IQSVVNQSBQDJHW-UHFFFAOYSA-N 0 0 281.384 4.566 1 0 CJAFRN Cc1ccc(-c2ccnc(Nc3cccc(C)c3)n2)s1 ZINC000026652150 171495072 /nfs/dbraw/zinc/49/50/72/171495072.db2.gz JNEHZXNBCDQYKO-UHFFFAOYSA-N 0 0 281.384 4.566 1 0 CJAFRN C[C@@H]1CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3 ZINC000026654042 581097848 /nfs/dbraw/zinc/09/78/48/581097848.db2.gz ZZUIZHCKMHXMMD-GFCCVEGCSA-N 0 0 263.384 4.956 1 0 CJAFRN C[C@H]1CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3 ZINC000026654046 171494931 /nfs/dbraw/zinc/49/49/31/171494931.db2.gz ZZUIZHCKMHXMMD-LBPRGKRZSA-N 0 0 263.384 4.956 1 0 CJAFRN Cc1cc(C)cc(Nc2nccc(-c3cccs3)n2)c1 ZINC000026656718 171494867 /nfs/dbraw/zinc/49/48/67/171494867.db2.gz KWNNDUFZAZZVGE-UHFFFAOYSA-N 0 0 281.384 4.566 1 0 CJAFRN CC[C@@H](C)CCc1cnc(Oc2ccccc2)c(C)n1 ZINC000026670110 171495272 /nfs/dbraw/zinc/49/52/72/171495272.db2.gz FQLZMVQXXQSUBD-CYBMUJFWSA-N 0 0 270.376 4.556 1 0 CJAFRN CCOc1cc(-c2ccccc2)nc2cccc(CC)c21 ZINC000026723295 171496568 /nfs/dbraw/zinc/49/65/68/171496568.db2.gz QBMFMDHKEAMGPE-UHFFFAOYSA-N 0 0 277.367 4.863 1 0 CJAFRN CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1CC2 ZINC000026737137 171498193 /nfs/dbraw/zinc/49/81/93/171498193.db2.gz WXKRNPVWLVWKQN-GFCCVEGCSA-N 0 0 292.378 4.537 1 0 CJAFRN CCCCc1ccnc(-c2cc(CCCC)ccn2)c1 ZINC000026750241 171498327 /nfs/dbraw/zinc/49/83/27/171498327.db2.gz UYZBYTZLYXZSKV-UHFFFAOYSA-N 0 0 268.404 4.829 1 0 CJAFRN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)C[C@@H]1c1ccc2ccccc2c1 ZINC000026822693 171499931 /nfs/dbraw/zinc/49/99/31/171499931.db2.gz MMQIRPMTFUSCNV-CJODITQLSA-N 0 0 294.394 4.533 1 0 CJAFRN Cc1cc(N)cc(Cl)c1-c1nc2ccccc2s1 ZINC000026994070 171505187 /nfs/dbraw/zinc/50/51/87/171505187.db2.gz PRHLFHMMOQBBSA-UHFFFAOYSA-N 0 0 274.776 4.507 1 0 CJAFRN COc1ccc2c(c1)O[C@@](C)(CCC=C(C)C)C=C2 ZINC000027548227 171520214 /nfs/dbraw/zinc/52/02/14/171520214.db2.gz ILUXDLXBGSJDOL-KRWDZBQOSA-N 0 0 258.361 4.606 1 0 CJAFRN Cc1ccccc1N1CCc2c1c1cccc(F)c1nc2C ZINC000027563905 171522736 /nfs/dbraw/zinc/52/27/36/171522736.db2.gz WGIOXVXYRNFDJX-UHFFFAOYSA-N 0 0 292.357 4.685 1 0 CJAFRN c1ccc(-c2nn(-c3ccccc3)c3c2CCCCC3)cc1 ZINC000027657197 581092413 /nfs/dbraw/zinc/09/24/13/581092413.db2.gz GIWZTQFUECPCLL-UHFFFAOYSA-N 0 0 288.394 4.808 1 0 CJAFRN COC(=O)O[C@@H](C)CC/C=C(\C)CCC=C(C)C ZINC000027740370 171530671 /nfs/dbraw/zinc/53/06/71/171530671.db2.gz FGTOVZDIQPKMGE-UELRPHRMSA-N 0 0 254.370 4.631 1 0 CJAFRN COC(=O)O[C@H](C)CC/C=C(\C)CCC=C(C)C ZINC000027740379 171530741 /nfs/dbraw/zinc/53/07/41/171530741.db2.gz FGTOVZDIQPKMGE-JWAFFJSPSA-N 0 0 254.370 4.631 1 0 CJAFRN Cc1cc(O)ccc1[C@@H](C)[C@H](C)c1ccc(O)cc1C ZINC000027887032 171536824 /nfs/dbraw/zinc/53/68/24/171536824.db2.gz DDONOQVIWKZBJN-KBPBESRZSA-N 0 0 270.372 4.622 1 0 CJAFRN Cc1ccc(O)cc1[C@@H](C)[C@H](C)c1cc(O)ccc1C ZINC000027896260 171537333 /nfs/dbraw/zinc/53/73/33/171537333.db2.gz YAQCSNHDXPFUHQ-KBPBESRZSA-N 0 0 270.372 4.622 1 0 CJAFRN CC(C)(C)C(=O)Oc1ccc2c(c1)C=CC1(CCCCC1)N2 ZINC000028090774 171547190 /nfs/dbraw/zinc/54/71/90/171547190.db2.gz CVTQKZFQOVOOEN-UHFFFAOYSA-N 0 0 299.414 4.780 1 0 CJAFRN O=C(c1ccc(OCc2ccccc2Cl)cc1)C1CC1 ZINC000028528059 171562346 /nfs/dbraw/zinc/56/23/46/171562346.db2.gz GVYVEVHQOIIQBN-UHFFFAOYSA-N 0 0 286.758 4.512 1 0 CJAFRN Cc1cc(O)cc2c1-c1ccc(O)c(C)c1O[C@@H]2CC(C)C ZINC000028570453 171564686 /nfs/dbraw/zinc/56/46/86/171564686.db2.gz XRCMQBQDKLVHIO-QGZVFWFLSA-N 0 0 298.382 4.861 1 0 CJAFRN COc1ccc(-c2ccc(-c3ccc(O)cc3)s2)cc1 ZINC000028571225 171564729 /nfs/dbraw/zinc/56/47/29/171564729.db2.gz WNCPZRMABGADNX-UHFFFAOYSA-N 0 0 282.364 4.796 1 0 in-vivo CJAFRN CCc1nc2c(nc(-c3ccccc3)cc2-c2ccccc2)[nH]1 ZINC000028603972 171566499 /nfs/dbraw/zinc/56/64/99/171566499.db2.gz PMDYRFYZMJGDQY-UHFFFAOYSA-N 0 0 299.377 4.854 1 0 in-vivo CJAFRN CCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(C=O)c2c1 ZINC000028651212 171569531 /nfs/dbraw/zinc/56/95/31/171569531.db2.gz VJBMBSWVYKAWHJ-UHFFFAOYSA-N 0 0 293.366 4.609 1 0 CJAFRN Cc1ccc(-c2[nH]c3cc(Cl)ccc3c2C=O)cc1 ZINC000028651243 171569712 /nfs/dbraw/zinc/56/97/12/171569712.db2.gz XZDDAMQCHRNBJH-UHFFFAOYSA-N 0 0 269.731 4.609 1 0 CJAFRN O=Nc1c2ccccc2[nH]c1C1C(=O)Nc2c1cccc2F ZINC000028710549 171571504 /nfs/dbraw/zinc/57/15/04/171571504.db2.gz CURXWONZHCZVOV-UHFFFAOYSA-N 0 0 295.273 4.559 1 0 CJAFRN COC(=O)C1=C(c2ccc(-c3ccccc3)cc2)CCCC1 ZINC000028714370 171572053 /nfs/dbraw/zinc/57/20/53/171572053.db2.gz DMFIBBAULMICJR-UHFFFAOYSA-N 0 0 292.378 4.854 1 0 CJAFRN COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000028714568 171572502 /nfs/dbraw/zinc/57/25/02/171572502.db2.gz OBKUWTMFPMVPNX-RTBURBONSA-N 0 0 294.394 4.800 1 0 CJAFRN Clc1ccc(Nc2ccnc3ccc4c[nH]nc4c32)cc1 ZINC000028770679 171574584 /nfs/dbraw/zinc/57/45/84/171574584.db2.gz HQMAVUHFTNLTRS-UHFFFAOYSA-N 0 0 294.745 4.508 1 0 CJAFRN COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000028814800 171575746 /nfs/dbraw/zinc/57/57/46/171575746.db2.gz CJOTYXSOAIOWPI-IAGOWNOFSA-N 0 0 288.431 4.821 1 0 CJAFRN COC(=O)C1=C(c2ccc(C(C)(C)C)cc2)CCCCC1 ZINC000028814804 171575530 /nfs/dbraw/zinc/57/55/30/171575530.db2.gz FPDIGUTXTUXSEH-UHFFFAOYSA-N 0 0 286.415 4.875 1 0 CJAFRN CC1(C)C=Cc2c3c(ccc2O1)oc1ccccc13 ZINC000028873238 171579405 /nfs/dbraw/zinc/57/94/05/171579405.db2.gz IWBVETVKZNHKQJ-UHFFFAOYSA-N 0 0 250.297 4.770 1 0 CJAFRN CC1(C)CCc2c3c(ccc2O1)oc1ccccc13 ZINC000028873250 171579498 /nfs/dbraw/zinc/57/94/98/171579498.db2.gz HUHOTPIDORCCCA-UHFFFAOYSA-N 0 0 252.313 4.690 1 0 CJAFRN CC(=O)c1ccc2oc3ccc4c(c3c2c1)C=CC(C)(C)O4 ZINC000028873351 171579487 /nfs/dbraw/zinc/57/94/87/171579487.db2.gz KUSKOMPXKYRHFS-UHFFFAOYSA-N 0 0 292.334 4.973 1 0 CJAFRN CCC(CC)c1nc2cc(Cl)c(Cl)cc2n1C ZINC000028890018 171580155 /nfs/dbraw/zinc/58/01/55/171580155.db2.gz GGYHAXCVGARTNB-UHFFFAOYSA-N 0 0 271.191 4.784 1 0 CJAFRN CC(C)OC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000028957308 171582038 /nfs/dbraw/zinc/58/20/38/171582038.db2.gz IPCUDCIZXKOOCV-UHFFFAOYSA-N 0 0 299.197 4.883 1 0 CJAFRN Fc1ccccc1-c1ncoc1-c1ccc2ncsc2c1 ZINC000029041793 171583786 /nfs/dbraw/zinc/58/37/86/171583786.db2.gz DSSQMXXAMIDQCF-UHFFFAOYSA-N 0 0 296.326 4.757 1 0 CJAFRN CCC[C@@H](CCC[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C)OC(C)=O ZINC000029042467 171584279 /nfs/dbraw/zinc/58/42/79/171584279.db2.gz KHMQKUPBKNZCAL-LTIDMASMSA-N 0 0 280.452 4.961 1 0 CJAFRN CCC[C@@H](CCC[C@H]1[C@@H]2CC[C@@H](C2)C1(C)C)OC(C)=O ZINC000029042471 171584113 /nfs/dbraw/zinc/58/41/13/171584113.db2.gz KHMQKUPBKNZCAL-QZWWFDLISA-N 0 0 280.452 4.961 1 0 CJAFRN CCC[C@H](CCC[C@H]1[C@@H]2CC[C@@H](C2)C1(C)C)OC(C)=O ZINC000029042472 171584158 /nfs/dbraw/zinc/58/41/58/171584158.db2.gz KHMQKUPBKNZCAL-TWMKSMIVSA-N 0 0 280.452 4.961 1 0 CJAFRN COc1ccc([C@H](c2cccs2)c2ccc(O)cc2)cc1 ZINC000029130937 171587608 /nfs/dbraw/zinc/58/76/08/171587608.db2.gz HHTSSSRAILAYRY-GOSISDBHSA-N 0 0 296.391 4.643 1 0 CJAFRN COc1cccc([C@H](c2cccs2)c2ccc(O)cc2)c1 ZINC000029131017 171587871 /nfs/dbraw/zinc/58/78/71/171587871.db2.gz CZNTVZLPYQVAEO-GOSISDBHSA-N 0 0 296.391 4.643 1 0 CJAFRN Cc1ccc2c(ccc3c2[C@H](c2ccccc2)CC(=O)O3)c1 ZINC000029135964 171588143 /nfs/dbraw/zinc/58/81/43/171588143.db2.gz AGEXWKNLAHZFLZ-KRWDZBQOSA-N 0 0 288.346 4.589 1 0 CJAFRN C[C@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C=Cc2occc2[C@H]1CC3 ZINC000029207626 171589220 /nfs/dbraw/zinc/58/92/20/171589220.db2.gz IHJJAWCMANQSDZ-HWUKTEKMSA-N 0 0 298.426 4.748 1 0 CJAFRN C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C=Cc2occc2[C@@H]1CC3 ZINC000029207630 171589097 /nfs/dbraw/zinc/58/90/97/171589097.db2.gz IHJJAWCMANQSDZ-ZNJDGQGJSA-N 0 0 298.426 4.748 1 0 CJAFRN CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CC[C@H](OC)C(C)C ZINC000029314142 171593369 /nfs/dbraw/zinc/59/33/69/171593369.db2.gz CKNSGKUDHZTRIO-LGDADOCUSA-N 0 0 296.451 4.529 1 0 CJAFRN CCNC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)(C)C ZINC000029315780 171593252 /nfs/dbraw/zinc/59/32/52/171593252.db2.gz JYMSMDLWQIFRAC-VQTLTRSMSA-N 0 0 279.468 4.868 1 0 CJAFRN CCCCOc1ccc2ccc(=O)oc2c1CCC(C)C ZINC000029482752 171600674 /nfs/dbraw/zinc/60/06/74/171600674.db2.gz QAXNVFPZXXVLDN-UHFFFAOYSA-N 0 0 288.387 4.561 1 0 CJAFRN O=C1CC(Br)=Cc2ccccc2-c2ccccc21 ZINC000031841567 171649656 /nfs/dbraw/zinc/64/96/56/171649656.db2.gz WTBQKTXQSJRFSR-UHFFFAOYSA-N 0 0 299.167 4.676 1 0 CJAFRN CCn1c2ccc(OC)cc2c(C)c1-c1ccc(OC)cc1 ZINC000032273222 171723130 /nfs/dbraw/zinc/72/31/30/171723130.db2.gz UTTXPSRSTNWYTF-UHFFFAOYSA-N 0 0 295.382 4.654 1 0 CJAFRN CC/C=C/C/C=C\CC/C=C/C=C/C(=O)NCC(C)C ZINC000033832238 290878245 /nfs/dbraw/zinc/87/82/45/290878245.db2.gz YFRGJIVWBMOBIT-NPNWTSAVSA-N 0 0 275.436 4.564 1 0 biogenic,in-vitro CJAFRN CCCc1c2c(c(C)c3c1Oc1ccccc1O3)C(=O)OC2 ZINC000035090757 171973408 /nfs/dbraw/zinc/97/34/08/171973408.db2.gz LRMQFCVUGVJRPA-UHFFFAOYSA-N 0 0 296.322 4.516 1 0 CJAFRN CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccncc1 ZINC000035271649 172092821 /nfs/dbraw/zinc/09/28/21/172092821.db2.gz BOCQIRYQTWRJMD-UHFFFAOYSA-N 0 0 282.318 4.666 1 0 CJAFRN CC(C)c1noc(-c2ccc(F)cc2)c1-c1ccncc1 ZINC000035271652 172092629 /nfs/dbraw/zinc/09/26/29/172092629.db2.gz AAQCZWGHNUPNMG-UHFFFAOYSA-N 0 0 282.318 4.666 1 0 CJAFRN CNc1ccc(-c2nc3cc(F)ccc3s2)cc1Cl ZINC000035273895 172094031 /nfs/dbraw/zinc/09/40/31/172094031.db2.gz KVOBBCMJITWCDS-UHFFFAOYSA-N 0 0 292.766 4.798 1 0 CJAFRN CC(C)=CCC/C(C)=C/COc1ccc(/C=C/CO)cc1 ZINC000035465628 172213168 /nfs/dbraw/zinc/21/31/68/172213168.db2.gz KIMQCOSUCMGDNS-WUSSVBECSA-N 0 0 286.415 4.764 1 0 CJAFRN Cn1ccc2c1cccc2Nc1nc(C(C)(C)C)cs1 ZINC000036159654 172479715 /nfs/dbraw/zinc/47/97/15/172479715.db2.gz RMQJMOPZMRYIKK-UHFFFAOYSA-N 0 0 285.416 4.676 1 0 CJAFRN CC(C)(C)c1coc(Nc2cccc3ccccc32)n1 ZINC000036159700 172479589 /nfs/dbraw/zinc/47/95/89/172479589.db2.gz RDWFLGKWZJPVFQ-UHFFFAOYSA-N 0 0 266.344 4.869 1 0 in-vivo CJAFRN Cc1cccc(Nc2nc(C(C)(C)C)cs2)c1C ZINC000036159709 172479667 /nfs/dbraw/zinc/47/96/67/172479667.db2.gz DNOVKAUCGLWSEE-UHFFFAOYSA-N 0 0 260.406 4.801 1 0 CJAFRN c1[nH]c2cc(-c3ccccc3)ccc2c1-c1ccncc1 ZINC000036338560 172623138 /nfs/dbraw/zinc/62/31/38/172623138.db2.gz QPUYBWAAFGEKSG-UHFFFAOYSA-N 0 0 270.335 4.897 1 0 in-vivo CJAFRN Brc1ccc([C@H]2C=Cc3ccccc32)cc1 ZINC000038142966 174134302 /nfs/dbraw/zinc/13/43/02/174134302.db2.gz SLFBCZGVEBIOFR-OAHLLOKOSA-N 0 0 271.157 4.608 1 0 CJAFRN Brc1ccc([C@@H]2C=Cc3ccccc32)cc1 ZINC000038142967 174134397 /nfs/dbraw/zinc/13/43/97/174134397.db2.gz SLFBCZGVEBIOFR-HNNXBMFYSA-N 0 0 271.157 4.608 1 0 CJAFRN CCCC[C@@H]1C[C@H]1[C@H](NC(=O)c1ccco1)c1ccccc1 ZINC000038179207 174135624 /nfs/dbraw/zinc/13/56/24/174135624.db2.gz JASIFCSCZMBALM-JFIYKMOQSA-N 0 0 297.398 4.577 1 0 CJAFRN CC(C)=CCc1c(O)cc(/C=C/c2ccccc2)cc1O ZINC000038227411 174137470 /nfs/dbraw/zinc/13/74/70/174137470.db2.gz LJFRYKIVTYCTIO-MDZDMXLPSA-N 0 0 280.367 4.777 1 0 CJAFRN Cc1ccc2c(ccn2CCc2c[nH]c3ccccc23)c1 ZINC000038328595 174139231 /nfs/dbraw/zinc/13/92/31/174139231.db2.gz RZWUHYJOFRAEKT-UHFFFAOYSA-N 0 0 274.367 4.674 1 0 CJAFRN CCCCOC(=O)c1c(C)cc2c(c1C)CCCC2(C)C ZINC000038602171 174149356 /nfs/dbraw/zinc/14/93/56/174149356.db2.gz IJBUSODZJAZMLZ-UHFFFAOYSA-N 0 0 288.431 4.874 1 0 CJAFRN CC1=CC[C@@]23C[C@@H]1C[C@@H]2CC[C@H]1C(C)(C)C[C@@H](O)C[C@@]13C ZINC000038877976 290878298 /nfs/dbraw/zinc/87/82/98/290878298.db2.gz FKJQVPKQBRWJPK-JMCXLBPQSA-N 0 0 288.475 4.946 1 0 biogenic,in-vitro CJAFRN CC(C)(C)c1cc(C(=O)CC2CC2)cc2c1OCC2(C)C ZINC000039045528 174161797 /nfs/dbraw/zinc/16/17/97/174161797.db2.gz DMMREKMCZQZNAP-UHFFFAOYSA-N 0 0 286.415 4.637 1 0 CJAFRN COC(=O)CCCCCCCCCCc1ccccc1 ZINC000039154110 560081840 /nfs/dbraw/zinc/08/18/40/560081840.db2.gz OEYUUCWCJJESQQ-UHFFFAOYSA-N 0 0 276.420 4.913 1 0 biogenic,in-vitro CJAFRN CC(C)(C)C(=O)c1cc2c(c(C(C)(C)C)c1)OCC2(C)C ZINC000039174064 174165184 /nfs/dbraw/zinc/16/51/84/174165184.db2.gz RBJDOQWZNDIEFJ-UHFFFAOYSA-N 0 0 288.431 4.883 1 0 CJAFRN CC1(C)CCc2c3cc(-c4ccccn4)oc3ccc2O1 ZINC000040379148 174250191 /nfs/dbraw/zinc/25/01/91/174250191.db2.gz JXYLYSCHVYJKOD-UHFFFAOYSA-N 0 0 279.339 4.598 1 0 CJAFRN Cc1cc(-c2ccncc2)nc2c1cccc2C(C)C ZINC000040379360 174250376 /nfs/dbraw/zinc/25/03/76/174250376.db2.gz YXJATCYBTQLMKH-UHFFFAOYSA-N 0 0 262.356 4.729 1 0 CJAFRN c1ccc(Nc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000040379712 174250163 /nfs/dbraw/zinc/25/01/63/174250163.db2.gz PJEVDMAWKDAPSN-UHFFFAOYSA-N 0 0 285.350 4.745 1 0 in-vivo CJAFRN Clc1ccc2c(c1)CCC[C@H]2Nc1nc2ccccc2[nH]1 ZINC000040380389 174249794 /nfs/dbraw/zinc/24/97/94/174249794.db2.gz FHZMWDRXYFGGNB-CQSZACIVSA-N 0 0 297.789 4.706 1 0 CJAFRN Clc1ccc2c(c1)CCC[C@@H]2Nc1nc2ccccc2[nH]1 ZINC000040380390 174250451 /nfs/dbraw/zinc/25/04/51/174250451.db2.gz FHZMWDRXYFGGNB-AWEZNQCLSA-N 0 0 297.789 4.706 1 0 CJAFRN FC(F)(F)c1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000040380434 174249890 /nfs/dbraw/zinc/24/98/90/174249890.db2.gz AYCBAFIFGGURIT-UHFFFAOYSA-N 0 0 288.272 4.763 1 0 CJAFRN CCC[C@@H](c1ccc(-c2ccccc2)cc1)n1ccnc1 ZINC000040380617 174250797 /nfs/dbraw/zinc/25/07/97/174250797.db2.gz SLKWPFBZPUBKHY-IBGZPJMESA-N 0 0 276.383 4.940 1 0 in-vivo CJAFRN CCC[C@H](c1ccc(-c2ccccc2)cc1)n1ccnc1 ZINC000040380618 174250898 /nfs/dbraw/zinc/25/08/98/174250898.db2.gz SLKWPFBZPUBKHY-LJQANCHMSA-N 0 0 276.383 4.940 1 0 in-vivo CJAFRN COc1ccc(NC(=O)/C=C/C=C(\C)CCC=C(C)C)cc1 ZINC000040392861 174252094 /nfs/dbraw/zinc/25/20/94/174252094.db2.gz GJRMJXOTJLPQJL-VIIYFXFJSA-N 0 0 299.414 4.883 1 0 CJAFRN CCC(/C=C/C(=O)Nc1ccccc1)=C\c1ccccc1 ZINC000040393319 174252346 /nfs/dbraw/zinc/25/23/46/174252346.db2.gz UBVLDSPKXGZNJK-ZBMVRHCNSA-N 0 0 277.367 4.675 1 0 CJAFRN CC1(C)Cc2c(cc3n2CCc2cc(Cl)ccc2-3)C(=O)C1 ZINC000040394147 174252589 /nfs/dbraw/zinc/25/25/89/174252589.db2.gz SXSHQOPJDZBLTC-UHFFFAOYSA-N 0 0 299.801 4.520 1 0 CJAFRN FC(F)(F)c1cccc(-c2nc(-c3ccccc3)c[nH]2)c1 ZINC000040394664 174252726 /nfs/dbraw/zinc/25/27/26/174252726.db2.gz KRKOFVVSRRVGDY-UHFFFAOYSA-N 0 0 288.272 4.763 1 0 CJAFRN COc1ccc(-c2sncc2-c2ccc(C)cc2)cc1 ZINC000040406413 174254319 /nfs/dbraw/zinc/25/43/19/174254319.db2.gz KPYJYWIFJYUIBB-UHFFFAOYSA-N 0 0 281.380 4.794 1 0 in-vivo CJAFRN CC/C(=C\c1cc(O)cc(O)c1)c1ccc(Cl)cc1 ZINC000040406842 174254104 /nfs/dbraw/zinc/25/41/04/174254104.db2.gz IDNWAVYPSUMAQZ-KPKJPENVSA-N 0 0 274.747 4.702 1 0 CJAFRN COC(=O)c1ccc(/C=C/c2cccc(Cl)c2)c(C)c1 ZINC000040411359 174254644 /nfs/dbraw/zinc/25/46/44/174254644.db2.gz GBENSCHTEJFDIV-VOTSOKGWSA-N 0 0 286.758 4.605 1 0 CJAFRN CNc1ccc(/C=C/c2cc3cc(OC)ccc3o2)cc1 ZINC000040421917 174257784 /nfs/dbraw/zinc/25/77/84/174257784.db2.gz HDGZBNVTNVZYRG-VMPITWQZSA-N 0 0 279.339 4.654 1 0 CJAFRN CC1(C)C=Cc2c3cc(-c4ccncc4)oc3ccc2O1 ZINC000040422187 174257869 /nfs/dbraw/zinc/25/78/69/174257869.db2.gz IGJRWNNCEXKPIX-UHFFFAOYSA-N 0 0 277.323 4.679 1 0 CJAFRN C/C(=C\c1ccc(C(F)(F)F)cc1)c1cc(O)cc(O)c1 ZINC000040422944 174258417 /nfs/dbraw/zinc/25/84/17/174258417.db2.gz ZWCWIYZZQPFRBQ-UXBLZVDNSA-N 0 0 294.272 4.677 1 0 CJAFRN CCCCCCN(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000040424177 174258387 /nfs/dbraw/zinc/25/83/87/174258387.db2.gz YBOYHPKXQAJLGN-UHFFFAOYSA-N 0 0 285.387 4.816 1 0 CJAFRN Fc1ccc(-c2ccc3c(c2)CC=C3c2ccncc2)cc1 ZINC000040428831 174258752 /nfs/dbraw/zinc/25/87/52/174258752.db2.gz WLTDHGATAAGUCD-UHFFFAOYSA-N 0 0 287.337 4.876 1 0 CJAFRN Fc1ccc(-c2ccc3c(c2)CC[C@H]3c2cccnc2)cc1 ZINC000040429279 174259462 /nfs/dbraw/zinc/25/94/62/174259462.db2.gz YTOSVNJINOPENX-FQEVSTJZSA-N 0 0 289.353 4.966 1 0 CJAFRN Fc1ccc(-c2ccc3c(c2)CC[C@@H]3c2cccnc2)cc1 ZINC000040429281 174259336 /nfs/dbraw/zinc/25/93/36/174259336.db2.gz YTOSVNJINOPENX-HXUWFJFHSA-N 0 0 289.353 4.966 1 0 CJAFRN Fc1ccc(-c2ccc3c(c2)CC=C3c2cccnc2)cc1 ZINC000040430668 174259815 /nfs/dbraw/zinc/25/98/15/174259815.db2.gz PXMHLKMARVCKIX-UHFFFAOYSA-N 0 0 287.337 4.876 1 0 CJAFRN CC(C)(C)c1csc(Nc2cccc3cccnc32)n1 ZINC000040556727 174330713 /nfs/dbraw/zinc/33/07/13/174330713.db2.gz ADTVKKGXBYFDCC-UHFFFAOYSA-N 0 0 283.400 4.732 1 0 CJAFRN CC(C)(C)c1ccnc(Nc2cccc3ccccc32)n1 ZINC000040565289 174337075 /nfs/dbraw/zinc/33/70/75/174337075.db2.gz FULUAKKAYUKZHX-UHFFFAOYSA-N 0 0 277.371 4.671 1 0 CJAFRN Clc1cccc(C2=N[C@H](c3ccccc3)CO2)c1Cl ZINC000040566116 174337511 /nfs/dbraw/zinc/33/75/11/174337511.db2.gz RLNBJERWMXEGJP-ZDUSSCGKSA-N 0 0 292.165 4.512 1 0 CJAFRN Clc1cccc(C2=N[C@@H](c3ccccc3)CO2)c1Cl ZINC000040566118 174337503 /nfs/dbraw/zinc/33/75/03/174337503.db2.gz RLNBJERWMXEGJP-CYBMUJFWSA-N 0 0 292.165 4.512 1 0 CJAFRN Clc1cccc(Cl)c1C1=N[C@H](c2ccccc2)CO1 ZINC000040753533 174396140 /nfs/dbraw/zinc/39/61/40/174396140.db2.gz BNVYNPWJKASBOZ-ZDUSSCGKSA-N 0 0 292.165 4.512 1 0 CJAFRN Clc1cccc(Cl)c1C1=N[C@@H](c2ccccc2)CO1 ZINC000040753535 174395999 /nfs/dbraw/zinc/39/59/99/174395999.db2.gz BNVYNPWJKASBOZ-CYBMUJFWSA-N 0 0 292.165 4.512 1 0 CJAFRN Clc1ccc(Cl)c(C2=N[C@H](c3ccccc3)CO2)c1 ZINC000040762429 174397252 /nfs/dbraw/zinc/39/72/52/174397252.db2.gz IUVCPTQHERAVBY-AWEZNQCLSA-N 0 0 292.165 4.512 1 0 CJAFRN Clc1ccc(Cl)c(C2=N[C@@H](c3ccccc3)CO2)c1 ZINC000040762431 174397066 /nfs/dbraw/zinc/39/70/66/174397066.db2.gz IUVCPTQHERAVBY-CQSZACIVSA-N 0 0 292.165 4.512 1 0 CJAFRN Clc1ccc(C2=N[C@H](c3ccccc3)CO2)c(Cl)c1 ZINC000040762540 174397294 /nfs/dbraw/zinc/39/72/94/174397294.db2.gz XWMGEERNOXBKOI-AWEZNQCLSA-N 0 0 292.165 4.512 1 0 CJAFRN Clc1ccc(C2=N[C@@H](c3ccccc3)CO2)c(Cl)c1 ZINC000040762542 174397125 /nfs/dbraw/zinc/39/71/25/174397125.db2.gz XWMGEERNOXBKOI-CQSZACIVSA-N 0 0 292.165 4.512 1 0 CJAFRN Cn1c2ccc(F)cc2c2c1-c1ccc(F)cc1SC2 ZINC000040763448 174397105 /nfs/dbraw/zinc/39/71/05/174397105.db2.gz FEQIXMAUAKGDEQ-UHFFFAOYSA-N 0 0 287.334 4.729 1 0 CJAFRN Cc1ccc2c(c1)c1c(n2C)-c2ccccc2SC1 ZINC000040767120 174398202 /nfs/dbraw/zinc/39/82/02/174398202.db2.gz OLUNDIDQAGIJHQ-UHFFFAOYSA-N 0 0 265.381 4.759 1 0 CJAFRN CC(=O)CC/C=C(\C)CCC1=C(C)CC[C@H](O)C1(C)C ZINC000040835967 174418507 /nfs/dbraw/zinc/41/85/07/174418507.db2.gz BOCJMIRVDOHYKS-BNXPMYBGSA-N 0 0 278.436 4.580 1 0 CJAFRN O=c1cc(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]1 ZINC000040845773 174419153 /nfs/dbraw/zinc/41/91/53/174419153.db2.gz KAMBXYAMFJKAJP-UHFFFAOYSA-N 0 0 290.149 4.502 1 0 CJAFRN Clc1cccc2c1CCC[C@@H]2Nc1nc2ccccc2[nH]1 ZINC000040847409 174419378 /nfs/dbraw/zinc/41/93/78/174419378.db2.gz JXQZLHYWQBGVOS-AWEZNQCLSA-N 0 0 297.789 4.706 1 0 CJAFRN FC(F)(F)c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1 ZINC000040876269 174427354 /nfs/dbraw/zinc/42/73/54/174427354.db2.gz VHNCWTDEMBCLFE-UHFFFAOYSA-N 0 0 288.272 4.763 1 0 CJAFRN CC(C)=CCC/C(C)=C/C=C/C(=O)N(C(C)C)C(C)C ZINC000040893096 174428817 /nfs/dbraw/zinc/42/88/17/174428817.db2.gz IHAPHFBUSDTCTK-PPIKXHHKSA-N 0 0 277.452 4.881 1 0 CJAFRN CCCOC(=O)N1c2ccccc2Sc2ccccc21 ZINC000040934963 535216626 /nfs/dbraw/zinc/21/66/26/535216626.db2.gz HTAOVCDDPCZXCU-UHFFFAOYSA-N 0 0 285.368 4.836 1 0 CJAFRN CSc1ccc([C@@H]2CSc3ccccc3N2)cc1 ZINC000040936386 174437100 /nfs/dbraw/zinc/43/71/00/174437100.db2.gz CKYBUZPMONPXMA-AWEZNQCLSA-N 0 0 273.426 4.667 1 0 CJAFRN CSc1ccc([C@H]2CSc3ccccc3N2)cc1 ZINC000040936388 174436918 /nfs/dbraw/zinc/43/69/18/174436918.db2.gz CKYBUZPMONPXMA-CQSZACIVSA-N 0 0 273.426 4.667 1 0 CJAFRN c1ccc(CCCC2=NO[C@H](c3ccccc3)C2)cc1 ZINC000040939258 174436840 /nfs/dbraw/zinc/43/68/40/174436840.db2.gz VRULQYCGVJWOMS-SFHVURJKSA-N 0 0 265.356 4.527 1 0 CJAFRN c1ccc(CCCC2=NO[C@@H](c3ccccc3)C2)cc1 ZINC000040939260 174437201 /nfs/dbraw/zinc/43/72/01/174437201.db2.gz VRULQYCGVJWOMS-GOSISDBHSA-N 0 0 265.356 4.527 1 0 CJAFRN CC1(C)CCc2c3cc(-c4cccnc4)oc3ccc2O1 ZINC000040949995 174438191 /nfs/dbraw/zinc/43/81/91/174438191.db2.gz HEUSPRYSJMXALP-UHFFFAOYSA-N 0 0 279.339 4.598 1 0 CJAFRN Fc1ccc(-c2ccc3c(c2)CC[C@@H]3c2ccncc2)cc1 ZINC000040972446 174443343 /nfs/dbraw/zinc/44/33/43/174443343.db2.gz PTEZOPVEPNOBKC-LJQANCHMSA-N 0 0 289.353 4.966 1 0 CJAFRN COc1ccc2cc(-c3cncc([C@@H](C)OC)c3)ccc2c1 ZINC000040977532 174445185 /nfs/dbraw/zinc/44/51/85/174445185.db2.gz OMFRIZLPVDHNSI-CYBMUJFWSA-N 0 0 293.366 4.618 1 0 CJAFRN CC[C@@H](c1ccc(-c2ccc(F)cc2)cc1)n1ccnc1 ZINC000040979620 174444930 /nfs/dbraw/zinc/44/49/30/174444930.db2.gz KLKPPBLZHPPOIH-SFHVURJKSA-N 0 0 280.346 4.689 1 0 CJAFRN Fc1cccc([C@@H]2Cc3[nH]c4ccccc4c3S2)c1 ZINC000042920138 174916895 /nfs/dbraw/zinc/91/68/95/174916895.db2.gz WYILUCSDNDJDFG-HNNXBMFYSA-N 0 0 269.344 4.697 1 0 CJAFRN Fc1ccc2c(ccn2CCc2c[nH]c3ccccc23)c1 ZINC000042920285 174916610 /nfs/dbraw/zinc/91/66/10/174916610.db2.gz WPQTXCPKAHCBMX-UHFFFAOYSA-N 0 0 278.330 4.504 1 0 CJAFRN c1ccc([C@H]2Cc3[nH]c4ccccc4c3S2)cc1 ZINC000042963519 174927697 /nfs/dbraw/zinc/92/76/97/174927697.db2.gz JLZHWERIXREWRL-OAHLLOKOSA-N 0 0 251.354 4.557 1 0 CJAFRN Fc1ccc2[nH]c3c(c2c1)S[C@@H](c1ccccc1)C3 ZINC000042965029 174928813 /nfs/dbraw/zinc/92/88/13/174928813.db2.gz QEBABQJYBYVTLJ-OAHLLOKOSA-N 0 0 269.344 4.697 1 0 CJAFRN O=c1oc(-c2ccc(F)cc2)cc2c3ccccc3sc21 ZINC000043009756 174940950 /nfs/dbraw/zinc/94/09/50/174940950.db2.gz MPSPELMDXSBFCQ-UHFFFAOYSA-N 0 0 296.322 4.814 1 0 CJAFRN Clc1ccc(-c2nnc(-c3c[nH]c4ccccc34)o2)cc1 ZINC000043016806 174943702 /nfs/dbraw/zinc/94/37/02/174943702.db2.gz RFNNOKOGDAAVIM-UHFFFAOYSA-N 0 0 295.729 4.538 1 0 CJAFRN CC[C@H](c1ccc(-c2ccc(OC)cc2)cc1)n1ccnc1 ZINC000043022953 174945390 /nfs/dbraw/zinc/94/53/90/174945390.db2.gz MXGGEXTWVYTKEG-LJQANCHMSA-N 0 0 292.382 4.558 1 0 CJAFRN CC(C)(C)C(=O)c1cc2c(cc1O)C(C)(C)CCC2(C)C ZINC000043062973 174961360 /nfs/dbraw/zinc/96/13/60/174961360.db2.gz OGKKOWHYYYQMAC-UHFFFAOYSA-N 0 0 288.431 4.970 1 0 CJAFRN Fc1ccc2c(ccn2CCc2c[nH]c3ccc(F)cc23)c1 ZINC000043078604 174962306 /nfs/dbraw/zinc/96/23/06/174962306.db2.gz IATLPOGHDMIAKD-UHFFFAOYSA-N 0 0 296.320 4.644 1 0 CJAFRN Cc1ccc([C@@H]2Cc3[nH]c4ccccc4c3S2)cc1 ZINC000043079777 174962362 /nfs/dbraw/zinc/96/23/62/174962362.db2.gz AMZKXNATACXMRX-INIZCTEOSA-N 0 0 265.381 4.866 1 0 CJAFRN O=c1c(/C=C/c2ccccc2)coc2ccc(Cl)cc12 ZINC000044604473 175215964 /nfs/dbraw/zinc/21/59/64/175215964.db2.gz XLMNQVNCVSEOOX-VOTSOKGWSA-N 0 0 282.726 4.617 1 0 CJAFRN Nc1ncc(-c2ccccc2)cc1-c1cccc2ncccc21 ZINC000045167560 175319529 /nfs/dbraw/zinc/31/95/29/175319529.db2.gz JJWJNXDRYFWKHZ-UHFFFAOYSA-N 0 0 297.361 4.546 1 0 CJAFRN CC(C)(C)c1ccc2nccc(Nc3cccc(O)c3)c2c1 ZINC000045168632 175320131 /nfs/dbraw/zinc/32/01/31/175320131.db2.gz YLGOFBVUMIJIPS-UHFFFAOYSA-N 0 0 292.382 4.982 1 0 CJAFRN Cc1[nH]c(C)c(-c2csc3ccccc23)c(=O)c1Cl ZINC000045187502 175326452 /nfs/dbraw/zinc/32/64/52/175326452.db2.gz AVNSZUDVCZBRCE-UHFFFAOYSA-N 0 0 289.787 4.527 1 0 CJAFRN CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000045192883 175326852 /nfs/dbraw/zinc/32/68/52/175326852.db2.gz LEXBUZYVLYBNSB-UHFFFAOYSA-N 0 0 297.398 4.814 1 0 CJAFRN c1ccc(COc2ccc(C3CCCCC3)cc2)nc1 ZINC000045195818 175326876 /nfs/dbraw/zinc/32/68/76/175326876.db2.gz NXDJSDLXMLOCDU-UHFFFAOYSA-N 0 0 267.372 4.708 1 0 CJAFRN CCCCNc1nccc2ccc(-c3ccncc3)cc21 ZINC000045201352 175327144 /nfs/dbraw/zinc/32/71/44/175327144.db2.gz MBDVOMMZJZVFLP-UHFFFAOYSA-N 0 0 277.371 4.509 1 0 CJAFRN FC(F)(F)c1ccc2c(/C=C/c3ccncc3)c[nH]c2c1 ZINC000045228318 175333536 /nfs/dbraw/zinc/33/35/36/175333536.db2.gz YRKSARBKDGHCQA-OWOJBTEDSA-N 0 0 288.272 4.752 1 0 CJAFRN Cc1ccc2[nH]c(C=Cc3cccc4cc[nH]c43)nc2c1 ZINC000045231336 175335274 /nfs/dbraw/zinc/33/52/74/175335274.db2.gz VIWQZPYPIMFBOG-SOFGYWHQSA-N 0 0 273.339 4.523 1 0 CJAFRN Cc1sc(Nc2cccc(C)c2)nc1-c1ccncc1 ZINC000045246012 175336350 /nfs/dbraw/zinc/33/63/50/175336350.db2.gz XCZHVAGKTIELSU-UHFFFAOYSA-N 0 0 281.384 4.566 1 0 CJAFRN CCc1cc(-c2csc(Nc3cccc(C)c3)n2)ccn1 ZINC000045246013 175336325 /nfs/dbraw/zinc/33/63/25/175336325.db2.gz OFLONNQNSLADQI-UHFFFAOYSA-N 0 0 295.411 4.820 1 0 CJAFRN c1ccc2c(c1)onc2Nc1cccc2ccccc21 ZINC000045246049 175336475 /nfs/dbraw/zinc/33/64/75/175336475.db2.gz SOIDHQDYGYBXPJ-UHFFFAOYSA-N 0 0 260.296 4.725 1 0 in-vivo CJAFRN CCc1cccc(Nc2nc(-c3ccncc3)cs2)c1 ZINC000045253418 175336793 /nfs/dbraw/zinc/33/67/93/175336793.db2.gz JYERGJYQBSCYBA-UHFFFAOYSA-N 0 0 281.384 4.511 1 0 CJAFRN CCN(c1nc(-c2ccncc2)cs1)c1cccc(C)c1 ZINC000045253567 175336708 /nfs/dbraw/zinc/33/67/08/175336708.db2.gz KKKGZDFGQOQMMM-UHFFFAOYSA-N 0 0 295.411 4.672 1 0 CJAFRN Cc1cccc(Nc2nc(-c3ccnc(C)c3)cs2)c1 ZINC000045253632 175336723 /nfs/dbraw/zinc/33/67/23/175336723.db2.gz XOCVBZSTFSSRIH-UHFFFAOYSA-N 0 0 281.384 4.566 1 0 CJAFRN Oc1cccc(-c2cc(-c3ccc(O)c(F)c3)cs2)c1 ZINC000045254231 175336688 /nfs/dbraw/zinc/33/66/88/175336688.db2.gz MOBQDOLSPUFHFF-UHFFFAOYSA-N 0 0 286.327 4.632 1 0 in-vivo CJAFRN Oc1ccc(-c2ccc(-c3ccc(F)c(O)c3)s2)cc1 ZINC000045254282 175336830 /nfs/dbraw/zinc/33/68/30/175336830.db2.gz QFKIHVDWWIPQTB-UHFFFAOYSA-N 0 0 286.327 4.632 1 0 in-vivo CJAFRN Oc1cccc(-c2ccc(-c3ccc(O)c(F)c3)cc2)c1 ZINC000045254826 175336946 /nfs/dbraw/zinc/33/69/46/175336946.db2.gz JNOWDEFWQPRYLB-UHFFFAOYSA-N 0 0 280.298 4.571 1 0 in-vivo CJAFRN Cc1cc(-c2ccc(-c3cccc(O)c3)cc2)ccc1O ZINC000045255036 175336574 /nfs/dbraw/zinc/33/65/74/175336574.db2.gz NXOBKCKXSAATAY-UHFFFAOYSA-N 0 0 276.335 4.740 1 0 in-vivo CJAFRN Cc1cc(-c2csc(-c3cccc(O)c3)c2)ccc1O ZINC000045255595 175336659 /nfs/dbraw/zinc/33/66/59/175336659.db2.gz STFVOGWUKNAWOF-UHFFFAOYSA-N 0 0 282.364 4.802 1 0 in-vivo CJAFRN CCc1cnccc1-c1csc(Nc2cccc(C)c2)n1 ZINC000045255835 175336929 /nfs/dbraw/zinc/33/69/29/175336929.db2.gz JVHNETCTOAPCLG-UHFFFAOYSA-N 0 0 295.411 4.820 1 0 CJAFRN Oc1cccc(-c2ccc(-c3ccc(F)cc3)s2)c1 ZINC000045258161 175337231 /nfs/dbraw/zinc/33/72/31/175337231.db2.gz LBERAJGCBDGPHK-UHFFFAOYSA-N 0 0 270.328 4.927 1 0 in-vivo CJAFRN Cc1ccc(-c2ccc(-c3ccc(O)cc3)s2)cc1O ZINC000045261484 175337307 /nfs/dbraw/zinc/33/73/07/175337307.db2.gz OFIDFGRZHHYCHE-UHFFFAOYSA-N 0 0 282.364 4.802 1 0 CJAFRN Oc1cccc(-c2ccc(-c3ccc(F)c(O)c3)cc2)c1 ZINC000045261568 175337163 /nfs/dbraw/zinc/33/71/63/175337163.db2.gz MCDQJOWWXZILHP-UHFFFAOYSA-N 0 0 280.298 4.571 1 0 in-vivo CJAFRN Cc1cccc(Nc2nc(-c3ccncc3C)cs2)c1 ZINC000045285151 175353278 /nfs/dbraw/zinc/35/32/78/175353278.db2.gz NRPBNVYESJNNSF-UHFFFAOYSA-N 0 0 281.384 4.566 1 0 CJAFRN Cc1cc(-c2cccc(O)c2)sc1-c1cccc(O)c1 ZINC000045285735 175353427 /nfs/dbraw/zinc/35/34/27/175353427.db2.gz LRHCSXOEZSEMIF-UHFFFAOYSA-N 0 0 282.364 4.802 1 0 in-vivo CJAFRN O=C(c1ccc(-c2ccc3[nH]ccc3c2)s1)C(F)(F)F ZINC000045286235 175353616 /nfs/dbraw/zinc/35/36/16/175353616.db2.gz JMQFSSOVURLFTA-UHFFFAOYSA-N 0 0 295.285 4.641 1 0 CJAFRN CCC[C@]1(C2=CCc3ccccc32)Cc2ccccc2C1=O ZINC000045286635 175353907 /nfs/dbraw/zinc/35/39/07/175353907.db2.gz CNXXWBOFFJQOKR-OAQYLSRUSA-N 0 0 288.390 4.852 1 0 CJAFRN CCC[C@@]1(C2=CCc3ccccc32)Cc2ccccc2C1=O ZINC000045286637 175353872 /nfs/dbraw/zinc/35/38/72/175353872.db2.gz CNXXWBOFFJQOKR-NRFANRHFSA-N 0 0 288.390 4.852 1 0 CJAFRN CCCC[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000045286943 175354092 /nfs/dbraw/zinc/35/40/92/175354092.db2.gz KYXGPCJSDDMHFM-INIZCTEOSA-N 0 0 270.372 4.614 1 0 CJAFRN CCCC[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000045286945 175354143 /nfs/dbraw/zinc/35/41/43/175354143.db2.gz KYXGPCJSDDMHFM-MRXNPFEDSA-N 0 0 270.372 4.614 1 0 CJAFRN c1ccc2c(c1)onc2Nc1ccc2ccccc2c1 ZINC000045288826 175353964 /nfs/dbraw/zinc/35/39/64/175353964.db2.gz KQZPQVBDFIHPIN-UHFFFAOYSA-N 0 0 260.296 4.725 1 0 in-vivo CJAFRN Oc1cccc(-c2ccc(-c3cccc(F)c3)s2)c1 ZINC000045291300 175354121 /nfs/dbraw/zinc/35/41/21/175354121.db2.gz BZEWIGQYBSBQAI-UHFFFAOYSA-N 0 0 270.328 4.927 1 0 in-vivo CJAFRN FC(F)(F)c1ccccc1Nc1noc2ccccc21 ZINC000045291539 175354653 /nfs/dbraw/zinc/35/46/53/175354653.db2.gz UNNTZHMGTYIUTH-UHFFFAOYSA-N 0 0 278.233 4.590 1 0 CJAFRN Oc1ccc(CC2(c3ccc(O)cc3)CCCCC2)cc1 ZINC000045291640 175354665 /nfs/dbraw/zinc/35/46/65/175354665.db2.gz QBHJLIYDWHMXFT-UHFFFAOYSA-N 0 0 282.383 4.542 1 0 CJAFRN Oc1cccc(-c2ccc(-c3ccc(O)c(F)c3)s2)c1 ZINC000045298705 175354697 /nfs/dbraw/zinc/35/46/97/175354697.db2.gz NRSWHXCLBQLBRC-UHFFFAOYSA-N 0 0 286.327 4.632 1 0 in-vivo CJAFRN CCOC(=O)c1c(C)c(-c2ccccc2)sc1Cl ZINC000045299161 175354840 /nfs/dbraw/zinc/35/48/40/175354840.db2.gz FZHHENRKEAZEEJ-UHFFFAOYSA-N 0 0 280.776 4.554 1 0 CJAFRN FC(F)(F)c1ccc(Nc2noc3ccccc32)cc1 ZINC000045300602 175354833 /nfs/dbraw/zinc/35/48/33/175354833.db2.gz WXMGPLMLQJARMG-UHFFFAOYSA-N 0 0 278.233 4.590 1 0 CJAFRN CCC[C@]1(C2=CCc3ccccc32)Cc2ccccc2[C@@H]1O ZINC000045300766 175354888 /nfs/dbraw/zinc/35/48/88/175354888.db2.gz YYGSNYIVZOJBJG-LEWJYISDSA-N 0 0 290.406 4.702 1 0 CJAFRN CCC[C@@]1(C2=CCc3ccccc32)Cc2ccccc2[C@@H]1O ZINC000045300768 175354885 /nfs/dbraw/zinc/35/48/85/175354885.db2.gz YYGSNYIVZOJBJG-SFTDATJTSA-N 0 0 290.406 4.702 1 0 CJAFRN CCC[C@]1(C2=CCc3ccccc32)Cc2ccccc2[C@H]1O ZINC000045300770 175355113 /nfs/dbraw/zinc/35/51/13/175355113.db2.gz YYGSNYIVZOJBJG-NHCUHLMSSA-N 0 0 290.406 4.702 1 0 CJAFRN CCC[C@@]1(C2=CCc3ccccc32)Cc2ccccc2[C@H]1O ZINC000045300772 175355094 /nfs/dbraw/zinc/35/50/94/175355094.db2.gz YYGSNYIVZOJBJG-RTWAWAEBSA-N 0 0 290.406 4.702 1 0 CJAFRN FC(F)(F)c1ccc2cc3n(c2c1)CCc1ccccc1-3 ZINC000045300812 175355061 /nfs/dbraw/zinc/35/50/61/175355061.db2.gz NMERDBNCYYDAQE-UHFFFAOYSA-N 0 0 287.284 4.883 1 0 CJAFRN CC1=CC(C)(C)Nc2ccc(OCCc3ccccc3)cc21 ZINC000045302136 175354930 /nfs/dbraw/zinc/35/49/30/175354930.db2.gz QVSGYTBNUUTPOY-UHFFFAOYSA-N 0 0 293.410 4.916 1 0 CJAFRN CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000045302558 175355170 /nfs/dbraw/zinc/35/51/70/175355170.db2.gz BKFRFHCIZQYHLV-UHFFFAOYSA-N 0 0 283.415 4.916 1 0 CJAFRN Cc1cc(C)cc(Nc2nc(-c3ccncc3)cs2)c1 ZINC000045302647 175355725 /nfs/dbraw/zinc/35/57/25/175355725.db2.gz MCWAGEPWOLGVIE-UHFFFAOYSA-N 0 0 281.384 4.566 1 0 CJAFRN Cc1cc(O)cc(-c2ccc(-c3ccc(O)cc3)s2)c1 ZINC000045316488 175358286 /nfs/dbraw/zinc/35/82/86/175358286.db2.gz NWLAWEHHCISQCM-UHFFFAOYSA-N 0 0 282.364 4.802 1 0 in-vivo CJAFRN Oc1ccc(-c2ccc(-c3cc(O)cc(F)c3)s2)cc1 ZINC000045316492 175357671 /nfs/dbraw/zinc/35/76/71/175357671.db2.gz OWTLTMXTNPNZPH-UHFFFAOYSA-N 0 0 286.327 4.632 1 0 in-vivo CJAFRN FC(F)(F)c1ccc2c(cc3n2CCc2ccccc2-3)c1 ZINC000045322528 175359685 /nfs/dbraw/zinc/35/96/85/175359685.db2.gz WZCUUVCJMJLUIR-UHFFFAOYSA-N 0 0 287.284 4.883 1 0 CJAFRN Cc1nc(-c2coc(-c3c(C)cccc3C)c2)[nH]c1C ZINC000045337384 175360612 /nfs/dbraw/zinc/36/06/12/175360612.db2.gz PPIXQIIYRAQKQC-UHFFFAOYSA-N 0 0 266.344 4.570 1 0 CJAFRN Fc1ccc2c(c1)oc(-c1ccccc1)cc2=S ZINC000045338284 175360622 /nfs/dbraw/zinc/36/06/22/175360622.db2.gz NODMCHGAALNZRH-UHFFFAOYSA-N 0 0 256.301 4.968 1 0 CJAFRN Brc1ccc2c(c1)Cc1c3ccccc3[nH]c1-2 ZINC000045339881 175361271 /nfs/dbraw/zinc/36/12/71/175361271.db2.gz UDCPKOZAKWHAJJ-UHFFFAOYSA-N 0 0 284.156 4.502 1 0 CJAFRN O=Cc1c2ccccc2sc1-c1cnc2ccccc2c1 ZINC000045347791 175361768 /nfs/dbraw/zinc/36/17/68/175361768.db2.gz URIPUHLLDFWVEX-UHFFFAOYSA-N 0 0 289.359 4.929 1 0 CJAFRN CCCCOc1cc2cc(C)nc3cc(C)oc(c1)c23 ZINC000045348020 175361788 /nfs/dbraw/zinc/36/17/88/175361788.db2.gz XCZFJRXDXPQLGM-UHFFFAOYSA-N 0 0 269.344 4.777 1 0 CJAFRN CC(C)(C)[C@H]1Nc2ccccc2-c2ccnc3[nH]cc1c32 ZINC000045348105 175361645 /nfs/dbraw/zinc/36/16/45/175361645.db2.gz JNAUYNUINIYNHS-INIZCTEOSA-N 0 0 277.371 4.743 1 0 CJAFRN CC(C)(C)[C@@H]1Nc2ccccc2-c2ccnc3[nH]cc1c32 ZINC000045348108 175361802 /nfs/dbraw/zinc/36/18/02/175361802.db2.gz JNAUYNUINIYNHS-MRXNPFEDSA-N 0 0 277.371 4.743 1 0 CJAFRN c1[nH]c2nccc3c2c1[C@@H](c1ccccc1)Nc1ccccc1-3 ZINC000045350980 175361560 /nfs/dbraw/zinc/36/15/60/175361560.db2.gz ZQVHTTDMWSMUTQ-LJQANCHMSA-N 0 0 297.361 4.745 1 0 CJAFRN c1[nH]c2nccc3c2c1[C@H](c1ccccc1)Nc1ccccc1-3 ZINC000045350984 175361870 /nfs/dbraw/zinc/36/18/70/175361870.db2.gz ZQVHTTDMWSMUTQ-IBGZPJMESA-N 0 0 297.361 4.745 1 0 CJAFRN CNc1cc2c(cc1O)CC[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@H]21 ZINC000045351886 175361638 /nfs/dbraw/zinc/36/16/38/175361638.db2.gz CSUBNOHVQCLNET-MVWRLGRASA-N 0 0 285.431 4.680 1 0 CJAFRN CC(C)[C@H](CNc1nccs1)c1ccc(Cl)cc1 ZINC000045353384 175361473 /nfs/dbraw/zinc/36/14/73/175361473.db2.gz VTCLDCWNWKUZIN-ZDUSSCGKSA-N 0 0 280.824 4.648 1 0 CJAFRN FC(F)c1c2ccccc2sc1-c1ccccn1 ZINC000045353461 175361943 /nfs/dbraw/zinc/36/19/43/175361943.db2.gz QNWZJUOVEDTYDU-UHFFFAOYSA-N 0 0 261.296 4.901 1 0 CJAFRN Cc1ccccc1NC(=O)c1cccc2c1Cc1ccccc1-2 ZINC000045355442 175361921 /nfs/dbraw/zinc/36/19/21/175361921.db2.gz HZCHUEZQBZZKPJ-UHFFFAOYSA-N 0 0 299.373 4.819 1 0 CJAFRN Cc1nc(-c2ccc(-c3c(C)cccc3C)cc2)[nH]c1C ZINC000045355722 175362154 /nfs/dbraw/zinc/36/21/54/175362154.db2.gz ISIWHSRQISJNTI-UHFFFAOYSA-N 0 0 276.383 4.977 1 0 CJAFRN O=Cc1ccc(Oc2csc3ccccc23)cc1 ZINC000045358086 175361990 /nfs/dbraw/zinc/36/19/90/175361990.db2.gz MGRRFFNZBGUMST-UHFFFAOYSA-N 0 0 254.310 4.506 1 0 CJAFRN Cc1nc(-c2cccc(-c3ccccc3C)c2)[nH]c1C ZINC000045358664 175362324 /nfs/dbraw/zinc/36/23/24/175362324.db2.gz GBHJSTUQYYZQSY-UHFFFAOYSA-N 0 0 262.356 4.669 1 0 CJAFRN COc1ccc(/C=C\Cc2c(C)cccc2C)cc1OC ZINC000045364307 175362726 /nfs/dbraw/zinc/36/27/26/175362726.db2.gz GXYKDCKNSKUSNL-TWGQIWQCSA-N 0 0 282.383 4.577 1 0 CJAFRN CCCCCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000045364934 175362677 /nfs/dbraw/zinc/36/26/77/175362677.db2.gz HMQTUQATRFGYIZ-UHFFFAOYSA-N 0 0 267.372 4.672 1 0 CJAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(N)=O ZINC000045365178 175362664 /nfs/dbraw/zinc/36/26/64/175362664.db2.gz SLPLDSHPFQWBPF-NCZFFCEISA-N 0 0 263.425 4.671 1 0 CJAFRN Cc1nc(-c2cccc(-c3c(C)cccc3C)c2)n(C)c1C ZINC000045366046 175362606 /nfs/dbraw/zinc/36/26/06/175362606.db2.gz AFEIJUGUKRDFSB-UHFFFAOYSA-N 0 0 290.410 4.988 1 0 CJAFRN Cc1nc(-c2cccc(-c3c(C)cccc3C)c2)cn1C ZINC000045366052 175362307 /nfs/dbraw/zinc/36/23/07/175362307.db2.gz VDRUTAGAFRMOAI-UHFFFAOYSA-N 0 0 276.383 4.679 1 0 CJAFRN Cc1nc(-c2cccc(-c3c(C)cccc3C)c2)[nH]c1C ZINC000045367521 175362962 /nfs/dbraw/zinc/36/29/62/175362962.db2.gz SOQNSMLLFJYLMN-UHFFFAOYSA-N 0 0 276.383 4.977 1 0 CJAFRN COc1ccc(-c2cc(=S)c3ccc(F)cc3o2)cc1 ZINC000045370917 175364247 /nfs/dbraw/zinc/36/42/47/175364247.db2.gz NVNBHWBBYMPPIT-UHFFFAOYSA-N 0 0 286.327 4.977 1 0 CJAFRN O=C1Nc2ccc(Cl)cc2CN1CCC1CCCCC1 ZINC000045372991 175364774 /nfs/dbraw/zinc/36/47/74/175364774.db2.gz GEEYUONLASMZIK-UHFFFAOYSA-N 0 0 292.810 4.658 1 0 CJAFRN CC(C)C[C@H]1Nc2ccccc2-c2ccnc3[nH]cc1c32 ZINC000045384622 175371892 /nfs/dbraw/zinc/37/18/92/175371892.db2.gz ORABEIWEEDUFJI-MRXNPFEDSA-N 0 0 277.371 4.743 1 0 CJAFRN CC(C)C[C@@H]1Nc2ccccc2-c2ccnc3[nH]cc1c32 ZINC000045384627 175371678 /nfs/dbraw/zinc/37/16/78/175371678.db2.gz ORABEIWEEDUFJI-INIZCTEOSA-N 0 0 277.371 4.743 1 0 CJAFRN Cc1cc(=O)oc2c3c(ccc12)occ3-c1ccccc1 ZINC000045384791 175371658 /nfs/dbraw/zinc/37/16/58/175371658.db2.gz KPPQMQHYVGEECE-UHFFFAOYSA-N 0 0 276.291 4.515 1 0 CJAFRN Cc1nc(-c2ccc(-c3c(C)cccc3C)o2)[nH]c1C ZINC000045385659 175372233 /nfs/dbraw/zinc/37/22/33/175372233.db2.gz QWUXPUFRVJTBFL-UHFFFAOYSA-N 0 0 266.344 4.570 1 0 CJAFRN Cc1cscc1-c1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000045386251 175372234 /nfs/dbraw/zinc/37/22/34/175372234.db2.gz ZTGSCJCUPYZCOR-UHFFFAOYSA-N 0 0 268.385 4.730 1 0 CJAFRN COc1c2ccccc2sc1-c1ccccc1C ZINC000045387837 175373608 /nfs/dbraw/zinc/37/36/08/175373608.db2.gz YWWZXIHQKTUVAM-UHFFFAOYSA-N 0 0 254.354 4.885 1 0 CJAFRN COc1cc2c(cc1O)CC[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@H]21 ZINC000045390113 175374355 /nfs/dbraw/zinc/37/43/55/175374355.db2.gz ZAKWVBZLRDHTMB-MVWRLGRASA-N 0 0 286.415 4.647 1 0 CJAFRN COc1ccc(-c2cc(=S)c3ccc(OC)cc3o2)cc1 ZINC000045391552 175374705 /nfs/dbraw/zinc/37/47/05/175374705.db2.gz ZYXKUYXLZDABHC-UHFFFAOYSA-N 0 0 298.363 4.846 1 0 CJAFRN COc1ccc(C/C=C/c2c(C)cccc2C)cc1OC ZINC000045393230 175375852 /nfs/dbraw/zinc/37/58/52/175375852.db2.gz KSENBEBFBQDRQM-UXBLZVDNSA-N 0 0 282.383 4.577 1 0 CJAFRN Fc1ccc(-c2cc(=S)c3ccccc3o2)cc1 ZINC000045393940 175376099 /nfs/dbraw/zinc/37/60/99/175376099.db2.gz CUVYXRNRTAEVJN-UHFFFAOYSA-N 0 0 256.301 4.968 1 0 CJAFRN Cc1nc(-c2cccc(C=Cc3ccccc3)c2)[nH]c1C ZINC000045394013 175376187 /nfs/dbraw/zinc/37/61/87/175376187.db2.gz OMHSTVRDTWTYAU-VAWYXSNFSA-N 0 0 274.367 4.864 1 0 CJAFRN COc1ccc2c(c1)oc(-c1ccc(F)cc1)cc2=S ZINC000045394130 175376108 /nfs/dbraw/zinc/37/61/08/175376108.db2.gz WHKAPVRJPUGUNT-UHFFFAOYSA-N 0 0 286.327 4.977 1 0 CJAFRN CCC[C@H](O)CCCCCCCCCCCCCO ZINC000045496441 521179985 /nfs/dbraw/zinc/17/99/85/521179985.db2.gz LVOWTTRTDYAFAN-KRWDZBQOSA-N 0 0 272.473 4.821 1 0 CJAFRN O=C(Nc1ccccc1)Oc1cccc(-c2ccccc2)c1 ZINC000045498560 527395065 /nfs/dbraw/zinc/39/50/65/527395065.db2.gz DKEGWVCCNFYZEE-UHFFFAOYSA-N 0 0 289.334 4.965 1 0 in-vivo CJAFRN Cc1cc2c(cc1C)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2 ZINC000049013869 525604865 /nfs/dbraw/zinc/60/48/65/525604865.db2.gz VTPKJNUESARTJM-VDGAXYAQSA-N 0 0 293.410 4.938 1 0 CJAFRN Cc1c2cc(Cl)ccc2sc1-c1ccnc(N)c1 ZINC000049047863 525953808 /nfs/dbraw/zinc/95/38/08/525953808.db2.gz WEBLNFBGYPOHIG-UHFFFAOYSA-N 0 0 274.776 4.507 1 0 CJAFRN CCCCCC(=O)CCCCCCc1ccc(O)c(C)n1 ZINC000049048033 290878787 /nfs/dbraw/zinc/87/87/87/290878787.db2.gz PNDONWACGNWBOR-UHFFFAOYSA-N 0 0 291.435 4.738 1 0 biogenic,in-vitro CJAFRN CC1=CCCC(C)(C)[C@@H]1/C=C/[C@@](C)(O)c1ccsc1 ZINC000049054012 520854968 /nfs/dbraw/zinc/85/49/68/520854968.db2.gz KDCJSWWEOMMHQM-KHWCHDCRSA-N 0 0 276.445 4.894 1 0 CJAFRN Fc1ccc(-c2nc(-c3c[nH]c4ccccc34)co2)cc1 ZINC000049054696 526315600 /nfs/dbraw/zinc/31/56/00/526315600.db2.gz GESXHQAEKWYPCW-UHFFFAOYSA-N 0 0 278.286 4.629 1 0 CJAFRN Oc1cccc(-c2cncc(-c3ccc(Cl)s3)c2)c1 ZINC000049070191 526355930 /nfs/dbraw/zinc/35/59/30/526355930.db2.gz ZSRBPOPJJOTPGO-UHFFFAOYSA-N 0 0 287.771 4.836 1 0 CJAFRN CC1=CCCC(C)(C)[C@@H]1/C=C/[C@](C)(O)c1ccccc1 ZINC000049071000 520855008 /nfs/dbraw/zinc/85/50/08/520855008.db2.gz NCSLHEUBVYHIGA-ZVZPZUJUSA-N 0 0 270.416 4.833 1 0 CJAFRN CC1=CCCC(C)(C)[C@@H]1/C=C/[C@@](C)(O)c1ccccc1 ZINC000049071004 520854475 /nfs/dbraw/zinc/85/44/75/520854475.db2.gz NCSLHEUBVYHIGA-DOFQKKIESA-N 0 0 270.416 4.833 1 0 CJAFRN C(=C/c1ccccc1)\c1nc(-c2c[nH]c3ccccc23)co1 ZINC000049110132 518372692 /nfs/dbraw/zinc/37/26/92/518372692.db2.gz SZWRWDVLMUEXGK-ZHACJKMWSA-N 0 0 286.334 4.993 1 0 CJAFRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(Cl)c1 ZINC000049112198 519803237 /nfs/dbraw/zinc/80/32/37/519803237.db2.gz WXODRNGKTKTVGW-UHOFOFEASA-N 0 0 293.838 4.531 1 0 CJAFRN CC(=O)c1ccc(-c2ccc(-c3cccc(O)c3)cc2)s1 ZINC000049112415 518294292 /nfs/dbraw/zinc/29/42/92/518294292.db2.gz MSSQWFIJXYZUCP-UHFFFAOYSA-N 0 0 294.375 4.990 1 0 CJAFRN O=C1Cc2cc(Nc3ccccc3)ccc2Cc2ccccc21 ZINC000049112950 527036985 /nfs/dbraw/zinc/03/69/85/527036985.db2.gz JQCCMXDQOZOGCU-UHFFFAOYSA-N 0 0 299.373 4.760 1 0 CJAFRN CCCCCC[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1 ZINC000049115733 520123307 /nfs/dbraw/zinc/12/33/07/520123307.db2.gz NCAKIOPOAXPXTE-CQSZACIVSA-N 0 0 281.783 4.636 1 0 CJAFRN CCCCCC[C@H]1CN(c2cccc(Cl)c2)C(=O)O1 ZINC000049115737 520134412 /nfs/dbraw/zinc/13/44/12/520134412.db2.gz NCAKIOPOAXPXTE-AWEZNQCLSA-N 0 0 281.783 4.636 1 0 CJAFRN Oc1cccc(-c2cccc(-c3cccs3)c2)c1 ZINC000049784039 526356616 /nfs/dbraw/zinc/35/66/16/526356616.db2.gz DOLIUMJCGMDTBH-UHFFFAOYSA-N 0 0 252.338 4.788 1 0 CJAFRN Oc1cccc(-c2ccc(-c3cccs3)cc2)c1 ZINC000049784111 526356384 /nfs/dbraw/zinc/35/63/84/526356384.db2.gz MLANZYKXBYVYRF-UHFFFAOYSA-N 0 0 252.338 4.788 1 0 CJAFRN Fc1ccc(-n2ncc3cc(-c4ccccc4)ccc32)cc1 ZINC000049785455 526321602 /nfs/dbraw/zinc/32/16/02/526321602.db2.gz CYDLCUXCVZSTJQ-UHFFFAOYSA-N 0 0 288.325 4.832 1 0 CJAFRN Oc1cc([C@@H]2C=CCCC2)c(O)cc1[C@@H]1C=CCCC1 ZINC000049803329 526334891 /nfs/dbraw/zinc/33/48/91/526334891.db2.gz ZYODHFUBQWAABJ-ZIAGYGMSSA-N 0 0 270.372 4.745 1 0 CJAFRN CC[C@H](c1ccncc1)c1ccc(-c2cccc(O)c2)cc1 ZINC000053242805 522978684 /nfs/dbraw/zinc/97/86/84/522978684.db2.gz CANWOPWELBFZMH-FQEVSTJZSA-N 0 0 289.378 4.996 1 0 in-vivo CJAFRN CC(=O)CC/C=C(\C)CCC/C(C)=C/[C@H](O)CC(C)C ZINC000053276475 519386163 /nfs/dbraw/zinc/38/61/63/519386163.db2.gz SKAGYYFYOGJRJI-MESSSBPMSA-N 0 0 280.452 4.826 1 0 CJAFRN CCOc1c(C)cc2c(c1C)CCC1(CCCCC1)N2 ZINC000055646825 520593019 /nfs/dbraw/zinc/59/30/19/520593019.db2.gz MMUARUHBRZWQSM-UHFFFAOYSA-N 0 0 273.420 4.763 1 0 CJAFRN CCCOc1ccc(C2=CSc3ccccc3N2C)cc1 ZINC000055723046 520339787 /nfs/dbraw/zinc/33/97/87/520339787.db2.gz GBAKKVOFDDDBSJ-UHFFFAOYSA-N 0 0 297.423 4.506 1 0 CJAFRN CC(C)c1ccc2oc(C3CCCC3)cc(=O)c2c1 ZINC000058583024 519840730 /nfs/dbraw/zinc/84/07/30/519840730.db2.gz HRTZUNXLTMBNRN-UHFFFAOYSA-N 0 0 256.345 4.574 1 0 CJAFRN COc1ccccc1-c1cc(=O)c2cc(C(C)C)ccc2o1 ZINC000058591146 524266499 /nfs/dbraw/zinc/26/64/99/524266499.db2.gz XDKIKARPPWBHHB-UHFFFAOYSA-N 0 0 294.350 4.592 1 0 CJAFRN C[C@@]12C=Cc3occc3[C@H]1CC[C@@]13CC(=O)[C@@H](C1)CC[C@H]32 ZINC000058622168 525909657 /nfs/dbraw/zinc/90/96/57/525909657.db2.gz ZUHATORLUREVSD-MMSQRJJHSA-N 0 0 282.383 4.566 1 0 CJAFRN Cc1ccc(C(c2ccc(C)o2)c2ccc(F)cc2)o1 ZINC000059285060 526255477 /nfs/dbraw/zinc/25/54/77/526255477.db2.gz AGXPKCHEHYDYAH-UHFFFAOYSA-N 0 0 270.303 4.809 1 0 CJAFRN Cc1ccc(NCc2ccc(-c3ccc(F)cc3)nc2)cc1 ZINC000063539514 525284115 /nfs/dbraw/zinc/28/41/15/525284115.db2.gz TUDIKYFSCUIAIT-UHFFFAOYSA-N 0 0 292.357 4.808 1 0 CJAFRN CNc1ccc(/C=C/c2ccc(Br)cc2)cc1 ZINC000064447487 522578177 /nfs/dbraw/zinc/57/81/77/522578177.db2.gz QTQLFLKBCFUOSB-NSCUHMNNSA-N 0 0 288.188 4.661 1 0 CJAFRN Cc1cccc(Nc2nnc(-c3ccccc3)s2)c1C ZINC000064453534 524699476 /nfs/dbraw/zinc/69/94/76/524699476.db2.gz IODHNCYHJCBNPJ-UHFFFAOYSA-N 0 0 281.384 4.566 1 0 CJAFRN COc1ccc(-c2cccc(Cl)c2)c2c1C(C)=N[C@H](C)C2 ZINC000064454456 523139021 /nfs/dbraw/zinc/13/90/21/523139021.db2.gz OALJHNUDDSNUDT-LLVKDONJSA-N 0 0 299.801 4.769 1 0 CJAFRN Cc1ccccc1NC(=O)/C=C/C1=Cc2ccccc2CC1 ZINC000064475292 525226298 /nfs/dbraw/zinc/22/62/98/525226298.db2.gz BOIXNYIZIAYBRD-ACCUITESSA-N 0 0 289.378 4.520 1 0 CJAFRN Cc1ccc(-c2nc3ccc(Cl)cc3c(=S)[nH]2)cc1 ZINC000064499309 525819089 /nfs/dbraw/zinc/81/90/89/525819089.db2.gz JREOBWJMPMKWQP-UHFFFAOYSA-N 0 0 286.787 4.547 1 0 CJAFRN Clc1ccc2c(c1)C=C(/C=C/c1ccccc1)CO2 ZINC000064499453 526964195 /nfs/dbraw/zinc/96/41/95/526964195.db2.gz ROQGANQKMVOKKY-VOTSOKGWSA-N 0 0 268.743 4.829 1 0 CJAFRN Cc1cc(/C=C2/C(=O)Nc3ccccc32)c2cccccc1-2 ZINC000064539555 526088745 /nfs/dbraw/zinc/08/87/45/526088745.db2.gz VPBCZAHOASOEIJ-LDADJPATSA-N 0 0 285.346 4.593 1 0 CJAFRN c1ccc(CNc2ccnc3oc4ccccc4c32)cc1 ZINC000064540217 526472899 /nfs/dbraw/zinc/47/28/99/526472899.db2.gz UHJXGMZSUQNCOU-UHFFFAOYSA-N 0 0 274.323 4.593 1 0 CJAFRN COc1c2cc(Cl)ccc2nc(C)c1-c1ccccc1 ZINC000064540320 521890827 /nfs/dbraw/zinc/89/08/27/521890827.db2.gz NNMITZOXJFBZGC-UHFFFAOYSA-N 0 0 283.758 4.872 1 0 CJAFRN COc1cccc2oc3ccc4c(c3c21)C=CC(C)(C)O4 ZINC000066058806 524261303 /nfs/dbraw/zinc/26/13/03/524261303.db2.gz GLWYYHXPCOPLSJ-UHFFFAOYSA-N 0 0 280.323 4.779 1 0 CJAFRN Cc1cc(C2=C(c3ccccc3)C[C@H]3CC[C@@H]2S3)on1 ZINC000066099433 524604947 /nfs/dbraw/zinc/60/49/47/524604947.db2.gz DNNGDLSNRHAHQR-CJNGLKHVSA-N 0 0 283.396 4.562 1 0 CJAFRN Cc1cc(C2=C(c3ccccc3)C[C@@H]3CC[C@H]2S3)on1 ZINC000066099435 524604907 /nfs/dbraw/zinc/60/49/07/524604907.db2.gz DNNGDLSNRHAHQR-XJKSGUPXSA-N 0 0 283.396 4.562 1 0 CJAFRN Cc1cc([C@@H]2[C@@H]3CC[C@H](C[C@H]2c2ccccc2)S3)on1 ZINC000066111998 525499930 /nfs/dbraw/zinc/49/99/30/525499930.db2.gz FXYSWUQDXHEYNK-YQFWSFKMSA-N 0 0 285.412 4.518 1 0 CJAFRN Cc1cc([C@@H]2[C@H]3CC[C@@H](C[C@H]2c2ccccc2)S3)on1 ZINC000066111999 525499984 /nfs/dbraw/zinc/49/99/84/525499984.db2.gz FXYSWUQDXHEYNK-XJNFMUPTSA-N 0 0 285.412 4.518 1 0 CJAFRN COc1ccc2oc3ccc4c(c3c2c1)C=CC(C)(C)O4 ZINC000066259465 525692684 /nfs/dbraw/zinc/69/26/84/525692684.db2.gz BOVVQOVYGYSMSJ-UHFFFAOYSA-N 0 0 280.323 4.779 1 0 CJAFRN COc1ccc2oc3cc4c(cc3c2c1)OC(C)(C)C=C4 ZINC000066259466 525691952 /nfs/dbraw/zinc/69/19/52/525691952.db2.gz ORFSHMKJOJNRFO-UHFFFAOYSA-N 0 0 280.323 4.779 1 0 CJAFRN Brc1cccc(Nc2ccc3ccccc3n2)c1 ZINC000066259790 518222238 /nfs/dbraw/zinc/22/22/38/518222238.db2.gz FZDRVZPYMDQMCL-UHFFFAOYSA-N 0 0 299.171 4.741 1 0 CJAFRN CC(C)=CCC/C(C)=C/Oc1ccc2ccc(=O)oc2c1 ZINC000069481977 290878251 /nfs/dbraw/zinc/87/82/51/290878251.db2.gz IRMHIHVKFIORQZ-WYMLVPIESA-N 0 0 284.355 4.822 1 0 biogenic,in-vitro CJAFRN COc1cc2c(cc1C)C(=O)C[C@H]1[C@@H](CCCC1(C)C)C2 ZINC000069482352 290879176 /nfs/dbraw/zinc/87/91/76/290879176.db2.gz YGHHDOHBMJZCSO-BBRMVZONSA-N 0 0 286.415 4.575 1 0 biogenic,in-vitro CJAFRN CCCCCCC(=O)CCCCCCC[C@H]1CCC(=O)O1 ZINC000070455490 290878786 /nfs/dbraw/zinc/87/87/86/290878786.db2.gz GXAQLKLMIQWKNL-KRWDZBQOSA-N 0 0 296.451 4.962 1 0 biogenic,in-vitro CJAFRN COc1ccccc1-c1[nH]c(Cl)c(Cl)c1Cl ZINC000071294597 176112049 /nfs/dbraw/zinc/11/20/49/176112049.db2.gz OGECRGGAYWTHLI-UHFFFAOYSA-N 0 0 276.550 4.651 1 0 CJAFRN c1cc2c([nH]1)c(-c1c[nH]c3ccccc31)nc1ccccc21 ZINC000071296196 176112055 /nfs/dbraw/zinc/11/20/55/176112055.db2.gz UQYYXZNJDIWWEW-UHFFFAOYSA-N 0 0 283.334 4.864 1 0 CJAFRN O=c1cc(NC2CCCCC2)cc(/C=C/c2ccccc2)o1 ZINC000071316316 176122017 /nfs/dbraw/zinc/12/20/17/176122017.db2.gz AIMGABDERFBOQI-VAWYXSNFSA-N 0 0 295.382 4.555 1 0 CJAFRN CCCCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000071316490 176122165 /nfs/dbraw/zinc/12/21/65/176122165.db2.gz ULGOQKBTOWNYOS-UHFFFAOYSA-N 0 0 294.354 4.624 1 0 CJAFRN Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000071317927 176122102 /nfs/dbraw/zinc/12/21/02/176122102.db2.gz MNYZWYPDWUEXMB-UHFFFAOYSA-N 0 0 255.748 4.651 1 0 CJAFRN CC(=O)c1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000071319411 176122270 /nfs/dbraw/zinc/12/22/70/176122270.db2.gz WWXMEBXPRAOCKT-UHFFFAOYSA-N 0 0 283.758 4.546 1 0 CJAFRN CCC(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000071330216 176124157 /nfs/dbraw/zinc/12/41/57/176124157.db2.gz RMHXASIQBPCMJO-UHFFFAOYSA-N 0 0 285.730 4.741 1 0 CJAFRN Cc1cccc(C)c1NC(=O)c1ccc(-c2ccsc2)o1 ZINC000071332424 176125620 /nfs/dbraw/zinc/12/56/20/176125620.db2.gz KYYZTQRVYLCUNP-UHFFFAOYSA-N 0 0 297.379 4.877 1 0 CJAFRN Cc1ccc(C(=O)c2c(N)sc3c2CCCCCC3)cc1 ZINC000071341215 176130671 /nfs/dbraw/zinc/13/06/71/176130671.db2.gz ZQKOXWOWDASRKC-UHFFFAOYSA-N 0 0 299.439 4.529 1 0 CJAFRN c1ccc(N2Cc3ccccc3OCc3ccccc32)cc1 ZINC000071418533 176160420 /nfs/dbraw/zinc/16/04/20/176160420.db2.gz HAGSEQHJPIUYLA-UHFFFAOYSA-N 0 0 287.362 4.917 1 0 CJAFRN Clc1ccc([C@@H](c2cccs2)c2cccnc2)cc1 ZINC000072101396 176315801 /nfs/dbraw/zinc/31/58/01/176315801.db2.gz DTMNXKRUTRULQG-MRXNPFEDSA-N 0 0 285.799 4.977 1 0 CJAFRN Clc1ccc([C@H](c2cccs2)c2cccnc2)cc1 ZINC000072101397 176315684 /nfs/dbraw/zinc/31/56/84/176315684.db2.gz DTMNXKRUTRULQG-INIZCTEOSA-N 0 0 285.799 4.977 1 0 CJAFRN CC(C)C[C@H](Nc1cccnc1)c1ccc(Cl)cc1 ZINC000072101539 176315687 /nfs/dbraw/zinc/31/56/87/176315687.db2.gz SJIVKALRPVPGPU-INIZCTEOSA-N 0 0 274.795 4.934 1 0 CJAFRN CC(C)C[C@@H](Nc1cccnc1)c1ccc(Cl)cc1 ZINC000072101540 176315946 /nfs/dbraw/zinc/31/59/46/176315946.db2.gz SJIVKALRPVPGPU-MRXNPFEDSA-N 0 0 274.795 4.934 1 0 CJAFRN Cc1ccc(-c2nc(CNc3ccccc3C)co2)cc1 ZINC000072102519 176316009 /nfs/dbraw/zinc/31/60/09/176316009.db2.gz AJMRBFGVAODNBE-UHFFFAOYSA-N 0 0 278.355 4.571 1 0 CJAFRN CCCCO[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000072103541 176316149 /nfs/dbraw/zinc/31/61/49/176316149.db2.gz JZKBXNANEZSAFK-INIZCTEOSA-N 0 0 275.779 4.641 1 0 CJAFRN CCCCO[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000072103542 176315709 /nfs/dbraw/zinc/31/57/09/176315709.db2.gz JZKBXNANEZSAFK-MRXNPFEDSA-N 0 0 275.779 4.641 1 0 CJAFRN Fc1ccc2c(/C=C/c3cccc(F)c3)c[nH]c2c1 ZINC000072105939 176316551 /nfs/dbraw/zinc/31/65/51/176316551.db2.gz OJNMTMUXTRGJMA-SNAWJCMRSA-N 0 0 255.267 4.617 1 0 CJAFRN CCCOc1ccc(-c2cc(OC)c3ccccc3n2)cc1 ZINC000072106264 176316170 /nfs/dbraw/zinc/31/61/70/176316170.db2.gz ZNEMOMJMGFIEHH-UHFFFAOYSA-N 0 0 293.366 4.699 1 0 CJAFRN C(=C/c1cccnc1)\c1c[nH]c2c1ccc1ccccc21 ZINC000072106589 176316452 /nfs/dbraw/zinc/31/64/52/176316452.db2.gz CRYSJIDOTMSTFA-BQYQJAHWSA-N 0 0 270.335 4.887 1 0 CJAFRN Clc1ccc(-c2c[nH]c(NC3CCCC3)n2)cc1Cl ZINC000072106665 176316227 /nfs/dbraw/zinc/31/62/27/176316227.db2.gz CJFDFPIZFLPMDM-UHFFFAOYSA-N 0 0 296.201 4.738 1 0 CJAFRN CC(C)c1cc(C(=O)Nc2ccccc2)c(O)c(C(C)C)c1 ZINC000072108932 176316940 /nfs/dbraw/zinc/31/69/40/176316940.db2.gz XQGPSGSQUDIIES-UHFFFAOYSA-N 0 0 297.398 4.891 1 0 CJAFRN c1ccc(-c2nc3cc4c5c(cccc5c3o2)CCO4)cc1 ZINC000072110266 176317363 /nfs/dbraw/zinc/31/73/63/176317363.db2.gz IPNWAQLNDHRWON-UHFFFAOYSA-N 0 0 287.318 4.583 1 0 CJAFRN Cc1cccc(NCCC2(c3ccccc3)CCOCC2)c1 ZINC000072112489 176317842 /nfs/dbraw/zinc/31/78/42/176317842.db2.gz AFLFALWKVGMABW-UHFFFAOYSA-N 0 0 295.426 4.545 1 0 CJAFRN CSc1ccc(-c2c[nH]c(NC3CCCCC3)n2)cc1 ZINC000072112495 176317663 /nfs/dbraw/zinc/31/76/63/176317663.db2.gz CBORLNPGYDBXAC-UHFFFAOYSA-N 0 0 287.432 4.543 1 0 CJAFRN O=C(CCCc1ccccc1)n1c2ccccc2oc1=S ZINC000072113186 176317785 /nfs/dbraw/zinc/31/77/85/176317785.db2.gz RNYAXQPKKCKWFE-UHFFFAOYSA-N 0 0 297.379 4.627 1 0 CJAFRN COc1c(C=O)cc2c3ccccc3[nH]c2c1CC=C(C)C ZINC000072113576 176318561 /nfs/dbraw/zinc/31/85/61/176318561.db2.gz DSJBRDUNEIOHQN-UHFFFAOYSA-N 0 0 293.366 4.651 1 0 CJAFRN Cc1ccc2nc(Oc3ccc(Cl)cc3)c(C=O)cc2c1 ZINC000072114602 176318350 /nfs/dbraw/zinc/31/83/50/176318350.db2.gz VBQXHCSHONVHAE-UHFFFAOYSA-N 0 0 297.741 4.801 1 0 CJAFRN O=C(CCC1CCCCC1)n1c2ccccc2oc1=S ZINC000072116223 176318728 /nfs/dbraw/zinc/31/87/28/176318728.db2.gz QSEIPYOLPGGASQ-UHFFFAOYSA-N 0 0 289.400 4.964 1 0 CJAFRN Cc1ccc(NC(=O)NC2CCCCCCC2)cc1Cl ZINC000072116965 176318924 /nfs/dbraw/zinc/31/89/24/176318924.db2.gz DHZVTSNKLYUMMR-UHFFFAOYSA-N 0 0 294.826 4.883 1 0 CJAFRN O=C(/C=C/c1ccccc1)n1ccc2cc(Cl)ccc21 ZINC000072118650 176319273 /nfs/dbraw/zinc/31/92/73/176319273.db2.gz NFMCXBRICNTNAQ-RMKNXTFCSA-N 0 0 281.742 4.648 1 0 CJAFRN CCCc1ccccc1-c1nc(/C=C/c2ccccc2)no1 ZINC000072121337 176320018 /nfs/dbraw/zinc/32/00/18/176320018.db2.gz ZOODINRYWCIJBP-BUHFOSPRSA-N 0 0 290.366 4.860 1 0 CJAFRN Cc1ccccc1CSc1ccc(-c2ccccn2)cn1 ZINC000072125950 176320529 /nfs/dbraw/zinc/32/05/29/176320529.db2.gz KLMBQFCAQVWNGG-UHFFFAOYSA-N 0 0 292.407 4.744 1 0 CJAFRN O=c1ccc2cc(-c3cccc(-c4cccnc4)c3)ccc2o1 ZINC000072128584 176321302 /nfs/dbraw/zinc/32/13/02/176321302.db2.gz GDPCHLIOUYQQSO-UHFFFAOYSA-N 0 0 299.329 4.522 1 0 CJAFRN Cn1ccc2c1c1c(cc2N2CCCCCC2)[C@H]2CC[C@@H]1C2 ZINC000072136350 176322275 /nfs/dbraw/zinc/32/22/75/176322275.db2.gz MFCAQNIOPITHCW-LSDHHAIUSA-N 0 0 294.442 4.923 1 0 CJAFRN Cn1ccc2c1c1c(cc2N2CCCCCC2)[C@@H]2CC[C@H]1C2 ZINC000072136351 176322404 /nfs/dbraw/zinc/32/24/04/176322404.db2.gz MFCAQNIOPITHCW-CABCVRRESA-N 0 0 294.442 4.923 1 0 CJAFRN CCc1ccc(-c2nc(/C=C/c3ccc(F)cc3)no2)cc1 ZINC000072136666 176322439 /nfs/dbraw/zinc/32/24/39/176322439.db2.gz GOYZURAYKXYTMS-KPKJPENVSA-N 0 0 294.329 4.609 1 0 CJAFRN Cc1[nH]c2ccccc2c1/C=C/c1cnc2ccccc2n1 ZINC000072136855 176322153 /nfs/dbraw/zinc/32/21/53/176322153.db2.gz OOQGHRXGNJBVBV-ZHACJKMWSA-N 0 0 285.350 4.590 1 0 CJAFRN Cc1cccc2c1/C(=C/c1c[nH]c3ccccc13)C=N2 ZINC000072137475 176322921 /nfs/dbraw/zinc/32/29/21/176322921.db2.gz SSUSRDNOIZRERP-NTEUORMPSA-N 0 0 258.324 4.733 1 0 CJAFRN O=C(/C=C/C=C/c1ccccc1)Nc1cccc(Cl)c1 ZINC000072142876 176324269 /nfs/dbraw/zinc/32/42/69/176324269.db2.gz UBDLGXNRPRGOOA-XFRMRLMGSA-N 0 0 283.758 4.548 1 0 CJAFRN CCCCc1ccc(-c2nc(C)c(C(C)=O)s2)cc1 ZINC000072170699 176332825 /nfs/dbraw/zinc/33/28/25/176332825.db2.gz PZLAEDBOESDYLQ-UHFFFAOYSA-N 0 0 273.401 4.664 1 0 CJAFRN Cc1ccccc1CNc1cc2c(cn1)[nH]c1ccccc12 ZINC000072175402 176334361 /nfs/dbraw/zinc/33/43/61/176334361.db2.gz BKWWQRJEGUKPTR-UHFFFAOYSA-N 0 0 287.366 4.637 1 0 CJAFRN Cc1cccc(CNc2nccc3c4ccccc4[nH]c32)c1 ZINC000072176025 176334271 /nfs/dbraw/zinc/33/42/71/176334271.db2.gz IKPQPHRJTSWSRY-UHFFFAOYSA-N 0 0 287.366 4.637 1 0 CJAFRN Cc1ccc(CNc2nccc3c4ccccc4[nH]c32)cc1 ZINC000072176686 176334019 /nfs/dbraw/zinc/33/40/19/176334019.db2.gz MZJMXRVALQPDRI-UHFFFAOYSA-N 0 0 287.366 4.637 1 0 CJAFRN Cc1ccccc1CNc1nccc2c3ccccc3[nH]c21 ZINC000072176776 176334363 /nfs/dbraw/zinc/33/43/63/176334363.db2.gz DVAOKZYYZGAZCF-UHFFFAOYSA-N 0 0 287.366 4.637 1 0 CJAFRN Cc1cccc(CNc2cc3c(cn2)[nH]c2ccccc23)c1 ZINC000072177338 176334260 /nfs/dbraw/zinc/33/42/60/176334260.db2.gz WKNRPFDGPVSQRY-UHFFFAOYSA-N 0 0 287.366 4.637 1 0 CJAFRN Cc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1 ZINC000072177339 176334352 /nfs/dbraw/zinc/33/43/52/176334352.db2.gz QOKOYRIYACUDGV-UHFFFAOYSA-N 0 0 287.366 4.637 1 0 CJAFRN CCCc1cc(-c2nc(-c3ccccc3O)cs2)ccn1 ZINC000072177355 176334060 /nfs/dbraw/zinc/33/40/60/176334060.db2.gz NJCQOVROHVLZKB-UHFFFAOYSA-N 0 0 296.395 4.530 1 0 CJAFRN CCCc1cc(-c2nc(-c3ccc(O)cc3)cs2)ccn1 ZINC000072177870 176334115 /nfs/dbraw/zinc/33/41/15/176334115.db2.gz UBVHKWIDYFYLLR-UHFFFAOYSA-N 0 0 296.395 4.530 1 0 CJAFRN CCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1 ZINC000072180455 176334576 /nfs/dbraw/zinc/33/45/76/176334576.db2.gz WAUMGXOXXFKMTR-UHFFFAOYSA-N 0 0 280.396 4.743 1 0 CJAFRN Clc1ccc(-c2nc(CNc3ccccc3)co2)cc1 ZINC000072180520 176334455 /nfs/dbraw/zinc/33/44/55/176334455.db2.gz XEDWFYAXSXUTNR-UHFFFAOYSA-N 0 0 284.746 4.607 1 0 CJAFRN CCCCc1ccc(-c2nc(C(C)(C)C)co2)cc1 ZINC000072180912 176334561 /nfs/dbraw/zinc/33/45/61/176334561.db2.gz TZWAMOHITDEOQI-UHFFFAOYSA-N 0 0 257.377 4.982 1 0 CJAFRN CCCc1cc(-c2nc(-c3cccc(O)c3)cs2)ccn1 ZINC000072181904 176335100 /nfs/dbraw/zinc/33/51/00/176335100.db2.gz HFSRZCFVFOUVKU-UHFFFAOYSA-N 0 0 296.395 4.530 1 0 CJAFRN CCN(Cc1coc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000072183468 176335268 /nfs/dbraw/zinc/33/52/68/176335268.db2.gz OWMJPZWTCIVAKZ-UHFFFAOYSA-N 0 0 296.345 4.507 1 0 CJAFRN CCCCc1ccc(-c2nc(C(F)(F)F)co2)cc1 ZINC000072186587 176335808 /nfs/dbraw/zinc/33/58/08/176335808.db2.gz UACPDWURXGQEFS-UHFFFAOYSA-N 0 0 269.266 4.703 1 0 CJAFRN CCC/C=C(\c1ccc(Cl)cc1)c1cccnc1 ZINC000072186630 176335747 /nfs/dbraw/zinc/33/57/47/176335747.db2.gz ZMPYYOWITQIYDF-OMCISZLKSA-N 0 0 257.764 4.967 1 0 CJAFRN CCC/C=C(/c1ccc(Cl)cc1)c1cccnc1 ZINC000073413531 176471124 /nfs/dbraw/zinc/47/11/24/176471124.db2.gz ZMPYYOWITQIYDF-SOFYXZRVSA-N 0 0 257.764 4.967 1 0 CJAFRN CCCCC1CCC(c2nc3cc(F)cnc3[nH]2)CC1 ZINC000074327117 176528353 /nfs/dbraw/zinc/52/83/53/176528353.db2.gz XKQDPXZGIPKTJF-UHFFFAOYSA-N 0 0 275.371 4.561 1 0 CJAFRN O=C1CCC2(CCCCC2)c2sc(-c3ccncc3)cc21 ZINC000084634456 178907315 /nfs/dbraw/zinc/90/73/15/178907315.db2.gz WPADQSHTSUGGIR-UHFFFAOYSA-N 0 0 297.423 4.989 1 0 CJAFRN CCCc1ccc2c(ccc(OC(=O)N(C)C)c2Cl)c1 ZINC000084687417 178914736 /nfs/dbraw/zinc/91/47/36/178914736.db2.gz ZTENGLLBTHEIKA-UHFFFAOYSA-N 0 0 291.778 4.506 1 0 CJAFRN COc1cc(Cl)ccc1-c1nc2ccc(Cl)cc2o1 ZINC000084730794 178921729 /nfs/dbraw/zinc/92/17/29/178921729.db2.gz ASYGOZHJLQQPTP-UHFFFAOYSA-N 0 0 294.137 4.810 1 0 CJAFRN COc1ccc(Cl)cc1-c1nc2cc(Cl)ccc2o1 ZINC000084741411 178923903 /nfs/dbraw/zinc/92/39/03/178923903.db2.gz IEXJZEUOOJEADK-UHFFFAOYSA-N 0 0 294.137 4.810 1 0 CJAFRN C=C1C=C(CCc2ccc(OC)cc2)Cc2ccc(O)cc21 ZINC000085508670 560074153 /nfs/dbraw/zinc/07/41/53/560074153.db2.gz KULKGOAAWOKKMP-UHFFFAOYSA-N 0 0 292.378 4.529 1 0 biogenic,in-vitro CJAFRN C[C@H]1CC=C[C@@]2(C)[C@H]1C=C(CCCO)[C@H]1CCCC[C@@H]12 ZINC000085543649 290879404 /nfs/dbraw/zinc/87/94/04/290879404.db2.gz ONCDYLRBXSMSDK-YCVVXREPSA-N 0 0 274.448 4.724 1 0 biogenic,in-vitro CJAFRN C[C@@]12CC[C@@H](C3(CCCC3)[C@H]1O)[C@]2(C)C1CCCCC1 ZINC000085545714 290879423 /nfs/dbraw/zinc/87/94/23/290879423.db2.gz GLLUOZRIFYSKOZ-XDNAFOTISA-N 0 0 276.464 4.924 1 0 biogenic,in-vitro CJAFRN C[C@@]12CCC[C@@](O)(C1)[C@@H]1CC3(CCCCC3)[C@@H]1CC2 ZINC000085547663 290879414 /nfs/dbraw/zinc/87/94/14/290879414.db2.gz YLNZOIICDRELJY-XLMAVXFVSA-N 0 0 262.437 4.678 1 0 biogenic,in-vitro CJAFRN C[C@@H](c1ccc(C=O)cc1)[C@H]1CCC2(CCCC2)C1 ZINC000085547993 290879408 /nfs/dbraw/zinc/87/94/08/290879408.db2.gz CRVMRWSYDFPIFU-YOEHRIQHSA-N 0 0 256.389 4.963 1 0 biogenic,in-vitro CJAFRN C=C1C=Cc2c(CC=C(C)C)c3ccoc3c(O)c2O1 ZINC000085633096 290877375 /nfs/dbraw/zinc/87/73/75/290877375.db2.gz VBCDFFLIMQXJBC-UHFFFAOYSA-N 0 0 268.312 4.566 1 0 biogenic,in-vitro CJAFRN CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13CC(=O)[C@H](C1)CC[C@@H]32 ZINC000086048570 290878340 /nfs/dbraw/zinc/87/83/40/290878340.db2.gz JJFSSTSAIZSCOF-GGLGGFLESA-N 0 0 274.448 4.988 1 0 biogenic,in-vitro CJAFRN C/C=C/c1ccc(O)c(-c2cc(CCC)ccc2O)c1 ZINC000095099104 560062681 /nfs/dbraw/zinc/06/26/81/560062681.db2.gz JQBSDWAODKFUQC-HWKANZROSA-N 0 0 268.356 4.750 1 0 biogenic,in-vitro CJAFRN CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)OCCC(=O)CC[C@H]12 ZINC000095486250 290878246 /nfs/dbraw/zinc/87/82/46/290878246.db2.gz YEHFGGBRCFRTRK-KCITZHQASA-N 0 0 292.463 4.757 1 0 biogenic,in-vitro CJAFRN CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)OCC[C@H](O)CC[C@H]12 ZINC000095486252 290878248 /nfs/dbraw/zinc/87/82/48/290878248.db2.gz JWVXQLHHAALCNH-RFXPCRSYSA-N 0 0 294.479 4.549 1 0 biogenic,in-vitro CJAFRN Fc1ccc(Nc2ccc(F)c3ccccc23)cc1 ZINC000095555525 185007974 /nfs/dbraw/zinc/00/79/74/185007974.db2.gz OHBUXXYCMFNBOJ-UHFFFAOYSA-N 0 0 255.267 4.862 1 0 CJAFRN C=C1c2ccccc2C(=O)N(C)c2ccc(C(C)(C)C)cc21 ZINC000095556181 185008072 /nfs/dbraw/zinc/00/80/72/185008072.db2.gz NNOHGGBPJHNYNA-UHFFFAOYSA-N 0 0 291.394 4.636 1 0 CJAFRN Fc1ccc(-c2cc(-c3ccc4[nH]ccc4c3)on2)cc1 ZINC000095559735 185009150 /nfs/dbraw/zinc/00/91/50/185009150.db2.gz WQMZUPIKZJJFAN-UHFFFAOYSA-N 0 0 278.286 4.629 1 0 CJAFRN Oc1cc(O)cc(/C=C/c2ccc(NC3CCCC3)cc2)c1 ZINC000095560540 185009457 /nfs/dbraw/zinc/00/94/57/185009457.db2.gz PDAXOZZZRMQAIT-AATRIKPKSA-N 0 0 295.382 4.623 1 0 CJAFRN Cn1c(-c2cc(-c3ccc(F)cc3)no2)cc2ccccc21 ZINC000095561245 185009243 /nfs/dbraw/zinc/00/92/43/185009243.db2.gz HFQCTCKEBWBCCH-UHFFFAOYSA-N 0 0 292.313 4.639 1 0 CJAFRN c1ccc(-c2nc3c(cccc3NC3CCCC3)[nH]2)cc1 ZINC000095561811 185009002 /nfs/dbraw/zinc/00/90/02/185009002.db2.gz LGSRYOFSTJLCST-UHFFFAOYSA-N 0 0 277.371 4.584 1 0 CJAFRN CC(C)(C)c1ccc(/C=C/c2cc(O)cc(O)c2)cc1 ZINC000095562476 185009331 /nfs/dbraw/zinc/00/93/31/185009331.db2.gz NZKIRBYNYIFAFD-SNAWJCMRSA-N 0 0 268.356 4.566 1 0 CJAFRN C/C=C/c1ccc2oc(-c3ccc(O)cc3)cc2c1 ZINC000095563210 185010174 /nfs/dbraw/zinc/01/01/74/185010174.db2.gz OAMUEWCGJSSPRS-NSCUHMNNSA-N 0 0 250.297 4.839 1 0 in-vitro CJAFRN Fc1cccc(-c2nc(-c3ccccc3)cs2)c1F ZINC000095563503 185010469 /nfs/dbraw/zinc/01/04/69/185010469.db2.gz LKJGVHYLPWXFCX-UHFFFAOYSA-N 0 0 273.307 4.755 1 0 CJAFRN C/C=C/c1ccc2oc(-c3ccc(O)cc3OC)cc2c1 ZINC000095563939 185010400 /nfs/dbraw/zinc/01/04/00/185010400.db2.gz LYELQAFKYBUWAN-ONEGZZNKSA-N 0 0 280.323 4.847 1 0 in-vitro CJAFRN Oc1ccc(-c2ccc(Oc3cccc(O)c3)cc2)cc1 ZINC000095572693 185010746 /nfs/dbraw/zinc/01/07/46/185010746.db2.gz MUMMPBIVLPAZDK-UHFFFAOYSA-N 0 0 278.307 4.557 1 0 CJAFRN Cc1ccc(-c2ccc(Oc3cccc(F)n3)c(O)c2)cc1 ZINC000095572722 185010244 /nfs/dbraw/zinc/01/02/44/185010244.db2.gz LGOGZZGHLJYOKZ-UHFFFAOYSA-N 0 0 295.313 4.694 1 0 CJAFRN Oc1cccc(Oc2ccc(-c3cccc(O)c3)cc2)c1 ZINC000095572918 185010294 /nfs/dbraw/zinc/01/02/94/185010294.db2.gz PPLSZWXOIAHQEE-UHFFFAOYSA-N 0 0 278.307 4.557 1 0 CJAFRN c1cc(-c2c(-c3ccccc3)nc3ccccn32)cs1 ZINC000095574688 185010079 /nfs/dbraw/zinc/01/00/79/185010079.db2.gz ZUOAWCROTAWZIM-UHFFFAOYSA-N 0 0 276.364 4.730 1 0 CJAFRN c1ccc(Nc2ncnc3c4ccccc4sc32)cc1 ZINC000095575396 185011243 /nfs/dbraw/zinc/01/12/43/185011243.db2.gz LTGQZQQOZBAZJZ-UHFFFAOYSA-N 0 0 277.352 4.588 1 0 CJAFRN Cc1cc(Oc2cccc(O)c2)cc(-c2ccccc2)n1 ZINC000095576518 185011284 /nfs/dbraw/zinc/01/12/84/185011284.db2.gz SJHYRSDSTDNDIP-UHFFFAOYSA-N 0 0 277.323 4.555 1 0 in-vitro CJAFRN Cc1c(C)c2c(c(C)c1Cl)NC[C@@H](c1ccccc1)O2 ZINC000095577117 185011291 /nfs/dbraw/zinc/01/12/91/185011291.db2.gz OOZSGNSLNPWYGO-AWEZNQCLSA-N 0 0 287.790 4.811 1 0 CJAFRN Cc1c(C)c2c(c(C)c1Cl)NC[C@H](c1ccccc1)O2 ZINC000095577118 185011368 /nfs/dbraw/zinc/01/13/68/185011368.db2.gz OOZSGNSLNPWYGO-CQSZACIVSA-N 0 0 287.790 4.811 1 0 CJAFRN CCCC[C@H](CC)C[C@]1(CC)C=C(CC)C(=O)O1 ZINC000095577486 185011290 /nfs/dbraw/zinc/01/12/90/185011290.db2.gz ZFTZUZIIFJHHDJ-XJKSGUPXSA-N 0 0 252.398 4.635 1 0 CJAFRN COc1cccc(Oc2cc(C)nc(-c3ccccc3)c2)c1 ZINC000095579299 185011551 /nfs/dbraw/zinc/01/15/51/185011551.db2.gz DCBQPDIKYSSVDF-UHFFFAOYSA-N 0 0 291.350 4.858 1 0 CJAFRN Cc1ccc(-c2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000095579438 185011540 /nfs/dbraw/zinc/01/15/40/185011540.db2.gz ZMMOEXJHLRBWGG-UHFFFAOYSA-N 0 0 284.362 4.977 1 0 CJAFRN Cc1ccccc1Nc1ncnc2c3ccccc3sc21 ZINC000095579489 185011398 /nfs/dbraw/zinc/01/13/98/185011398.db2.gz HHRHWVWSNLJVDO-UHFFFAOYSA-N 0 0 291.379 4.897 1 0 CJAFRN c1ccc(C[C@H]2CC(c3ccc4ccccc4c3)=NO2)cc1 ZINC000095582211 185011018 /nfs/dbraw/zinc/01/10/18/185011018.db2.gz WDGWULAODUCZPZ-IBGZPJMESA-N 0 0 287.362 4.576 1 0 CJAFRN c1ccc(C[C@@H]2CC(c3ccc4ccccc4c3)=NO2)cc1 ZINC000095582555 185013264 /nfs/dbraw/zinc/01/32/64/185013264.db2.gz WDGWULAODUCZPZ-LJQANCHMSA-N 0 0 287.362 4.576 1 0 CJAFRN c1ccc(C[C@H]2CC(c3cccc4ccccc43)=NO2)cc1 ZINC000095582941 185012765 /nfs/dbraw/zinc/01/27/65/185012765.db2.gz DWCIROGGKBUHTA-KRWDZBQOSA-N 0 0 287.362 4.576 1 0 CJAFRN c1ccc(C[C@@H]2CC(c3cccc4ccccc43)=NO2)cc1 ZINC000095585325 185012042 /nfs/dbraw/zinc/01/20/42/185012042.db2.gz DWCIROGGKBUHTA-QGZVFWFLSA-N 0 0 287.362 4.576 1 0 CJAFRN CCc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1 ZINC000095585374 185012744 /nfs/dbraw/zinc/01/27/44/185012744.db2.gz MZEHOLWKLPPFPK-KRWDZBQOSA-N 0 0 299.801 4.638 1 0 CJAFRN CCc1ccc(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)cc1 ZINC000095585812 185013350 /nfs/dbraw/zinc/01/33/50/185013350.db2.gz MZEHOLWKLPPFPK-QGZVFWFLSA-N 0 0 299.801 4.638 1 0 CJAFRN Oc1cccn(Cc2ccc(-c3ccccc3)cc2)c1=S ZINC000095586792 185012299 /nfs/dbraw/zinc/01/22/99/185012299.db2.gz QAQHTIZBMUQYEL-UHFFFAOYSA-N 0 0 293.391 4.638 1 0 CJAFRN Cc1cc(O)ccc1-c1cocc1-c1ccc(O)cc1C ZINC000095588404 185013103 /nfs/dbraw/zinc/01/31/03/185013103.db2.gz WGXQWLJYBOWUIR-UHFFFAOYSA-N 0 0 280.323 4.642 1 0 CJAFRN CCCOc1cc(C)cc(Oc2cc(C)cc(O)c2)c1 ZINC000095589882 185014249 /nfs/dbraw/zinc/01/42/49/185014249.db2.gz DWHQJDOAZAHZBC-UHFFFAOYSA-N 0 0 272.344 4.590 1 0 CJAFRN CC1(C)C=Cc2cc3cc(-c4ccc(O)cc4)oc3cc2O1 ZINC000095589896 185014393 /nfs/dbraw/zinc/01/43/93/185014393.db2.gz GQRJEBZESAXFAK-UHFFFAOYSA-N 0 0 292.334 4.990 1 0 CJAFRN c1ccc2c(c1)N[C@H](C1CCCCC1)[C@@H]1CCCO[C@H]21 ZINC000095590021 185014369 /nfs/dbraw/zinc/01/43/69/185014369.db2.gz XKVXZBJZZGVSFT-CGTJXYLNSA-N 0 0 271.404 4.529 1 0 CJAFRN Cc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2C)o1 ZINC000095591111 185014682 /nfs/dbraw/zinc/01/46/82/185014682.db2.gz CHBFJOQURYCDFQ-UHFFFAOYSA-N 0 0 280.323 4.642 1 0 CJAFRN Cc1cc(-c2ccc(O)cc2)sc1-c1ccc(O)cc1 ZINC000095592011 185014270 /nfs/dbraw/zinc/01/42/70/185014270.db2.gz BHMXTAGWVKFVFC-UHFFFAOYSA-N 0 0 282.364 4.802 1 0 CJAFRN Cc1nccn1[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000095592940 185013924 /nfs/dbraw/zinc/01/39/24/185013924.db2.gz ZYEXBFPXGDHSSB-IBGZPJMESA-N 0 0 288.350 4.575 1 0 CJAFRN Cc1nccn1[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000095592941 185014132 /nfs/dbraw/zinc/01/41/32/185014132.db2.gz ZYEXBFPXGDHSSB-LJQANCHMSA-N 0 0 288.350 4.575 1 0 CJAFRN CCn1c2cc(OCC(C)C)ccc2c2ccnc(C)c21 ZINC000095595532 185015588 /nfs/dbraw/zinc/01/55/88/185015588.db2.gz QUDVBRBLKVUKOB-UHFFFAOYSA-N 0 0 282.387 4.553 1 0 CJAFRN CCCCCCn1c(=S)[nH]nc1-c1cccc(Cl)c1 ZINC000095595950 185015460 /nfs/dbraw/zinc/01/54/60/185015460.db2.gz NXVBNYCEJOUACC-UHFFFAOYSA-N 0 0 295.839 4.841 1 0 CJAFRN CCCCOc1ccc2c3ccnc(C)c3n(CC)c2c1 ZINC000095596531 185015170 /nfs/dbraw/zinc/01/51/70/185015170.db2.gz LFRZJCLSYGWKAZ-UHFFFAOYSA-N 0 0 282.387 4.697 1 0 CJAFRN Oc1cc(Cl)ccc1Oc1ccc2ccccc2c1 ZINC000095601211 185015325 /nfs/dbraw/zinc/01/53/25/185015325.db2.gz PDNCXSWHFTWSBA-UHFFFAOYSA-N 0 0 270.715 4.991 1 0 CJAFRN Cc1cc2oc(C(=O)NC3CCCCCC3)cc2c(C)c1 ZINC000095602812 185015740 /nfs/dbraw/zinc/01/57/40/185015740.db2.gz CFLHBXHLAYDGGO-UHFFFAOYSA-N 0 0 285.387 4.502 1 0 CJAFRN Cc1cc2oc(C(=O)NC3CCCCCCC3)cc2c(C)c1 ZINC000095602850 185015463 /nfs/dbraw/zinc/01/54/63/185015463.db2.gz XDHVRRLKVIIPMI-UHFFFAOYSA-N 0 0 299.414 4.892 1 0 CJAFRN Cc1cc2[nH]cc(C(=O)NC3CCCCCCC3)c2c(C)c1 ZINC000095603331 185015404 /nfs/dbraw/zinc/01/54/04/185015404.db2.gz AOTIEEFGVZKDOV-UHFFFAOYSA-N 0 0 298.430 4.627 1 0 CJAFRN Cc1cc2[nH]c(C(=O)NC3CCCCCCC3)cc2c(C)c1 ZINC000095604443 185014901 /nfs/dbraw/zinc/01/49/01/185014901.db2.gz YTDHMGDEWFURLB-UHFFFAOYSA-N 0 0 298.430 4.627 1 0 CJAFRN Cn1c(-c2cc(-c3cccc(F)c3)on2)cc2ccccc21 ZINC000095607144 185015081 /nfs/dbraw/zinc/01/50/81/185015081.db2.gz GSRGFPWQKMFXRG-UHFFFAOYSA-N 0 0 292.313 4.639 1 0 CJAFRN Clc1cc2c(s1)CCN(Cc1ccccc1Cl)C2 ZINC000095617646 571795495 /nfs/dbraw/zinc/79/54/95/571795495.db2.gz INYHLAYOOFHUNE-UHFFFAOYSA-N 0 0 298.238 4.613 1 0 endogenous,world CJAFRN CC1=CC[C@@]23C[C@@H]1C[C@@H]2CC[C@H]1C(C)(C)C[C@H](O)C[C@@]13C ZINC000095912243 290878276 /nfs/dbraw/zinc/87/82/76/290878276.db2.gz FKJQVPKQBRWJPK-BUJXUYPKSA-N 0 0 288.475 4.946 1 0 biogenic,in-vitro CJAFRN C[C@]12C[C@]34C[C@H]1[C@H]2C[C@H]3[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC4 ZINC000095919075 290878282 /nfs/dbraw/zinc/87/82/82/290878282.db2.gz JHYUVBXKRVZLON-CSMKTOTHSA-N 0 0 288.475 4.636 1 0 biogenic,in-vitro CJAFRN C[C@]12C[C@]34C[C@H]1[C@H]2C[C@H]3[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC4 ZINC000095919076 290878244 /nfs/dbraw/zinc/87/82/44/290878244.db2.gz DVXUPVLGDAAEFK-JVAXSNDZSA-N 0 0 286.459 4.844 1 0 biogenic,in-vitro CJAFRN C[C@]12C=C[C@@]3(C1)CC[C@H]1[C@](C)(CCC[C@]1(C)CO)[C@H]3CC2 ZINC000096904457 185128595 /nfs/dbraw/zinc/12/85/95/185128595.db2.gz CIGQQQTZOIDQQR-BOQPXBONSA-N 0 0 288.475 4.948 1 0 CJAFRN C[C@]12C=C[C@@]3(C1)CC[C@H]1[C@](C)(CCC[C@]1(C)CO)[C@@H]3CC2 ZINC000096904459 185128132 /nfs/dbraw/zinc/12/81/32/185128132.db2.gz CIGQQQTZOIDQQR-UPQMVPBKSA-N 0 0 288.475 4.948 1 0 CJAFRN Fc1ccc2c(c1)Sc1cc3ccccc3nc1N2 ZINC000096905919 185127325 /nfs/dbraw/zinc/12/73/25/185127325.db2.gz GTQKURZTCRISGI-UHFFFAOYSA-N 0 0 268.316 4.582 1 0 CJAFRN CCC(CC)CSc1nc2ccc(O)cc2s1 ZINC000096907060 185127374 /nfs/dbraw/zinc/12/73/74/185127374.db2.gz QHRHMCINGRZCFR-UHFFFAOYSA-N 0 0 267.419 4.530 1 0 CJAFRN COc1ccc(-c2cc3cc(F)cc(Cl)c3[nH]2)cc1 ZINC000096908479 185128161 /nfs/dbraw/zinc/12/81/61/185128161.db2.gz SXTALUAWMKJXED-UHFFFAOYSA-N 0 0 275.710 4.636 1 0 CJAFRN Cn1c(-c2ccc(NCCCF)cc2)cc2ccccc21 ZINC000096908589 185127760 /nfs/dbraw/zinc/12/77/60/185127760.db2.gz QSGVESHOLSHAMF-UHFFFAOYSA-N 0 0 282.362 4.617 1 0 CJAFRN Cc1onc(-c2cccc(Cl)c2)c1-c1ccccc1 ZINC000096909026 185128054 /nfs/dbraw/zinc/12/80/54/185128054.db2.gz FQTXOEJFNAEMRI-UHFFFAOYSA-N 0 0 269.731 4.970 1 0 CJAFRN Cc1onc(-c2ccccc2Cl)c1-c1ccccc1 ZINC000096909027 185127573 /nfs/dbraw/zinc/12/75/73/185127573.db2.gz YUSDGTLMDWWCOF-UHFFFAOYSA-N 0 0 269.731 4.970 1 0 CJAFRN Cc1onc(-c2ccc(Cl)o2)c1-c1ccccc1F ZINC000096909029 185128193 /nfs/dbraw/zinc/12/81/93/185128193.db2.gz BGOVOFKQWOWYIN-UHFFFAOYSA-N 0 0 277.682 4.703 1 0 CJAFRN Cc1onc(-c2ccc(Cl)o2)c1-c1ccc(F)cc1 ZINC000096909030 185128145 /nfs/dbraw/zinc/12/81/45/185128145.db2.gz HKYOEFBHYOKXNK-UHFFFAOYSA-N 0 0 277.682 4.703 1 0 CJAFRN Cc1cc(C)n(-c2c3ccccc3[nH]c2-c2cccs2)n1 ZINC000096910153 185129247 /nfs/dbraw/zinc/12/92/47/185129247.db2.gz BCTLGPZAODAFST-UHFFFAOYSA-N 0 0 293.395 4.699 1 0 CJAFRN c1ccc(-c2nc3ccc(NC4CCCCC4)nc3o2)cc1 ZINC000096911322 185129414 /nfs/dbraw/zinc/12/94/14/185129414.db2.gz YEVDDJQQSVGUIQ-UHFFFAOYSA-N 0 0 293.370 4.634 1 0 CJAFRN Nc1nc2ccccc2c2cc(CC3CCCCC3)oc21 ZINC000096914091 185129185 /nfs/dbraw/zinc/12/91/85/185129185.db2.gz DIXPIAYWNUKBHL-UHFFFAOYSA-N 0 0 280.371 4.686 1 0 CJAFRN Clc1cccc(Cl)c1/C(c1ccc[nH]1)=C1\C=CC=N1 ZINC000096914201 185128970 /nfs/dbraw/zinc/12/89/70/185128970.db2.gz UTCUCHJZWKZUAI-FYWRMAATSA-N 0 0 289.165 4.722 1 0 CJAFRN CCCCCCc1cc2c(o1)c(N)nc1ccccc21 ZINC000096914612 185129375 /nfs/dbraw/zinc/12/93/75/185129375.db2.gz HFCIYARZLYLPRK-UHFFFAOYSA-N 0 0 268.360 4.686 1 0 CJAFRN c1ccc(-c2cccc(-c3cnc4ccccc4n3)c2)cc1 ZINC000096915128 185129312 /nfs/dbraw/zinc/12/93/12/185129312.db2.gz CQOVQWUQBASBRE-UHFFFAOYSA-N 0 0 282.346 4.964 1 0 CJAFRN CC(C)(C)c1cccc(-c2cnc3ccccc3n2)c1 ZINC000096915130 185129240 /nfs/dbraw/zinc/12/92/40/185129240.db2.gz YKZKPESVLSKTBI-UHFFFAOYSA-N 0 0 262.356 4.594 1 0 CJAFRN CC(C)(C)c1ccc(-c2cnc3ccccc3n2)cc1 ZINC000096915132 185129593 /nfs/dbraw/zinc/12/95/93/185129593.db2.gz FQRQKPUUJRRWDB-UHFFFAOYSA-N 0 0 262.356 4.594 1 0 CJAFRN O=C(CCCCc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000096915442 185128832 /nfs/dbraw/zinc/12/88/32/185128832.db2.gz SFTVOWSLBVCKFI-UHFFFAOYSA-N 0 0 298.226 4.550 1 0 CJAFRN O=C(CCCCc1cccc2ccccc21)C(F)(F)F ZINC000096915466 185129217 /nfs/dbraw/zinc/12/92/17/185129217.db2.gz SQUJFCBTZIUTSS-UHFFFAOYSA-N 0 0 280.289 4.684 1 0 CJAFRN O=C(c1c2ccccc2oc1C1CC1)c1ccccc1 ZINC000096922064 185131009 /nfs/dbraw/zinc/13/10/09/185131009.db2.gz NUHZFBLFOVTGKG-UHFFFAOYSA-N 0 0 262.308 4.541 1 0 CJAFRN O=C(Oc1cccc2oc(C3CC3)cc21)c1ccccc1 ZINC000096922087 185130705 /nfs/dbraw/zinc/13/07/05/185130705.db2.gz ZDLOUOLRNQHIHP-UHFFFAOYSA-N 0 0 278.307 4.529 1 0 CJAFRN CCC(CC)(c1ccc(O)cc1)c1ccc(O)c(C)c1 ZINC000096923026 185130502 /nfs/dbraw/zinc/13/05/02/185130502.db2.gz VTTANUVAMUFTFI-UHFFFAOYSA-N 0 0 270.372 4.512 1 0 CJAFRN Cc1cc2c(c(C)c1Cl)C(=O)C[C@H](c1ccccc1)O2 ZINC000096927837 185131980 /nfs/dbraw/zinc/13/19/80/185131980.db2.gz JIPBLNKOLNADAX-CQSZACIVSA-N 0 0 286.758 4.663 1 0 CJAFRN Cc1cc2c(c(C)c1Cl)C(=O)C[C@@H](c1ccccc1)O2 ZINC000096927838 185132248 /nfs/dbraw/zinc/13/22/48/185132248.db2.gz JIPBLNKOLNADAX-AWEZNQCLSA-N 0 0 286.758 4.663 1 0 CJAFRN Cc1cc2oc(-c3ccccc3)cc(=O)c2c(C)c1Cl ZINC000096927859 185132277 /nfs/dbraw/zinc/13/22/77/185132277.db2.gz WLQPUJIXZQAZNG-UHFFFAOYSA-N 0 0 284.742 4.730 1 0 CJAFRN Fc1ccc(-n2c3ccccc3c3ccccc32)cc1 ZINC000096937721 185133075 /nfs/dbraw/zinc/13/30/75/185133075.db2.gz VCYZFGQPKNTPFI-UHFFFAOYSA-N 0 0 261.299 4.923 1 0 CJAFRN Cc1cccc(Nc2nc(-c3ccccn3)cs2)c1C ZINC000096937986 185133330 /nfs/dbraw/zinc/13/33/30/185133330.db2.gz AVMMZWPXZPAFEZ-UHFFFAOYSA-N 0 0 281.384 4.566 1 0 CJAFRN Cc1cccc(C)c1Nc1nc(-c2ccccn2)cs1 ZINC000096937987 185132754 /nfs/dbraw/zinc/13/27/54/185132754.db2.gz UHLMPFUXRXEORB-UHFFFAOYSA-N 0 0 281.384 4.566 1 0 CJAFRN CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C ZINC000096938617 185133057 /nfs/dbraw/zinc/13/30/57/185133057.db2.gz RVYUTDKHUFWTFC-RFYAXJIXSA-N 0 0 277.452 4.788 1 0 biogenic,in-vitro CJAFRN Cc1ccc(-c2c(C)cc3oc(=O)cc(C)c3c2C)cc1 ZINC000096940125 185134035 /nfs/dbraw/zinc/13/40/35/185134035.db2.gz XWMYWQXWXXXISU-UHFFFAOYSA-N 0 0 278.351 4.694 1 0 CJAFRN Clc1ccc(-c2[nH]ccc3c4ccccc4nc2-3)cc1 ZINC000100761965 185724812 /nfs/dbraw/zinc/72/48/12/185724812.db2.gz JLMCZYSDIUEXAE-UHFFFAOYSA-N 0 0 278.742 4.988 1 0 CJAFRN CC1(C)CC(=O)C2Sc3cc(F)ccc3N=C2C1 ZINC000100796240 185725367 /nfs/dbraw/zinc/72/53/67/185725367.db2.gz RDFZFYNCLCPMCL-UHFFFAOYSA-N 0 0 263.337 4.594 1 0 CJAFRN c1ccc2c(c1)[nH]c1c2nccc1-c1ccc2ccccc2n1 ZINC000100994872 185731329 /nfs/dbraw/zinc/73/13/29/185731329.db2.gz PFOIHCLGPFWLEH-UHFFFAOYSA-N 0 0 295.345 4.883 1 0 CJAFRN C(=C/c1[nH]ccc2c3ccccc3nc1-2)\c1ccccc1 ZINC000101651954 185752285 /nfs/dbraw/zinc/75/22/85/185752285.db2.gz PMMKYJUNLKDOQZ-ZHACJKMWSA-N 0 0 270.335 4.838 1 0 CJAFRN CCCCc1ccc(-c2nc(Nc3ccccn3)co2)cc1 ZINC000101814194 185759166 /nfs/dbraw/zinc/75/91/66/185759166.db2.gz ZLSGXJIWFPDPKP-UHFFFAOYSA-N 0 0 293.370 4.823 1 0 CJAFRN CCOC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000102973590 185801615 /nfs/dbraw/zinc/80/16/15/185801615.db2.gz PQMJWYCYCSXLGZ-JJLQDPRZSA-N 0 0 285.214 4.698 1 0 CJAFRN CO[C@H](c1cc(C)no1)c1ccccc1Oc1ccccc1 ZINC000103168586 185812960 /nfs/dbraw/zinc/81/29/60/185812960.db2.gz LHELFDAOHYKINZ-SFHVURJKSA-N 0 0 295.338 4.511 1 0 CJAFRN Cc1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000103171961 185813257 /nfs/dbraw/zinc/81/32/57/185813257.db2.gz CBVPBOUHYTZCKO-HYVNUMGLSA-N 0 0 274.404 4.613 1 0 CJAFRN Cc1ccccc1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000103171964 185813128 /nfs/dbraw/zinc/81/31/28/185813128.db2.gz GIMHOAWLSGWUEF-UKPHBRMFSA-N 0 0 274.404 4.613 1 0 CJAFRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(Cl)cc1 ZINC000103172653 185812835 /nfs/dbraw/zinc/81/28/35/185812835.db2.gz AZVBFBYDLOQUSV-UHOFOFEASA-N 0 0 294.822 4.958 1 0 CJAFRN Fc1cccc2sc(SCc3ccccc3F)nc21 ZINC000103183088 185813977 /nfs/dbraw/zinc/81/39/77/185813977.db2.gz HGJKSIOXGOYFEU-UHFFFAOYSA-N 0 0 293.363 4.867 1 0 CJAFRN CCCCOCCOc1ccc(CC(CC)CC)cc1 ZINC000103184913 185814805 /nfs/dbraw/zinc/81/48/05/185814805.db2.gz CQNYJHGGJQCAED-UHFFFAOYSA-N 0 0 278.436 4.861 1 0 CJAFRN CCOCCCCOc1ccc(CC(CC)CC)cc1 ZINC000103184918 185814855 /nfs/dbraw/zinc/81/48/55/185814855.db2.gz FHPNGXOWKXOYEA-UHFFFAOYSA-N 0 0 278.436 4.861 1 0 CJAFRN Fc1ccc2sc(SCc3ccccc3F)nc2c1 ZINC000103192125 185814673 /nfs/dbraw/zinc/81/46/73/185814673.db2.gz LWCORIRPPOGEHN-UHFFFAOYSA-N 0 0 293.363 4.867 1 0 CJAFRN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)no2)cc1 ZINC000103198288 185816084 /nfs/dbraw/zinc/81/60/84/185816084.db2.gz BWVXXWUEXQWTDX-UHFFFAOYSA-N 0 0 269.731 4.970 1 0 CJAFRN CC(C)c1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000103217002 185817577 /nfs/dbraw/zinc/81/75/77/185817577.db2.gz XHFCYJIBBRQVEW-UHFFFAOYSA-N 0 0 262.356 4.867 1 0 CJAFRN Oc1ccc(-c2cc3c(-c4ccccc4)c[nH]c3cn2)cc1 ZINC000103225106 185816867 /nfs/dbraw/zinc/81/68/67/185816867.db2.gz YTKUKDSLYSOARN-UHFFFAOYSA-N 0 0 286.334 4.603 1 0 CJAFRN Oc1ccccc1-c1cnc2[nH]cc(-c3ccccc3)c2c1 ZINC000103225121 185817615 /nfs/dbraw/zinc/81/76/15/185817615.db2.gz CDOBVHIGUHJGGX-UHFFFAOYSA-N 0 0 286.334 4.603 1 0 CJAFRN Cc1ccc(Nc2ncc(-c3ccccc3)s2)cc1 ZINC000103228341 185818007 /nfs/dbraw/zinc/81/80/07/185818007.db2.gz BFNJFVPJSUTTGW-UHFFFAOYSA-N 0 0 266.369 4.862 1 0 CJAFRN CCn1c2ccccc2c(C)c1-c1ccc(OC)cc1 ZINC000103229027 185817994 /nfs/dbraw/zinc/81/79/94/185817994.db2.gz MFCBXIIKFQDJPE-UHFFFAOYSA-N 0 0 265.356 4.645 1 0 CJAFRN CCCCNC(=O)N1c2ccccc2C=Cc2ccccc21 ZINC000103231466 185818173 /nfs/dbraw/zinc/81/81/73/185818173.db2.gz ZVYKJEWDHFIMMF-UHFFFAOYSA-N 0 0 292.382 4.818 1 0 CJAFRN CC(C)(C)NC(=O)N1c2ccccc2C=Cc2ccccc21 ZINC000103231476 185818325 /nfs/dbraw/zinc/81/83/25/185818325.db2.gz AOJYDHYSGYCMBT-UHFFFAOYSA-N 0 0 292.382 4.817 1 0 CJAFRN NC(=O)N1c2ccccc2C=Cc2c3ccccc3ccc21 ZINC000103231509 185818227 /nfs/dbraw/zinc/81/82/27/185818227.db2.gz HNOWBOJYKLWIJN-UHFFFAOYSA-N 0 0 286.334 4.540 1 0 CJAFRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(F)c1 ZINC000103248513 185820321 /nfs/dbraw/zinc/82/03/21/185820321.db2.gz KOKFYXHNJUFDKL-UHFFFAOYSA-N 0 0 299.132 4.777 1 0 CJAFRN CCOc1cccnc1SC12CC3CC(CC(C3)C1)C2 ZINC000103266088 185822309 /nfs/dbraw/zinc/82/23/09/185822309.db2.gz VEJXQGLTOSRAKZ-UHFFFAOYSA-N 0 0 289.444 4.541 1 0 CJAFRN CCc1onc(-c2ccc(Cl)o2)c1-c1ccccc1 ZINC000103269981 185824142 /nfs/dbraw/zinc/82/41/42/185824142.db2.gz WTCKSPVFQVUTAT-UHFFFAOYSA-N 0 0 273.719 4.817 1 0 CJAFRN Cc1ccccc1Nc1ccnc2[nH]c3ccccc3c21 ZINC000103297346 185827022 /nfs/dbraw/zinc/82/70/22/185827022.db2.gz SJQFKWYTPBCICF-UHFFFAOYSA-N 0 0 273.339 4.768 1 0 CJAFRN O=C1C/C(Br)=C/c2ccccc2-c2ccccc21 ZINC000103866686 185859120 /nfs/dbraw/zinc/85/91/20/185859120.db2.gz WTBQKTXQSJRFSR-XFXZXTDPSA-N 0 0 299.167 4.676 1 0 CJAFRN C[C@@]12CCC[C@H]1[C@@H]1C(=O)C[C@@H]3CCCC[C@]3(C)[C@H]1CC2 ZINC000118913159 186788444 /nfs/dbraw/zinc/78/84/44/186788444.db2.gz YNUYWCOVJOACSH-HQRJMKCBSA-N 0 0 274.448 4.988 1 0 in-vitro CJAFRN COC(=O)CCCCCCCCCc1ccccc1 ZINC000141878822 560045186 /nfs/dbraw/zinc/04/51/86/560045186.db2.gz ITIIGCZVLUSYJQ-UHFFFAOYSA-N 0 0 262.393 4.523 1 0 biogenic,in-vitro CJAFRN Cc1cc(C)c(NC(=O)[C@@H]2[C@@H]3/C=C/CCCC[C@@H]32)c(C)c1 ZINC000169294955 188656273 /nfs/dbraw/zinc/65/62/73/188656273.db2.gz FUGMKBRRIMVJBR-NDWCDMTLSA-N 0 0 283.415 4.543 1 0 CJAFRN Cc1ccc(NC2=NCCC3(CCCCC3)S2)cc1 ZINC000169308898 188656673 /nfs/dbraw/zinc/65/66/73/188656673.db2.gz HRKHXUPHZVHKJA-UHFFFAOYSA-N 0 0 274.433 4.603 1 0 CJAFRN CCc1ccc(NC2=NCCC3(CCCCC3)S2)cc1 ZINC000169308907 188657151 /nfs/dbraw/zinc/65/71/51/188657151.db2.gz FSJQSOUIZKKLDT-UHFFFAOYSA-N 0 0 288.460 4.857 1 0 CJAFRN Oc1cccc(Cc2ccc(-c3ccccc3)s2)c1 ZINC000169328929 188658925 /nfs/dbraw/zinc/65/89/25/188658925.db2.gz ZYMUUUDIWPYRSD-UHFFFAOYSA-N 0 0 266.365 4.712 1 0 CJAFRN CC(C)(C)c1ccccc1-c1ccc2n[nH]cc2c1 ZINC000169329421 188658985 /nfs/dbraw/zinc/65/89/85/188658985.db2.gz CISHPMUQLTYQDL-UHFFFAOYSA-N 0 0 250.345 4.527 1 0 CJAFRN CCOC(=O)c1c(C)oc2ccc(Oc3ccccc3)cc21 ZINC000169337515 188659100 /nfs/dbraw/zinc/65/91/00/188659100.db2.gz JTCHATVNERFWTD-UHFFFAOYSA-N 0 0 296.322 4.710 1 0 CJAFRN CCC/C=C/C=C/c1nc2ccc(OC)cc2n2cccc12 ZINC000169340784 188659914 /nfs/dbraw/zinc/65/99/14/188659914.db2.gz GRUDAVPYSBRTHD-SBIWHPGTSA-N 0 0 292.382 4.866 1 0 CJAFRN C/C=C/C=C/C=C/c1nc2ccccc2n2cccc12 ZINC000169340796 188659785 /nfs/dbraw/zinc/65/97/85/188659785.db2.gz RITQOWWGMSOEKF-QYIWOLGBSA-N 0 0 260.340 4.633 1 0 CJAFRN c1csc(-c2cc3ccccc3c(N3CCCCC3)n2)c1 ZINC000169352413 136556433 /nfs/dbraw/zinc/55/64/33/136556433.db2.gz TTZQZMRCRQYBEZ-UHFFFAOYSA-N 0 0 294.423 4.954 1 0 CJAFRN CC(=O)O[C@@H]1/C=C\C(C)(C)C/C=C(/C)CC/C=C\1C ZINC000169369121 188660843 /nfs/dbraw/zinc/66/08/43/188660843.db2.gz XPXNFGPYKOTDBB-DFPOQCDISA-N 0 0 262.393 4.577 1 0 CJAFRN c1ccc(COc2cccc3c2Cc2ccccc2C3)cc1 ZINC000086863063 327159304 /nfs/dbraw/zinc/15/93/04/327159304.db2.gz ITYZZXJCAFUHFW-UHFFFAOYSA-N 0 0 286.374 4.761 2 0 CJAFRN C[C@@]12C=CC[C@@H]1[C@H]1CC[C@H]3CC(=O)CC[C@]3(C)[C@@H]1CC2 ZINC000257433873 260029045 /nfs/dbraw/zinc/02/90/45/260029045.db2.gz HFVMLYAGWXSTQI-ATXKVLEDSA-N 0 0 272.432 4.764 2 0 endogenous,in-man CJAFRN C[C@@]12C=CC[C@@H]1[C@H]1CC[C@@H]3CC(=O)CC[C@]3(C)[C@@H]1CC2 ZINC000257433874 260029202 /nfs/dbraw/zinc/02/92/02/260029202.db2.gz HFVMLYAGWXSTQI-MDXCESHSSA-N 0 0 272.432 4.764 2 0 endogenous,in-man CJAFRN C[C@]12C=CC[C@@H]1[C@H]1CC[C@H]3CC(=O)CC[C@]3(C)[C@@H]1CC2 ZINC000257433875 260029035 /nfs/dbraw/zinc/02/90/35/260029035.db2.gz HFVMLYAGWXSTQI-MFBYZBQNSA-N 0 0 272.432 4.764 2 0 endogenous,in-man CJAFRN C[C@]12C=CC[C@@H]1[C@H]1CC[C@@H]3CC(=O)CC[C@]3(C)[C@@H]1CC2 ZINC000257433876 260029115 /nfs/dbraw/zinc/02/91/15/260029115.db2.gz HFVMLYAGWXSTQI-RZDZEHBZSA-N 0 0 272.432 4.764 2 0 endogenous,in-man CJAFRN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@@H]1CCC2=O ZINC000306122732 328424117 /nfs/dbraw/zinc/42/41/17/328424117.db2.gz YJDYCULVYZDESB-HRVGUFCPSA-N 0 0 274.448 4.988 2 0 CJAFRN C[C@]12CC[C@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CCC2=O ZINC000306122733 328424108 /nfs/dbraw/zinc/42/41/08/328424108.db2.gz YJDYCULVYZDESB-MCIQLKMHSA-N 0 0 274.448 4.988 2 0 CJAFRN Clc1ccc(-c2cc(-c3ccccn3)on2)c(Cl)c1 ZINC000000077744 169528013 /nfs/dbraw/zinc/52/80/13/169528013.db2.gz LRQLTRSUHLYAHV-UHFFFAOYSA-N 0 0 291.137 4.710 3 0 CJAFRN Cc1cc(C[C@H](Nc2ccc(C)cc2)c2ccccc2)on1 ZINC000000387873 169626986 /nfs/dbraw/zinc/62/69/86/169626986.db2.gz UALGBQLSXAVNHJ-IBGZPJMESA-N 0 0 292.382 4.687 3 0 CJAFRN Cc1cc(-c2ccc(Cl)cc2)c2cnn(C(C)C)c2n1 ZINC000002633316 169816779 /nfs/dbraw/zinc/81/67/79/169816779.db2.gz UBKZBRHVUBHSAZ-UHFFFAOYSA-N 0 0 285.778 4.641 3 0 CJAFRN COc1ccccc1Oc1ccnc2cc(Cl)ccc21 ZINC000006476596 170204277 /nfs/dbraw/zinc/20/42/77/170204277.db2.gz ISULDBYNRBUGMJ-UHFFFAOYSA-N 0 0 285.730 4.689 3 0 CJAFRN Cc1ccccc1-c1ccc(C(=O)Nc2cccc(F)c2)o1 ZINC000008680100 170345022 /nfs/dbraw/zinc/34/50/22/170345022.db2.gz DITPTOSPMIZMEI-UHFFFAOYSA-N 0 0 295.313 4.646 3 0 CJAFRN O=C1N(c2ccccc2)[C@@H](c2ccccc2)C12CCCCC2 ZINC000032221757 171721633 /nfs/dbraw/zinc/72/16/33/171721633.db2.gz AEIVOTLFPKAXOZ-SFHVURJKSA-N 0 0 291.394 4.725 3 0 CJAFRN CC(C)c1cccc(-c2csc([C@@H](O)c3ccco3)n2)c1 ZINC000061926034 519840842 /nfs/dbraw/zinc/84/08/42/519840842.db2.gz LRGXCGWOTIESHE-INIZCTEOSA-N 0 0 299.395 4.608 3 0 CJAFRN c1cn2cc(-c3cccc4c5ccccc5oc43)ccc2n1 ZINC000061930216 526539769 /nfs/dbraw/zinc/53/97/69/526539769.db2.gz AVAUFDSLQBDSKG-UHFFFAOYSA-N 0 0 284.318 4.901 3 0 CJAFRN Cc1c2cc(C(F)(F)F)ccc2[nH]c1C1(O)CCCCC1 ZINC000061969053 525940603 /nfs/dbraw/zinc/94/06/03/525940603.db2.gz QYOVZRAGURPKFE-UHFFFAOYSA-N 0 0 297.320 4.647 3 0 CJAFRN CC(C)(C)Cc1c(-c2ccco2)nc2ccc(Cl)cn21 ZINC000072119817 176319467 /nfs/dbraw/zinc/31/94/67/176319467.db2.gz MDAARYNWJJOMAY-UHFFFAOYSA-N 0 0 288.778 4.836 3 0 CJAFRN CCCc1nc2ccc(C)cn2c1Cc1cccc(Cl)c1 ZINC000072121492 176320250 /nfs/dbraw/zinc/32/02/50/176320250.db2.gz GZEMOZWAJKKXKE-UHFFFAOYSA-N 0 0 298.817 4.839 3 0 CJAFRN Cc1ccc2nc(C(C)(C)C)c(Cc3cccc(F)c3)n2c1 ZINC000072136102 176322345 /nfs/dbraw/zinc/32/23/45/176322345.db2.gz AVERZJUAFKQPSW-UHFFFAOYSA-N 0 0 296.389 4.670 3 0 CJAFRN Cc1ccc2nc(C(C)(C)C)c(Cc3ccsc3)n2c1 ZINC000072138237 176322977 /nfs/dbraw/zinc/32/29/77/176322977.db2.gz KECSVAGADREPMH-UHFFFAOYSA-N 0 0 284.428 4.593 3 0 CJAFRN CCCc1nc2ccc(Cl)cn2c1Cc1ccc(C)cc1 ZINC000072138569 176323119 /nfs/dbraw/zinc/32/31/19/176323119.db2.gz IXXZMZSOLVPQTK-UHFFFAOYSA-N 0 0 298.817 4.839 3 0 CJAFRN CC(C)(C)c1ccc(Nc2n[nH]c3ccccc32)cc1 ZINC000072140800 176323354 /nfs/dbraw/zinc/32/33/54/176323354.db2.gz RACMIUAAKPPEPS-UHFFFAOYSA-N 0 0 265.360 4.604 3 0 CJAFRN Cc1n[nH]cc1Nc1c(C(C)C)cccc1C(C)C ZINC000072141027 176323752 /nfs/dbraw/zinc/32/37/52/176323752.db2.gz LNHHDTWGIHHXER-UHFFFAOYSA-N 0 0 257.381 4.709 3 0 CJAFRN Fc1cc(Cl)cc2ccc(-c3ccccc3)nc12 ZINC000072141345 176323758 /nfs/dbraw/zinc/32/37/58/176323758.db2.gz SZQAOEDMOFJUSS-UHFFFAOYSA-N 0 0 257.695 4.694 3 0 CJAFRN CCCc1nc2ccc(Cl)cn2c1Cc1ccccc1 ZINC000095566139 185010473 /nfs/dbraw/zinc/01/04/73/185010473.db2.gz YPIFJHNBKWFRML-UHFFFAOYSA-N 0 0 284.790 4.531 3 0 CJAFRN CC[C@H]1c2ccccc2[C@@H]2CC[C@H]1N2c1ccccc1 ZINC000095566592 185010182 /nfs/dbraw/zinc/01/01/82/185010182.db2.gz PLCRLFLIEVLCIB-IPELMVKDSA-N 0 0 263.384 4.904 3 0 CJAFRN c1ccc(N2[C@H]3c4ccccc4[C@@H]2Cc2ccccc23)cc1 ZINC000095568547 185009987 /nfs/dbraw/zinc/00/99/87/185009987.db2.gz NKZAQLVMEKCKTB-LEWJYISDSA-N 0 0 283.374 4.893 3 0 CJAFRN Cc1csc(-c2ccc3cc(Cl)cc(Cl)c3n2)n1 ZINC000095568857 185010138 /nfs/dbraw/zinc/01/01/38/185010138.db2.gz SQSWRXOEJHBIBR-UHFFFAOYSA-N 0 0 295.194 4.974 3 0 CJAFRN CC[C@@H]1c2ccccc2[C@@H]2CC[C@H]1N2c1ccccc1 ZINC000095605123 185015075 /nfs/dbraw/zinc/01/50/75/185015075.db2.gz PLCRLFLIEVLCIB-LZQZEXGQSA-N 0 0 263.384 4.904 3 0 CJAFRN