smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1oc2cccc([O-])c2cc1[C@H]1CCc2ccccc2C1 ZINC000002555379 169808022 /nfs/dbraw/zinc/80/80/22/169808022.db2.gz FSLFRCJTFQJXBD-AWEZNQCLSA-N -1 1 292.334 3.771 40 0 CHABMM CCc1c(C)nc(SCc2ccc(Cl)cc2)[n-]c1=O ZINC000005021606 170056406 /nfs/dbraw/zinc/05/64/06/170056406.db2.gz HBMVMJFZKHJVKU-UHFFFAOYSA-N -1 1 294.807 3.586 40 0 CHABMM CC(C)C[C@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000062718001 567109484 /nfs/dbraw/zinc/10/94/84/567109484.db2.gz QAEFQOXKWJQGEE-HNNXBMFYSA-N -1 1 287.359 3.536 40 0 CHABMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000041091211 1121428838 /nfs/dbraw/zinc/42/88/38/1121428838.db2.gz RNMDRKWBPMXLNI-UHFFFAOYSA-N -1 1 299.754 3.588 40 0 CHABMM CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc([O-])cc2)cc1 ZINC000006692886 170226480 /nfs/dbraw/zinc/22/64/80/170226480.db2.gz KSBBNJZVDXSJKO-UHFFFAOYSA-N -1 1 298.338 3.575 40 0 in-vitro CHABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000020456644 171208371 /nfs/dbraw/zinc/20/83/71/171208371.db2.gz UYRLVWIYQXJNAZ-UHFFFAOYSA-N -1 1 293.413 3.599 40 0 CHABMM Cc1ccc2nccc(Nc3ccccc3C(=O)[O-])c2c1 ZINC000078401416 177337542 /nfs/dbraw/zinc/33/75/42/177337542.db2.gz RGXNBIRBQPBPBY-UHFFFAOYSA-N -1 1 278.311 3.985 40 0 CHABMM [O-][C@@]1(C(F)(F)F)ON=C2/C(=C/c3ccccc3)CCC[C@H]21 ZINC000004269875 567856620 /nfs/dbraw/zinc/85/66/20/567856620.db2.gz RHOOTQAOZKPADG-CSJUJBHWSA-N -1 1 297.276 3.507 40 0 CHABMM O=c1nc(-c2ccco2)[n-]c2sc(-c3ccccc3)cc21 ZINC000060486230 567896917 /nfs/dbraw/zinc/89/69/17/567896917.db2.gz VSKSDSRBOKSUNW-UHFFFAOYSA-N -1 1 294.335 3.912 40 0 CHABMM O=c1c2ccc(O)cc2oc([O-])c1-c1ccc(Cl)cc1 ZINC000137062703 1118856231 /nfs/dbraw/zinc/85/62/31/1118856231.db2.gz RTGSKPSHGFLOHD-UHFFFAOYSA-N -1 1 288.686 3.525 40 0 CHABMM O=c1oc2cc(O)ccc2c([O-])c1-c1ccc(Cl)cc1 ZINC000137062703 1118856234 /nfs/dbraw/zinc/85/62/34/1118856234.db2.gz RTGSKPSHGFLOHD-UHFFFAOYSA-N -1 1 288.686 3.525 40 0 CHABMM CCCc1n[n-]c(=S)n1NCc1ccc(C(C)C)cc1 ZINC000007601437 170292866 /nfs/dbraw/zinc/29/28/66/170292866.db2.gz PIHDRTVNKLBDOK-UHFFFAOYSA-N -1 1 290.436 3.760 40 0 CHABMM O=c1[n-]c(-c2c(O)ccc3ccccc32)nc2ccccc21 ZINC000575410920 566932362 /nfs/dbraw/zinc/93/23/62/566932362.db2.gz MWBDTVVVJAOJBE-UHFFFAOYSA-N -1 1 288.306 3.861 40 0 CHABMM CCOC(=O)c1c(C)oc2c1c(C=O)c([O-])c1ccccc21 ZINC000000564606 567833532 /nfs/dbraw/zinc/83/35/32/567833532.db2.gz UEHOMMYHGWTNEW-UHFFFAOYSA-N -1 1 298.294 3.589 40 0 CHABMM [O-]c1cc(Br)c(Cl)c(Br)c1 ZINC000070461235 567889972 /nfs/dbraw/zinc/88/99/72/567889972.db2.gz BVXNCUMOFKGFKF-UHFFFAOYSA-N -1 1 286.350 3.571 40 0 CHABMM FC(F)c1n[nH]c(SCc2cccc(Cl)c2)n1 ZINC000216927224 570306846 /nfs/dbraw/zinc/30/68/46/570306846.db2.gz NIDJTIVQIPHRJJ-UHFFFAOYSA-N -1 1 275.711 3.688 40 0 CHABMM FC(F)(F)c1nc2c([nH]1)c(Cl)ccc2Br ZINC000258330069 190038139 /nfs/dbraw/zinc/03/81/39/190038139.db2.gz CAYLSEZPEBSUFT-UHFFFAOYSA-N -1 1 299.477 3.998 40 0 CHABMM CC1=NN(c2ccccc2)C(=S)C1=C([O-])c1ccccc1 ZINC000100935104 567914007 /nfs/dbraw/zinc/91/40/07/567914007.db2.gz OFSJYAIKMAHYOV-HNNXBMFYSA-N -1 1 294.379 3.709 40 0 CHABMM Cc1ccc2nccc(Nc3cccc(C(=O)[O-])c3)c2c1 ZINC000073738628 570234459 /nfs/dbraw/zinc/23/44/59/570234459.db2.gz PADFMSHNRKCYMS-UHFFFAOYSA-N -1 1 278.311 3.985 40 0 CHABMM Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1ccccc1 ZINC000006922094 170255287 /nfs/dbraw/zinc/25/52/87/170255287.db2.gz SSPSNKPHBNTNOT-UHFFFAOYSA-N -1 1 295.791 3.758 40 0 CHABMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1CC(C)C ZINC000009937253 170391375 /nfs/dbraw/zinc/39/13/75/170391375.db2.gz RKSLERPUKGWLKY-UHFFFAOYSA-N -1 1 264.756 3.738 40 0 CHABMM COc1ccc(NCc2ccc([O-])c(Cl)c2)cc1 ZINC000043476969 175055014 /nfs/dbraw/zinc/05/50/14/175055014.db2.gz SXQNXYCSBXEMLC-UHFFFAOYSA-N -1 1 263.724 3.666 40 0 CHABMM S=c1[n-]nc(C=Cc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000016957328 567874104 /nfs/dbraw/zinc/87/41/04/567874104.db2.gz PKUYZOUOVQFRAP-DUXPYHPUSA-N -1 1 272.160 3.944 40 0 CHABMM Cc1ccc2[nH]cc(C=C3SC(=S)[N-]C3=O)c2c1 ZINC000032109507 567885596 /nfs/dbraw/zinc/88/55/96/567885596.db2.gz KRMVKOHTSYKXDA-WZUFQYTHSA-N -1 1 274.370 3.805 40 0 CHABMM COc1ccccc1NC(=O)c1c([O-])ccc2ccccc21 ZINC000196346339 1123443561 /nfs/dbraw/zinc/44/35/61/1123443561.db2.gz XPWVZMASRVKBKL-UHFFFAOYSA-N -1 1 293.322 3.806 40 0 CHABMM FC(F)Oc1cc2nc(Cl)[nH]c2c(Br)c1 ZINC000258840159 190038004 /nfs/dbraw/zinc/03/80/04/190038004.db2.gz ZCPQFFGQTIQEAN-UHFFFAOYSA-N -1 1 297.486 3.580 40 0 CHABMM Cc1[n-]n(-c2ccccc2C)c(=O)c1CCC(C)C ZINC000010157383 170399405 /nfs/dbraw/zinc/39/94/05/170399405.db2.gz SFEOPHDRWOAQSL-UHFFFAOYSA-N -1 1 258.365 3.783 40 0 CHABMM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCCCC1 ZINC000037361993 173151373 /nfs/dbraw/zinc/15/13/73/173151373.db2.gz NOXPORYJTJYRCX-GFCCVEGCSA-N -1 1 288.174 3.605 40 0 CHABMM CCn1c(CSCc2ccc(F)cc2)n[n-]c1=S ZINC000005909232 1117833735 /nfs/dbraw/zinc/83/37/35/1117833735.db2.gz IUNPOBWUHYPHOE-UHFFFAOYSA-N -1 1 283.397 3.533 40 0 CHABMM CSc1nc2c(c(=O)[n-]1)[C@H]1C=C(C)CC[C@@H]1C(C)(C)C2 ZINC000017060353 567875051 /nfs/dbraw/zinc/87/50/51/567875051.db2.gz HFVQGXYSGIZIDB-QWRGUYRKSA-N -1 1 290.432 3.514 40 0 CHABMM CC1=NN(c2ccccc2)C(=S)C1=C([O-])c1ccccc1 ZINC000100935105 567914064 /nfs/dbraw/zinc/91/40/64/567914064.db2.gz OFSJYAIKMAHYOV-OAHLLOKOSA-N -1 1 294.379 3.709 40 0 CHABMM CCCOc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000047080608 567924171 /nfs/dbraw/zinc/92/41/71/567924171.db2.gz SWRKESCJWATMIJ-FLIBITNWSA-N -1 1 279.386 3.805 40 0 CHABMM CCCc1cc(=O)[n-]c(S[C@H](C)c2ccccc2)n1 ZINC000005154772 170071496 /nfs/dbraw/zinc/07/14/96/170071496.db2.gz KPMSCUGQLQDZIT-LLVKDONJSA-N -1 1 274.389 3.576 40 0 CHABMM Nc1nc(-c2ccccc2)cc(-c2cc(Cl)ccc2[O-])n1 ZINC000001616392 567839414 /nfs/dbraw/zinc/83/94/14/567839414.db2.gz DYNWHSRNFPBNHN-UHFFFAOYSA-N -1 1 297.745 3.752 40 0 CHABMM O=C([O-])c1cc2[nH]c(-c3ccccc3F)nc2c(Cl)c1 ZINC000216921655 570347970 /nfs/dbraw/zinc/34/79/70/570347970.db2.gz OTQOGAQDBLDBSD-UHFFFAOYSA-N -1 1 290.681 3.721 40 0 CHABMM [O-][C@]1(C(F)(F)F)ON=C2/C(=C\c3ccccc3)CCC[C@H]21 ZINC000036533595 172638534 /nfs/dbraw/zinc/63/85/34/172638534.db2.gz RHOOTQAOZKPADG-KRFXKNSESA-N -1 1 297.276 3.507 40 0 CHABMM Cc1c(Br)c([O-])c(C(C)C)cc1N=O ZINC000078549968 177352954 /nfs/dbraw/zinc/35/29/54/177352954.db2.gz NJECZOBXMPNODJ-UHFFFAOYSA-N -1 1 258.115 3.984 40 0 CHABMM O=C1c2cc(Cl)ccc2-c2c1cc(Cl)cc2[O-] ZINC000001609844 567839420 /nfs/dbraw/zinc/83/94/20/567839420.db2.gz SXMMYGMDDNLAIK-UHFFFAOYSA-N -1 1 265.095 3.910 40 0 CHABMM CC(C)CCSc1nc(O)c(C2CCCCC2)c(=O)[n-]1 ZINC000013453889 567866192 /nfs/dbraw/zinc/86/61/92/567866192.db2.gz CSEICNIADCMLLK-UHFFFAOYSA-N -1 1 296.436 3.661 40 0 CHABMM [O-]c1ccc2cc(Br)ccc2c1Cl ZINC000090411191 179981424 /nfs/dbraw/zinc/98/14/24/179981424.db2.gz VBWQIAWVZHISLP-UHFFFAOYSA-N -1 1 257.514 3.961 40 0 CHABMM CCn1c(=S)[n-]nc1-c1ccc2c(c1)c(C)c(C)n2C ZINC000005445085 170099783 /nfs/dbraw/zinc/09/97/83/170099783.db2.gz PLKJWGUKGBSQHQ-UHFFFAOYSA-N -1 1 286.404 3.736 40 0 CHABMM O=C([O-])c1ccccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000020375275 171170169 /nfs/dbraw/zinc/17/01/69/171170169.db2.gz LOULCRJBESGMMJ-UHFFFAOYSA-N -1 1 272.691 3.582 40 0 CHABMM CCCCc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000009937238 170391595 /nfs/dbraw/zinc/39/15/95/170391595.db2.gz LJTBJNQTNZWJQT-UHFFFAOYSA-N -1 1 264.756 3.882 40 0 CHABMM CC(C)C[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000062718002 567109171 /nfs/dbraw/zinc/10/91/71/567109171.db2.gz QAEFQOXKWJQGEE-OAHLLOKOSA-N -1 1 287.359 3.536 40 0 CHABMM [O-][C@@]1(C(F)(F)F)ON=C2/C(=C/c3ccccc3)CCC[C@@H]21 ZINC000004269882 567856659 /nfs/dbraw/zinc/85/66/59/567856659.db2.gz RHOOTQAOZKPADG-KVLWQBRYSA-N -1 1 297.276 3.507 40 0 CHABMM CSc1nc2c(c(=O)[n-]1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)C2 ZINC000017060354 567874896 /nfs/dbraw/zinc/87/48/96/567874896.db2.gz HFVQGXYSGIZIDB-GHMZBOCLSA-N -1 1 290.432 3.514 40 0 CHABMM CCCCc1cc(=O)n(-c2cccc(Cl)c2)[n-]1 ZINC000071976521 176306815 /nfs/dbraw/zinc/30/68/15/176306815.db2.gz HHCZEDXLFPDEPB-UHFFFAOYSA-N -1 1 250.729 3.623 40 0 CHABMM [O-][C@@]1(C(F)(F)F)ON=C2/C(=C\c3ccccc3)CCC[C@H]21 ZINC000036533597 567889320 /nfs/dbraw/zinc/88/93/20/567889320.db2.gz RHOOTQAOZKPADG-SRHJZDPESA-N -1 1 297.276 3.507 40 0 CHABMM Cn1c(-c2cc(C(F)(F)F)ccc2Cl)n[n-]c1=S ZINC000228925454 570372989 /nfs/dbraw/zinc/37/29/89/570372989.db2.gz WBHQMLURAYZNTP-UHFFFAOYSA-N -1 1 293.701 3.817 40 0 CHABMM CCc1c(C)nc2c(-c3ccccc3)c(C)[n-]n2c1=S ZINC000027584856 567099550 /nfs/dbraw/zinc/09/95/50/567099550.db2.gz IKQJDXAIKNYEMQ-UHFFFAOYSA-N -1 1 283.400 3.864 40 0 CHABMM CCc1nc(SCc2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000004861224 170032265 /nfs/dbraw/zinc/03/22/65/170032265.db2.gz QEAPZINYAUIESX-UHFFFAOYSA-N -1 1 294.807 3.586 40 0 CHABMM C#CCn1cc(C=C2SC(=S)[N-]C2=O)c2ccccc21 ZINC000033595883 567080582 /nfs/dbraw/zinc/08/05/82/567080582.db2.gz AYIZOJOVXZPTCN-JYRVWZFOSA-N -1 1 298.392 3.604 40 0 CHABMM [O-]c1ccc(Cl)cc1-c1cc(C(F)(F)F)no1 ZINC000012428513 567882887 /nfs/dbraw/zinc/88/28/87/567882887.db2.gz WXDBAAOCXPMTET-UHFFFAOYSA-N -1 1 263.602 3.719 40 0 CHABMM [O-][C@@]1(C(F)(F)F)ON=C2/C(=C\c3ccccc3)CCC[C@@H]21 ZINC000033369477 567886642 /nfs/dbraw/zinc/88/66/42/567886642.db2.gz RHOOTQAOZKPADG-RHDOYOBMSA-N -1 1 297.276 3.507 40 0 CHABMM CC(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c([O-])c1 ZINC000000103480 567907237 /nfs/dbraw/zinc/90/72/37/567907237.db2.gz MTNRNDDKBCMBDI-UHFFFAOYSA-N -1 1 296.326 3.776 40 0 CHABMM O=C1[N-]C(=O)C(=Cc2ccc(Oc3ccccc3)cc2)S1 ZINC000005604120 170118939 /nfs/dbraw/zinc/11/89/39/170118939.db2.gz YDMLRGYVPHSVSL-GXDHUFHOSA-N -1 1 297.335 3.803 40 0 CHABMM O=C(Nc1cccc2ccccc21)Nc1ncccc1[O-] ZINC000016544971 567872953 /nfs/dbraw/zinc/87/29/53/567872953.db2.gz LLNHWYJJGPRYCV-UHFFFAOYSA-N -1 1 279.299 3.584 40 0 CHABMM O=C([N-][C@H]1CCCc2ccccc21)C(Cl)(Cl)Cl ZINC000016524720 567873032 /nfs/dbraw/zinc/87/30/32/567873032.db2.gz BWJISJVZYZQPRY-JTQLQIEISA-N -1 1 292.593 3.550 40 0 CHABMM CSc1nc2c(c(=O)[n-]1)[C@H]1C=C(C)CC[C@H]1C(C)(C)C2 ZINC000017060355 567874988 /nfs/dbraw/zinc/87/49/88/567874988.db2.gz HFVQGXYSGIZIDB-WDEREUQCSA-N -1 1 290.432 3.514 40 0 CHABMM [O-][C@]1(C(F)(F)F)ON=C2/C(=C\c3ccccc3)CCC[C@@H]21 ZINC000033369478 567886566 /nfs/dbraw/zinc/88/65/66/567886566.db2.gz RHOOTQAOZKPADG-PEJGCUSZSA-N -1 1 297.276 3.507 40 0 CHABMM O=c1c2cccc(Cl)c2[nH]c([O-])c1-c1ccccc1 ZINC000002506099 567941518 /nfs/dbraw/zinc/94/15/18/567941518.db2.gz IUEJWFNDXKJEHC-UHFFFAOYSA-N -1 1 271.703 3.554 40 0 CHABMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2ccccc2)n1 ZINC000005154771 170071479 /nfs/dbraw/zinc/07/14/79/170071479.db2.gz KPMSCUGQLQDZIT-NSHDSACASA-N -1 1 274.389 3.576 40 0 CHABMM S=c1[n-]nc(Cc2ccccc2)n1CCc1ccccc1 ZINC000035316165 172122844 /nfs/dbraw/zinc/12/28/44/172122844.db2.gz JLPFFGWHCFFSNR-UHFFFAOYSA-N -1 1 295.411 3.774 40 0 CHABMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1C1CCCC1 ZINC000408786675 567933192 /nfs/dbraw/zinc/93/31/92/567933192.db2.gz LYZXYHJOOAGYDN-MDWZMJQESA-N -1 1 290.388 3.544 40 0 CHABMM O=C([O-])c1cc2[nH]c(-c3ccc(F)cc3)nc2c(Cl)c1 ZINC000216922471 570306750 /nfs/dbraw/zinc/30/67/50/570306750.db2.gz HOHDBPCZUBOIBY-UHFFFAOYSA-N -1 1 290.681 3.721 40 0 CHABMM O=Cc1cc(-c2c(F)cccc2Cl)ccc1[O-] ZINC000096312867 570359424 /nfs/dbraw/zinc/35/94/24/570359424.db2.gz WUNNONXISFSGDX-UHFFFAOYSA-N -1 1 250.656 3.664 40 0 CHABMM Cc1ccc(NC(=O)c2ccccc2[O-])cc1Cl ZINC000005618179 170120555 /nfs/dbraw/zinc/12/05/55/170120555.db2.gz XOYCLBPOKLASSU-UHFFFAOYSA-N -1 1 261.708 3.606 40 0 CHABMM O=C1[N-]C(=S)SC1=Cc1ccc(N2CCCCC2)o1 ZINC000038704527 260131584 /nfs/dbraw/zinc/13/15/84/260131584.db2.gz IKNINPOACYDZCC-NTMALXAHSA-N -1 1 294.401 3.599 40 0 CHABMM CSc1nc2c(c(=O)[n-]1)[C@@H]1C=C(C)CC[C@@H]1C(C)(C)C2 ZINC000009692023 170384542 /nfs/dbraw/zinc/38/45/42/170384542.db2.gz HFVQGXYSGIZIDB-MNOVXSKESA-N -1 1 290.432 3.514 40 0 CHABMM CCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000020158347 171040082 /nfs/dbraw/zinc/04/00/82/171040082.db2.gz PRMCAAPCVAGHAD-UHFFFAOYSA-N -1 1 296.326 3.939 40 0 CHABMM CCc1ccc2oc(-c3ccc(NC(C)=O)cc3[O-])nc2c1 ZINC000070462036 175943185 /nfs/dbraw/zinc/94/31/85/175943185.db2.gz HRZOFBTUKUBECT-UHFFFAOYSA-N -1 1 296.326 3.721 40 0 CHABMM O=c1[n-]c(=S)[nH]cc1Oc1ccc(Cl)cc1Cl ZINC000017886718 567876123 /nfs/dbraw/zinc/87/61/23/567876123.db2.gz GZOUVEFFNQFCEW-UHFFFAOYSA-N -1 1 289.143 3.944 40 0 CHABMM FC(F)(F)c1ccc(Br)c2nc(Cl)[nH]c21 ZINC000258834141 190038151 /nfs/dbraw/zinc/03/81/51/190038151.db2.gz OEXQJTBAPLVWHU-UHFFFAOYSA-N -1 1 299.477 3.998 40 0 CHABMM Cc1c(-c2ccc(C)cc2)oc(-c2ccccc2[O-])[n+]1[O-] ZINC000005546385 170111439 /nfs/dbraw/zinc/11/14/39/170111439.db2.gz FNZVXJWBRQVBIZ-UHFFFAOYSA-N -1 1 281.311 3.569 40 0 CHABMM CCn1cc(C=C2SC(=S)[N-]C2=O)c2ccccc21 ZINC000006948163 170258221 /nfs/dbraw/zinc/25/82/21/170258221.db2.gz JWCBKGVJEGDSBL-KPKJPENVSA-N -1 1 288.397 3.990 40 0 CHABMM CCC(=O)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000020158408 171039821 /nfs/dbraw/zinc/03/98/21/171039821.db2.gz CLPUKAHRFWOWAJ-UHFFFAOYSA-N -1 1 282.299 3.549 40 0 CHABMM CC(C)c1nc(Cl)c(C(=O)OCc2ccccc2)[n-]1 ZINC000256051283 1120431257 /nfs/dbraw/zinc/43/12/57/1120431257.db2.gz INKUYHFOROGRDP-UHFFFAOYSA-N -1 1 278.739 3.544 40 0 CHABMM Cc1ccccc1CNn1c(=S)[n-]nc1-c1ccccc1 ZINC000007601539 170292896 /nfs/dbraw/zinc/29/28/96/170292896.db2.gz JDOGOYKZOUEADQ-UHFFFAOYSA-N -1 1 296.399 3.660 40 0 CHABMM CCCC(=O)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000020158411 171040107 /nfs/dbraw/zinc/04/01/07/171040107.db2.gz ASYQDPMFTACHCV-UHFFFAOYSA-N -1 1 296.326 3.939 40 0 CHABMM O=C(Oc1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000000136197 570272730 /nfs/dbraw/zinc/27/27/30/570272730.db2.gz PLIHAXTUDAJMFQ-UHFFFAOYSA-N -1 1 283.110 3.918 40 0 CHABMM O=C(Nc1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000011639190 570282774 /nfs/dbraw/zinc/28/27/74/570282774.db2.gz WCNOIIANCVJUDY-UHFFFAOYSA-N -1 1 281.233 3.663 40 0 CHABMM [O-][C@]1(C(F)(F)F)ON=C2/C(=C/c3ccccc3)CCC[C@H]21 ZINC000004269867 567856564 /nfs/dbraw/zinc/85/65/64/567856564.db2.gz RHOOTQAOZKPADG-QRUMOCGTSA-N -1 1 297.276 3.507 40 0 CHABMM CC(=O)C=C(O)CCCCCCCCCCCC(=O)[O-] ZINC000031748936 567885064 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