smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1cc(F)cc(Cl)c1O)N1CCC(Cn2ccnn2)CC1 ZINC000159523803 206250436 /nfs/dbraw/zinc/25/04/36/206250436.db2.gz HZYNSQBUVONNMZ-UHFFFAOYSA-N 0 2 338.770 2.329 20 70 EEIDLN O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1ccc2c(c1)CCO2 ZINC000160253867 206286106 /nfs/dbraw/zinc/28/61/06/206286106.db2.gz LVWPPTGVDYLRKQ-UHFFFAOYSA-N 0 2 347.318 2.181 20 70 EEIDLN Cc1ccc(-c2nnc(NC(=O)Cc3cn4ccsc4n3)[nH]2)o1 ZINC000160183872 463322737 /nfs/dbraw/zinc/32/27/37/463322737.db2.gz SPXVHSNVJDABLW-UHFFFAOYSA-N 0 2 328.357 2.264 20 70 EEIDLN CC(=O)N1c2ccc(S(=O)(=O)Nc3[nH]nc(C)c3C)cc2C[C@H]1C ZINC000160486662 311354676 /nfs/dbraw/zinc/35/46/76/311354676.db2.gz YODJHPUHNZTPSU-SECBINFHSA-N 0 2 348.428 2.125 20 70 EEIDLN CC(=O)N1c2ccc(S(=O)(=O)Nc3n[nH]c(C)c3C)cc2C[C@H]1C ZINC000160486662 311354677 /nfs/dbraw/zinc/35/46/77/311354677.db2.gz YODJHPUHNZTPSU-SECBINFHSA-N 0 2 348.428 2.125 20 70 EEIDLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)cc1 ZINC000160656166 311356942 /nfs/dbraw/zinc/35/69/42/311356942.db2.gz HLCRHONNMWNGNF-UHFFFAOYSA-N 0 2 336.417 2.317 20 70 EEIDLN CC1(C)CCCC[C@@H]1CC(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000160381011 463333448 /nfs/dbraw/zinc/33/34/48/463333448.db2.gz KXINVEKDNLPXKN-SECBINFHSA-N 0 2 346.478 2.455 20 70 EEIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ncc(C)s1 ZINC000160862346 311359557 /nfs/dbraw/zinc/35/95/57/311359557.db2.gz FMIDLENMQLZDGL-UHFFFAOYSA-N 0 2 330.362 2.178 20 70 EEIDLN CS(=O)(=O)Cc1cc(F)ccc1NS(=O)(=O)c1cccs1 ZINC000161054278 311361457 /nfs/dbraw/zinc/36/14/57/311361457.db2.gz YABNVKZSIIMFIT-UHFFFAOYSA-N 0 2 349.430 2.233 20 70 EEIDLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ncc(C)s2)c1 ZINC000159497488 529170436 /nfs/dbraw/zinc/17/04/36/529170436.db2.gz ISLWVIKIKOROKX-UHFFFAOYSA-N 0 2 346.455 2.046 20 70 EEIDLN Cc1ccc(F)c(OCC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c1 ZINC000161398202 539527812 /nfs/dbraw/zinc/52/78/12/539527812.db2.gz VIXPOYLLIPUBSZ-UHFFFAOYSA-N 0 2 343.314 2.495 20 70 EEIDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)cc1C ZINC000160654428 463359332 /nfs/dbraw/zinc/35/93/32/463359332.db2.gz HCSGZBQMAGFWGH-UHFFFAOYSA-N 0 2 337.401 2.429 20 70 EEIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000160908397 311359745 /nfs/dbraw/zinc/35/97/45/311359745.db2.gz IWGHNOZBQFQYMF-UHFFFAOYSA-N 0 2 344.751 2.462 20 70 EEIDLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(C)C)n[nH]3)ccc21 ZINC000160657183 463359753 /nfs/dbraw/zinc/35/97/53/463359753.db2.gz JQIZOQZMANIDRX-UHFFFAOYSA-N 0 2 348.428 2.243 20 70 EEIDLN CN1c2ccc(S(=O)(=O)Nc3nncs3)c3cccc(c23)C1=O ZINC000160586651 311356064 /nfs/dbraw/zinc/35/60/64/311356064.db2.gz OBBGGQRGHNTCQG-UHFFFAOYSA-N 0 2 346.393 2.082 20 70 EEIDLN C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C(=O)OC(C)(C)C ZINC000160109608 463318678 /nfs/dbraw/zinc/31/86/78/463318678.db2.gz XGMVUSHNEPQRHI-SNVBAGLBSA-N 0 2 349.362 2.177 20 70 EEIDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000159652236 539518112 /nfs/dbraw/zinc/51/81/12/539518112.db2.gz XVCYNPNFIIJMHN-UHFFFAOYSA-N 0 2 343.478 2.321 20 70 EEIDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(SC)nc1 ZINC000159601458 539516723 /nfs/dbraw/zinc/51/67/23/539516723.db2.gz MYOMWHRBGHKENC-UHFFFAOYSA-N 0 2 340.474 2.463 20 70 EEIDLN Cc1nc(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c(C)s1 ZINC000161397361 539527696 /nfs/dbraw/zinc/52/76/96/539527696.db2.gz QSXFVZGIQVEMHY-UHFFFAOYSA-N 0 2 330.369 2.284 20 70 EEIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(C)cs1 ZINC000160853477 311359254 /nfs/dbraw/zinc/35/92/54/311359254.db2.gz VJGYDRCPLIRLOB-UHFFFAOYSA-N 0 2 330.362 2.178 20 70 EEIDLN CC(C)n1nccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000159513368 311342565 /nfs/dbraw/zinc/34/25/65/311342565.db2.gz PGKWRQOTXCIURN-UHFFFAOYSA-N 0 2 348.428 2.495 20 70 EEIDLN Cc1ccc(-c2n[nH]c(NC(=O)c3cnc4ccccc4c3O)n2)o1 ZINC000160221005 463324453 /nfs/dbraw/zinc/32/44/53/463324453.db2.gz NSDOOTOMMSCELF-UHFFFAOYSA-N 0 2 335.323 2.467 20 70 EEIDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(OC)nc1C ZINC000159672232 539517898 /nfs/dbraw/zinc/51/78/98/539517898.db2.gz LKAKAXYQAFYLGR-UHFFFAOYSA-N 0 2 338.433 2.058 20 70 EEIDLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nncs3)cc(Cl)c2O1 ZINC000160557196 463349297 /nfs/dbraw/zinc/34/92/97/463349297.db2.gz NLTOVWYRGAWEEP-LURJTMIESA-N 0 2 331.806 2.316 20 70 EEIDLN CC(C)c1cc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)[nH]n1 ZINC000160657892 463360623 /nfs/dbraw/zinc/36/06/23/463360623.db2.gz HCVFENKIGYXNIA-UHFFFAOYSA-N 0 2 336.417 2.036 20 70 EEIDLN CCc1cnc(NS(=O)(=O)c2c(CC)nn(C)c2CC)s1 ZINC000159627961 539516808 /nfs/dbraw/zinc/51/68/08/539516808.db2.gz LZELDYVFVOEOFV-UHFFFAOYSA-N 0 2 328.463 2.365 20 70 EEIDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(C(C)C)n[nH]1 ZINC000159662486 539517560 /nfs/dbraw/zinc/51/75/60/539517560.db2.gz FKXAFJQOJPEOEQ-UHFFFAOYSA-N 0 2 325.438 2.192 20 70 EEIDLN O=C(c1cc(F)cc(Cl)c1O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000160580579 304493016 /nfs/dbraw/zinc/49/30/16/304493016.db2.gz UNSLHNDIGKUWFZ-NEPJUHHUSA-N 0 2 326.755 2.068 20 70 EEIDLN Cc1cc(NC(=O)C2=NN(c3ccc(F)cc3C)CC2=O)c[nH]c1=O ZINC000159577510 311342904 /nfs/dbraw/zinc/34/29/04/311342904.db2.gz XPCHWVGWCFMOOR-UHFFFAOYSA-N 0 2 342.330 2.274 20 70 EEIDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ncnc2c1CCCC2 ZINC000160563596 463350055 /nfs/dbraw/zinc/35/00/55/463350055.db2.gz MHJHXZUGIBYWOG-UHFFFAOYSA-N 0 2 327.413 2.290 20 70 EEIDLN O=S(=O)(Nc1nnc(C(F)F)s1)c1ccc2c(c1)CCO2 ZINC000160484395 206300771 /nfs/dbraw/zinc/30/07/71/206300771.db2.gz NPBNUKBBMJKYDS-UHFFFAOYSA-N 0 2 333.341 2.211 20 70 EEIDLN O=C(c1nc(=O)[nH][nH]1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000160501322 311354761 /nfs/dbraw/zinc/35/47/61/311354761.db2.gz YNRNQOKAZQMPRT-UHFFFAOYSA-N 0 2 338.289 2.046 20 70 EEIDLN COCCc1noc(CN(C)C(=O)c2cc(F)cc(Cl)c2O)n1 ZINC000160612346 206305681 /nfs/dbraw/zinc/30/56/81/206305681.db2.gz SWTDRFCLHCTKKS-UHFFFAOYSA-N 0 2 343.742 2.029 20 70 EEIDLN CCCCN1CCc2ccc(NS(=O)(=O)c3cnn(C)c3)cc21 ZINC000160203690 528487002 /nfs/dbraw/zinc/48/70/02/528487002.db2.gz DYRMUGLGCRMVRT-UHFFFAOYSA-N 0 2 334.445 2.384 20 70 EEIDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1Cl ZINC000160477602 311354640 /nfs/dbraw/zinc/35/46/40/311354640.db2.gz MWVLIIJLEOWYCS-UHFFFAOYSA-N 0 2 342.808 2.439 20 70 EEIDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2C)cc1Cl ZINC000160477602 311354641 /nfs/dbraw/zinc/35/46/41/311354641.db2.gz MWVLIIJLEOWYCS-UHFFFAOYSA-N 0 2 342.808 2.439 20 70 EEIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(C(C)C)n[nH]1 ZINC000160651050 463358863 /nfs/dbraw/zinc/35/88/63/463358863.db2.gz FXRGQNLLLAFQCQ-UHFFFAOYSA-N 0 2 341.364 2.260 20 70 EEIDLN CCCCc1cc(NS(=O)(=O)c2cccc(C(=O)OC)c2)[nH]n1 ZINC000159933735 529016927 /nfs/dbraw/zinc/01/69/27/529016927.db2.gz NIFDGQZRIXNNAO-UHFFFAOYSA-N 0 2 337.401 2.340 20 70 EEIDLN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3[nH]nc(C)c3C)ccc21 ZINC000160478066 539522305 /nfs/dbraw/zinc/52/23/05/539522305.db2.gz RJQDKLBITBBDAE-UHFFFAOYSA-N 0 2 348.428 2.126 20 70 EEIDLN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3n[nH]c(C)c3C)ccc21 ZINC000160478066 539522309 /nfs/dbraw/zinc/52/23/09/539522309.db2.gz RJQDKLBITBBDAE-UHFFFAOYSA-N 0 2 348.428 2.126 20 70 EEIDLN CCCCCN(C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)[C@@H](C)CCC ZINC000161299940 463418151 /nfs/dbraw/zinc/41/81/51/463418151.db2.gz ZPJBOVQKUYAKGG-LBPRGKRZSA-N 0 2 346.431 2.432 20 70 EEIDLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ncc(C(N)=O)s2)s1 ZINC000160318074 526788744 /nfs/dbraw/zinc/78/87/44/526788744.db2.gz QWERYXFMMYEBCK-UHFFFAOYSA-N 0 2 345.471 2.402 20 70 EEIDLN CC(C)Oc1cncc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c1 ZINC000161395183 539526668 /nfs/dbraw/zinc/52/66/68/539526668.db2.gz DSAMANIQJYXBEI-UHFFFAOYSA-N 0 2 340.339 2.464 20 70 EEIDLN Cc1ccc(-c2n[nH]c(NC(=O)Cc3c(C)nc(C)[nH]c3=O)c2C)o1 ZINC000161422314 463430182 /nfs/dbraw/zinc/43/01/82/463430182.db2.gz UXUNPTBLZOYEKI-UHFFFAOYSA-N 0 2 341.371 2.168 20 70 EEIDLN COc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)cc1F ZINC000160478093 311354755 /nfs/dbraw/zinc/35/47/55/311354755.db2.gz CDEYWSRNJLVKRW-UHFFFAOYSA-N 0 2 339.320 2.424 20 70 EEIDLN O=C(c1cc(F)cc(Cl)c1O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000159408588 463284516 /nfs/dbraw/zinc/28/45/16/463284516.db2.gz YSIJQJGBEQGARH-STQMWFEESA-N 0 2 329.755 2.205 20 70 EEIDLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCNC(=O)C1 ZINC000160211309 534654676 /nfs/dbraw/zinc/65/46/76/534654676.db2.gz LTMNDWWRJAKXLH-UHFFFAOYSA-N 0 2 330.771 2.285 20 70 EEIDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](CO)CC(C)C)=N1 ZINC000160681146 311357494 /nfs/dbraw/zinc/35/74/94/311357494.db2.gz GHLGLJIXPLXYSY-ZDUSSCGKSA-N 0 2 335.379 2.162 20 70 EEIDLN CCn1cc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cn1 ZINC000161122781 311362393 /nfs/dbraw/zinc/36/23/93/311362393.db2.gz WQFUFWQSQLTMMV-UHFFFAOYSA-N 0 2 335.307 2.444 20 70 EEIDLN CC1(C)CCCC[C@H]1CC(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000160381133 463332992 /nfs/dbraw/zinc/33/29/92/463332992.db2.gz KXINVEKDNLPXKN-VIFPVBQESA-N 0 2 346.478 2.455 20 70 EEIDLN O=C(c1cc(F)cc(Cl)c1O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000159408727 463284687 /nfs/dbraw/zinc/28/46/87/463284687.db2.gz YSIJQJGBEQGARH-QWHCGFSZSA-N 0 2 329.755 2.205 20 70 EEIDLN COC(=O)c1cccc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c1C ZINC000160643258 463358934 /nfs/dbraw/zinc/35/89/34/463358934.db2.gz NANUJOZADGHWFE-UHFFFAOYSA-N 0 2 337.401 2.429 20 70 EEIDLN O=C(N[C@H](CO)c1ccccc1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000161053377 463395179 /nfs/dbraw/zinc/39/51/79/463395179.db2.gz IFQCRGYXYDRACO-OAHLLOKOSA-N 0 2 341.342 2.180 20 70 EEIDLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cc(C(C)C)n[nH]1 ZINC000160651740 463359009 /nfs/dbraw/zinc/35/90/09/463359009.db2.gz HZVCYSIJAANYCU-UHFFFAOYSA-N 0 2 337.401 2.429 20 70 EEIDLN CCc1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)n(C)n1 ZINC000159729217 311345141 /nfs/dbraw/zinc/34/51/41/311345141.db2.gz JPMFAPQYKHUIJB-UHFFFAOYSA-N 0 2 348.428 2.013 20 70 EEIDLN COc1ccc(N2CC(=O)C(C(=O)N[C@H]3CCOC(C)(C)C3)=N2)cc1 ZINC000160982825 463388561 /nfs/dbraw/zinc/38/85/61/463388561.db2.gz TYNVOPZCHGWUQR-LBPRGKRZSA-N 0 2 345.399 2.274 20 70 EEIDLN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(-c4nc[nH]n4)c3)n2)o1 ZINC000160340535 463330192 /nfs/dbraw/zinc/33/01/92/463330192.db2.gz GCHFMAMJVLQVTR-UHFFFAOYSA-N 0 2 335.327 2.411 20 70 EEIDLN CCOC(=O)C[C@@H](C)NC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000160531099 463347081 /nfs/dbraw/zinc/34/70/81/463347081.db2.gz RJVIBEGTVBAJLV-LLVKDONJSA-N 0 2 349.362 2.097 20 70 EEIDLN CCOCCOc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1 ZINC000160500596 311354730 /nfs/dbraw/zinc/35/47/30/311354730.db2.gz OVYNPCZIVFFXJB-UHFFFAOYSA-N 0 2 339.417 2.243 20 70 EEIDLN CCOCCOc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2C)cc1 ZINC000160500596 311354732 /nfs/dbraw/zinc/35/47/32/311354732.db2.gz OVYNPCZIVFFXJB-UHFFFAOYSA-N 0 2 339.417 2.243 20 70 EEIDLN O=C(c1cc(F)cc(Cl)c1O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000159408881 463284505 /nfs/dbraw/zinc/28/45/05/463284505.db2.gz YSIJQJGBEQGARH-OLZOCXBDSA-N 0 2 329.755 2.205 20 70 EEIDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nnc(C2CC2)s1 ZINC000159650829 539517805 /nfs/dbraw/zinc/51/78/05/539517805.db2.gz LYHBTKPBTQVBDT-UHFFFAOYSA-N 0 2 341.462 2.075 20 70 EEIDLN CCCCc1cc(NS(=O)(=O)c2cccc3c2OCCO3)[nH]n1 ZINC000159952412 206271705 /nfs/dbraw/zinc/27/17/05/206271705.db2.gz HPITVXFZNAGSPP-UHFFFAOYSA-N 0 2 337.401 2.324 20 70 EEIDLN COc1ccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)cc1 ZINC000160226802 206285397 /nfs/dbraw/zinc/28/53/97/206285397.db2.gz GRXHXMWEPOJFFQ-UHFFFAOYSA-N 0 2 335.307 2.255 20 70 EEIDLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(C(C)C)n[nH]3)cc21 ZINC000160652742 463358583 /nfs/dbraw/zinc/35/85/83/463358583.db2.gz XZITUIHSAPIYJR-UHFFFAOYSA-N 0 2 348.428 2.243 20 70 EEIDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](CO)CC(C)C)=N1 ZINC000160681270 311357213 /nfs/dbraw/zinc/35/72/13/311357213.db2.gz GHLGLJIXPLXYSY-CYBMUJFWSA-N 0 2 335.379 2.162 20 70 EEIDLN COC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)ccc1C ZINC000160658699 311357011 /nfs/dbraw/zinc/35/70/11/311357011.db2.gz UQCOTVIGCSXUHS-UHFFFAOYSA-N 0 2 337.401 2.429 20 70 EEIDLN CCCCc1cc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)[nH]n1 ZINC000159939863 311348412 /nfs/dbraw/zinc/34/84/12/311348412.db2.gz WDYGHALEUDYBLZ-UHFFFAOYSA-N 0 2 348.432 2.143 20 70 EEIDLN COCCOc1cccc(CC(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC000160088874 311349607 /nfs/dbraw/zinc/34/96/07/311349607.db2.gz TTWAGGZUDONJKE-UHFFFAOYSA-N 0 2 326.356 2.164 20 70 EEIDLN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cccc(Cl)c1F ZINC000159552371 225237388 /nfs/dbraw/zinc/23/73/88/225237388.db2.gz PNKVPMRKTARFJG-UHFFFAOYSA-N 0 2 339.754 2.379 20 70 EEIDLN COc1ccc(-c2n[nH]c(NC(=O)CC(F)(F)F)n2)c(OC)c1 ZINC000160125465 311350467 /nfs/dbraw/zinc/35/04/67/311350467.db2.gz DJXWSORHFLUBOY-UHFFFAOYSA-N 0 2 330.266 2.380 20 70 EEIDLN C[NH+](C)CCN(C(=O)NCCc1cn2ccccc2[nH+]1)C1CCCC1 ZINC000159760569 311345616 /nfs/dbraw/zinc/34/56/16/311345616.db2.gz PKMNHVMNMAKBAJ-UHFFFAOYSA-N 0 2 343.475 2.393 20 70 EEIDLN CCOC(=O)C[C@H](C)NC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000160531242 463346879 /nfs/dbraw/zinc/34/68/79/463346879.db2.gz RJVIBEGTVBAJLV-NSHDSACASA-N 0 2 349.362 2.097 20 70 EEIDLN CCCCc1cc(NS(=O)(=O)c2c(CC)nn(C)c2CC)[nH]n1 ZINC000159673268 539518174 /nfs/dbraw/zinc/51/81/74/539518174.db2.gz PSOHQXDTKFLFIQ-UHFFFAOYSA-N 0 2 339.465 2.411 20 70 EEIDLN COc1ccc(N2CC(=O)C(C(=O)NCCc3ccco3)=N2)cc1 ZINC000160013841 463313805 /nfs/dbraw/zinc/31/38/05/463313805.db2.gz ORBPMINATRKLPL-UHFFFAOYSA-N 0 2 327.340 2.152 20 70 EEIDLN Cc1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)nn1C ZINC000161510328 463435766 /nfs/dbraw/zinc/43/57/66/463435766.db2.gz TVKWHGLSVIXZBY-UHFFFAOYSA-N 0 2 335.307 2.428 20 70 EEIDLN CC(C)(C(=O)NCc1n[nH]c(=O)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000160119247 311350068 /nfs/dbraw/zinc/35/00/68/311350068.db2.gz ZIIWXAQPUMHFSE-UHFFFAOYSA-N 0 2 336.395 2.359 20 70 EEIDLN CCc1c(NS(=O)(=O)c2cnn(CC)c2)cnn1CC(C)C ZINC000160369493 539521048 /nfs/dbraw/zinc/52/10/48/539521048.db2.gz WRGMXWPYNILSFX-UHFFFAOYSA-N 0 2 325.438 2.119 20 70 EEIDLN O=C(c1cc(F)cc(Cl)c1O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000160580406 304493359 /nfs/dbraw/zinc/49/33/59/304493359.db2.gz UNSLHNDIGKUWFZ-RYUDHWBXSA-N 0 2 326.755 2.068 20 70 EEIDLN CC1(C)CCC(CC(=O)Nc2nnc(NS(C)(=O)=O)s2)CC1 ZINC000160382403 280924444 /nfs/dbraw/zinc/92/44/44/280924444.db2.gz AXQLUVJICUZLLB-UHFFFAOYSA-N 0 2 346.478 2.455 20 70 EEIDLN O=C(N[C@@H](CO)c1ccccc1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000161053507 463395570 /nfs/dbraw/zinc/39/55/70/463395570.db2.gz IFQCRGYXYDRACO-HNNXBMFYSA-N 0 2 341.342 2.180 20 70 EEIDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccnn1C(C)C ZINC000159583734 539517164 /nfs/dbraw/zinc/51/71/64/539517164.db2.gz QNFZXGZWHYFTLU-UHFFFAOYSA-N 0 2 325.438 2.123 20 70 EEIDLN CCCCCN(C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)[C@H](C)CCC ZINC000161300030 463417955 /nfs/dbraw/zinc/41/79/55/463417955.db2.gz ZPJBOVQKUYAKGG-GFCCVEGCSA-N 0 2 346.431 2.432 20 70 EEIDLN CCc1ccc(S(=O)(=O)Nc2ccn(CCOC)n2)cc1CC ZINC000160097798 529699340 /nfs/dbraw/zinc/69/93/40/529699340.db2.gz UJEKUEMOHXAHKU-UHFFFAOYSA-N 0 2 337.445 2.455 20 70 EEIDLN CCCCc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)[nH]n1 ZINC000159949866 311348499 /nfs/dbraw/zinc/34/84/99/311348499.db2.gz JOQDGSHQVGFROA-UHFFFAOYSA-N 0 2 337.401 2.324 20 70 EEIDLN COc1ccsc1S(=O)(=O)Nc1cccnc1-n1cccn1 ZINC000159609188 463295099 /nfs/dbraw/zinc/29/50/99/463295099.db2.gz PMLGUXSYDGMRGX-UHFFFAOYSA-N 0 2 336.398 2.138 20 70 EEIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc2n[nH]cc2c1 ZINC000160920672 311360122 /nfs/dbraw/zinc/36/01/22/311360122.db2.gz SXQMEOXXFDLAQU-UHFFFAOYSA-N 0 2 349.343 2.289 20 70 EEIDLN CN(CCNC(=O)C1=NN(c2ccccc2)CC1=O)c1ccccc1 ZINC000217034542 160216532 /nfs/dbraw/zinc/21/65/32/160216532.db2.gz QUMNDVHFRAAHRQ-UHFFFAOYSA-N 0 2 336.395 2.444 20 70 EEIDLN O=C(c1cc(F)cc(Cl)c1O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000160580704 304493472 /nfs/dbraw/zinc/49/34/72/304493472.db2.gz UNSLHNDIGKUWFZ-NWDGAFQWSA-N 0 2 326.755 2.068 20 70 EEIDLN Cc1n[nH]c(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1C ZINC000160493235 311354744 /nfs/dbraw/zinc/35/47/44/311354744.db2.gz MRRIDWKCLOMHJS-UHFFFAOYSA-N 0 2 334.401 2.057 20 70 EEIDLN Cc1[nH]nc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1C ZINC000160493235 311354746 /nfs/dbraw/zinc/35/47/46/311354746.db2.gz MRRIDWKCLOMHJS-UHFFFAOYSA-N 0 2 334.401 2.057 20 70 EEIDLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(C)cs2)c1 ZINC000159479894 529170500 /nfs/dbraw/zinc/17/05/00/529170500.db2.gz BOWGMWJQJTWUMG-UHFFFAOYSA-N 0 2 346.455 2.046 20 70 EEIDLN CC(=O)N1c2ccc(S(=O)(=O)Nc3[nH]nc(C)c3C)cc2C[C@@H]1C ZINC000160486508 311354814 /nfs/dbraw/zinc/35/48/14/311354814.db2.gz YODJHPUHNZTPSU-VIFPVBQESA-N 0 2 348.428 2.125 20 70 EEIDLN CC(=O)N1c2ccc(S(=O)(=O)Nc3n[nH]c(C)c3C)cc2C[C@@H]1C ZINC000160486508 311354815 /nfs/dbraw/zinc/35/48/15/311354815.db2.gz YODJHPUHNZTPSU-VIFPVBQESA-N 0 2 348.428 2.125 20 70 EEIDLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)ccc1F ZINC000160650291 463358815 /nfs/dbraw/zinc/35/88/15/463358815.db2.gz GGBZCHCDONHWGY-UHFFFAOYSA-N 0 2 340.380 2.431 20 70 EEIDLN COC(=O)CN(C(=O)C1=NN(c2ccccc2)CC1=O)C1CCCC1 ZINC000160842836 291061931 /nfs/dbraw/zinc/06/19/31/291061931.db2.gz QPLRJNQFBNYZNX-UHFFFAOYSA-N 0 2 343.383 2.136 20 70 EEIDLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cn[nH]c2)c1 ZINC000159714844 311345292 /nfs/dbraw/zinc/34/52/92/311345292.db2.gz DMKFHTIYYDLIRH-UHFFFAOYSA-N 0 2 345.222 2.039 20 70 EEIDLN Cc1cncc(C=CC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000160572610 311356036 /nfs/dbraw/zinc/35/60/36/311356036.db2.gz MKIKNNNXVLDHMN-ONEGZZNKSA-N 0 2 340.408 2.360 20 70 EEIDLN NC(=O)c1cccc(S(=O)(=O)Nc2nccc3sccc32)c1 ZINC000160932862 463384076 /nfs/dbraw/zinc/38/40/76/463384076.db2.gz XVHCDTPFBHGBLX-UHFFFAOYSA-N 0 2 333.394 2.196 20 70 EEIDLN CCCc1nnc(NS(=O)(=O)c2c(CC)nn(C)c2CC)s1 ZINC000159651950 539517957 /nfs/dbraw/zinc/51/79/57/539517957.db2.gz NRKWPYMIAOWNLY-UHFFFAOYSA-N 0 2 343.478 2.150 20 70 EEIDLN O=C(c1cc(F)cc(Cl)c1O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000159409015 463284836 /nfs/dbraw/zinc/28/48/36/463284836.db2.gz YSIJQJGBEQGARH-CHWSQXEVSA-N 0 2 329.755 2.205 20 70 EEIDLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(C)n(C)n3)cc2F)c1 ZINC000161506973 463435987 /nfs/dbraw/zinc/43/59/87/463435987.db2.gz DVQHSGLWIYZSCC-UHFFFAOYSA-N 0 2 349.391 2.163 20 70 EEIDLN CC(=O)c1ccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)cc1 ZINC000160226961 311351258 /nfs/dbraw/zinc/35/12/58/311351258.db2.gz UBMKIXPJZWGQME-UHFFFAOYSA-N 0 2 347.318 2.449 20 70 EEIDLN COc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(C)n1 ZINC000160675530 311357378 /nfs/dbraw/zinc/35/73/78/311357378.db2.gz ALLFTLQOVHIDMN-UHFFFAOYSA-N 0 2 344.396 2.385 20 70 EEIDLN Cc1cc(Oc2ccc(NS(=O)(=O)c3cnn(C)c3)cc2)n[nH]1 ZINC000160684068 311357456 /nfs/dbraw/zinc/35/74/56/311357456.db2.gz RBICUFGRRAABSL-UHFFFAOYSA-N 0 2 333.373 2.045 20 70 EEIDLN CC(C)(C)C(=O)NCC(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000160712848 463364614 /nfs/dbraw/zinc/36/46/14/463364614.db2.gz WHFIEJDZFVODBB-UHFFFAOYSA-N 0 2 332.322 2.416 20 70 EEIDLN CC(=O)c1cccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)c1 ZINC000160242735 311351898 /nfs/dbraw/zinc/35/18/98/311351898.db2.gz ZIKZTJVRZPBZAS-UHFFFAOYSA-N 0 2 347.318 2.449 20 70 EEIDLN O=C(c1cc(F)cc(Cl)c1O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000160580823 463352558 /nfs/dbraw/zinc/35/25/58/463352558.db2.gz UNSLHNDIGKUWFZ-VXGBXAGGSA-N 0 2 326.755 2.068 20 70 EEIDLN CCc1cnc(NS(=O)(=O)c2cccc(F)c2C(=O)OC)s1 ZINC000160961043 311360519 /nfs/dbraw/zinc/36/05/19/311360519.db2.gz IYXCBNGNFXZXOZ-UHFFFAOYSA-N 0 2 344.389 2.432 20 70 EEIDLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H]3CCOC(C)(C)C3)=N2)cc1 ZINC000160982694 463388305 /nfs/dbraw/zinc/38/83/05/463388305.db2.gz TYNVOPZCHGWUQR-GFCCVEGCSA-N 0 2 345.399 2.274 20 70 EEIDLN COc1ccsc1S(=O)(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000159761850 225274300 /nfs/dbraw/zinc/27/43/00/225274300.db2.gz NVFBXHAESCGUAD-UHFFFAOYSA-N 0 2 340.426 2.386 20 70 EEIDLN COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cccc2[nH]c[nH+]c21 ZINC000160960780 311360430 /nfs/dbraw/zinc/36/04/30/311360430.db2.gz NGFPYOUVWOPQJL-UHFFFAOYSA-N 0 2 349.343 2.289 20 70 EEIDLN Cc1cc(Cl)ccc1C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000160248649 463323459 /nfs/dbraw/zinc/32/34/59/463323459.db2.gz RLRVRJSSEILZMM-UHFFFAOYSA-N 0 2 346.821 2.124 20 70 EEIDLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nncs3)cc(Cl)c2O1 ZINC000160557078 463349761 /nfs/dbraw/zinc/34/97/61/463349761.db2.gz NLTOVWYRGAWEEP-ZCFIWIBFSA-N 0 2 331.806 2.316 20 70 EEIDLN CC(C)(C(=O)Nc1nnc(NS(C)(=O)=O)s1)C1CCCC1 ZINC000160764864 463367842 /nfs/dbraw/zinc/36/78/42/463367842.db2.gz KAAKKIVOOBRTDZ-UHFFFAOYSA-N 0 2 332.451 2.065 20 70 EEIDLN CC(C)c1ccc(CC2CCN(C(=O)c3nc(=O)[nH][nH]3)CC2)cc1 ZINC000159368493 311340454 /nfs/dbraw/zinc/34/04/54/311340454.db2.gz BVRNIBRRWSHEEG-UHFFFAOYSA-N 0 2 328.416 2.316 20 70 EEIDLN O=C(/C=C/c1ccc2c(c1)CCO2)NS(=O)(=O)c1ccsc1 ZINC000159805574 311346701 /nfs/dbraw/zinc/34/67/01/311346701.db2.gz LGAAKWWKEXPODX-DUXPYHPUSA-N 0 2 335.406 2.201 20 70 EEIDLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c1 ZINC000160642957 463359140 /nfs/dbraw/zinc/35/91/40/463359140.db2.gz UAAVUXJMEQQNJF-UHFFFAOYSA-N 0 2 341.364 2.260 20 70 EEIDLN