smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cccs1 ZINC000005017893 471483133 /nfs/dbraw/zinc/48/31/33/471483133.db2.gz KJZKBSOEYAJTRZ-YRNVUSSQSA-N 0 2 342.332 2.984 40 10 EFCBLN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)S1 ZINC000006262356 471537845 /nfs/dbraw/zinc/53/78/45/471537845.db2.gz HRLHGFDXCYGURM-RUDMXATFSA-N 0 2 331.180 2.805 40 10 EFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C ZINC000016282815 471929505 /nfs/dbraw/zinc/92/95/05/471929505.db2.gz YQWRHNUSPBPLSG-RVDMUPIBSA-N 0 2 336.347 2.670 40 10 EFCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000408785654 476973672 /nfs/dbraw/zinc/97/36/72/476973672.db2.gz XQXRGAMEIBJFPU-XYOKQWHBSA-N 0 2 342.738 2.712 40 10 EFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)c1C ZINC000408899133 476974407 /nfs/dbraw/zinc/97/44/07/476974407.db2.gz ZJZUOTVAHUZWNE-GXDHUFHOSA-N 0 2 336.347 2.675 40 10 EFCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cccc(Cl)c1 ZINC000408867736 476973506 /nfs/dbraw/zinc/97/35/06/476973506.db2.gz MSPMFKYHDLIGBG-NTEUORMPSA-N 0 2 342.738 2.712 40 10 EFCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1F ZINC000408907982 476974077 /nfs/dbraw/zinc/97/40/77/476974077.db2.gz ABKSGQHOJSNLSY-MDWZMJQESA-N 0 2 328.274 2.631 40 10 EFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNN3CCCCC3)C2=O)cc1C ZINC000001828326 1094561212 /nfs/dbraw/zinc/56/12/12/1094561212.db2.gz SACDEIIESXEMIM-RVDMUPIBSA-N 0 2 342.399 2.601 40 10 EFCBLN COc1ccccc1NS(=O)(=O)c1c2nsnc2ccc1C ZINC000000175893 471331570 /nfs/dbraw/zinc/33/15/70/471331570.db2.gz PNKXYCJYABKXOT-UHFFFAOYSA-N 0 2 335.410 2.809 40 10 EFCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1F ZINC000005716834 471517411 /nfs/dbraw/zinc/51/74/11/471517411.db2.gz UWLNVRUFLPKVFD-UKTHLTGXSA-N 0 2 328.274 2.631 40 10 EFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)cc1C ZINC000408780900 476973166 /nfs/dbraw/zinc/97/31/66/476973166.db2.gz MUVFJOZXRPZRBX-XNTDXEJSSA-N 0 2 336.347 2.675 40 10 EFCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(O)c1 ZINC000408937807 476975232 /nfs/dbraw/zinc/97/52/32/476975232.db2.gz OYRMTJGZYURMBM-XFXZXTDPSA-N 0 2 342.738 2.712 40 10 EFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CC)C2=O)cc1 ZINC000408932668 476975905 /nfs/dbraw/zinc/97/59/05/476975905.db2.gz DJOYGKAALUDUOW-FOWTUZBSSA-N 0 2 337.379 2.737 40 10 EFCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cccn2C)C1=O ZINC000409233071 476981558 /nfs/dbraw/zinc/98/15/58/476981558.db2.gz JSAIYBLQWZIBPY-FMIVXFBMSA-N 0 2 343.770 2.653 40 10 EFCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000409203491 304656716 /nfs/dbraw/zinc/65/67/16/304656716.db2.gz WQUNTSZXAJGRBO-NTEUORMPSA-N 0 2 342.738 2.712 40 10 EFCBLN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000000359868 471350345 /nfs/dbraw/zinc/35/03/45/471350345.db2.gz PXQXANSEPDZASE-NTEUORMPSA-N 0 2 343.726 2.710 40 10 EFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cccs2)C1=O ZINC000000452686 471362661 /nfs/dbraw/zinc/36/26/61/471362661.db2.gz ZQEQKCQLCQRCDK-ZRDIBKRKSA-N 0 2 342.376 2.813 40 10 EFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccs3)C2=O)cc1 ZINC000005713348 471517116 /nfs/dbraw/zinc/51/71/16/471517116.db2.gz KLVXPKKGTZFEGJ-GXDHUFHOSA-N 0 2 342.376 2.813 40 10 EFCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000408880047 476973439 /nfs/dbraw/zinc/97/34/39/476973439.db2.gz GSHJUVGNOPFNCI-UKTHLTGXSA-N 0 2 342.738 2.712 40 10 EFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(O)c3)C2=O)c(C)c1 ZINC000408935662 476975189 /nfs/dbraw/zinc/97/51/89/476975189.db2.gz ILDOXGRAMWBQKG-GDNBJRDFSA-N 0 2 336.347 2.675 40 10 EFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(C)o2)C1=O ZINC000409221447 476979854 /nfs/dbraw/zinc/97/98/54/476979854.db2.gz QJZPNYPUARKPOS-JLHYYAGUSA-N 0 2 340.335 2.653 40 10 EFCBLN CCOc1ccncc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC000585140443 479297479 /nfs/dbraw/zinc/29/74/79/479297479.db2.gz DUYWBVUVLWAIRI-UHFFFAOYSA-N 0 2 347.440 2.881 40 10 EFCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=CNCc3ccco3)C2=O)c1 ZINC000103101303 1416762502 /nfs/dbraw/zinc/76/25/02/1416762502.db2.gz NDZYJBGZMAJBMW-XNTDXEJSSA-N 0 2 339.351 2.993 40 10 EFCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)c1 ZINC000408881667 301547425 /nfs/dbraw/zinc/54/74/25/301547425.db2.gz MAQOBMFJSRBRDF-XNTDXEJSSA-N 0 2 336.347 2.675 40 10 EFCBLN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000005583332 471511910 /nfs/dbraw/zinc/51/19/10/471511910.db2.gz AAXSWXUVQSDDGX-LCYFTJDESA-N 0 2 343.726 2.710 40 10 EFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccco3)C2=O)cc1Cl ZINC000005893770 471523863 /nfs/dbraw/zinc/52/38/63/471523863.db2.gz CYZLYHHQWPPPIM-FLIBITNWSA-N 0 2 346.726 2.608 40 10 EFCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Br)s1 ZINC000033731555 471986286 /nfs/dbraw/zinc/98/62/86/471986286.db2.gz HGHXEUPSUNCVIH-FLIBITNWSA-N 0 2 349.209 2.972 40 10 EFCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408810161 476973336 /nfs/dbraw/zinc/97/33/36/476973336.db2.gz TTXWZWPUYCWSAA-NTCAYCPXSA-N 0 2 336.347 2.752 40 10 EFCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 ZINC000408884667 476973427 /nfs/dbraw/zinc/97/34/27/476973427.db2.gz VGYVHLLKCCYJLX-FOWTUZBSSA-N 0 2 336.347 2.752 40 10 EFCBLN CCSc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)ccn1 ZINC000053756723 214196705 /nfs/dbraw/zinc/19/67/05/214196705.db2.gz QIVLCKZYYQTRRI-UHFFFAOYSA-N 0 2 333.369 2.737 40 10 EFCBLN Cc1ccc(N2NC(=O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc1Cl ZINC000226095709 242089847 /nfs/dbraw/zinc/08/98/47/242089847.db2.gz HONDJASTOAUSTJ-YRNVUSSQSA-N 0 2 347.714 2.611 40 10 EFCBLN COc1cccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c1O ZINC000038184646 132396636 /nfs/dbraw/zinc/39/66/36/132396636.db2.gz MLXPNJIFQGKOFI-RAXLEYEMSA-N 0 2 338.319 2.908 40 10 EFCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1c2c(ccc1Cl)OCO2 ZINC000005603849 471512757 /nfs/dbraw/zinc/51/27/57/471512757.db2.gz GPCHEPGJMFJNNW-WQLSENKSSA-N 0 2 342.738 2.530 40 10 EFCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1Cl ZINC000108083065 473000174 /nfs/dbraw/zinc/00/01/74/473000174.db2.gz HEWHUZVZLOJWMN-JYRVWZFOSA-N 0 2 343.726 2.710 40 10 EFCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccc(F)c1 ZINC000408909365 476973794 /nfs/dbraw/zinc/97/37/94/476973794.db2.gz GTOBSLOSEMXDFS-RIYZIHGNSA-N 0 2 328.274 2.631 40 10 EFCBLN CCn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408965943 476974670 /nfs/dbraw/zinc/97/46/70/476974670.db2.gz XVRVFXQFJIELNB-GXDHUFHOSA-N 0 2 343.770 2.828 40 10 EFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccsc2)C1=O ZINC000409234707 476981200 /nfs/dbraw/zinc/98/12/00/476981200.db2.gz XLIKFHRSEPSKLH-FMIVXFBMSA-N 0 2 342.376 2.813 40 10 EFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNCc2ccccc2)C1=O ZINC000408530148 242551595 /nfs/dbraw/zinc/55/15/95/242551595.db2.gz ITVSPZXCLBONSV-DTQAZKPQSA-N 0 2 349.390 2.506 40 10 EFCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000408884337 476973541 /nfs/dbraw/zinc/97/35/41/476973541.db2.gz UBPGOEJCZJAVDE-LFIBNONCSA-N 0 2 336.347 2.670 40 10 EFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)c(C)c1 ZINC000408890749 476973733 /nfs/dbraw/zinc/97/37/33/476973733.db2.gz YPLHALMOQPTZLX-XNTDXEJSSA-N 0 2 336.347 2.675 40 10 EFCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000408914409 476974236 /nfs/dbraw/zinc/97/42/36/476974236.db2.gz XUGOEGVFSDFVBB-RIYZIHGNSA-N 0 2 328.274 2.631 40 10 EFCBLN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)S1 ZINC000409084765 476977312 /nfs/dbraw/zinc/97/73/12/476977312.db2.gz QIRWXJWXSNYYBF-YCRREMRBSA-N 0 2 331.180 2.805 40 10 EFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNCc3ccccc3)C2=O)cc1C ZINC000006503800 471547079 /nfs/dbraw/zinc/54/70/79/471547079.db2.gz AMFGIIRHBIZMHW-ATVHPVEESA-N 0 2 349.390 2.560 40 10 EFCBLN O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccncc1 ZINC000016385327 471935244 /nfs/dbraw/zinc/93/52/44/471935244.db2.gz ZRPUSPIAPSSYNJ-YRNVUSSQSA-N 0 2 334.162 2.850 40 10 EFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000408913980 476973267 /nfs/dbraw/zinc/97/32/67/476973267.db2.gz WRJLYNVMDNEWMV-OQLLNIDSSA-N 0 2 340.310 2.501 40 10 EFCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1O ZINC000408890794 476974392 /nfs/dbraw/zinc/97/43/92/476974392.db2.gz ZJHUWTFKCJMPDK-PKNBQFBNSA-N 0 2 342.738 2.712 40 10 EFCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3cccc(O)c3)C2=O)c1 ZINC000408933453 476975955 /nfs/dbraw/zinc/97/59/55/476975955.db2.gz AARGXVLGBOAKIR-GDNBJRDFSA-N 0 2 336.347 2.675 40 10 EFCBLN CN(C)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)o1 ZINC000059135085 472623014 /nfs/dbraw/zinc/62/30/14/472623014.db2.gz UUYIEBBHUIJPEX-UKTHLTGXSA-N 0 2 343.314 2.991 40 10 EFCBLN Cc1cc(O)ccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000096435719 473414778 /nfs/dbraw/zinc/41/47/78/473414778.db2.gz OHEVCGUUUMADPR-UHFFFAOYSA-N 0 2 347.371 2.826 40 10 EFCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccco2)C1=O ZINC000409199921 476980105 /nfs/dbraw/zinc/98/01/05/476980105.db2.gz FRLHCTRKJQVYCJ-DHZHZOJOSA-N 0 2 330.727 2.908 40 10 EFCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNN1CCCCC1 ZINC000008656538 1099027635 /nfs/dbraw/zinc/02/76/35/1099027635.db2.gz VWMYPSYUGGKKJG-ZHACJKMWSA-N 0 2 348.790 2.638 40 10 EFCBLN CCOC(=O)c1oc2c(O)c(O)ccc2c(=O)c1-c1csc(C)n1 ZINC000026571628 1099435172 /nfs/dbraw/zinc/43/51/72/1099435172.db2.gz UPVQQNOGZUQPST-UHFFFAOYSA-N 0 2 347.348 2.813 40 10 EFCBLN O=C(Cc1c[nH]c2ccccc12)NCc1cc([N+](=O)[O-])ccc1O ZINC000035739268 213047100 /nfs/dbraw/zinc/04/71/00/213047100.db2.gz RXCBJOOYXVKGKG-UHFFFAOYSA-N 0 2 325.324 2.641 40 10 EFCBLN Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O ZINC000408996800 257883260 /nfs/dbraw/zinc/88/32/60/257883260.db2.gz NEGUTUUDNAVOEB-XYOKQWHBSA-N 0 2 330.340 2.862 40 10 EFCBLN Cc1ccsc1/C=C1/C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000000105107 302298955 /nfs/dbraw/zinc/29/89/55/302298955.db2.gz HWHGAFQQHAYIKE-WQLSENKSSA-N 0 2 330.340 2.862 40 10 EFCBLN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000000359870 471350395 /nfs/dbraw/zinc/35/03/95/471350395.db2.gz PXQXANSEPDZASE-ZROIWOOFSA-N 0 2 343.726 2.710 40 10 EFCBLN O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccccc1F ZINC000005552786 471509871 /nfs/dbraw/zinc/50/98/71/471509871.db2.gz DFTKABSAPDAZML-WQLSENKSSA-N 0 2 347.396 2.700 40 10 EFCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)CCC2 ZINC000006575374 471551207 /nfs/dbraw/zinc/55/12/07/471551207.db2.gz FSQAYOZDWTXOEK-SFQUDFHCSA-N 0 2 332.359 2.842 40 10 EFCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccco2)C1=O ZINC000409211487 476980256 /nfs/dbraw/zinc/98/02/56/476980256.db2.gz JMCUBZPEFFABOK-XYOKQWHBSA-N 0 2 330.727 2.908 40 10 EFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNCc3ccco3)C2=O)cc1C ZINC000103121876 1416764962 /nfs/dbraw/zinc/76/49/62/1416764962.db2.gz QUDVENBILOBTPH-XNTDXEJSSA-N 0 2 339.351 2.993 40 10 EFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3)C2=O)cc1 ZINC000004692951 471472764 /nfs/dbraw/zinc/47/27/64/471472764.db2.gz MNEQBEAHIJMPEB-VBKFSLOCSA-N 0 2 336.347 2.752 40 10 EFCBLN CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)O1 ZINC000006763571 278299044 /nfs/dbraw/zinc/29/90/44/278299044.db2.gz CAKGZLAQIDJNAV-UHFFFAOYSA-N 0 2 335.312 2.546 40 10 EFCBLN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000000359857 471350781 /nfs/dbraw/zinc/35/07/81/471350781.db2.gz ASBKQMSDFMKPKF-NTUHNPAUSA-N 0 2 342.738 2.530 40 10 EFCBLN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000005671164 471515981 /nfs/dbraw/zinc/51/59/81/471515981.db2.gz OJFSYFMRKCXGDD-MLPAPPSSSA-N 0 2 342.738 2.530 40 10 EFCBLN COc1ccc(Cl)cc1C(=O)NCc1cc([N+](=O)[O-])ccc1O ZINC000036329879 472002262 /nfs/dbraw/zinc/00/22/62/472002262.db2.gz OIAHHWRINUEIOO-UHFFFAOYSA-N 0 2 336.731 2.892 40 10 EFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccc(O)c3)C2=O)c1C ZINC000408935166 476975211 /nfs/dbraw/zinc/97/52/11/476975211.db2.gz HBDFXPQKGKJBBW-GDNBJRDFSA-N 0 2 336.347 2.675 40 10 EFCBLN CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1C ZINC000409098444 476978545 /nfs/dbraw/zinc/97/85/45/476978545.db2.gz OWOPGFDNUAFMNX-LFIBNONCSA-N 0 2 337.379 2.791 40 10 EFCBLN Cc1cc(N2CCCC2)ccc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] ZINC000409322483 476981344 /nfs/dbraw/zinc/98/13/44/476981344.db2.gz XRLKMZZITLVGDO-ALCCZGGFSA-N 0 2 342.355 2.875 40 10 EFCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409401748 476982525 /nfs/dbraw/zinc/98/25/25/476982525.db2.gz ZONRCDYUDVWGKB-WQLSENKSSA-N 0 2 343.726 2.710 40 10 EFCBLN O=C1N=C(NC2CCCC2)SC1=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000208251237 241067256 /nfs/dbraw/zinc/06/72/56/241067256.db2.gz DNBMEMVAPBSYKL-MDWZMJQESA-N 0 2 333.369 2.803 40 10 EFCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccco1 ZINC000006926619 471578106 /nfs/dbraw/zinc/57/81/06/471578106.db2.gz WMBQPAVLDXHRBM-WQLSENKSSA-N 0 2 327.252 2.695 40 10 EFCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)c1 ZINC000059426649 472626696 /nfs/dbraw/zinc/62/66/96/472626696.db2.gz KLTGOUIATAKXCC-XNTDXEJSSA-N 0 2 336.347 2.675 40 10 EFCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(O)cc1 ZINC000059502720 472627541 /nfs/dbraw/zinc/62/75/41/472627541.db2.gz BJAMZBKNKFXNPQ-FMIVXFBMSA-N 0 2 342.738 2.712 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KTEMBUIRDOQSMA-UHFFFAOYSA-N 0 2 335.410 2.891 40 10 EFCBLN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000005569251 471510881 /nfs/dbraw/zinc/51/08/81/471510881.db2.gz IMHXVAAKMKUKFU-ZROIWOOFSA-N 0 2 343.726 2.710 40 10 EFCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNCc3ccccc3)C2=O)c1 ZINC000408535218 476967283 /nfs/dbraw/zinc/96/72/83/476967283.db2.gz YAGJXYXBHUAUNX-FOWTUZBSSA-N 0 2 349.390 2.560 40 10 EFCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1O ZINC000408886363 476973843 /nfs/dbraw/zinc/97/38/43/476973843.db2.gz KHKJDLNEBXLYNZ-MDWZMJQESA-N 0 2 342.738 2.712 40 10 EFCBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNN1CCCCCC1 ZINC000034236838 1099169522 /nfs/dbraw/zinc/16/95/22/1099169522.db2.gz MOZTYRDVTSSDQD-QXMHVHEDSA-N 0 2 346.362 2.513 40 10 EFCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1cccc(F)c1 ZINC000100986863 219112925 /nfs/dbraw/zinc/11/29/25/219112925.db2.gz XNRZUDCZQLRVNM-ZROIWOOFSA-N 0 2 343.289 2.544 40 10 EFCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)OCO2 ZINC000002067560 471401869 /nfs/dbraw/zinc/40/18/69/471401869.db2.gz JXRREARYIBAULF-MDWZMJQESA-N 0 2 336.303 2.922 40 10 EFCBLN Cc1oc2c(O)c(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000005730177 471518442 /nfs/dbraw/zinc/51/84/42/471518442.db2.gz CBBFAFSBIBOBKP-UHFFFAOYSA-N 0 2 326.304 2.951 40 10 EFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1O ZINC000005771211 471520675 /nfs/dbraw/zinc/52/06/75/471520675.db2.gz TYCBYDQIAWIINP-UKTHLTGXSA-N 0 2 342.738 2.712 40 10 EFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2)C1=O ZINC000408528731 476966498 /nfs/dbraw/zinc/96/64/98/476966498.db2.gz ICSVVVMMUAMECK-NTCAYCPXSA-N 0 2 335.363 2.828 40 10 EFCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1C ZINC000408782020 476973637 /nfs/dbraw/zinc/97/36/37/476973637.db2.gz FJBRJBMBOBNPQF-MHWRWJLKSA-N 0 2 337.379 2.617 40 10 EFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2O)C1=O ZINC000408881208 476973987 /nfs/dbraw/zinc/97/39/87/476973987.db2.gz KCUYAJAMXVJFEB-KAMYIIQDSA-N 0 2 336.347 2.621 40 10 EFCBLN 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