smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Cn2cc(C(=O)O)c(=O)c3cc(F)c(F)cc32)c(C)c1 ZINC000070460715 203078775 /nfs/dbraw/zinc/07/87/75/203078775.db2.gz HFEAXPXNBZXOMK-UHFFFAOYSA-N 0 2 343.329 3.643 10 0 EHAELN O=C([O-])c1ccc(C[NH2+]Cc2ccc(Cl)o2)c(Br)c1 ZINC000698142906 976879902 /nfs/dbraw/zinc/87/99/02/976879902.db2.gz VJAJMCQYRGILHA-UHFFFAOYSA-N 0 2 344.592 3.684 10 0 EHAELN CCN(Cc1c(F)cccc1F)C(=O)c1c(O)cc(F)cc1F ZINC000101678393 1026487110 /nfs/dbraw/zinc/48/71/10/1026487110.db2.gz KGIIQSAVTQSTGI-UHFFFAOYSA-N 0 2 327.277 3.611 10 0 EHAELN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@H]4CCC[C@H]43)=N2)cc1 ZINC000330251116 1042555526 /nfs/dbraw/zinc/55/55/26/1042555526.db2.gz NGLACAQLWJHLIH-NVXWUHKLSA-N 0 2 339.439 3.716 10 0 EHAELN CCCC(=O)Nc1ccc(Cc2[nH]c3ccc(C(=O)[O-])cc3[nH+]2)cc1 ZINC000020980702 202059800 /nfs/dbraw/zinc/05/98/00/202059800.db2.gz INYXTIYHQAUUFO-UHFFFAOYSA-N 0 2 337.379 3.591 10 0 EHAELN CCCCc1c(C(=O)[O-])c(C)[nH+]c(C)c1C(=O)Nc1ccccc1 ZINC000196207963 535077151 /nfs/dbraw/zinc/07/71/51/535077151.db2.gz QFSZJAFPNUMSRQ-UHFFFAOYSA-N 0 2 326.396 3.992 10 0 EHAELN CC(C)c1cc(N2CCC(C(=O)[O-])CC2)nc(-c2ccccc2)[nH+]1 ZINC000070452675 203076407 /nfs/dbraw/zinc/07/64/07/203076407.db2.gz WWCMWGKPLPXCIU-UHFFFAOYSA-N 0 2 325.412 3.568 10 0 EHAELN CCc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(-c2cccc(Cl)c2)[nH+]1 ZINC000070452398 203077519 /nfs/dbraw/zinc/07/75/19/203077519.db2.gz YLSVFRALLLXAEW-CYBMUJFWSA-N 0 2 345.830 3.660 10 0 EHAELN C[N@H+](Cc1ccsc1C(=O)[O-])Cc1cscc1Br ZINC000709866710 977471868 /nfs/dbraw/zinc/47/18/68/977471868.db2.gz BFXALCDGLJAJTB-UHFFFAOYSA-N 0 2 346.271 3.902 10 0 EHAELN C[N@@H+](Cc1ccsc1C(=O)[O-])Cc1cscc1Br ZINC000709866710 977471865 /nfs/dbraw/zinc/47/18/65/977471865.db2.gz BFXALCDGLJAJTB-UHFFFAOYSA-N 0 2 346.271 3.902 10 0 EHAELN CCCc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070452311 203077479 /nfs/dbraw/zinc/07/74/79/203077479.db2.gz JHPSUEXVFBGNEK-INIZCTEOSA-N 0 2 339.439 3.706 10 0 EHAELN Cc1cc(N2CCCC[C@@H]2C(=O)[O-])nc(-c2ccc(Cl)cc2)[nH+]1 ZINC000070452249 203077080 /nfs/dbraw/zinc/07/70/80/203077080.db2.gz VEUFELPYNHSAJP-CQSZACIVSA-N 0 2 331.803 3.549 10 0 EHAELN CCCc1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2ccccc2)[nH+]1 ZINC000070452132 203074986 /nfs/dbraw/zinc/07/49/86/203074986.db2.gz HXKINIOZCYAPGV-INIZCTEOSA-N 0 2 325.412 3.540 10 0 EHAELN Cc1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2ccc(Cl)cc2)[nH+]1 ZINC000070452250 203077121 /nfs/dbraw/zinc/07/71/21/203077121.db2.gz VEUFELPYNHSAJP-AWEZNQCLSA-N 0 2 331.803 3.549 10 0 EHAELN O=C(O)c1cn(Cc2c(F)cccc2Cl)c2ccccc2c1=O ZINC000070460662 203078681 /nfs/dbraw/zinc/07/86/81/203078681.db2.gz LVCMJDBFEOVZNP-UHFFFAOYSA-N 0 2 331.730 3.541 10 0 EHAELN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@H]4CCC[C@@H]43)=N2)cc1 ZINC000330251118 1042555479 /nfs/dbraw/zinc/55/54/79/1042555479.db2.gz NGLACAQLWJHLIH-WBVHZDCISA-N 0 2 339.439 3.716 10 0 EHAELN O=C([O-])[C@@H]([NH2+]Cc1cccs1)c1cc(Br)ccc1F ZINC000037966568 202381523 /nfs/dbraw/zinc/38/15/23/202381523.db2.gz RRCICNBXUYFULQ-LBPRGKRZSA-N 0 2 344.205 3.565 10 0 EHAELN CCc1c(C)[nH+]c(-c2ccc(C)cc2)nc1N1CCC[C@H](C(=O)[O-])C1 ZINC000070452317 203076571 /nfs/dbraw/zinc/07/65/71/203076571.db2.gz MPEFYTHKGKPTGW-INIZCTEOSA-N 0 2 339.439 3.624 10 0 EHAELN O=C([O-])[C@H]([NH2+]Cc1cccs1)c1cc(Br)ccc1F ZINC000037966569 202381195 /nfs/dbraw/zinc/38/11/95/202381195.db2.gz RRCICNBXUYFULQ-GFCCVEGCSA-N 0 2 344.205 3.565 10 0 EHAELN CCc1c(C)[nH+]c(-c2ccc(C)cc2)nc1N1CCCC[C@@H]1C(=O)[O-] ZINC000070452151 203075907 /nfs/dbraw/zinc/07/59/07/203075907.db2.gz POUSOKLAENXLLL-QGZVFWFLSA-N 0 2 339.439 3.766 10 0 EHAELN CC(C)c1nn2c(nc(CSc3cccc(F)c3F)cc2=O)[nH]1 ZINC000103236988 204069588 /nfs/dbraw/zinc/06/95/88/204069588.db2.gz GCVSEUGOYPGLRZ-UHFFFAOYSA-N 0 2 336.367 3.524 10 0 EHAELN C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1cccc(Cl)c1Br ZINC000719414051 969105385 /nfs/dbraw/zinc/10/53/85/969105385.db2.gz QWJFCOCUESNUSS-CYBMUJFWSA-N 0 2 332.625 3.542 10 0 EHAELN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cccc(Cl)c1Br ZINC000719414051 969105388 /nfs/dbraw/zinc/10/53/88/969105388.db2.gz QWJFCOCUESNUSS-CYBMUJFWSA-N 0 2 332.625 3.542 10 0 EHAELN C=Cc1ccc(Cn2cc(C(=O)O)c(=O)c3cc(F)c(F)cc32)cc1 ZINC000070460720 203078352 /nfs/dbraw/zinc/07/83/52/203078352.db2.gz LHSFOWJRBPKSTQ-UHFFFAOYSA-N 0 2 341.313 3.669 10 0 EHAELN Nc1ccccc1NC(=O)c1ccc(Cn2cc3ccccc3n2)cc1 ZINC000034891296 201389049 /nfs/dbraw/zinc/38/90/49/201389049.db2.gz MDUXXGZBTMGMOH-UHFFFAOYSA-N 0 2 342.402 3.919 10 0 EHAELN Cc1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2cccc(Cl)c2)[nH+]1 ZINC000070452230 203075317 /nfs/dbraw/zinc/07/53/17/203075317.db2.gz HVYJVFITBRYLKU-AWEZNQCLSA-N 0 2 331.803 3.549 10 0 EHAELN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@@H]4CCC[C@@H]43)=N2)cc1 ZINC000330251117 1042554903 /nfs/dbraw/zinc/55/49/03/1042554903.db2.gz NGLACAQLWJHLIH-RDJZCZTQSA-N 0 2 339.439 3.716 10 0 EHAELN CC(C)c1cc(N2CCCC[C@@H]2C(=O)[O-])nc(-c2ccc(F)cc2)[nH+]1 ZINC000070452239 203076789 /nfs/dbraw/zinc/07/67/89/203076789.db2.gz SOIBVCCQRBOZTF-MRXNPFEDSA-N 0 2 343.402 3.850 10 0 EHAELN O=C([O-])C[N@H+](Cc1csc(Br)c1)Cc1ccccc1 ZINC000692435580 976474923 /nfs/dbraw/zinc/47/49/23/976474923.db2.gz CFTHCOYXTLJCTI-UHFFFAOYSA-N 0 2 340.242 3.597 10 0 EHAELN O=C([O-])C[N@@H+](Cc1csc(Br)c1)Cc1ccccc1 ZINC000692435580 976474928 /nfs/dbraw/zinc/47/49/28/976474928.db2.gz CFTHCOYXTLJCTI-UHFFFAOYSA-N 0 2 340.242 3.597 10 0 EHAELN Cc1[nH+]c(-c2cccc(Cl)c2)nc(N2CCCC[C@H]2C(=O)[O-])c1C ZINC000070452234 203076584 /nfs/dbraw/zinc/07/65/84/203076584.db2.gz JJAWSADMVXNJEZ-HNNXBMFYSA-N 0 2 345.830 3.857 10 0 EHAELN O=C(O)c1cn(Cc2ccc(Cl)cc2)c2cc(F)c(F)cc2c1=O ZINC000070460726 203078585 /nfs/dbraw/zinc/07/85/85/203078585.db2.gz CMFDACZRVXWGAL-UHFFFAOYSA-N 0 2 349.720 3.680 10 0 EHAELN O=c1c2sccc2[nH]c(=S)n1CCN1CCCc2ccccc21 ZINC000070460351 203078692 /nfs/dbraw/zinc/07/86/92/203078692.db2.gz GTMLGTNOWLQLPN-UHFFFAOYSA-N 0 2 343.477 3.573 10 0 EHAELN Cc1ccc2nc(Nc3nc(C)c4c(n3)CCCC4=O)nc(C)c2c1 ZINC000072467920 203229345 /nfs/dbraw/zinc/22/93/45/203229345.db2.gz MPUZFGCQAXFLKJ-UHFFFAOYSA-N 0 2 333.395 3.608 10 0 EHAELN CCOC(=O)CC(C(=O)c1ccc(C)cc1)=C(O)c1ccc(C)cc1 ZINC000100483848 563982632 /nfs/dbraw/zinc/98/26/32/563982632.db2.gz CCKCIGSYEVWQPL-UHFFFAOYSA-N 0 2 338.403 3.938 10 0 EHAELN O=C([O-])[C@@H](c1ccccc1)[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000707900233 977404301 /nfs/dbraw/zinc/40/43/01/977404301.db2.gz VDRUPMWCBRWXFJ-OAHLLOKOSA-N 0 2 332.197 3.591 10 0 EHAELN O=C([O-])[C@@H](c1ccccc1)[N@H+]1Cc2ccc(Br)cc2C1 ZINC000707900233 977404304 /nfs/dbraw/zinc/40/43/04/977404304.db2.gz VDRUPMWCBRWXFJ-OAHLLOKOSA-N 0 2 332.197 3.591 10 0 EHAELN CC(C)c1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(-c2ccccc2)[nH+]1 ZINC000070452300 203076963 /nfs/dbraw/zinc/07/69/63/203076963.db2.gz LQOFZWYXPOUUHI-OAHLLOKOSA-N 0 2 325.412 3.568 10 0 EHAELN CCc1c(C)[nH+]c(-c2ccc(F)cc2)nc1N1CCCC[C@H]1C(=O)[O-] ZINC000070452248 203076886 /nfs/dbraw/zinc/07/68/86/203076886.db2.gz FSTDDZQVZYLEHU-INIZCTEOSA-N 0 2 343.402 3.597 10 0 EHAELN CCc1c(C)[nH+]c(-c2ccc(C)cc2)nc1N1CCCC[C@H]1C(=O)[O-] ZINC000070452152 203075056 /nfs/dbraw/zinc/07/50/56/203075056.db2.gz POUSOKLAENXLLL-KRWDZBQOSA-N 0 2 339.439 3.766 10 0 EHAELN CCCc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070452326 203077498 /nfs/dbraw/zinc/07/74/98/203077498.db2.gz CGLSDRFNQARYHV-CQSZACIVSA-N 0 2 343.402 3.536 10 0 EHAELN Cc1nc([C@@H]2CCCN2C(=O)c2cc(F)cc(Cl)c2O)cs1 ZINC000189251931 1140330301 /nfs/dbraw/zinc/33/03/01/1140330301.db2.gz MEFHGIRNLXSIER-ZDUSSCGKSA-N 0 2 340.807 3.927 10 0 EHAELN CCn1c(CCCCC(=O)[O-])[nH+]c2cc(Br)ccc21 ZINC000037441066 213146634 /nfs/dbraw/zinc/14/66/34/213146634.db2.gz VYIBIAXJVNRLOW-UHFFFAOYSA-N 0 2 325.206 3.616 10 0 EHAELN CCCn1cc(C(=O)O)c(=O)c2cc(Cl)c(C(F)(F)F)cc21 ZINC000072237320 216076162 /nfs/dbraw/zinc/07/61/62/216076162.db2.gz HREPDCQNDRJMCZ-UHFFFAOYSA-N 0 2 333.693 3.782 10 0 EHAELN O=C(O)c1cn(Cc2ccc(F)cc2Cl)c2ccccc2c1=O ZINC000070460663 215696789 /nfs/dbraw/zinc/69/67/89/215696789.db2.gz RRZAGAVLLVLINT-UHFFFAOYSA-N 0 2 331.730 3.541 10 0 EHAELN O=C([O-])[C@H]([NH2+]Cc1cccs1)c1ccc(Br)cc1F ZINC000037966667 213176231 /nfs/dbraw/zinc/17/62/31/213176231.db2.gz PLJVUOHEUCZUTB-GFCCVEGCSA-N 0 2 344.205 3.565 10 0 EHAELN CCCOc1ccc(Cn2c(=O)c3sccc3[nH]c2=S)cc1 ZINC000100090718 219091059 /nfs/dbraw/zinc/09/10/59/219091059.db2.gz FBXMUCQTZRJWSC-UHFFFAOYSA-N 0 2 332.450 3.584 10 0 EHAELN O=C(Nc1ccccc1Br)c1cc(F)c(F)c(O)c1F ZINC000019836477 212074171 /nfs/dbraw/zinc/07/41/71/212074171.db2.gz YHXODROAXJYOQF-UHFFFAOYSA-N 0 2 346.102 3.824 10 0 EHAELN C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1cccc(Cl)c1Br ZINC000719414057 969105300 /nfs/dbraw/zinc/10/53/00/969105300.db2.gz QWJFCOCUESNUSS-ZDUSSCGKSA-N 0 2 332.625 3.542 10 0 EHAELN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cccc(Cl)c1Br ZINC000719414057 969105308 /nfs/dbraw/zinc/10/53/08/969105308.db2.gz QWJFCOCUESNUSS-ZDUSSCGKSA-N 0 2 332.625 3.542 10 0 EHAELN Nc1c(Nc2ccc(C(=O)[O-])cc2)nc[nH+]c1NC1CCCCCC1 ZINC000040800943 213389111 /nfs/dbraw/zinc/38/91/11/213389111.db2.gz YBJUTHJHMHENNI-UHFFFAOYSA-N 0 2 341.415 3.635 10 0 EHAELN O=c1cc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc(O)[nH]1 ZINC000073638040 216404834 /nfs/dbraw/zinc/40/48/34/216404834.db2.gz FEXCLSBUCZLIPJ-UHFFFAOYSA-N 0 2 347.330 3.590 10 0 EHAELN O=C(c1cc(F)cc(Cl)c1O)N1CCC[C@H](c2nccs2)C1 ZINC000132160619 1027886119 /nfs/dbraw/zinc/88/61/19/1027886119.db2.gz WDFXUESURLHGQU-VIFPVBQESA-N 0 2 340.807 3.661 10 0 EHAELN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(F)c(O)c(F)c3)C2)cc1 ZINC000186823211 1035710127 /nfs/dbraw/zinc/71/01/27/1035710127.db2.gz ZCQNEOJYQXVTNW-SMDDNHRTSA-N 0 2 347.361 3.697 10 0 EHAELN O=C(C1=NN(c2ccccc2)CC1=O)N1CC=C(c2ccccc2)CC1 ZINC000073047313 1028536483 /nfs/dbraw/zinc/53/64/83/1028536483.db2.gz DYAXFTVVQBYJSP-UHFFFAOYSA-N 0 2 345.402 3.507 10 0 EHAELN Nc1nc(Nc2cccc(Cl)c2)nc(-c2cc(Cl)ccc2O)n1 ZINC000048523190 564129252 /nfs/dbraw/zinc/12/92/52/564129252.db2.gz MACZNSZHTHDOEF-UHFFFAOYSA-N 0 2 348.193 3.877 10 0 EHAELN Cc1ccc(-c2cc(C[N@H+](CC(=O)[O-])Cc3ccccc3)on2)cc1 ZINC000692462092 976493452 /nfs/dbraw/zinc/49/34/52/976493452.db2.gz SKYUFHFTFICGOY-UHFFFAOYSA-N 0 2 336.391 3.737 10 0 EHAELN Cc1ccc(-c2cc(C[N@@H+](CC(=O)[O-])Cc3ccccc3)on2)cc1 ZINC000692462092 976493455 /nfs/dbraw/zinc/49/34/55/976493455.db2.gz SKYUFHFTFICGOY-UHFFFAOYSA-N 0 2 336.391 3.737 10 0 EHAELN O=c1c2sccc2[nH]c(=S)n1Cc1cccc(C(F)(F)F)c1 ZINC000100090759 219090951 /nfs/dbraw/zinc/09/09/51/219090951.db2.gz YOXVJZPXFNWZDB-UHFFFAOYSA-N 0 2 342.367 3.814 10 0 EHAELN C[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1cscc1Br ZINC000709871367 977472886 /nfs/dbraw/zinc/47/28/86/977472886.db2.gz VFOKSLMKGQARNQ-UHFFFAOYSA-N 0 2 346.271 3.902 10 0 EHAELN C[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1cscc1Br ZINC000709871367 977472888 /nfs/dbraw/zinc/47/28/88/977472888.db2.gz VFOKSLMKGQARNQ-UHFFFAOYSA-N 0 2 346.271 3.902 10 0 EHAELN O=C(O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O ZINC000039276035 563922551 /nfs/dbraw/zinc/92/25/51/563922551.db2.gz WZWFUSKOYHUXNG-UHFFFAOYSA-N 0 2 331.730 3.541 10 0 EHAELN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@@H]4CCC[C@H]43)=N2)cc1 ZINC000330251115 1042555135 /nfs/dbraw/zinc/55/51/35/1042555135.db2.gz NGLACAQLWJHLIH-DOTOQJQBSA-N 0 2 339.439 3.716 10 0 EHAELN CC(C)[N@H+](Cc1nc(C(=O)[O-])co1)Cc1cccc(C(F)(F)F)c1 ZINC000036052212 213058134 /nfs/dbraw/zinc/05/81/34/213058134.db2.gz ICJSHEFQXYKDRZ-UHFFFAOYSA-N 0 2 342.317 3.802 10 0 EHAELN CC(C)[N@@H+](Cc1nc(C(=O)[O-])co1)Cc1cccc(C(F)(F)F)c1 ZINC000036052212 213058138 /nfs/dbraw/zinc/05/81/38/213058138.db2.gz ICJSHEFQXYKDRZ-UHFFFAOYSA-N 0 2 342.317 3.802 10 0 EHAELN O=C(c1cc(F)c(O)c(F)c1)N1CC=C(c2ccccc2F)CC1 ZINC000137348489 1028309793 /nfs/dbraw/zinc/30/97/93/1028309793.db2.gz RBAAARQVNOMSBI-UHFFFAOYSA-N 0 2 333.309 3.739 10 0 EHAELN O=C([O-])c1c[nH+]c2c(cccc2C(F)(F)F)c1NCc1cccnc1 ZINC000019793842 212068828 /nfs/dbraw/zinc/06/88/28/212068828.db2.gz IUVIBMNSYAHRTB-UHFFFAOYSA-N 0 2 347.296 3.959 10 0 EHAELN CC[N@H+](Cc1ccoc1)Cc1ccc(C(=O)[O-])cc1Br ZINC000688454316 976177894 /nfs/dbraw/zinc/17/78/94/976177894.db2.gz PZUGCSBPNLWROP-UHFFFAOYSA-N 0 2 338.201 3.762 10 0 EHAELN CC[N@@H+](Cc1ccoc1)Cc1ccc(C(=O)[O-])cc1Br ZINC000688454316 976177900 /nfs/dbraw/zinc/17/79/00/976177900.db2.gz PZUGCSBPNLWROP-UHFFFAOYSA-N 0 2 338.201 3.762 10 0 EHAELN O=c1c2sccc2[nH]c(=S)n1Cc1ccc(F)c(Cl)c1 ZINC000100090754 219090468 /nfs/dbraw/zinc/09/04/68/219090468.db2.gz PCKBPEZWIWBAKK-UHFFFAOYSA-N 0 2 326.805 3.588 10 0 EHAELN CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000105591934 1037217286 /nfs/dbraw/zinc/21/72/86/1037217286.db2.gz PRRAPKRFLBXPHT-SECBINFHSA-N 0 2 345.342 3.612 10 0 EHAELN C[N@H+](Cc1cscc1Br)Cc1cccc(C(=O)[O-])c1 ZINC000709870345 977471954 /nfs/dbraw/zinc/47/19/54/977471954.db2.gz QWQCWUVFWGZPNI-UHFFFAOYSA-N 0 2 340.242 3.841 10 0 EHAELN C[N@@H+](Cc1cscc1Br)Cc1cccc(C(=O)[O-])c1 ZINC000709870345 977471956 /nfs/dbraw/zinc/47/19/56/977471956.db2.gz QWQCWUVFWGZPNI-UHFFFAOYSA-N 0 2 340.242 3.841 10 0 EHAELN Cc1cc(=O)oc2cc(Oc3coc4cc(O)ccc4c3=O)ccc12 ZINC000004226057 210146272 /nfs/dbraw/zinc/14/62/72/210146272.db2.gz FNRMLKGEEODQQY-UHFFFAOYSA-N 0 2 336.299 3.706 10 0 EHAELN CCOc1ccc(OC)cc1NS(=O)(=O)c1cc(C)sc1C ZINC000105389551 1037198703 /nfs/dbraw/zinc/19/87/03/1037198703.db2.gz HSXMBXBPVSCTEZ-UHFFFAOYSA-N 0 2 341.454 3.573 10 0 EHAELN O=C(c1cc(F)cc(Cl)c1O)N1CCC[C@@H](c2nccs2)C1 ZINC000132160440 1027889204 /nfs/dbraw/zinc/88/92/04/1027889204.db2.gz WDFXUESURLHGQU-SECBINFHSA-N 0 2 340.807 3.661 10 0 EHAELN CCCc1cnc(NS(=O)(=O)/C=C\c2ccc(F)cc2)s1 ZINC000588387105 1016634728 /nfs/dbraw/zinc/63/47/28/1016634728.db2.gz YVISXETZDSPFNU-HJWRWDBZSA-N 0 2 326.418 3.647 10 0 EHAELN O=C([O-])c1ccc(NCC2(CCOCc3ccccc3)CC2)[nH+]c1 ZINC000702217812 977070490 /nfs/dbraw/zinc/07/04/90/977070490.db2.gz PNQFEJZPCIPQFS-UHFFFAOYSA-N 0 2 326.396 3.579 10 0 EHAELN O=C([O-])[C@H](c1ccccc1)[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000707900232 977404205 /nfs/dbraw/zinc/40/42/05/977404205.db2.gz VDRUPMWCBRWXFJ-HNNXBMFYSA-N 0 2 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