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(c1ccc(O)c(I)c1)c1ccccc1F ZINC000021987054 202076105 /nfs/dbraw/zinc/07/61/05/202076105.db2.gz GIIMHUBJJSXQGT-UHFFFAOYSA-N 0 2 342.107 3.367 10 0 EGAELN COc1ccc(C)cc1NS(=O)(=O)c1cc(-c2ccno2)oc1C ZINC000032971365 202245400 /nfs/dbraw/zinc/24/54/00/202245400.db2.gz DYKBBVGVVUAGLG-UHFFFAOYSA-N 0 2 348.380 3.361 10 0 EGAELN CSc1ccccc1NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000069704677 203039609 /nfs/dbraw/zinc/03/96/09/203039609.db2.gz MCQUQYRIHXOUEU-UHFFFAOYSA-N 0 2 327.365 3.004 10 0 EGAELN O=S(=O)(Nc1nc(-c2ccsc2)ns1)c1ccc(F)cc1 ZINC000069877160 203059629 /nfs/dbraw/zinc/05/96/29/203059629.db2.gz OPOXQYNPMAZUBH-UHFFFAOYSA-N 0 2 341.414 3.207 10 0 EGAELN COc1ccc([C@@H](C)NC(=O)c2c(O)cc(F)cc2F)c(OC)c1 ZINC000071841355 203125049 /nfs/dbraw/zinc/12/50/49/203125049.db2.gz ADTHZNOLUGVYGI-SECBINFHSA-N 0 2 337.322 3.179 10 0 EGAELN CCOc1ccc(NS(=O)(=O)c2ccc(-c3cc[nH]n3)s2)cc1 ZINC000075351833 203312867 /nfs/dbraw/zinc/31/28/67/203312867.db2.gz NWNDFFNYTSHTSV-UHFFFAOYSA-N 0 2 349.437 3.338 10 0 EGAELN O=C(c1ccc(Cl)c(Cl)c1O)N(C[C@@H]1CCOC1)C1CC1 ZINC000132127304 205314384 /nfs/dbraw/zinc/31/43/84/205314384.db2.gz MUJCPQLVYZRREA-VIFPVBQESA-N 0 2 330.211 3.340 10 0 EGAELN Cc1cc(S(=O)(=O)Nc2nnc(CC(C)C)s2)c(C)s1 ZINC000176586849 207240636 /nfs/dbraw/zinc/24/06/36/207240636.db2.gz QSBQYNUCKAUBTC-UHFFFAOYSA-N 0 2 331.488 3.216 10 0 EGAELN C[C@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)C[C@H](c2ccccc2)O1 ZINC000177112158 207294345 /nfs/dbraw/zinc/29/43/45/207294345.db2.gz SKHZDBLKOWZOJL-MEDUHNTESA-N 0 2 333.334 3.273 10 0 EGAELN O=c1c2cccc(F)c2[nH]cc1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000015828805 285046281 /nfs/dbraw/zinc/04/62/81/285046281.db2.gz WFHPALSTUMSCGE-UHFFFAOYSA-N 0 2 339.294 3.191 10 0 EGAELN Cc1ccc2[nH+]c(CN(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000342795597 141149068 /nfs/dbraw/zinc/14/90/68/141149068.db2.gz 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/nfs/dbraw/zinc/03/24/04/162032404.db2.gz QHKLEVFFBPPZCB-UHFFFAOYSA-N 0 2 339.779 3.465 10 0 EGAELN Cc1[nH]nc2cc(NS(=O)(=O)c3ccc(Cl)cc3F)ccc12 ZINC000093909453 162032406 /nfs/dbraw/zinc/03/24/06/162032406.db2.gz QHKLEVFFBPPZCB-UHFFFAOYSA-N 0 2 339.779 3.465 10 0 EGAELN C[C@@H](CN=c1[nH]nc(C2CCOCC2)s1)Sc1ccccc1 ZINC000338673638 163313628 /nfs/dbraw/zinc/31/36/28/163313628.db2.gz AYFJKJMIGIQXPU-LBPRGKRZSA-N 0 2 335.498 3.447 10 0 EGAELN COc1ccc2c(c1)C[N@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)CC2 ZINC000346137042 164346231 /nfs/dbraw/zinc/34/62/31/164346231.db2.gz RCQCGAKROJFZAV-UHFFFAOYSA-N 0 2 334.423 3.143 10 0 EGAELN C[C@H](OCC(=O)Nc1cc(Cl)cc(Cl)c1O)c1nccn1C ZINC000355743657 166294461 /nfs/dbraw/zinc/29/44/61/166294461.db2.gz YUKFYLSIJDHIOP-QMMMGPOBSA-N 0 2 344.198 3.149 10 0 EGAELN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc(F)cc(Cl)c1 ZINC000355746185 166295388 /nfs/dbraw/zinc/29/53/88/166295388.db2.gz GICDNGMCOCJAHU-UHFFFAOYSA-N 0 2 332.722 3.222 10 0 EGAELN CC[C@@H](Nc1ccccc1)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000356013396 166375208 /nfs/dbraw/zinc/37/52/08/166375208.db2.gz ZBLPICXAVGLJSP-OAHLLOKOSA-N 0 2 337.383 3.007 10 0 EGAELN CCCN(C[C@@H]1CCCCO1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000358944517 167014800 /nfs/dbraw/zinc/01/48/00/167014800.db2.gz HNORYYVAPWFYNX-INIZCTEOSA-N 0 2 335.444 3.054 10 0 EGAELN CCCCc1nnc(NS(=O)(=O)c2cc(C)sc2C)s1 ZINC000176589720 265190538 /nfs/dbraw/zinc/19/05/38/265190538.db2.gz FFHUOPRSNAFICF-UHFFFAOYSA-N 0 2 331.488 3.360 10 0 EGAELN CCCOc1ccc(CNC(=O)c2cc(F)c(O)c(Cl)c2)cn1 ZINC000194626431 266131919 /nfs/dbraw/zinc/13/19/19/266131919.db2.gz RHAHLCGZJMQSQL-UHFFFAOYSA-N 0 2 338.766 3.299 10 0 EGAELN Cc1csc(C2(NC(=O)c3cc(F)c(F)c(O)c3F)CCC2)n1 ZINC000273538530 267056138 /nfs/dbraw/zinc/05/61/38/267056138.db2.gz SQRBEGABTYUTBC-UHFFFAOYSA-N 0 2 342.342 3.384 10 0 EGAELN CCn1nccc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC000274406344 267232198 /nfs/dbraw/zinc/23/21/98/267232198.db2.gz GVLMGGZREVRNBW-UHFFFAOYSA-N 0 2 333.385 3.019 10 0 EGAELN Cc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3n2C)cc1 ZINC000107036844 275170745 /nfs/dbraw/zinc/17/07/45/275170745.db2.gz XZFRENIQCJVWSE-UHFFFAOYSA-N 0 2 335.816 3.336 10 0 EGAELN O=C(Nc1ccc2cc[nH]c2c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000194833909 275227508 /nfs/dbraw/zinc/22/75/08/275227508.db2.gz FRIZAFLNSQXQDP-UHFFFAOYSA-N 0 2 336.326 3.451 10 0 EGAELN O=C(c1cc(F)c(O)c(Cl)c1)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000278609087 275258821 /nfs/dbraw/zinc/25/88/21/275258821.db2.gz LFOBEHRQWUOZTH-ZWNOBZJWSA-N 0 2 325.767 3.159 10 0 EGAELN O=C(NCc1ccn(C2CCCC2)n1)c1cc(F)cc(Cl)c1O ZINC000134958488 307696110 /nfs/dbraw/zinc/69/61/10/307696110.db2.gz MGUIQEJKSXSTLK-UHFFFAOYSA-N 0 2 337.782 3.426 10 0 EGAELN CNC(=O)[C@H](Nc1nc(-c2cc(Cl)cc(Cl)c2)no1)C(C)C ZINC000301758587 308714087 /nfs/dbraw/zinc/71/40/87/308714087.db2.gz FFPNLVQNSLWEOA-LLVKDONJSA-N 0 2 343.214 3.226 10 0 EGAELN COc1cccc(S(O)=CC(=O)N2CCC(C(C)(C)C)CC2)c1 ZINC000424672646 309450976 /nfs/dbraw/zinc/45/09/76/309450976.db2.gz IXDZYALHMZMBDZ-QHCPKHFHSA-N 0 2 337.485 3.088 10 0 EGAELN Cc1ccc([C@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)C(=O)[O-])cc1 ZINC000426682711 309512658 /nfs/dbraw/zinc/51/26/58/309512658.db2.gz LCNTWWLDPVGULQ-KRWDZBQOSA-N 0 2 343.814 3.451 10 0 EGAELN CC1=C[C@H](C)CN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000436008584 309744766 /nfs/dbraw/zinc/74/47/66/309744766.db2.gz FMEFHESXQDKANP-NSHDSACASA-N 0 2 331.803 3.270 10 0 EGAELN C[C@](O)(CNC(=O)c1cc(F)cc(Cl)c1O)C1CCCCC1 ZINC000436672010 309767586 /nfs/dbraw/zinc/76/75/86/309767586.db2.gz LBGQBCPRJLWEMG-INIZCTEOSA-N 0 2 329.799 3.246 10 0 EGAELN Cc1cc(=O)c(-c2noc(-c3ccc(Cl)cc3O)n2)c2n1CCC2 ZINC000436671409 309767747 /nfs/dbraw/zinc/76/77/47/309767747.db2.gz KVCVTJOWPMFXQU-UHFFFAOYSA-N 0 2 343.770 3.179 10 0 EGAELN CCCc1nnc(NS(=O)(=O)c2cccc(Cl)c2C)s1 ZINC000437175870 309788029 /nfs/dbraw/zinc/78/80/29/309788029.db2.gz IXRXBFFTPKWISY-UHFFFAOYSA-N 0 2 331.850 3.253 10 0 EGAELN CCc1ccccc1N1CC(=O)C(C(=O)N2C[C@H](C)CC[C@H]2C)=N1 ZINC000439086293 309826050 /nfs/dbraw/zinc/82/60/50/309826050.db2.gz BAQQRAOJFADHQB-ZIAGYGMSSA-N 0 2 327.428 3.401 10 0 EGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)[C@@H]1C[C@H]1C(F)(F)F ZINC000448949756 310025456 /nfs/dbraw/zinc/02/54/56/310025456.db2.gz KDMUJAGWCMOKPU-RKDXNWHRSA-N 0 2 347.749 3.417 10 0 EGAELN O=C(c1cc(Br)c(F)cc1O)N1CC2(C1)CCCC2 ZINC000450789070 310142578 /nfs/dbraw/zinc/14/25/78/310142578.db2.gz IEHQLZYOWSWALS-UHFFFAOYSA-N 0 2 328.181 3.310 10 0 EGAELN CC(C)[C@@H]1C[C@H](CNC(=O)c2cc(F)cc(Cl)c2O)CCO1 ZINC000452826325 310243912 /nfs/dbraw/zinc/24/39/12/310243912.db2.gz JQJAMPLYYRTAQG-YGRLFVJLSA-N 0 2 329.799 3.366 10 0 EGAELN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000455143243 310346845 /nfs/dbraw/zinc/34/68/45/310346845.db2.gz RHVNVLZHAIEXAR-IJEWVQPXSA-N 0 2 341.459 3.253 10 0 EGAELN CCn1c(CCOc2ccccc2)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000460307353 310581796 /nfs/dbraw/zinc/58/17/96/310581796.db2.gz PUVCOXNVBRNNFV-UHFFFAOYSA-N 0 2 338.411 3.094 10 0 EGAELN O=S(=O)(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1c(F)cccc1F ZINC000025375708 453768736 /nfs/dbraw/zinc/76/87/36/453768736.db2.gz FICOACQJQCXZQG-IUCAKERBSA-N 0 2 343.317 3.364 10 0 EGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1cc(Cl)ccc1O ZINC000509075360 312108859 /nfs/dbraw/zinc/10/88/59/312108859.db2.gz PWCOHDITNBTXMQ-UHFFFAOYSA-N 0 2 341.816 3.472 10 0 EGAELN COc1ccccc1C[C@@H](Nc1nc([C@@H](C)OC)ns1)C(C)C ZINC000509549487 312120363 /nfs/dbraw/zinc/12/03/63/312120363.db2.gz QEBQNDDUHPANGP-TZMCWYRMSA-N 0 2 335.473 3.355 10 0 EGAELN CN1C(=O)c2ccccc2[C@@H]1CNc1nc(C2CCCCC2)ns1 ZINC000528206426 313039453 /nfs/dbraw/zinc/03/94/53/313039453.db2.gz YLWVOZGENWSATH-HNNXBMFYSA-N 0 2 342.468 3.247 10 0 EGAELN C/C=C/COc1cccc(CC(=O)N=c2nc(C3(C)CC3)[nH]s2)c1 ZINC000529701237 313389925 /nfs/dbraw/zinc/38/99/25/313389925.db2.gz PAFGUMCWQBJQBM-ONEGZZNKSA-N 0 2 343.452 3.148 10 0 EGAELN C[C@H]1C[C@@H](CC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)CC(C)(C)C1 ZINC000538824579 314278834 /nfs/dbraw/zinc/27/88/34/314278834.db2.gz TYADHUORWAJLKF-STQMWFEESA-N 0 2 334.464 3.069 10 0 EGAELN c1c2ccccc2oc1CCN=c1[nH]nc(C2CCOCC2)s1 ZINC000549528436 315095167 /nfs/dbraw/zinc/09/51/67/315095167.db2.gz YJKNGYBTWQDBKD-UHFFFAOYSA-N 0 2 329.425 3.255 10 0 EGAELN Cc1cccc(O[C@H](C)CN=c2[nH]nc(C3CCOCC3)s2)c1 ZINC000555162771 315369715 /nfs/dbraw/zinc/36/97/15/315369715.db2.gz CMSFEJZBRCELQC-CYBMUJFWSA-N 0 2 333.457 3.042 10 0 EGAELN Cc1ccc2c(C(=O)N3CCC(c4n[nH]c(=O)[nH]4)CC3)csc2c1 ZINC000563960620 316097717 /nfs/dbraw/zinc/09/77/17/316097717.db2.gz PXFUGQGTFJBORK-UHFFFAOYSA-N 0 2 342.424 3.053 10 0 EGAELN O=C(N=c1ccc(C2CC2)n[nH]1)N[C@H]1CCCc2c(F)cccc21 ZINC000566897970 316541014 /nfs/dbraw/zinc/54/10/14/316541014.db2.gz BFZUKNALJYHLQO-INIZCTEOSA-N 0 2 326.375 3.114 10 0 EGAELN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC000568217635 316744417 /nfs/dbraw/zinc/74/44/17/316744417.db2.gz XXIXCBDNRXRDDG-OAUYIBNBSA-N 0 2 348.406 3.474 10 0 EGAELN CC(C)(CNC(=O)N=c1ccc(-c2ccccc2)n[nH]1)C(F)(F)F ZINC000571107704 317151847 /nfs/dbraw/zinc/15/18/47/317151847.db2.gz XHJNVKNUEVVORW-UHFFFAOYSA-N 0 2 338.333 3.276 10 0 EGAELN Clc1cccnc1N1CC[C@H](Nc2nc(C3CCCC3)ns2)C1 ZINC000574627930 317619191 /nfs/dbraw/zinc/61/91/91/317619191.db2.gz GXDWIHJMIYXPEX-LBPRGKRZSA-N 0 2 349.891 3.357 10 0 EGAELN Cn1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C2CC2)n1 ZINC000291224317 456570709 /nfs/dbraw/zinc/57/07/09/456570709.db2.gz WISPONIIMOMMJX-UHFFFAOYSA-N 0 2 346.239 3.405 10 0 EGAELN CO[C@@H](C)c1nsc(NCCSCc2ccccc2F)n1 ZINC000337906369 456594517 /nfs/dbraw/zinc/59/45/17/456594517.db2.gz CKJCSZGVTVNPST-JTQLQIEISA-N 0 2 327.450 3.152 10 0 EGAELN CC(C)Oc1ccc(=NCc2ccc(N(C)c3ccccc3)nc2)[nH]n1 ZINC000576796193 324682961 /nfs/dbraw/zinc/68/29/61/324682961.db2.gz SNGUKMVPVAADJC-UHFFFAOYSA-N 0 2 349.438 3.461 10 0 EGAELN Cc1cc(=NC(=O)N[C@@H]2CCCc3sc(Cl)cc32)[nH]nc1C ZINC000577341948 324788094 /nfs/dbraw/zinc/78/80/94/324788094.db2.gz KZTLJSCBXDDPLQ-LLVKDONJSA-N 0 2 336.848 3.429 10 0 EGAELN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC[C@@H]1C1CC1 ZINC000578220167 324937734 /nfs/dbraw/zinc/93/77/34/324937734.db2.gz XHTJCEGXELBHMO-GFCCVEGCSA-N 0 2 334.832 3.297 10 0 EGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1cc2c(cn1)CCCC2 ZINC000581857884 325393328 /nfs/dbraw/zinc/39/33/28/325393328.db2.gz RHPVEFMNYCRCFZ-UHFFFAOYSA-N 0 2 346.452 3.387 10 0 EGAELN CCCCn1c(SC[C@@H](C)[NH+](C)C)nnc1[C@H](CC)[NH+](C)C ZINC000358858478 457008370 /nfs/dbraw/zinc/00/83/70/457008370.db2.gz AHOUPHTZZRPKNE-KGLIPLIRSA-N 0 2 327.542 3.133 10 0 EGAELN CC(C)(C)n1cnc(=NC(=O)NCc2c(Cl)oc3ccccc32)[nH]1 ZINC000626496681 460552962 /nfs/dbraw/zinc/55/29/62/460552962.db2.gz KRYWKWQDWQNTBL-UHFFFAOYSA-N 0 2 347.806 3.176 10 0 EGAELN CCOC(=O)c1c(C)csc1NS(=O)(=O)c1ccc(C)cc1 ZINC000000080336 452500598 /nfs/dbraw/zinc/50/05/98/452500598.db2.gz MIRBSJXECCTFGB-UHFFFAOYSA-N 0 2 339.438 3.342 10 0 EGAELN Cn1nccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000000116737 452513217 /nfs/dbraw/zinc/51/32/17/452513217.db2.gz LSZNCOREEUDORX-UHFFFAOYSA-N 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339.776 3.238 10 0 EGAELN Cc1c(Cl)cccc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000174767820 455413805 /nfs/dbraw/zinc/41/38/05/455413805.db2.gz HWSLURGOYNVGCO-UHFFFAOYSA-N 0 2 325.821 3.056 10 0 EGAELN Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000246441146 455490627 /nfs/dbraw/zinc/49/06/27/455490627.db2.gz DEBISDSHEVSZJN-PXNSSMCTSA-N 0 2 341.499 3.191 10 0 EGAELN COc1ccc2c(c1)C=C(S(=O)(=O)Nc1ncc(C)s1)CC2 ZINC000185595149 455582690 /nfs/dbraw/zinc/58/26/90/455582690.db2.gz RZBLJVGPVZHSRT-UHFFFAOYSA-N 0 2 336.438 3.189 10 0 EGAELN COc1ccsc1S(=O)(=O)Nc1cc(C)c(OC)cc1C ZINC000277692570 455635888 /nfs/dbraw/zinc/63/58/88/455635888.db2.gz VECDQSIRMZQPQC-UHFFFAOYSA-N 0 2 327.427 3.183 10 0 EGAELN CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632212970 460683984 /nfs/dbraw/zinc/68/39/84/460683984.db2.gz JMBGDKCFANXQPF-ZETCQYMHSA-N 0 2 346.758 3.215 10 0 EGAELN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000194856417 455891405 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ZINC000356715000 457130396 /nfs/dbraw/zinc/13/03/96/457130396.db2.gz VCQPYFIAORYPED-UHFFFAOYSA-N 0 2 338.454 3.452 10 0 EGAELN Fc1ccc2[nH]cc(CCNc3nc(C(F)(F)F)ns3)c2c1 ZINC000342411439 457289122 /nfs/dbraw/zinc/28/91/22/457289122.db2.gz VVDMGJUDRIWPLW-UHFFFAOYSA-N 0 2 330.310 3.254 10 0 EGAELN O=C(N[C@@H]1CCCC(F)(F)C1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000354598116 457291704 /nfs/dbraw/zinc/29/17/04/457291704.db2.gz AIPSAXSDVLHDPR-LLVKDONJSA-N 0 2 339.317 3.025 10 0 EGAELN COCc1csc(NS(=O)(=O)c2ccc(C(F)F)cc2)n1 ZINC000342431024 457301536 /nfs/dbraw/zinc/30/15/36/457301536.db2.gz FIVIHFGTFCRMGK-UHFFFAOYSA-N 0 2 334.369 3.028 10 0 EGAELN CC(=O)c1cccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 ZINC000360753970 457336648 /nfs/dbraw/zinc/33/66/48/457336648.db2.gz KKLNHEFRBJCYSI-UHFFFAOYSA-N 0 2 329.406 3.143 10 0 EGAELN CC(=O)c1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1Cl ZINC000361015184 457512477 /nfs/dbraw/zinc/51/24/77/457512477.db2.gz RCWFRAURLOUDHS-UHFFFAOYSA-N 0 2 345.207 3.392 10 0 EGAELN COCn1nc(C)c(S(=O)(=O)Nc2cccc(C(C)C)c2)c1C ZINC000361529875 457773451 /nfs/dbraw/zinc/77/34/51/457773451.db2.gz WSQBPXWIOMTCIF-UHFFFAOYSA-N 0 2 337.445 3.028 10 0 EGAELN CCCCCS(=O)(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000433441369 457833802 /nfs/dbraw/zinc/83/38/02/457833802.db2.gz FSJILWGWKKWESN-GFCCVEGCSA-N 0 2 327.343 3.381 10 0 EGAELN Cc1ccsc1-c1nc(=NC(=O)c2ccoc2Cl)s[nH]1 ZINC000433867748 457901921 /nfs/dbraw/zinc/90/19/21/457901921.db2.gz JWZQCVSZEXEHCR-UHFFFAOYSA-N 0 2 325.802 3.496 10 0 EGAELN O=C([O-])[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)c1ccc(O)cc1 ZINC000426790166 457903345 /nfs/dbraw/zinc/90/33/45/457903345.db2.gz BBDYLCNSWBMSRY-MRXNPFEDSA-N 0 2 340.404 3.431 10 0 EGAELN CO[C@@H](c1ccc(Br)cc1)[C@H](C)N=c1nc(C)[nH]s1 ZINC000358463234 458018161 /nfs/dbraw/zinc/01/81/61/458018161.db2.gz JUBGQLDZLQWVNI-QPUJVOFHSA-N 0 2 342.262 3.219 10 0 EGAELN Cc1nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)n3)cc2s1 ZINC000427781985 458035117 /nfs/dbraw/zinc/03/51/17/458035117.db2.gz JQUBRASMHZNWNG-UHFFFAOYSA-N 0 2 333.438 3.417 10 0 EGAELN COCCc1nsc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)n1 ZINC000435571001 458163608 /nfs/dbraw/zinc/16/36/08/458163608.db2.gz QDAMYNPLBOZEOG-CMPLNLGQSA-N 0 2 344.267 3.424 10 0 EGAELN C[C@@]1(CNC(=O)c2cc(F)c(O)c(Cl)c2)CCO[C@@H]1C1CC1 ZINC000369328733 458174490 /nfs/dbraw/zinc/17/44/90/458174490.db2.gz CSCGAAYUENQOBM-ZBFHGGJFSA-N 0 2 327.783 3.120 10 0 EGAELN O=S(=O)(Nc1n[nH]c2ccc(F)cc21)c1ccc2ncsc2c1 ZINC000358798695 458224681 /nfs/dbraw/zinc/22/46/81/458224681.db2.gz KNRHXCGEFOVYKB-UHFFFAOYSA-N 0 2 348.384 3.113 10 0 EGAELN CCc1cnc(NS(=O)(=O)c2ccc3ncsc3c2)s1 ZINC000358799896 458226097 /nfs/dbraw/zinc/22/60/97/458226097.db2.gz NPUPKXDTPNZTEK-UHFFFAOYSA-N 0 2 325.440 3.116 10 0 EGAELN O=C(c1cc(F)c(O)c(Cl)c1)N1CC[C@H](Oc2ccccc2)C1 ZINC000369731022 458328416 /nfs/dbraw/zinc/32/84/16/458328416.db2.gz SOLQZMSYYFCASI-ZDUSSCGKSA-N 0 2 335.762 3.478 10 0 EGAELN Cn1c(=O)ccc2ccc(NC(=O)c3cc(F)cc(Cl)c3O)cc21 ZINC000436856095 458394334 /nfs/dbraw/zinc/39/43/34/458394334.db2.gz 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/nfs/dbraw/zinc/70/49/01/458704901.db2.gz DKMRGVYYLPKDDE-AWEZNQCLSA-N 0 2 336.185 3.226 10 0 EGAELN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1Cc1cccc(Br)c1 ZINC000530167783 458704909 /nfs/dbraw/zinc/70/49/09/458704909.db2.gz DKMRGVYYLPKDDE-AWEZNQCLSA-N 0 2 336.185 3.226 10 0 EGAELN CS(=O)(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000547495911 458750670 /nfs/dbraw/zinc/75/06/70/458750670.db2.gz HUQHRQNPAICGRP-UHFFFAOYSA-N 0 2 326.418 3.122 10 0 EGAELN Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)nn1[C@H](C)C1CC1 ZINC000541307472 459441159 /nfs/dbraw/zinc/44/11/59/459441159.db2.gz VOTWNNYFSVXRGU-SNVBAGLBSA-N 0 2 341.383 3.242 10 0 EGAELN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1ccoc1C(F)(F)F ZINC000561400947 459449726 /nfs/dbraw/zinc/44/97/26/459449726.db2.gz FNAJIRHCCQGDKQ-UHFFFAOYSA-N 0 2 339.298 3.491 10 0 EGAELN Cc1cccc([C@@H](C)CNC(=O)N=c2ncn(C3CCCCC3)[nH]2)c1 ZINC000541792592 459493475 /nfs/dbraw/zinc/49/34/75/459493475.db2.gz AEYCNCFPLWZVKH-HNNXBMFYSA-N 0 2 341.459 3.439 10 0 EGAELN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000542434442 459557308 /nfs/dbraw/zinc/55/73/08/459557308.db2.gz SYFMTXJLKMWDPU-CQSZACIVSA-N 0 2 349.866 3.251 10 0 EGAELN O=C([O-])[C@@]1([NH2+]Cc2cnc(C3CC3)s2)CCc2c1cccc2F ZINC000584102208 459655009 /nfs/dbraw/zinc/65/50/09/459655009.db2.gz DNAZGPQSYXJGPX-QGZVFWFLSA-N 0 2 332.400 3.176 10 0 EGAELN C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2)s1 ZINC000543592533 459672012 /nfs/dbraw/zinc/67/20/12/459672012.db2.gz WSMZRXOVSUUUHE-WBVHZDCISA-N 0 2 329.513 3.312 10 0 EGAELN CC(C)(C)n1cnc(=NC(=O)NC2(Cc3ccccc3)CCCC2)[nH]1 ZINC000543655063 459680942 /nfs/dbraw/zinc/68/09/42/459680942.db2.gz ACXMPIOGVNHTJZ-UHFFFAOYSA-N 0 2 341.459 3.132 10 0 EGAELN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)C1 ZINC000527809929 459746329 /nfs/dbraw/zinc/74/63/29/459746329.db2.gz UKVSDCMPBRYAJC-HGHGUNKESA-N 0 2 349.478 3.238 10 0 EGAELN CO[C@@H](CCNc1nc(-c2ccccc2C)ns1)C(F)(F)F ZINC000527976979 459786886 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O=C(N=c1nc(-c2ccccc2C(F)(F)F)[nH]s1)[C@@H]1CC12CC2 ZINC000622145616 460201934 /nfs/dbraw/zinc/20/19/34/460201934.db2.gz ZIOOEFIAYKVOIB-JTQLQIEISA-N 0 2 339.342 3.384 10 0 EGAELN CC1(C)CCC(O)(CNC(=O)c2cc(F)c(O)c(Cl)c2)CC1 ZINC000619405372 460347689 /nfs/dbraw/zinc/34/76/89/460347689.db2.gz AEOFNOSJBHPDEX-UHFFFAOYSA-N 0 2 329.799 3.246 10 0 EGAELN CO[C@H]1CC[C@@H](C(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)C1 ZINC000622929062 460355146 /nfs/dbraw/zinc/35/51/46/460355146.db2.gz BEHSHKXSWDXCAO-ZJUUUORDSA-N 0 2 337.832 3.034 10 0 EGAELN CCCC1=NN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C(=O)C1 ZINC000634612791 460447152 /nfs/dbraw/zinc/44/71/52/460447152.db2.gz ILVVOYFFFIUWDA-UHFFFAOYSA-N 0 2 349.316 3.450 10 0 EGAELN CCCc1cc(=O)n(-c2cc(C(F)(F)F)nc(-c3ccncc3)n2)[nH]1 ZINC000634612791 460447156 /nfs/dbraw/zinc/44/71/56/460447156.db2.gz ILVVOYFFFIUWDA-UHFFFAOYSA-N 0 2 349.316 3.450 10 0 EGAELN CC1(c2nc(=NC(=O)c3ccc(C(F)(F)F)c(F)c3)s[nH]2)CC1 ZINC000628540149 460451797 /nfs/dbraw/zinc/45/17/97/460451797.db2.gz 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CC(C)(C)n1cnc(=NC(=O)N2CCC[C@@H]2CCc2ccccc2)[nH]1 ZINC000542436964 459556849 /nfs/dbraw/zinc/55/68/49/459556849.db2.gz JAQBZGRDKSNMJN-MRXNPFEDSA-N 0 2 341.459 3.084 10 0 EGAELN C[C@@H]1CN(C(=O)N=c2ncn(C(C)(C)C)[nH]2)CC[C@H]1c1ccccc1 ZINC000543365678 459649425 /nfs/dbraw/zinc/64/94/25/459649425.db2.gz JPGXIOGRVDWBDJ-GDBMZVCRSA-N 0 2 341.459 3.113 10 0 EGAELN CC(C)[C@@H](CNC(=O)N=c1ncn(C(C)(C)C)[nH]1)c1ccccc1 ZINC000543368462 459650381 /nfs/dbraw/zinc/65/03/81/459650381.db2.gz PFKPTBHNTJTQPN-OAHLLOKOSA-N 0 2 329.448 3.016 10 0 EGAELN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)C[C@@H]2CC=CCC2)=N1 ZINC000544304527 459746768 /nfs/dbraw/zinc/74/67/68/459746768.db2.gz DARCEWBAODLXCT-CQSZACIVSA-N 0 2 343.402 3.454 10 0 EGAELN Cc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1Cl ZINC000574252328 459796991 /nfs/dbraw/zinc/79/69/91/459796991.db2.gz DNMXWVLEHCCISV-ZDUSSCGKSA-N 0 2 341.820 3.024 10 0 EGAELN O=C(Nc1n[nH]c(C2CCC2)n1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000546150249 459899491 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COC(=O)c1sccc1NS(=O)(=O)c1cc(C)sc1C ZINC000028808287 453824838 /nfs/dbraw/zinc/82/48/38/453824838.db2.gz KDEFGZCYMSPUNM-UHFFFAOYSA-N 0 2 331.440 3.014 10 0 EGAELN O=C(CCc1ccccc1O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000081731094 453906032 /nfs/dbraw/zinc/90/60/32/453906032.db2.gz OJIOMALOZZTWOF-UHFFFAOYSA-N 0 2 344.321 3.027 10 0 EGAELN Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1cc(C)ccc1O ZINC000089102729 454122199 /nfs/dbraw/zinc/12/21/99/454122199.db2.gz PXBRVADZOMRCFI-UHFFFAOYSA-N 0 2 337.445 3.070 10 0 EGAELN COc1ccc(Br)cc1S(=O)(=O)Nc1ccsc1 ZINC000089750300 454189371 /nfs/dbraw/zinc/18/93/71/454189371.db2.gz GCCIMNQZIZEBBO-UHFFFAOYSA-N 0 2 348.243 3.320 10 0 EGAELN CN(Cc1nc(C(C)(C)C)cs1)Cc1nc(=O)c2sccc2[nH]1 ZINC000131887498 454295861 /nfs/dbraw/zinc/29/58/61/454295861.db2.gz XDWLHMHXKAGXLI-UHFFFAOYSA-N 0 2 348.497 3.371 10 0 EGAELN Cc1cc(S(=O)(=O)Nc2cnn(C(C)C)c2)c(Cl)cc1F ZINC000121317974 454420479 /nfs/dbraw/zinc/42/04/79/454420479.db2.gz LTYKBUUNJCORCI-UHFFFAOYSA-N 0 2 331.800 3.366 10 0 EGAELN Cc1nc2cc(NC(=O)C3=NN(c4ccccc4)CC3=O)ccc2o1 ZINC000073412189 454434286 /nfs/dbraw/zinc/43/42/86/454434286.db2.gz JLVDYHDDIIJDBX-UHFFFAOYSA-N 0 2 334.335 3.280 10 0 EGAELN COC(=O)c1csc(NS(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000122100252 454509376 /nfs/dbraw/zinc/50/93/76/454509376.db2.gz GAENLVRIJBUUKL-UHFFFAOYSA-N 0 2 345.829 3.297 10 0 EGAELN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1c(O)cc(F)cc1F ZINC000066042449 454651984 /nfs/dbraw/zinc/65/19/84/454651984.db2.gz SWXTWTGNZGVSRM-UHFFFAOYSA-N 0 2 343.333 3.128 10 0 EGAELN Cc1ccc(-c2nc(NC(=O)c3c(O)cc(F)cc3F)n[nH]2)cc1 ZINC000066043853 454653284 /nfs/dbraw/zinc/65/32/84/454653284.db2.gz JLJCIRNNENIYNL-UHFFFAOYSA-N 0 2 330.294 3.016 10 0 EGAELN O=C(c1c(O)cc(F)cc1F)N1CCc2[nH]c3ccccc3c2C1 ZINC000066042948 454653613 /nfs/dbraw/zinc/65/36/13/454653613.db2.gz IHEIRBGOFTYCNJ-UHFFFAOYSA-N 0 2 328.318 3.350 10 0 EGAELN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1c(O)cc(F)cc1F ZINC000066047747 454654423 /nfs/dbraw/zinc/65/44/23/454654423.db2.gz XVCUHTQZYJVFCH-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/07/04/53/456070453.db2.gz BKDMMWHOJSGRDB-QPUJVOFHSA-N 0 2 334.199 3.079 10 0 EGAELN CCO[C@H](CS(=O)(=O)Nc1cccc2ccc(C)nc21)C1CC1 ZINC000629288548 460715552 /nfs/dbraw/zinc/71/55/52/460715552.db2.gz SCBKGNADGJVJQS-MRXNPFEDSA-N 0 2 334.441 3.100 10 0 EGAELN CO[C@@H]1COCC[C@H]1CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000297187537 456144340 /nfs/dbraw/zinc/14/43/40/456144340.db2.gz QKUISEJRMXMWHH-QPUJVOFHSA-N 0 2 334.199 3.079 10 0 EGAELN CC[C@H](C)c1cccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000629314251 460718455 /nfs/dbraw/zinc/71/84/55/460718455.db2.gz VFQYKRUJDODYFQ-NSHDSACASA-N 0 2 343.399 3.463 10 0 EGAELN C[C@H](C[N@H+](Cc1noc(C2CCC2)n1)Cc1ccccc1)C(=O)[O-] ZINC000629359861 460730280 /nfs/dbraw/zinc/73/02/80/460730280.db2.gz AHNCOTFPQDBZON-CYBMUJFWSA-N 0 2 329.400 3.060 10 0 EGAELN C[C@H](C[N@@H+](Cc1noc(C2CCC2)n1)Cc1ccccc1)C(=O)[O-] ZINC000629359861 460730286 /nfs/dbraw/zinc/73/02/86/460730286.db2.gz AHNCOTFPQDBZON-CYBMUJFWSA-N 0 2 329.400 3.060 10 0 EGAELN Cc1cc(F)ccc1S(=O)(=O)Nc1cncnc1-c1ccccc1 ZINC000352903542 456402021 /nfs/dbraw/zinc/40/20/21/456402021.db2.gz VZIAUBYCRVMCPK-UHFFFAOYSA-N 0 2 343.383 3.392 10 0 EGAELN c1[nH+]c([C@H]2CCC[N@H+](CCOc3ccccc3)C2)n2c1CCCC2 ZINC000282111910 456416236 /nfs/dbraw/zinc/41/62/36/456416236.db2.gz PZWFZKZLNCEDNF-KRWDZBQOSA-N 0 2 325.456 3.478 10 0 EGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000337755657 456525788 /nfs/dbraw/zinc/52/57/88/456525788.db2.gz LQRDDYNFOLPXEM-CYBMUJFWSA-N 0 2 349.456 3.280 10 0 EGAELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1cnc(C(C)C)nc1 ZINC000337755894 456525991 /nfs/dbraw/zinc/52/59/91/456525991.db2.gz HUXGOFKRAZQIKF-UHFFFAOYSA-N 0 2 335.429 3.026 10 0 EGAELN CO[C@H](C)c1nsc(NCC2(CCOCc3ccccc3)CC2)n1 ZINC000337867738 456576308 /nfs/dbraw/zinc/57/63/08/456576308.db2.gz LRXNDYBAFLYTJG-CQSZACIVSA-N 0 2 347.484 3.466 10 0 EGAELN Cc1cc(F)ccc1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000341776062 456939942 /nfs/dbraw/zinc/93/99/42/456939942.db2.gz LEURTEBEGAIADL-UHFFFAOYSA-N 0 2 331.372 3.325 10 0 EGAELN CCn1c2ccccc2nc1[C@@H](C)Nc1nc(C(=O)OC)c(C)s1 ZINC000354467928 457241519 /nfs/dbraw/zinc/24/15/19/457241519.db2.gz ORMXLKXHEYGXKS-SNVBAGLBSA-N 0 2 344.440 3.203 10 0 EGAELN COc1ccc(N2CC(=O)C(C(=O)N3Cc4ccccc4[C@H]3C)=N2)cc1 ZINC000354513408 457265443 /nfs/dbraw/zinc/26/54/43/457265443.db2.gz ORNAMLHAGDQEIB-CYBMUJFWSA-N 0 2 349.390 3.304 10 0 EGAELN Cc1cc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)c(C)s1 ZINC000342426348 457297927 /nfs/dbraw/zinc/29/79/27/457297927.db2.gz QLJAREQKVFXKSO-UHFFFAOYSA-N 0 2 341.502 3.488 10 0 EGAELN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000342464657 457317080 /nfs/dbraw/zinc/31/70/80/457317080.db2.gz KEJJURPZQVKSNO-UHFFFAOYSA-N 0 2 349.243 3.141 10 0 EGAELN O=C(N=c1ccc(-c2ccccc2)n[nH]1)c1cccc2ccc(=O)[nH]c21 ZINC000342496642 457335722 /nfs/dbraw/zinc/33/57/22/457335722.db2.gz VMCNNOZHAZJFNR-UHFFFAOYSA-N 0 2 342.358 3.072 10 0 EGAELN CCCN(C[C@H]1CCCCO1)C(=O)c1c[nH]c2c(C)cccc2c1=O ZINC000357699941 457661330 /nfs/dbraw/zinc/66/13/30/457661330.db2.gz DILGZBJPQQFUQR-OAHLLOKOSA-N 0 2 342.439 3.258 10 0 EGAELN COc1ccccc1[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000426785471 457903014 /nfs/dbraw/zinc/90/30/14/457903014.db2.gz PZBAXXLYBKJBMT-KRWDZBQOSA-N 0 2 329.327 3.496 10 0 EGAELN O=C(N[C@H]1CCc2ccccc2OC1)c1cc(F)c(O)c(Cl)c1 ZINC000367274174 457941301 /nfs/dbraw/zinc/94/13/01/457941301.db2.gz KEZBYOVYJJNOFE-LBPRGKRZSA-N 0 2 335.762 3.308 10 0 EGAELN Cc1cc(=NC(=O)c2ncoc2-c2ccccc2Cl)[nH]nc1C ZINC000358485457 458030715 /nfs/dbraw/zinc/03/07/15/458030715.db2.gz HPNUPGVRWCUUNC-UHFFFAOYSA-N 0 2 328.759 3.076 10 0 EGAELN CCCOc1ccc(Br)cc1CSc1n[nH]c(=O)[nH]1 ZINC000446072835 458139418 /nfs/dbraw/zinc/13/94/18/458139418.db2.gz QXGDXYPJWRIWLT-UHFFFAOYSA-N 0 2 344.234 3.354 10 0 EGAELN C[C@]1(CNC(=O)c2cc(F)c(O)c(Cl)c2)CCO[C@@H]1C1CC1 ZINC000369328730 458173462 /nfs/dbraw/zinc/17/34/62/458173462.db2.gz CSCGAAYUENQOBM-GDBMZVCRSA-N 0 2 327.783 3.120 10 0 EGAELN CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000459366565 458345923 /nfs/dbraw/zinc/34/59/23/458345923.db2.gz BEHLCQNDVNKITN-MAUKXSAKSA-N 0 2 340.471 3.011 10 0 EGAELN CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000459366565 458345924 /nfs/dbraw/zinc/34/59/24/458345924.db2.gz BEHLCQNDVNKITN-MAUKXSAKSA-N 0 2 340.471 3.011 10 0 EGAELN O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc(F)c(O)c(Cl)c1 ZINC000436960386 458413460 /nfs/dbraw/zinc/41/34/60/458413460.db2.gz HFJXKUPEBNLFAL-LLVKDONJSA-N 0 2 348.761 3.041 10 0 EGAELN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000430572576 458463041 /nfs/dbraw/zinc/46/30/41/458463041.db2.gz OQTGMTXSKONMNB-UVBJJODRSA-N 0 2 335.363 3.018 10 0 EGAELN COc1cccc(S(O)=CC(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000424669276 458702208 /nfs/dbraw/zinc/70/22/08/458702208.db2.gz RYLRYMHCPMHCEC-YADARESESA-N 0 2 347.480 3.152 10 0 EGAELN O=C(Nc1nc(-c2ccc(O)c(Cl)c2)n[nH]1)[C@H]1CCCC12CC2 ZINC000530269508 458737346 /nfs/dbraw/zinc/73/73/46/458737346.db2.gz UNCXJDDZVDGMLX-SNVBAGLBSA-N 0 2 332.791 3.350 10 0 EGAELN Cc1nc(CC2CC2)oc1C(=O)N=c1ccc(-c2ccccc2)n[nH]1 ZINC000530404976 458762494 /nfs/dbraw/zinc/76/24/94/458762494.db2.gz JTLXISIWKPDEIP-UHFFFAOYSA-N 0 2 334.379 3.067 10 0 EGAELN CC(C)(C)c1nc(=NC(=O)N2CC[C@](C)(c3ccccc3)C2)s[nH]1 ZINC000531520062 458929272 /nfs/dbraw/zinc/92/92/72/458929272.db2.gz FLKKCUZQWBFXBQ-SFHVURJKSA-N 0 2 344.484 3.453 10 0 EGAELN O=S(=O)(Nc1cnc(CC2CC2)nc1)c1cc(Cl)ccc1F ZINC000556316792 458949458 /nfs/dbraw/zinc/94/94/58/458949458.db2.gz UMDDTLMZXVOICX-UHFFFAOYSA-N 0 2 341.795 3.022 10 0 EGAELN O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000556855269 459022006 /nfs/dbraw/zinc/02/20/06/459022006.db2.gz GQDOZRVJTWGJGI-SCRDCRAPSA-N 0 2 346.818 3.021 10 0 EGAELN Cc1ncc(NS(=O)(=O)c2ccc(Cl)s2)c(C2CC2)n1 ZINC000532894506 459155640 /nfs/dbraw/zinc/15/56/40/459155640.db2.gz DPJAETBPATYZFN-UHFFFAOYSA-N 0 2 329.834 3.178 10 0 EGAELN 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