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(Cl)c([O-])c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000952993033 721533847 /nfs/dbraw/zinc/53/38/47/721533847.db2.gz UQYJILFHVJDDQN-UONOGXRCSA-N 0 2 324.808 1.717 50 0 DDAALN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nnc(C)s1 ZINC000095452250 185369303 /nfs/dbraw/zinc/36/93/03/185369303.db2.gz FFNMXZVRQDJAAN-UHFFFAOYSA-N 0 2 315.424 1.506 50 0 DDAALN O=C([O-])c1n[nH]cc1C[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000071750249 191022751 /nfs/dbraw/zinc/02/27/51/191022751.db2.gz LJUKZQXJCLNNRF-UHFFFAOYSA-N 0 2 318.333 1.049 50 0 DDAALN O=C([O-])c1n[nH]cc1C[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000071750249 191022752 /nfs/dbraw/zinc/02/27/52/191022752.db2.gz LJUKZQXJCLNNRF-UHFFFAOYSA-N 0 2 318.333 1.049 50 0 DDAALN Cc1ccc(-c2ccnc(N3CCO[C@H](C(=O)[O-])C3)n2)c(C)[nH+]1 ZINC000072439622 191166926 /nfs/dbraw/zinc/16/69/26/191166926.db2.gz PBNVOFNAUKMTGE-AWEZNQCLSA-N 0 2 314.345 1.445 50 0 DDAALN COc1ccc(C)cc1NC(=O)CSc1nncc(=O)[nH]1 ZINC000004317422 181097266 /nfs/dbraw/zinc/09/72/66/181097266.db2.gz KKGZKXLURLYTLI-UHFFFAOYSA-N 0 2 306.347 1.625 50 0 DDAALN COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c(C)c1C ZINC000038534550 183001826 /nfs/dbraw/zinc/00/18/26/183001826.db2.gz AVYANKXIERHYKJ-ZDUSSCGKSA-N 0 2 306.362 1.087 50 0 DDAALN COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c(C)c1C ZINC000038534550 183001827 /nfs/dbraw/zinc/00/18/27/183001827.db2.gz AVYANKXIERHYKJ-ZDUSSCGKSA-N 0 2 306.362 1.087 50 0 DDAALN O=S(=O)(Nc1nc2ncccn2n1)c1ccccc1Cl ZINC000073840497 406896566 /nfs/dbraw/zinc/89/65/66/406896566.db2.gz NFJQUTZGUBDXEQ-UHFFFAOYSA-N 0 2 309.738 1.579 50 0 DDAALN NC1=NC(=O)C(CC(=O)NCC2C3CC4CC(C3)CC2C4)S1 ZINC000095979818 407220004 /nfs/dbraw/zinc/22/00/04/407220004.db2.gz WTVPDMUKOZZOAI-KLXKCYDASA-N 0 2 321.446 1.522 50 0 DDAALN O=C(NCCn1[nH]c(=O)ccc1=O)c1cc2ccccc2s1 ZINC000067867767 407288060 /nfs/dbraw/zinc/28/80/60/407288060.db2.gz KWEPFMZZOBZYNM-UHFFFAOYSA-N 0 2 315.354 1.594 50 0 DDAALN COc1ncc(NS(=O)(=O)c2ccc(F)c(F)c2)cn1 ZINC000224286442 407575332 /nfs/dbraw/zinc/57/53/32/407575332.db2.gz BGURMFSTNCGZAD-UHFFFAOYSA-N 0 2 301.274 1.564 50 0 DDAALN COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(F)c1 ZINC000241923291 407912350 /nfs/dbraw/zinc/91/23/50/407912350.db2.gz UESUEZNZPTXUMD-UHFFFAOYSA-N 0 2 324.333 1.734 50 0 DDAALN Cc1ccc(C[N@@H+]2C[C@@H](COc3cc[nH+]cc3)[C@H](C(N)=O)C2)o1 ZINC000253403296 408814945 /nfs/dbraw/zinc/81/49/45/408814945.db2.gz HBHODGZLZCHVGW-XJKSGUPXSA-N 0 2 315.373 1.595 50 0 DDAALN Cc1csc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)n1 ZINC000069417109 418488349 /nfs/dbraw/zinc/48/83/49/418488349.db2.gz DCTBSSCLQAMJDV-UHFFFAOYSA-N 0 2 322.367 2.359 50 0 DDAALN O=C(Cc1ccccc1)N1CCc2nc3cc[nH]n3c(=O)c2C1 ZINC000102990592 418495461 /nfs/dbraw/zinc/49/54/61/418495461.db2.gz NLNMUPGETZFHDF-UHFFFAOYSA-N 0 2 308.341 1.150 50 0 DDAALN Cc1nnc(C[N@@H+]2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)s1 ZINC000426491548 419487752 /nfs/dbraw/zinc/48/77/52/419487752.db2.gz PNAZQEUJFMGHHP-NSHDSACASA-N 0 2 321.406 1.507 50 0 DDAALN Cc1nnc(C[N@H+]2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)s1 ZINC000426491548 419487757 /nfs/dbraw/zinc/48/77/57/419487757.db2.gz PNAZQEUJFMGHHP-NSHDSACASA-N 0 2 321.406 1.507 50 0 DDAALN CCn1cc[nH+]c1CN(C)C(=O)N[C@@H](CC(=O)[O-])CC(C)C ZINC000426705670 419534556 /nfs/dbraw/zinc/53/45/56/419534556.db2.gz JJVIVFWSIODHKC-GFCCVEGCSA-N 0 2 310.398 1.934 50 0 DDAALN CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)Cc1n[nH]c(=O)[nH]1 ZINC000426589684 419513377 /nfs/dbraw/zinc/51/33/77/419513377.db2.gz ADVZDKQGCUUQDE-LBPRGKRZSA-N 0 2 315.377 1.038 50 0 DDAALN C[C@H](c1n[nH]c(=O)[nH]1)n1cnc2sc3c(c2c1=O)CCCC3 ZINC000032581789 696124641 /nfs/dbraw/zinc/12/46/41/696124641.db2.gz LNXNQFNNYOBAAA-SSDOTTSWSA-N 0 2 317.374 1.358 50 0 DDAALN O=c1[n-]c([C@H]2CCCC[N@@H+]2Cc2cccc3c2OCO3)n[nH]1 ZINC000585117300 771951823 /nfs/dbraw/zinc/95/18/23/771951823.db2.gz XOSJMPHUHUQQHE-LLVKDONJSA-N 0 2 302.334 1.966 50 0 DDAALN O=c1[n-]c([C@H]2CCCC[N@H+]2Cc2cccc3c2OCO3)n[nH]1 ZINC000585117300 771951824 /nfs/dbraw/zinc/95/18/24/771951824.db2.gz XOSJMPHUHUQQHE-LLVKDONJSA-N 0 2 302.334 1.966 50 0 DDAALN COc1ccc(NC(=O)CSc2nncc(=O)[nH]2)c(OC)c1 ZINC000004292241 181093500 /nfs/dbraw/zinc/09/35/00/181093500.db2.gz NVZPAZSMUXPIAX-UHFFFAOYSA-N 0 2 322.346 1.325 50 0 DDAALN O=C([O-])[C@H]1CCC[N@@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000238101468 304187675 /nfs/dbraw/zinc/18/76/75/304187675.db2.gz NJRUCPAXJROXOQ-CYBMUJFWSA-N 0 2 306.753 1.970 50 0 DDAALN O=C([O-])[C@H]1CCC[N@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000238101468 304187677 /nfs/dbraw/zinc/18/76/77/304187677.db2.gz NJRUCPAXJROXOQ-CYBMUJFWSA-N 0 2 306.753 1.970 50 0 DDAALN COc1ccc(S(=O)(=O)Nc2nccs2)cc1OC ZINC000000212592 406632269 /nfs/dbraw/zinc/63/22/69/406632269.db2.gz LVMRKNBLNUYRAG-UHFFFAOYSA-N 0 2 300.361 1.961 50 0 DDAALN CCS(=O)(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000002777966 406697648 /nfs/dbraw/zinc/69/76/48/406697648.db2.gz SBMNNUVHRUJBDT-UHFFFAOYSA-N 0 2 300.771 1.741 50 0 DDAALN O=C(Cc1c(=O)[nH]c2ccccc2c1O)NCc1cccnc1 ZINC000008973862 406800539 /nfs/dbraw/zinc/80/05/39/406800539.db2.gz FJBIZOPWPYZMGN-UHFFFAOYSA-N 0 2 309.325 1.488 50 0 DDAALN O=C(c1cccc(-n2cccn2)c1)N1CCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000077321487 406984099 /nfs/dbraw/zinc/98/40/99/406984099.db2.gz GVEXJTCOJPPQTC-CYBMUJFWSA-N 0 2 324.344 1.261 50 0 DDAALN O=C([O-])C1CC[NH+](Cc2nncn2-c2ccccc2F)CC1 ZINC000085346261 407098970 /nfs/dbraw/zinc/09/89/70/407098970.db2.gz SBQLAUZBQUFGMI-UHFFFAOYSA-N 0 2 304.325 1.703 50 0 DDAALN CONC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000048477148 407099805 /nfs/dbraw/zinc/09/98/05/407099805.db2.gz QGIUKVOZVQLOMT-UHFFFAOYSA-N 0 2 307.169 1.260 50 0 DDAALN CCCSc1ccc(NC(=O)NCc2n[nH]c(=O)[nH]2)cc1 ZINC000096148225 407240684 /nfs/dbraw/zinc/24/06/84/407240684.db2.gz CQZWQBGDKMGIIB-UHFFFAOYSA-N 0 2 307.379 1.922 50 0 DDAALN CCCC[C@H]1C(=O)N(C)CC[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000065506562 407244173 /nfs/dbraw/zinc/24/41/73/407244173.db2.gz FNRHUFJDDVEKPR-AWEZNQCLSA-N 0 2 305.378 1.613 50 0 DDAALN CCCC[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000065506562 407244175 /nfs/dbraw/zinc/24/41/75/407244175.db2.gz FNRHUFJDDVEKPR-AWEZNQCLSA-N 0 2 305.378 1.613 50 0 DDAALN CCCC[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000065506560 407244461 /nfs/dbraw/zinc/24/44/61/407244461.db2.gz FNRHUFJDDVEKPR-CQSZACIVSA-N 0 2 305.378 1.613 50 0 DDAALN CCCC[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ncccc1C(=O)[O-] ZINC000065506560 407244462 /nfs/dbraw/zinc/24/44/62/407244462.db2.gz FNRHUFJDDVEKPR-CQSZACIVSA-N 0 2 305.378 1.613 50 0 DDAALN Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc2[nH]c[nH+]c21 ZINC000097164229 407284632 /nfs/dbraw/zinc/28/46/32/407284632.db2.gz UKOJXHBGNDDHLB-UHFFFAOYSA-N 0 2 305.363 1.714 50 0 DDAALN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cn2)c(C)c1 ZINC000069674935 418487865 /nfs/dbraw/zinc/48/78/65/418487865.db2.gz BRFOQZMOSLXVPC-UHFFFAOYSA-N 0 2 320.370 2.286 50 0 DDAALN Cc1cccc(CC(=O)N2CCc3c(nc4cc[nH]n4c3=O)C2)c1 ZINC000102990095 418495722 /nfs/dbraw/zinc/49/57/22/418495722.db2.gz PNPIIADEJNOPFZ-UHFFFAOYSA-N 0 2 322.368 1.458 50 0 DDAALN Cc1nn2c(ncc(C(=O)N[C@H]3CCc4ccccc4C3)c2=O)[nH]1 ZINC000220476733 302645516 /nfs/dbraw/zinc/64/55/16/302645516.db2.gz OHTUDLADDYJOCF-ZDUSSCGKSA-N 0 2 323.356 1.013 50 0 DDAALN CCc1ccc2occ(C(=O)NCCc3n[nH]c(=O)[nH]3)c2c1 ZINC000952845532 775568843 /nfs/dbraw/zinc/56/88/43/775568843.db2.gz QHPXVWKHBYALRX-UHFFFAOYSA-N 0 2 300.318 1.791 50 0 DDAALN Cc1ncsc1CCC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] ZINC000095501923 185375105 /nfs/dbraw/zinc/37/51/05/185375105.db2.gz ZTSBZOZUFJFJIK-NSHDSACASA-N 0 2 320.374 1.145 50 0 DDAALN Cc1ncsc1CCC(=O)N1Cc2[nH]c[nH+]c2C[C@H]1C(=O)[O-] ZINC000095501923 185375106 /nfs/dbraw/zinc/37/51/06/185375106.db2.gz ZTSBZOZUFJFJIK-NSHDSACASA-N 0 2 320.374 1.145 50 0 DDAALN CSc1nc(C)cc(NS(=O)(=O)c2ccc(N)cc2)n1 ZINC000000392451 352109235 /nfs/dbraw/zinc/10/92/35/352109235.db2.gz GJVZPTVQXBMVHL-UHFFFAOYSA-N 0 2 310.404 1.890 50 0 DDAALN COc1cccc(-c2cc(=O)n([C@@H]3CCS(=O)(=O)C3)[nH]2)c1 ZINC000049551410 352555522 /nfs/dbraw/zinc/55/55/22/352555522.db2.gz XWPREFFGIIZEPT-LLVKDONJSA-N 0 2 308.359 1.212 50 0 DDAALN N=C1NC(=O)C(CC(=O)Nc2ccccc2OC(F)F)S1 ZINC000005649807 181268172 /nfs/dbraw/zinc/26/81/72/181268172.db2.gz DHOLKFYAXHXPKN-QMMMGPOBSA-N 0 2 315.301 1.783 50 0 DDAALN N=C1NC(=O)[C@H](CC(=O)Nc2ccccc2OC(F)F)S1 ZINC000005649807 181268173 /nfs/dbraw/zinc/26/81/73/181268173.db2.gz DHOLKFYAXHXPKN-QMMMGPOBSA-N 0 2 315.301 1.783 50 0 DDAALN Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000237653286 202318611 /nfs/dbraw/zinc/31/86/11/202318611.db2.gz ICRIEOMXKVVPGO-CQSZACIVSA-N 0 2 320.389 1.347 50 0 DDAALN Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000237653286 202318613 /nfs/dbraw/zinc/31/86/13/202318613.db2.gz ICRIEOMXKVVPGO-CQSZACIVSA-N 0 2 320.389 1.347 50 0 DDAALN O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccccc1 ZINC000007883112 406769231 /nfs/dbraw/zinc/76/92/31/406769231.db2.gz OSBXRUPMIIFAGB-GFCCVEGCSA-N 0 2 319.386 1.345 50 0 DDAALN Cc1[nH]nc(C(N)=O)c1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000071888293 406862725 /nfs/dbraw/zinc/86/27/25/406862725.db2.gz CMXQBSSYBKRNTF-UHFFFAOYSA-N 0 2 316.346 1.521 50 0 DDAALN O=C([O-])[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)[C@@H]1c1cccs1 ZINC000072275681 406877248 /nfs/dbraw/zinc/87/72/48/406877248.db2.gz LBDHJEMVGIXLGO-RISCZKNCSA-N 0 2 324.402 1.055 50 0 DDAALN COc1ccccc1C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1 ZINC000101449792 407309719 /nfs/dbraw/zinc/30/97/19/407309719.db2.gz PJTIOCBQHHILHB-JTQLQIEISA-N 0 2 308.359 1.624 50 0 DDAALN COc1ccccc1-c1cc(=O)n([C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000101449792 407309721 /nfs/dbraw/zinc/30/97/21/407309721.db2.gz PJTIOCBQHHILHB-JTQLQIEISA-N 0 2 308.359 1.624 50 0 DDAALN CCn1c(=O)c2ccc(C(=O)NCC[C@H](C)O)cc2[nH]c1=S ZINC000136023596 408068585 /nfs/dbraw/zinc/06/85/85/408068585.db2.gz LYLSTFXAZQCLEJ-VIFPVBQESA-N 0 2 321.402 1.206 50 0 DDAALN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000262089509 222272083 /nfs/dbraw/zinc/27/20/83/222272083.db2.gz GUBPQSHCYQZVRB-ZDUSSCGKSA-N 0 2 301.346 1.904 50 0 DDAALN O=C([O-])[C@@H]1CCC[N@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000262089509 222272086 /nfs/dbraw/zinc/27/20/86/222272086.db2.gz GUBPQSHCYQZVRB-ZDUSSCGKSA-N 0 2 301.346 1.904 50 0 DDAALN C[C@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000583934703 422222251 /nfs/dbraw/zinc/22/22/51/422222251.db2.gz RTHVTHCCGFWGGI-WFASDCNBSA-N 0 2 318.373 1.178 50 0 DDAALN COC(=O)c1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1 ZINC000006700207 181373055 /nfs/dbraw/zinc/37/30/55/181373055.db2.gz HCKXLCHJLRGSIH-UHFFFAOYSA-N 0 2 309.347 1.316 50 0 DDAALN CC(C)[C@@H](NC(=O)Cn1[nH]c(=O)ccc1=O)c1ccccc1 ZINC000065622615 184374859 /nfs/dbraw/zinc/37/48/59/184374859.db2.gz QTUVDUKJUXUHOP-MRXNPFEDSA-N 0 2 301.346 1.050 50 0 DDAALN Cc1cc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)n(C)n1 ZINC000066247917 184398963 /nfs/dbraw/zinc/39/89/63/184398963.db2.gz HJXLSUHHUPZPBW-UHFFFAOYSA-N 0 2 320.378 1.119 50 0 DDAALN 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322.434 1.721 50 0 DDAALN CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000021847992 182294999 /nfs/dbraw/zinc/29/49/99/182294999.db2.gz CEYJVLFJSHAPHS-JTQLQIEISA-N 0 2 321.402 1.760 50 0 DDAALN CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000021847992 182295000 /nfs/dbraw/zinc/29/50/00/182295000.db2.gz CEYJVLFJSHAPHS-JTQLQIEISA-N 0 2 321.402 1.760 50 0 DDAALN CCOC(=O)[C@H]1CCCN(Cc2nc(=O)c3sccc3[nH]2)C1 ZINC000021847992 182295002 /nfs/dbraw/zinc/29/50/02/182295002.db2.gz CEYJVLFJSHAPHS-JTQLQIEISA-N 0 2 321.402 1.760 50 0 DDAALN O=c1[nH]nc(SCc2ccc(Br)cc2)c(=O)[nH]1 ZINC000002471774 406688246 /nfs/dbraw/zinc/68/82/46/406688246.db2.gz SJWDHDATHGSGFT-UHFFFAOYSA-N 0 2 314.164 1.925 50 0 DDAALN O=C(CCNc1nc(Cl)nc2[nH]cnc21)NCc1ccco1 ZINC000009486200 406808761 /nfs/dbraw/zinc/80/87/61/406808761.db2.gz UULHHRKFNLSCRQ-UHFFFAOYSA-N 0 2 320.740 1.718 50 0 DDAALN Cc1cc(O)ccc1NC(=O)C[C@H]([NH2+]Cc1ccco1)C(=O)[O-] ZINC000010186480 406819521 /nfs/dbraw/zinc/81/95/21/406819521.db2.gz 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/nfs/dbraw/zinc/79/85/10/408798510.db2.gz IOHHCSVOOPUUAW-MRXNPFEDSA-N 0 2 305.378 1.369 50 0 DDAALN C[N@@H+](CC(=O)N1CCCC[C@]1(C)C(=O)[O-])Cc1cccnc1 ZINC000252488263 408798512 /nfs/dbraw/zinc/79/85/12/408798512.db2.gz IOHHCSVOOPUUAW-MRXNPFEDSA-N 0 2 305.378 1.369 50 0 DDAALN CC1CCC(C)(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)CC1 ZINC000069433895 281716343 /nfs/dbraw/zinc/71/63/43/281716343.db2.gz GYSQXDWJOFGZPO-UHFFFAOYSA-N 0 2 316.361 1.310 50 0 DDAALN COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000237502938 186298197 /nfs/dbraw/zinc/29/81/97/186298197.db2.gz BWXVFFOEYMORPA-GFCCVEGCSA-N 0 2 303.318 1.794 50 0 DDAALN COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000237502938 186298199 /nfs/dbraw/zinc/29/81/99/186298199.db2.gz BWXVFFOEYMORPA-GFCCVEGCSA-N 0 2 303.318 1.794 50 0 DDAALN N=C1NC(=O)C(CC(=O)Nc2c(F)c(F)cc(F)c2F)S1 ZINC000004575059 181126129 /nfs/dbraw/zinc/12/61/29/181126129.db2.gz CNJOTGCNGXLYFM-RXMQYKEDSA-N 0 2 321.255 1.738 50 0 DDAALN N=C1NC(=O)[C@@H](CC(=O)Nc2c(F)c(F)cc(F)c2F)S1 ZINC000004575059 181126131 /nfs/dbraw/zinc/12/61/31/181126131.db2.gz CNJOTGCNGXLYFM-RXMQYKEDSA-N 0 2 321.255 1.738 50 0 DDAALN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000237376170 202247735 /nfs/dbraw/zinc/24/77/35/202247735.db2.gz QIBLDOWGXHVLGA-MCIONIFRSA-N 0 2 312.410 1.247 50 0 DDAALN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000237376170 202247738 /nfs/dbraw/zinc/24/77/38/202247738.db2.gz QIBLDOWGXHVLGA-MCIONIFRSA-N 0 2 312.410 1.247 50 0 DDAALN CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1n[nH]c(=O)[nH]1 ZINC000091626814 193081944 /nfs/dbraw/zinc/08/19/44/193081944.db2.gz WDJMCTOZZDKUGD-UHFFFAOYSA-N 0 2 321.356 1.476 50 0 DDAALN Cn1ccc(NS(=O)(=O)c2ccc(F)c3ncccc23)n1 ZINC000024579317 182384281 /nfs/dbraw/zinc/38/42/81/182384281.db2.gz BHXVNCVSYUFPRE-UHFFFAOYSA-N 0 2 306.322 1.908 50 0 DDAALN Cc1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)no1 ZINC000000093378 406621034 /nfs/dbraw/zinc/62/10/34/406621034.db2.gz 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