smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+](CC[C@@H]1CCCN1C)C1CCCC1 ZINC000161412595 349441498 /nfs/dbraw/zinc/44/14/98/349441498.db2.gz GOJFYBIOQGTPCR-ZDUSSCGKSA-N 1 1 224.392 2.735 20 70 BFIDMO CC[N@@H+](CC[C@@H]1CCCN1C)C1CCCC1 ZINC000161412595 349441499 /nfs/dbraw/zinc/44/14/99/349441499.db2.gz GOJFYBIOQGTPCR-ZDUSSCGKSA-N 1 1 224.392 2.735 20 70 BFIDMO Cc1cccc([C@@H]2CCC[N@H+]2CC2CC2)n1 ZINC000159926067 345661090 /nfs/dbraw/zinc/66/10/90/345661090.db2.gz YTJLZOVBPPMPMR-AWEZNQCLSA-N 1 1 216.328 2.937 20 70 BFIDMO Cc1cccc([C@H]2CCC[N@@H+]2CCOC(C)C)n1 ZINC000160036214 345788952 /nfs/dbraw/zinc/78/89/52/345788952.db2.gz LWSLLRKANSEDER-OAHLLOKOSA-N 1 1 248.370 2.952 20 70 BFIDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccco1 ZINC000161193392 346479291 /nfs/dbraw/zinc/47/92/91/346479291.db2.gz OAHJNZUTBCBVOP-QWHCGFSZSA-N 1 1 236.359 2.805 20 70 BFIDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccco1 ZINC000161193392 346479292 /nfs/dbraw/zinc/47/92/92/346479292.db2.gz OAHJNZUTBCBVOP-QWHCGFSZSA-N 1 1 236.359 2.805 20 70 BFIDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccco1 ZINC000161193529 346479789 /nfs/dbraw/zinc/47/97/89/346479789.db2.gz OAHJNZUTBCBVOP-STQMWFEESA-N 1 1 236.359 2.805 20 70 BFIDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccco1 ZINC000161193529 346479791 /nfs/dbraw/zinc/47/97/91/346479791.db2.gz OAHJNZUTBCBVOP-STQMWFEESA-N 1 1 236.359 2.805 20 70 BFIDMO CCC(CC)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000161045163 349366451 /nfs/dbraw/zinc/36/64/51/349366451.db2.gz NDWKUAMACYIHPC-CQSZACIVSA-N 1 1 224.392 2.593 20 70 BFIDMO CCC(CC)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000161045163 349366454 /nfs/dbraw/zinc/36/64/54/349366454.db2.gz NDWKUAMACYIHPC-CQSZACIVSA-N 1 1 224.392 2.593 20 70 BFIDMO CCC(CC)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000161045163 349366457 /nfs/dbraw/zinc/36/64/57/349366457.db2.gz NDWKUAMACYIHPC-CQSZACIVSA-N 1 1 224.392 2.593 20 70 BFIDMO C[N@H+](Cc1cncs1)Cc1ccc(F)cc1 ZINC000161143195 351082760 /nfs/dbraw/zinc/08/27/60/351082760.db2.gz KEKRXZFYHQQFLE-UHFFFAOYSA-N 1 1 236.315 2.914 20 70 BFIDMO C[N@@H+](Cc1cncs1)Cc1ccc(F)cc1 ZINC000161143195 351082762 /nfs/dbraw/zinc/08/27/62/351082762.db2.gz KEKRXZFYHQQFLE-UHFFFAOYSA-N 1 1 236.315 2.914 20 70 BFIDMO CCOCCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160400075 538884639 /nfs/dbraw/zinc/88/46/39/538884639.db2.gz ALAAZQXMSPAQDD-HNNXBMFYSA-N 1 1 248.370 2.954 20 70 BFIDMO Cn1c2ccccc2[nH+]c1NC1CC=CC1 ZINC000160556199 538885207 /nfs/dbraw/zinc/88/52/07/538885207.db2.gz IAOGBVQJWCHEAA-UHFFFAOYSA-N 1 1 213.284 2.704 20 70 BFIDMO CCc1nnc(C[NH2+][C@H](C)c2ccccc2C)[nH]1 ZINC000160269210 361303330 /nfs/dbraw/zinc/30/33/30/361303330.db2.gz LIWSHNNLNOBASB-LLVKDONJSA-N 1 1 244.342 2.526 20 70 BFIDMO c1cc2c(c(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)c1)NCC2 ZINC000160573332 183364959 /nfs/dbraw/zinc/36/49/59/183364959.db2.gz TZGJMHLYMPRQMA-OKILXGFUSA-N 1 1 242.366 2.887 20 70 BFIDMO Cc1ccc(CC[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159729099 384352648 /nfs/dbraw/zinc/35/26/48/384352648.db2.gz XOWLBCHMUZQEKM-HOTGVXAUSA-N 1 1 247.382 2.630 20 70 BFIDMO C[C@@H](C[N@@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159767569 384355767 /nfs/dbraw/zinc/35/57/67/384355767.db2.gz OSACTHZYSYTOSI-BPUTZDHNSA-N 1 1 247.382 2.883 20 70 BFIDMO COc1ccc(C[N@H+](C)Cc2cncs2)cc1 ZINC000159851995 384364824 /nfs/dbraw/zinc/36/48/24/384364824.db2.gz POAUOVLVDUWBLF-UHFFFAOYSA-N 1 1 248.351 2.784 20 70 BFIDMO COc1ccc(C[N@@H+](C)Cc2cncs2)cc1 ZINC000159851995 384364829 /nfs/dbraw/zinc/36/48/29/384364829.db2.gz POAUOVLVDUWBLF-UHFFFAOYSA-N 1 1 248.351 2.784 20 70 BFIDMO C[N@@H+](CCc1ccncc1)CCC(C)(C)C ZINC000161251352 384477169 /nfs/dbraw/zinc/47/71/69/384477169.db2.gz FCPFKPGECCFFQI-UHFFFAOYSA-N 1 1 220.360 2.992 20 70 BFIDMO CCCC[C@@H](C(=O)OC)[N@@H+](CC)CCCC ZINC000161011392 384676851 /nfs/dbraw/zinc/67/68/51/384676851.db2.gz HZXCBSHSBRYROB-LBPRGKRZSA-N 1 1 229.364 2.840 20 70 BFIDMO C[N@@H+](CCC1CCCC1)C[C@@H]1CCCO1 ZINC000160273032 384733253 /nfs/dbraw/zinc/73/32/53/384733253.db2.gz RNXOMBHYGGIHNB-ZDUSSCGKSA-N 1 1 211.349 2.678 20 70 BFIDMO CCCC[C@@H](C(=O)OC)[N@@H+](CC)CC(C)C ZINC000161012142 384735615 /nfs/dbraw/zinc/73/56/15/384735615.db2.gz DBZQFYDYFOBHPA-LBPRGKRZSA-N 1 1 229.364 2.696 20 70 BFIDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000161012805 384832450 /nfs/dbraw/zinc/83/24/50/384832450.db2.gz DZDCBCUCOMLUSB-LLVKDONJSA-N 1 1 245.775 2.748 20 70 BFIDMO C[C@H]1CC[C@H](C)[N@H+](CCCN2CCCCC2)C1 ZINC000161341254 384976919 /nfs/dbraw/zinc/97/69/19/384976919.db2.gz ZAGNDACOKXKKFL-GJZGRUSLSA-N 1 1 238.419 2.983 20 70 BFIDMO C[C@H]1CC[C@H](C)[N@@H+](CCCN2CCCCC2)C1 ZINC000161341254 384976927 /nfs/dbraw/zinc/97/69/27/384976927.db2.gz ZAGNDACOKXKKFL-GJZGRUSLSA-N 1 1 238.419 2.983 20 70 BFIDMO C[C@@H]1CC[C@H](C)C[N@H+]1CCCN1CCCCC1 ZINC000161341439 384979101 /nfs/dbraw/zinc/97/91/01/384979101.db2.gz ZAGNDACOKXKKFL-LSDHHAIUSA-N 1 1 238.419 2.983 20 70 BFIDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCCN1CCCCC1 ZINC000161341439 384979110 /nfs/dbraw/zinc/97/91/10/384979110.db2.gz ZAGNDACOKXKKFL-LSDHHAIUSA-N 1 1 238.419 2.983 20 70 BFIDMO C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]1C ZINC000161408938 385016934 /nfs/dbraw/zinc/01/69/34/385016934.db2.gz MQDNHFIKGOHWCC-ZIAGYGMSSA-N 1 1 224.392 2.593 20 70 BFIDMO C[C@@H]1CC[N@H+](CCCN2CCCCC2)[C@@H]1C ZINC000161408938 385016938 /nfs/dbraw/zinc/01/69/38/385016938.db2.gz MQDNHFIKGOHWCC-ZIAGYGMSSA-N 1 1 224.392 2.593 20 70 BFIDMO C[C@@H]1CC[N@@H+](CCCN2CCCCC2)[C@@H]1C ZINC000161408938 385016940 /nfs/dbraw/zinc/01/69/40/385016940.db2.gz MQDNHFIKGOHWCC-ZIAGYGMSSA-N 1 1 224.392 2.593 20 70 BFIDMO CC[C@H]1CCCC[N@H+]1C[C@@H](O)C(C)(C)C ZINC000216905108 134177754 /nfs/dbraw/zinc/17/77/54/134177754.db2.gz GPFNRRASLSTKHU-NWDGAFQWSA-N 1 1 213.365 2.658 20 70 BFIDMO COc1cccc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000217923084 175279807 /nfs/dbraw/zinc/27/98/07/175279807.db2.gz DFIFMZKHUOGYBI-SLEUVZQESA-N 1 1 248.370 2.836 20 70 BFIDMO COc1cccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000217922948 175280230 /nfs/dbraw/zinc/28/02/30/175280230.db2.gz DFIFMZKHUOGYBI-YWPYICTPSA-N 1 1 248.370 2.836 20 70 BFIDMO CC[C@H](C)C[N@@H+](C)Cc1cnc2ccccn12 ZINC000160339552 323065058 /nfs/dbraw/zinc/06/50/58/323065058.db2.gz CWLLULOAVAOBLU-LBPRGKRZSA-N 1 1 231.343 2.812 20 70 BFIDMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]1C ZINC000160892367 323137883 /nfs/dbraw/zinc/13/78/83/323137883.db2.gz CJMLSUJHEPYCTL-LLVKDONJSA-N 1 1 229.327 2.627 20 70 BFIDMO C(CN1CCCCC1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000161408895 349439786 /nfs/dbraw/zinc/43/97/86/349439786.db2.gz NFMHUQYKQVMGHM-GASCZTMLSA-N 1 1 236.403 2.594 20 70 BFIDMO C(CN1CCCCC1)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000161408895 349439790 /nfs/dbraw/zinc/43/97/90/349439790.db2.gz NFMHUQYKQVMGHM-GASCZTMLSA-N 1 1 236.403 2.594 20 70 BFIDMO C(CN1CCCCC1)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000161409148 349439910 /nfs/dbraw/zinc/43/99/10/349439910.db2.gz NFMHUQYKQVMGHM-GJZGRUSLSA-N 1 1 236.403 2.594 20 70 BFIDMO CC(C)[C@@H]1CC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000160752986 362169008 /nfs/dbraw/zinc/16/90/08/362169008.db2.gz PGETWDCODOFMGI-GFCCVEGCSA-N 1 1 249.329 2.986 20 70 BFIDMO CC(C)[C@@H]1CC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000160752986 362169011 /nfs/dbraw/zinc/16/90/11/362169011.db2.gz PGETWDCODOFMGI-GFCCVEGCSA-N 1 1 249.329 2.986 20 70 BFIDMO CC[C@H]1CC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000160776924 362233745 /nfs/dbraw/zinc/23/37/45/362233745.db2.gz QWOJPKAXYYIQQK-NSHDSACASA-N 1 1 235.302 2.740 20 70 BFIDMO CC[C@H]1CC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000160776924 362233749 /nfs/dbraw/zinc/23/37/49/362233749.db2.gz QWOJPKAXYYIQQK-NSHDSACASA-N 1 1 235.302 2.740 20 70 BFIDMO CCC(CC)C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000161045945 345212674 /nfs/dbraw/zinc/21/26/74/345212674.db2.gz FRAFJSFHUAOWGX-DGCLKSJQSA-N 1 1 213.365 2.658 20 70 BFIDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCF)n1 ZINC000159718474 345503924 /nfs/dbraw/zinc/50/39/24/345503924.db2.gz FKBNLECNPSAOKJ-ZDUSSCGKSA-N 1 1 222.307 2.887 20 70 BFIDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCCCO)n1 ZINC000159720980 345504365 /nfs/dbraw/zinc/50/43/65/345504365.db2.gz KPGJLSHWQGPXOH-HNNXBMFYSA-N 1 1 248.370 2.690 20 70 BFIDMO C[N@H+](Cc1cncs1)Cc1cccc(F)c1 ZINC000160458666 384415005 /nfs/dbraw/zinc/41/50/05/384415005.db2.gz MEVWOKNMLIJWKG-UHFFFAOYSA-N 1 1 236.315 2.914 20 70 BFIDMO C[N@@H+](Cc1cncs1)Cc1cccc(F)c1 ZINC000160458666 384415011 /nfs/dbraw/zinc/41/50/11/384415011.db2.gz MEVWOKNMLIJWKG-UHFFFAOYSA-N 1 1 236.315 2.914 20 70 BFIDMO c1ccc2[nH+]c(N[C@@H]3CCCSC3)[nH]c2c1 ZINC000160555272 384419462 /nfs/dbraw/zinc/41/94/62/384419462.db2.gz DIAQAQAUHOJNGC-SECBINFHSA-N 1 1 233.340 2.870 20 70 BFIDMO CC[C@H](C)C[N@H+](C)CCCN1CCCCC1 ZINC000161048177 384939670 /nfs/dbraw/zinc/93/96/70/384939670.db2.gz VZBTUYRXZSVGQI-AWEZNQCLSA-N 1 1 226.408 2.840 20 70 BFIDMO CC[C@H](C)C[N@@H+](C)CCCN1CCCCC1 ZINC000161048177 384939677 /nfs/dbraw/zinc/93/96/77/384939677.db2.gz VZBTUYRXZSVGQI-AWEZNQCLSA-N 1 1 226.408 2.840 20 70 BFIDMO C[C@@H]([NH2+]CCC(F)(F)F)c1cscn1 ZINC000161220596 387151890 /nfs/dbraw/zinc/15/18/90/387151890.db2.gz ZFPNIMLZIZHSAK-ZCFIWIBFSA-N 1 1 224.251 2.746 20 70 BFIDMO CCOCCC[N@@H+](C)[C@H](C)c1ccco1 ZINC000159761439 388029682 /nfs/dbraw/zinc/02/96/82/388029682.db2.gz GAODXBLKCRWJAC-LLVKDONJSA-N 1 1 211.305 2.699 20 70 BFIDMO c1ccc([C@@H]2CC[N@H+](CCOCC3CC3)C2)cc1 ZINC000159808050 388031609 /nfs/dbraw/zinc/03/16/09/388031609.db2.gz VIAGVOVUDXFAHE-MRXNPFEDSA-N 1 1 245.366 2.903 20 70 BFIDMO CCCC[C@@H](C(=O)OC)[N@@H+](C)CC(C)(C)C ZINC000160664053 388082082 /nfs/dbraw/zinc/08/20/82/388082082.db2.gz BIBUVIBSXPYBJQ-NSHDSACASA-N 1 1 229.364 2.696 20 70 BFIDMO C[C@H]1CCC[N@@H+](C[C@@H](O)C(C)(C)C)CC1 ZINC000216830177 134159237 /nfs/dbraw/zinc/15/92/37/134159237.db2.gz TUTNJJAZWIEFDR-NWDGAFQWSA-N 1 1 213.365 2.515 20 70 BFIDMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)C(C)(C)C ZINC000216905073 134177647 /nfs/dbraw/zinc/17/76/47/134177647.db2.gz GPFNRRASLSTKHU-VXGBXAGGSA-N 1 1 213.365 2.658 20 70 BFIDMO CC(C)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159444434 397947027 /nfs/dbraw/zinc/94/70/27/397947027.db2.gz KYICORGTRQDQEL-MRXNPFEDSA-N 1 1 245.366 2.816 20 70 BFIDMO CCSCCn1c[nH+]c2c1CCCC2 ZINC000160403714 397972543 /nfs/dbraw/zinc/97/25/43/397972543.db2.gz YWTDQUPCHSELSO-UHFFFAOYSA-N 1 1 210.346 2.515 20 70 BFIDMO C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000217139537 176022399 /nfs/dbraw/zinc/02/23/99/176022399.db2.gz KXMNBJNSFZOWQM-DZGCQCFKSA-N 1 1 232.371 2.774 20 70 BFIDMO C[C@@H](c1ccccc1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000217139537 176022400 /nfs/dbraw/zinc/02/24/00/176022400.db2.gz KXMNBJNSFZOWQM-DZGCQCFKSA-N 1 1 232.371 2.774 20 70 BFIDMO C[C@H](c1ccccc1F)[N@@H+](C)CCn1ccnc1 ZINC000161425248 177041082 /nfs/dbraw/zinc/04/10/82/177041082.db2.gz IDNQNROPOKLDGU-GFCCVEGCSA-N 1 1 247.317 2.715 20 70 BFIDMO CC(C)[N@@H+](Cc1cc[nH]n1)C1CCCCC1 ZINC000159772958 323047493 /nfs/dbraw/zinc/04/74/93/323047493.db2.gz HLHZEKRHANOYJE-UHFFFAOYSA-N 1 1 221.348 2.953 20 70 BFIDMO CC(C)[N@@H+](CCCF)CCc1nccs1 ZINC000159902452 323075316 /nfs/dbraw/zinc/07/53/16/323075316.db2.gz JKERUQLYDHLLCW-UHFFFAOYSA-N 1 1 230.352 2.756 20 70 BFIDMO CC[C@@H](C)[N@@H+](C)CCNc1nc(Cl)cs1 ZINC000218765122 592179465 /nfs/dbraw/zinc/17/94/65/592179465.db2.gz LYQHOJWWPLXIAT-MRVPVSSYSA-N 1 1 247.795 2.939 20 70 BFIDMO CC[C@@H]1CC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000160776795 362233810 /nfs/dbraw/zinc/23/38/10/362233810.db2.gz QWOJPKAXYYIQQK-LLVKDONJSA-N 1 1 235.302 2.740 20 70 BFIDMO CC[C@@H]1CC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000160776795 362233814 /nfs/dbraw/zinc/23/38/14/362233814.db2.gz QWOJPKAXYYIQQK-LLVKDONJSA-N 1 1 235.302 2.740 20 70 BFIDMO CCC[N@@H+](Cc1ccc(C)cn1)C1CC1 ZINC000159836265 323050412 /nfs/dbraw/zinc/05/04/12/323050412.db2.gz RIBUMTWTNLJJFI-UHFFFAOYSA-N 1 1 204.317 2.764 20 70 BFIDMO CCCCNC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)CC ZINC000160548029 323070425 /nfs/dbraw/zinc/07/04/25/323070425.db2.gz BTBMLECFSSNPBQ-QWHCGFSZSA-N 1 1 242.407 2.659 20 70 BFIDMO 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GOJFYBIOQGTPCR-CYBMUJFWSA-N 1 1 224.392 2.735 20 70 BFIDMO CC[N@@H+](CC[C@H]1CCCN1C)C1CCCC1 ZINC000161412775 349441305 /nfs/dbraw/zinc/44/13/05/349441305.db2.gz GOJFYBIOQGTPCR-CYBMUJFWSA-N 1 1 224.392 2.735 20 70 BFIDMO FCCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159619697 345448779 /nfs/dbraw/zinc/44/87/79/345448779.db2.gz YASXHYKUEGTTRB-OAHLLOKOSA-N 1 1 249.329 2.520 20 70 BFIDMO CCOCCC[N@H+]1CCC[C@H]1CC(C)C ZINC000159938480 345695628 /nfs/dbraw/zinc/69/56/28/345695628.db2.gz DYQSOGWVQRZSEI-ZDUSSCGKSA-N 1 1 213.365 2.924 20 70 BFIDMO CCC(CC)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000161044543 349366170 /nfs/dbraw/zinc/36/61/70/349366170.db2.gz VOIVEIRVIUASIP-CQSZACIVSA-N 1 1 224.392 2.593 20 70 BFIDMO CCOCCC[N@@H+](CC)Cc1ccoc1 ZINC000160249409 355709951 /nfs/dbraw/zinc/70/99/51/355709951.db2.gz UWOQZXMJKNJCQL-UHFFFAOYSA-N 1 1 211.305 2.528 20 70 BFIDMO CCSCC[N@@H+](CCOC)C(CC)CC ZINC000160459018 356981970 /nfs/dbraw/zinc/98/19/70/356981970.db2.gz XXTORVNBANJPGD-UHFFFAOYSA-N 1 1 233.421 2.877 20 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BFIDMO CC(C)=CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000216737272 386794621 /nfs/dbraw/zinc/79/46/21/386794621.db2.gz YPZDYTYERZTKNN-MRXNPFEDSA-N 1 1 244.382 2.941 20 70 BFIDMO CCCCC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000217231730 387794878 /nfs/dbraw/zinc/79/48/78/387794878.db2.gz CGDSZZRUHWVGMU-STQMWFEESA-N 1 1 213.365 2.802 20 70 BFIDMO C[C@@H](c1ccco1)[N@@H+](C)CCOCC1CC1 ZINC000159757927 388029728 /nfs/dbraw/zinc/02/97/28/388029728.db2.gz BPPUGLZNHCLWPM-NSHDSACASA-N 1 1 223.316 2.699 20 70 BFIDMO CCCC[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000159805340 388031780 /nfs/dbraw/zinc/03/17/80/388031780.db2.gz JPSCKKSPKQVVPT-UHFFFAOYSA-N 1 1 211.280 2.763 20 70 BFIDMO CC[C@@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000159851713 171011480 /nfs/dbraw/zinc/01/14/80/171011480.db2.gz ZPKKSNOZHNPBCK-SNVBAGLBSA-N 1 1 223.291 2.763 20 70 BFIDMO CC[C@@](C)(O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000161233421 171180959 /nfs/dbraw/zinc/18/09/59/171180959.db2.gz YCWPTDRSUTXOEB-HZPDHXFCSA-N 1 1 247.382 2.712 20 70 BFIDMO C[N@H+](Cc1cnc2ccccn12)CC1CCC1 ZINC000160348986 323065015 /nfs/dbraw/zinc/06/50/15/323065015.db2.gz WKCGRFIOTPBOJY-UHFFFAOYSA-N 1 1 229.327 2.566 20 70 BFIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)N(CC)CC ZINC000160587930 323073178 /nfs/dbraw/zinc/07/31/78/323073178.db2.gz SPKCTLGMMMDWHB-STQMWFEESA-N 1 1 242.407 2.611 20 70 BFIDMO CC[C@@H]1CCCC[N@H+]1Cc1nccn1CC ZINC000160670419 529274257 /nfs/dbraw/zinc/27/42/57/529274257.db2.gz VPSOQBYQCQPAEP-GFCCVEGCSA-N 1 1 221.348 2.668 20 70 BFIDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cncnc1 ZINC000161126823 538914558 /nfs/dbraw/zinc/91/45/58/538914558.db2.gz FTLXFRUUWOBBNQ-UHFFFAOYSA-N 1 1 247.729 2.762 20 70 BFIDMO C[N@H+](Cc1cccc(Cl)c1)Cc1cncnc1 ZINC000161126823 538914560 /nfs/dbraw/zinc/91/45/60/538914560.db2.gz FTLXFRUUWOBBNQ-UHFFFAOYSA-N 1 1 247.729 2.762 20 70 BFIDMO C[C@@H]([N@@H+](C)Cc1cnc2ccccn12)C1(C)CC1 ZINC000161442657 349449497 /nfs/dbraw/zinc/44/94/97/349449497.db2.gz BDEAHBSHQREAGT-GFCCVEGCSA-N 1 1 243.354 2.955 20 70 BFIDMO CC(C)[C@H]1CC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000160753124 362169039 /nfs/dbraw/zinc/16/90/39/362169039.db2.gz PGETWDCODOFMGI-LBPRGKRZSA-N 1 1 249.329 2.986 20 70 BFIDMO CC(C)[C@H]1CC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000160753124 362169042 /nfs/dbraw/zinc/16/90/42/362169042.db2.gz PGETWDCODOFMGI-LBPRGKRZSA-N 1 1 249.329 2.986 20 70 BFIDMO CCC(CC)C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000161046076 345216464 /nfs/dbraw/zinc/21/64/64/345216464.db2.gz FRAFJSFHUAOWGX-YPMHNXCESA-N 1 1 213.365 2.658 20 70 BFIDMO CCCc1noc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000160547062 345495575 /nfs/dbraw/zinc/49/55/75/345495575.db2.gz JWSVVMIHSDQLLY-RYUDHWBXSA-N 1 1 249.358 2.787 20 70 BFIDMO c1ccc(CC[N@H+]2CC[C@@H]3CCCC[C@@H]32)nc1 ZINC000159682233 345465731 /nfs/dbraw/zinc/46/57/31/345465731.db2.gz GXENWQRDSBUOQO-ZFWWWQNUSA-N 1 1 230.355 2.889 20 70 BFIDMO c1cc(C[N@H+]2CC=C(c3ccccc3)CC2)n[nH]1 ZINC000159762276 345514790 /nfs/dbraw/zinc/51/47/90/345514790.db2.gz JQMWTWQHPHNBDJ-UHFFFAOYSA-N 1 1 239.322 2.699 20 70 BFIDMO c1cc(C[N@@H+]2CC=C(c3ccccc3)CC2)n[nH]1 ZINC000159762276 345514793 /nfs/dbraw/zinc/51/47/93/345514793.db2.gz JQMWTWQHPHNBDJ-UHFFFAOYSA-N 1 1 239.322 2.699 20 70 BFIDMO CC(C)n1ccnc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000160854729 346467676 /nfs/dbraw/zinc/46/76/76/346467676.db2.gz LPTDVYATGUNBGB-LLVKDONJSA-N 1 1 221.348 2.694 20 70 BFIDMO Cc1cccc(N[C@@H]2CCOC(C)(C)C2)[nH+]1 ZINC000159996143 179155396 /nfs/dbraw/zinc/15/53/96/179155396.db2.gz RPBGMWKFKFKVOW-LLVKDONJSA-N 1 1 220.316 2.760 20 70 BFIDMO Cc1n[nH]cc1C[N@H+](C)Cc1ccccc1C ZINC000160529391 179269989 /nfs/dbraw/zinc/26/99/89/179269989.db2.gz LZWVKERTUPFFRA-UHFFFAOYSA-N 1 1 229.327 2.659 20 70 BFIDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cnc2ccccn12 ZINC000160898234 349336465 /nfs/dbraw/zinc/33/64/65/349336465.db2.gz JSMXIRBUIPCZEH-QWHCGFSZSA-N 1 1 243.354 2.955 20 70 BFIDMO CC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161232619 349404850 /nfs/dbraw/zinc/40/48/50/349404850.db2.gz QMGLLBDCJLLDED-UHFFFAOYSA-N 1 1 243.354 2.961 20 70 BFIDMO CC[C@H](C)[N@@H+](CC)CCC(=O)OC(C)(C)C ZINC000160219296 353738030 /nfs/dbraw/zinc/73/80/30/353738030.db2.gz QHVLJYULZAXFHO-NSHDSACASA-N 1 1 229.364 2.839 20 70 BFIDMO CCC1CCC([N@@H+](C)C[C@H](C)CO)CC1 ZINC000160964633 538456192 /nfs/dbraw/zinc/45/61/92/538456192.db2.gz UMFOSCAQMJSPHE-HIFPTAJRSA-N 1 1 213.365 2.515 20 70 BFIDMO C[C@H](O)C[N@@H+](C)Cc1cc2ccccc2s1 ZINC000159528705 538877614 /nfs/dbraw/zinc/87/76/14/538877614.db2.gz YFRINRXBZNGUKL-JTQLQIEISA-N 1 1 235.352 2.714 20 70 BFIDMO CCOCCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160399941 538884625 /nfs/dbraw/zinc/88/46/25/538884625.db2.gz ALAAZQXMSPAQDD-OAHLLOKOSA-N 1 1 248.370 2.954 20 70 BFIDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)cc1C ZINC000159472201 361238277 /nfs/dbraw/zinc/23/82/77/361238277.db2.gz GXWSXDYIOBILNB-UKRRQHHQSA-N 1 1 233.355 2.506 20 70 BFIDMO COC(=O)C1([N@@H+](C)CCC(C)(C)C)CCCC1 ZINC000159364398 384005687 /nfs/dbraw/zinc/00/56/87/384005687.db2.gz RMKMXEXXMFJAOX-UHFFFAOYSA-N 1 1 241.375 2.840 20 70 BFIDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C(N)=O)c1ccccc1 ZINC000160538088 384416825 /nfs/dbraw/zinc/41/68/25/384416825.db2.gz RGJCMXWTXNVGTP-OCCSQVGLSA-N 1 1 248.370 2.581 20 70 BFIDMO Cc1cc[nH+]c(N[C@@H]2CCOC(C)(C)C2)c1 ZINC000160721381 384432054 /nfs/dbraw/zinc/43/20/54/384432054.db2.gz PKOLRAWIXRBVMT-LLVKDONJSA-N 1 1 220.316 2.760 20 70 BFIDMO CC(=O)CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000160757127 384433736 /nfs/dbraw/zinc/43/37/36/384433736.db2.gz RWAZVZVFHYVDJV-UHFFFAOYSA-N 1 1 235.302 2.769 20 70 BFIDMO CC(=O)CC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000160757127 384433740 /nfs/dbraw/zinc/43/37/40/384433740.db2.gz RWAZVZVFHYVDJV-UHFFFAOYSA-N 1 1 235.302 2.769 20 70 BFIDMO Cn1nccc1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000160810660 384438076 /nfs/dbraw/zinc/43/80/76/384438076.db2.gz ZWWVYYFDIDCBOU-UHFFFAOYSA-N 1 1 249.745 2.706 20 70 BFIDMO Cn1nccc1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000160810660 384438083 /nfs/dbraw/zinc/43/80/83/384438083.db2.gz ZWWVYYFDIDCBOU-UHFFFAOYSA-N 1 1 249.745 2.706 20 70 BFIDMO Cc1ccc(CN(C)CC[C@H]2CCC[N@H+]2C)o1 ZINC000161288640 384479534 /nfs/dbraw/zinc/47/95/34/384479534.db2.gz IKTQODATJDYTLW-CYBMUJFWSA-N 1 1 236.359 2.504 20 70 BFIDMO Cc1occc1CN(C)CC[C@H]1CCC[N@H+]1C ZINC000161474213 384493376 /nfs/dbraw/zinc/49/33/76/384493376.db2.gz WKWIYPVTANWCKF-CQSZACIVSA-N 1 1 236.359 2.504 20 70 BFIDMO Cc1nc(N[C@H]2CCOC(C)(C)C2)c(C)c(C)[nH+]1 ZINC000160621467 387112529 /nfs/dbraw/zinc/11/25/29/387112529.db2.gz GTRZKXYITFFVTK-LBPRGKRZSA-N 1 1 249.358 2.771 20 70 BFIDMO CCn1ccnc1C[N@H+](CCC(C)C)C1CC1 ZINC000160759522 387518407 /nfs/dbraw/zinc/51/84/07/387518407.db2.gz SUHVMYYDNGGSTA-UHFFFAOYSA-N 1 1 235.375 2.914 20 70 BFIDMO CCn1ccnc1C[N@@H+](CCC(C)C)C1CC1 ZINC000160759522 387518410 /nfs/dbraw/zinc/51/84/10/387518410.db2.gz SUHVMYYDNGGSTA-UHFFFAOYSA-N 1 1 235.375 2.914 20 70 BFIDMO c1ccc([C@H]2CC[N@H+](CCOCC3CC3)C2)cc1 ZINC000159808160 388032009 /nfs/dbraw/zinc/03/20/09/388032009.db2.gz VIAGVOVUDXFAHE-INIZCTEOSA-N 1 1 245.366 2.903 20 70 BFIDMO COCCCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160395883 174192043 /nfs/dbraw/zinc/19/20/43/174192043.db2.gz OAQAYPYCGIBUEC-HNNXBMFYSA-N 1 1 248.370 2.954 20 70 BFIDMO COc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000217923636 175155005 /nfs/dbraw/zinc/15/50/05/175155005.db2.gz DCFAYOWMNNOLDU-YWPYICTPSA-N 1 1 248.370 2.836 20 70 BFIDMO C[C@H]1CCC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000159821908 177110259 /nfs/dbraw/zinc/11/02/59/177110259.db2.gz JWNYSKNZKPPLQS-VIFPVBQESA-N 1 1 209.264 2.516 20 70 BFIDMO CC(C)(C)OC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159607965 323040229 /nfs/dbraw/zinc/04/02/29/323040229.db2.gz KQIDJGIQFMYOBC-RYUDHWBXSA-N 1 1 239.359 2.593 20 70 BFIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)N(CC)CC ZINC000160587799 323073160 /nfs/dbraw/zinc/07/31/60/323073160.db2.gz SPKCTLGMMMDWHB-OLZOCXBDSA-N 1 1 242.407 2.611 20 70 BFIDMO C[C@H](CNc1nc(Cl)cs1)[N@@H+](C)C1CC1 ZINC000218687532 592173627 /nfs/dbraw/zinc/17/36/27/592173627.db2.gz IIQMAJCPCGIQES-SSDOTTSWSA-N 1 1 245.779 2.691 20 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