smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC[N@H+](C)Cc1cccnc1)Cc1ccc(F)cc1 ZINC000161020842 522810308 /nfs/dbraw/zinc/81/03/08/522810308.db2.gz ICKVUKYZJSXGAB-UHFFFAOYSA-N 1 2 287.382 2.785 10 70 CFIELO CN(CC[N@@H+](C)Cc1cccnc1)Cc1ccc(F)cc1 ZINC000161020842 522810318 /nfs/dbraw/zinc/81/03/18/522810318.db2.gz ICKVUKYZJSXGAB-UHFFFAOYSA-N 1 2 287.382 2.785 10 70 CFIELO CCn1cc[nH+]c1C[S@](=O)c1ncc(C(C)(C)C)s1 ZINC000160548138 322339377 /nfs/dbraw/zinc/33/93/77/322339377.db2.gz LECUKYOARHNRRS-LJQANCHMSA-N 1 2 297.449 2.965 10 70 CFIELO c1cncc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160609442 378786249 /nfs/dbraw/zinc/78/62/49/378786249.db2.gz IVVKXSVYYHZEFH-OAHLLOKOSA-N 1 2 297.406 2.737 10 70 CFIELO c1cncc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160609442 378786254 /nfs/dbraw/zinc/78/62/54/378786254.db2.gz IVVKXSVYYHZEFH-OAHLLOKOSA-N 1 2 297.406 2.737 10 70 CFIELO CCCC[C@@H](CC)C[N@@H+]1CCOC[C@@H]1c1nc(C)no1 ZINC000161024487 521026967 /nfs/dbraw/zinc/02/69/67/521026967.db2.gz YAUBRMXFOZYVQK-ZIAGYGMSSA-N 1 2 281.400 2.968 10 70 CFIELO CCCC[C@@H](CC)C[N@H+]1CCOC[C@@H]1c1nc(C)no1 ZINC000161024487 521026972 /nfs/dbraw/zinc/02/69/72/521026972.db2.gz YAUBRMXFOZYVQK-ZIAGYGMSSA-N 1 2 281.400 2.968 10 70 CFIELO COc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000161441361 524035569 /nfs/dbraw/zinc/03/55/69/524035569.db2.gz ORGLZAODMGLWGS-AWEZNQCLSA-N 1 2 290.388 2.725 10 70 CFIELO COc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000161441361 524035571 /nfs/dbraw/zinc/03/55/71/524035571.db2.gz ORGLZAODMGLWGS-AWEZNQCLSA-N 1 2 290.388 2.725 10 70 CFIELO Cc1cc(C(N)=S)cc(NCc2ccccc2)[nH+]1 ZINC000161189581 348023600 /nfs/dbraw/zinc/02/36/00/348023600.db2.gz DYWFPZDHYLASJN-UHFFFAOYSA-N 1 2 257.362 2.636 10 70 CFIELO Cc1noc([C@@H]2COCC[N@@H+]2CC2CCC(C)(C)CC2)n1 ZINC000161127353 378824786 /nfs/dbraw/zinc/82/47/86/378824786.db2.gz QOHZIFVAMBMXMH-AWEZNQCLSA-N 1 2 293.411 2.968 10 70 CFIELO Cc1noc([C@@H]2COCC[N@H+]2CC2CCC(C)(C)CC2)n1 ZINC000161127353 378824793 /nfs/dbraw/zinc/82/47/93/378824793.db2.gz QOHZIFVAMBMXMH-AWEZNQCLSA-N 1 2 293.411 2.968 10 70 CFIELO Cc1noc([C@H]2COCC[N@H+]2C[C@@H](C)c2ccccc2)n1 ZINC000161104311 394367136 /nfs/dbraw/zinc/36/71/36/394367136.db2.gz SUIUUEJSNVTSIA-IUODEOHRSA-N 1 2 287.363 2.555 10 70 CFIELO Cc1noc([C@H]2COCC[N@@H+]2C[C@@H](C)c2ccccc2)n1 ZINC000161104311 394367137 /nfs/dbraw/zinc/36/71/37/394367137.db2.gz SUIUUEJSNVTSIA-IUODEOHRSA-N 1 2 287.363 2.555 10 70 CFIELO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000159998338 520215947 /nfs/dbraw/zinc/21/59/47/520215947.db2.gz IDJOQDKFZJTWQK-OLZOCXBDSA-N 1 2 296.436 2.973 10 70 CFIELO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000159998338 520215950 /nfs/dbraw/zinc/21/59/50/520215950.db2.gz IDJOQDKFZJTWQK-OLZOCXBDSA-N 1 2 296.436 2.973 10 70 CFIELO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000159998470 520219737 /nfs/dbraw/zinc/21/97/37/520219737.db2.gz IDJOQDKFZJTWQK-STQMWFEESA-N 1 2 296.436 2.973 10 70 CFIELO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000159998470 520219749 /nfs/dbraw/zinc/21/97/49/520219749.db2.gz IDJOQDKFZJTWQK-STQMWFEESA-N 1 2 296.436 2.973 10 70 CFIELO CCCCc1nc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)no1 ZINC000161106303 521300516 /nfs/dbraw/zinc/30/05/16/521300516.db2.gz IHQFCIXEFFJJRQ-CZUORRHYSA-N 1 2 293.411 2.539 10 70 CFIELO CCCCc1nc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)no1 ZINC000161106303 521300521 /nfs/dbraw/zinc/30/05/21/521300521.db2.gz IHQFCIXEFFJJRQ-CZUORRHYSA-N 1 2 293.411 2.539 10 70 CFIELO Cn1c2ccccc2[nH+]c1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160689801 378790844 /nfs/dbraw/zinc/79/08/44/378790844.db2.gz WOKQWHAQYRMLLO-DYVFJYSZSA-N 1 2 285.391 2.705 10 70 CFIELO CCC1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000159406355 519856151 /nfs/dbraw/zinc/85/61/51/519856151.db2.gz NJRDYAXZXGWGOL-MOKVOYLWSA-N 1 2 275.396 2.531 10 70 CFIELO Fc1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000161433969 526334818 /nfs/dbraw/zinc/33/48/18/526334818.db2.gz TYLITGMSVILYAF-CYBMUJFWSA-N 1 2 278.352 2.856 10 70 CFIELO Fc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000161433969 526334824 /nfs/dbraw/zinc/33/48/24/526334824.db2.gz TYLITGMSVILYAF-CYBMUJFWSA-N 1 2 278.352 2.856 10 70 CFIELO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccnc(Cl)c2)cn1 ZINC000216814391 382784834 /nfs/dbraw/zinc/78/48/34/382784834.db2.gz JUKMXZIEZBPJKW-CYBMUJFWSA-N 1 2 276.771 2.806 10 70 CFIELO Cn1cc([C@H]2CCC[N@H+]2Cc2ccnc(Cl)c2)cn1 ZINC000216814391 382784835 /nfs/dbraw/zinc/78/48/35/382784835.db2.gz JUKMXZIEZBPJKW-CYBMUJFWSA-N 1 2 276.771 2.806 10 70 CFIELO CCC1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000159406222 519856075 /nfs/dbraw/zinc/85/60/75/519856075.db2.gz NJRDYAXZXGWGOL-ROKHWSDSSA-N 1 2 275.396 2.531 10 70 CFIELO COc1c(C[N@H+](C)Cc2cccc(F)c2)c(C)nn1C ZINC000160465344 378774751 /nfs/dbraw/zinc/77/47/51/378774751.db2.gz QSNCSBDJEHPSDP-UHFFFAOYSA-N 1 2 277.343 2.508 10 70 CFIELO COc1c(C[N@@H+](C)Cc2cccc(F)c2)c(C)nn1C ZINC000160465344 378774758 /nfs/dbraw/zinc/77/47/58/378774758.db2.gz QSNCSBDJEHPSDP-UHFFFAOYSA-N 1 2 277.343 2.508 10 70 CFIELO CCn1cc[nH+]c1C[S@@](=O)c1ncc(C(C)(C)C)s1 ZINC000160548019 322339605 /nfs/dbraw/zinc/33/96/05/322339605.db2.gz LECUKYOARHNRRS-IBGZPJMESA-N 1 2 297.449 2.965 10 70 CFIELO Cc1ccc(S(=O)(=O)Cc2[nH+]ccn2C(C)C)cc1 ZINC000160956361 525493175 /nfs/dbraw/zinc/49/31/75/525493175.db2.gz KWSLNIRWOOUKCZ-UHFFFAOYSA-N 1 2 278.377 2.746 10 70 CFIELO Cc1cccc(CS(=O)(=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000161211971 524450380 /nfs/dbraw/zinc/45/03/80/524450380.db2.gz HIHZMPWIPSBRHZ-UHFFFAOYSA-N 1 2 292.404 2.887 10 70 CFIELO c1cncc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160609572 526546116 /nfs/dbraw/zinc/54/61/16/526546116.db2.gz IVVKXSVYYHZEFH-HNNXBMFYSA-N 1 2 297.406 2.737 10 70 CFIELO c1cncc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160609572 526546122 /nfs/dbraw/zinc/54/61/22/526546122.db2.gz IVVKXSVYYHZEFH-HNNXBMFYSA-N 1 2 297.406 2.737 10 70 CFIELO Cn1c(C[NH+]2CCC(c3ccn[nH]3)CC2)nc2ccccc21 ZINC000160545717 527051844 /nfs/dbraw/zinc/05/18/44/527051844.db2.gz MQIIPQVUCXZNIY-UHFFFAOYSA-N 1 2 295.390 2.676 10 70 CFIELO CCSCC[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000160039216 378745758 /nfs/dbraw/zinc/74/57/58/378745758.db2.gz VFFWHYGNFACNLM-LLVKDONJSA-N 1 2 272.439 2.578 10 70 CFIELO CCSCC[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000160039216 378745763 /nfs/dbraw/zinc/74/57/63/378745763.db2.gz VFFWHYGNFACNLM-LLVKDONJSA-N 1 2 272.439 2.578 10 70 CFIELO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000160910021 378809473 /nfs/dbraw/zinc/80/94/73/378809473.db2.gz FBINYQRFQVBVJM-LSDHHAIUSA-N 1 2 283.799 2.874 10 70 CFIELO CC[C@@](C)(O)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000160910021 378809479 /nfs/dbraw/zinc/80/94/79/378809479.db2.gz FBINYQRFQVBVJM-LSDHHAIUSA-N 1 2 283.799 2.874 10 70 CFIELO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)[nH]1 ZINC000160492538 522342579 /nfs/dbraw/zinc/34/25/79/522342579.db2.gz CPFZIUHQUIYKKU-JTQLQIEISA-N 1 2 262.332 2.665 10 70 CFIELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1cccc(F)c1 ZINC000161211311 520035499 /nfs/dbraw/zinc/03/54/99/520035499.db2.gz AVSPARAAVSCQMX-UHFFFAOYSA-N 1 2 296.367 2.718 10 70 CFIELO CC(C)n1cc[nH+]c1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000160849381 394366890 /nfs/dbraw/zinc/36/68/90/394366890.db2.gz QUZDRHCOZPRUBA-UONOGXRCSA-N 1 2 263.385 2.607 10 70 CFIELO CC(C)n1ccnc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000160849381 394366892 /nfs/dbraw/zinc/36/68/92/394366892.db2.gz QUZDRHCOZPRUBA-UONOGXRCSA-N 1 2 263.385 2.607 10 70 CFIELO CC(C)n1ccnc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000160849381 394366893 /nfs/dbraw/zinc/36/68/93/394366893.db2.gz QUZDRHCOZPRUBA-UONOGXRCSA-N 1 2 263.385 2.607 10 70 CFIELO COc1c(C[N@H+](C)Cc2ccc(F)cc2)c(C)nn1C ZINC000161147540 322348170 /nfs/dbraw/zinc/34/81/70/322348170.db2.gz QMIYZWACUIKSLK-UHFFFAOYSA-N 1 2 277.343 2.508 10 70 CFIELO COc1c(C[N@@H+](C)Cc2ccc(F)cc2)c(C)nn1C ZINC000161147540 322348172 /nfs/dbraw/zinc/34/81/72/322348172.db2.gz QMIYZWACUIKSLK-UHFFFAOYSA-N 1 2 277.343 2.508 10 70 CFIELO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159933424 523150250 /nfs/dbraw/zinc/15/02/50/523150250.db2.gz IQMXUSJVSQBZSP-OAHLLOKOSA-N 1 2 285.395 2.647 10 70 CFIELO CCn1c(C)nnc1C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159933424 523150256 /nfs/dbraw/zinc/15/02/56/523150256.db2.gz IQMXUSJVSQBZSP-OAHLLOKOSA-N 1 2 285.395 2.647 10 70 CFIELO CC[C@](C)(O)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000160909901 378809764 /nfs/dbraw/zinc/80/97/64/378809764.db2.gz FBINYQRFQVBVJM-GJZGRUSLSA-N 1 2 283.799 2.874 10 70 CFIELO CC[C@](C)(O)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000160909901 378809769 /nfs/dbraw/zinc/80/97/69/378809769.db2.gz FBINYQRFQVBVJM-GJZGRUSLSA-N 1 2 283.799 2.874 10 70 CFIELO Cc1noc([C@H]2COCC[N@@H+]2CC2CCC(C)(C)CC2)n1 ZINC000161127471 378824631 /nfs/dbraw/zinc/82/46/31/378824631.db2.gz QOHZIFVAMBMXMH-CQSZACIVSA-N 1 2 293.411 2.968 10 70 CFIELO Cc1noc([C@H]2COCC[N@H+]2CC2CCC(C)(C)CC2)n1 ZINC000161127471 378824634 /nfs/dbraw/zinc/82/46/34/378824634.db2.gz QOHZIFVAMBMXMH-CQSZACIVSA-N 1 2 293.411 2.968 10 70 CFIELO Cc1ccc(CS(=O)(=O)Cc2[nH+]ccn2C(C)C)cc1 ZINC000161214874 524633010 /nfs/dbraw/zinc/63/30/10/524633010.db2.gz ACBPOHLXGOEPPX-UHFFFAOYSA-N 1 2 292.404 2.887 10 70 CFIELO CCCC[C@H](CC)C[N@@H+]1CCOC[C@@H]1c1nc(C)no1 ZINC000161024609 521169732 /nfs/dbraw/zinc/16/97/32/521169732.db2.gz YAUBRMXFOZYVQK-UONOGXRCSA-N 1 2 281.400 2.968 10 70 CFIELO CCCC[C@H](CC)C[N@H+]1CCOC[C@@H]1c1nc(C)no1 ZINC000161024609 521169736 /nfs/dbraw/zinc/16/97/36/521169736.db2.gz YAUBRMXFOZYVQK-UONOGXRCSA-N 1 2 281.400 2.968 10 70 CFIELO COc1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000161441497 524035383 /nfs/dbraw/zinc/03/53/83/524035383.db2.gz ORGLZAODMGLWGS-CQSZACIVSA-N 1 2 290.388 2.725 10 70 CFIELO COc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000161441497 524035385 /nfs/dbraw/zinc/03/53/85/524035385.db2.gz ORGLZAODMGLWGS-CQSZACIVSA-N 1 2 290.388 2.725 10 70 CFIELO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1F ZINC000160536536 378778500 /nfs/dbraw/zinc/77/85/00/378778500.db2.gz IBGZMIRVBUKXIT-CXAGYDPISA-N 1 2 291.366 2.635 10 70 CFIELO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1F ZINC000160536536 378778504 /nfs/dbraw/zinc/77/85/04/378778504.db2.gz IBGZMIRVBUKXIT-CXAGYDPISA-N 1 2 291.366 2.635 10 70 CFIELO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1F ZINC000160536671 378779442 /nfs/dbraw/zinc/77/94/42/378779442.db2.gz IBGZMIRVBUKXIT-DYVFJYSZSA-N 1 2 291.366 2.635 10 70 CFIELO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1F ZINC000160536671 378779448 /nfs/dbraw/zinc/77/94/48/378779448.db2.gz IBGZMIRVBUKXIT-DYVFJYSZSA-N 1 2 291.366 2.635 10 70 CFIELO Fc1cccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000161439299 526386298 /nfs/dbraw/zinc/38/62/98/526386298.db2.gz NBSXXGZYSBMQMA-ZDUSSCGKSA-N 1 2 278.352 2.856 10 70 CFIELO Fc1cccc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000161439299 526386304 /nfs/dbraw/zinc/38/63/04/526386304.db2.gz NBSXXGZYSBMQMA-ZDUSSCGKSA-N 1 2 278.352 2.856 10 70 CFIELO CCNc1cc[nH+]c(CC[C@H]2COc3ccccc3O2)n1 ZINC000218268641 348166439 /nfs/dbraw/zinc/16/64/39/348166439.db2.gz QJBCZQOCGQVVFK-LBPRGKRZSA-N 1 2 285.347 2.681 10 70 CFIELO CCCCc1nc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)no1 ZINC000161106429 521298802 /nfs/dbraw/zinc/29/88/02/521298802.db2.gz IHQFCIXEFFJJRQ-CJNGLKHVSA-N 1 2 293.411 2.539 10 70 CFIELO CCCCc1nc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)no1 ZINC000161106429 521298812 /nfs/dbraw/zinc/29/88/12/521298812.db2.gz IHQFCIXEFFJJRQ-CJNGLKHVSA-N 1 2 293.411 2.539 10 70 CFIELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)Cc1cccnc1 ZINC000159459265 378710225 /nfs/dbraw/zinc/71/02/25/378710225.db2.gz DXSSJBINSCYYAJ-LSDHHAIUSA-N 1 2 297.402 2.779 10 70 CFIELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)Cc1cccnc1 ZINC000159459265 378710229 /nfs/dbraw/zinc/71/02/29/378710229.db2.gz DXSSJBINSCYYAJ-LSDHHAIUSA-N 1 2 297.402 2.779 10 70 CFIELO CCNc1cc[nH+]c(CC[C@@H]2COc3ccccc3O2)n1 ZINC000218268592 348166511 /nfs/dbraw/zinc/16/65/11/348166511.db2.gz QJBCZQOCGQVVFK-GFCCVEGCSA-N 1 2 285.347 2.681 10 70 CFIELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1ccccc1F ZINC000161209197 520034749 /nfs/dbraw/zinc/03/47/49/520034749.db2.gz ZYEJEXULYAJGAU-UHFFFAOYSA-N 1 2 296.367 2.718 10 70 CFIELO CCc1nc(C[NH+]2CCC(c3ccn[nH]3)CC2)cs1 ZINC000160552652 522302880 /nfs/dbraw/zinc/30/28/80/522302880.db2.gz PGVKGOSZXAYIJO-UHFFFAOYSA-N 1 2 276.409 2.808 10 70 CFIELO Fc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000161433811 526336162 /nfs/dbraw/zinc/33/61/62/526336162.db2.gz TYLITGMSVILYAF-ZDUSSCGKSA-N 1 2 278.352 2.856 10 70 CFIELO Fc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000161433811 526336168 /nfs/dbraw/zinc/33/61/68/526336168.db2.gz TYLITGMSVILYAF-ZDUSSCGKSA-N 1 2 278.352 2.856 10 70 CFIELO Cc1noc([C@H]2COCC[N@@H+]2CC2CCCCCC2)n1 ZINC000160827178 378802071 /nfs/dbraw/zinc/80/20/71/378802071.db2.gz RHFQJBOPEVHTQX-CQSZACIVSA-N 1 2 279.384 2.722 10 70 CFIELO Cc1noc([C@H]2COCC[N@H+]2CC2CCCCCC2)n1 ZINC000160827178 378802078 /nfs/dbraw/zinc/80/20/78/378802078.db2.gz RHFQJBOPEVHTQX-CQSZACIVSA-N 1 2 279.384 2.722 10 70 CFIELO c1csc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000161435402 526589593 /nfs/dbraw/zinc/58/95/93/526589593.db2.gz LILYKYMMJXOKHU-CYBMUJFWSA-N 1 2 260.362 2.717 10 70 CFIELO c1csc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000161435402 526589595 /nfs/dbraw/zinc/58/95/95/526589595.db2.gz LILYKYMMJXOKHU-CYBMUJFWSA-N 1 2 260.362 2.717 10 70 CFIELO CCn1c(C)nnc1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159933566 523152861 /nfs/dbraw/zinc/15/28/61/523152861.db2.gz IQMXUSJVSQBZSP-HNNXBMFYSA-N 1 2 285.395 2.647 10 70 CFIELO CCn1c(C)nnc1C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159933566 523152872 /nfs/dbraw/zinc/15/28/72/523152872.db2.gz IQMXUSJVSQBZSP-HNNXBMFYSA-N 1 2 285.395 2.647 10 70 CFIELO Cc1noc([C@@H]2COCC[N@@H+]2CC2CCCCCC2)n1 ZINC000160827063 378801917 /nfs/dbraw/zinc/80/19/17/378801917.db2.gz RHFQJBOPEVHTQX-AWEZNQCLSA-N 1 2 279.384 2.722 10 70 CFIELO Cc1noc([C@@H]2COCC[N@H+]2CC2CCCCCC2)n1 ZINC000160827063 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CC(C)n1cc[nH+]c1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000160849264 276085943 /nfs/dbraw/zinc/08/59/43/276085943.db2.gz QUZDRHCOZPRUBA-KBPBESRZSA-N 1 2 263.385 2.607 10 70 CFIELO CC(C)n1ccnc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000160849264 276085944 /nfs/dbraw/zinc/08/59/44/276085944.db2.gz QUZDRHCOZPRUBA-KBPBESRZSA-N 1 2 263.385 2.607 10 70 CFIELO CC(C)n1ccnc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000160849264 276085945 /nfs/dbraw/zinc/08/59/45/276085945.db2.gz QUZDRHCOZPRUBA-KBPBESRZSA-N 1 2 263.385 2.607 10 70 CFIELO Cc1noc([C@@H]2COCC[N@H+]2C[C@@H]2CCC[C@H](C)C2)n1 ZINC000160975343 378812802 /nfs/dbraw/zinc/81/28/02/378812802.db2.gz CYEFAYHQBIEYPD-YUTCNCBUSA-N 1 2 279.384 2.578 10 70 CFIELO Cc1noc([C@@H]2COCC[N@@H+]2C[C@@H]2CCC[C@H](C)C2)n1 ZINC000160975343 378812807 /nfs/dbraw/zinc/81/28/07/378812807.db2.gz CYEFAYHQBIEYPD-YUTCNCBUSA-N 1 2 279.384 2.578 10 70 CFIELO CC(C)n1cc[nH+]c1CS(=O)(=O)CCc1ccccc1 ZINC000161220989 520032911 /nfs/dbraw/zinc/03/29/11/520032911.db2.gz UGUXDECPFWIFIR-UHFFFAOYSA-N 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