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(CCC(F)(F)F)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC000217165883 456031591 /nfs/dbraw/zinc/03/15/91/456031591.db2.gz WXGZOVBTDIYOLE-CVEARBPZSA-N 0 3 340.389 3.452 50 70 EGIAHN CSc1ccc(C(=O)N2CCCO[C@@H](CN3CCCCC3)C2)cc1 ZINC000217912701 241284110 /nfs/dbraw/zinc/28/41/10/241284110.db2.gz MTQGOCFHXCFSBI-KRWDZBQOSA-N 0 3 348.512 3.126 50 70 EGIAHN O=C(NC[C@H]1CCCCO1)c1cccc(CN2CCCCCC2)c1 ZINC000217093326 241235989 /nfs/dbraw/zinc/23/59/89/241235989.db2.gz OLZYMWZNVCUHLG-LJQANCHMSA-N 0 3 330.472 3.362 50 70 EGIAHN OC1(c2ccccc2)CCN(Cc2ccccc2Cn2cccn2)CC1 ZINC000218709491 241340628 /nfs/dbraw/zinc/34/06/28/241340628.db2.gz ADVCMRUESFPWKU-UHFFFAOYSA-N 0 3 347.462 3.415 50 70 EGIAHN CN(C)Cc1ccccc1CN(C)C(=O)[C@@H](O)c1cccc(Cl)c1 ZINC000218348235 536046683 /nfs/dbraw/zinc/04/66/83/536046683.db2.gz BSSSADJCVQIXJV-SFHVURJKSA-N 0 3 346.858 3.094 50 70 EGIAHN CC[C@@H](NC(=O)C1(N2CCCCC2)CCCCC1)c1ccnn1C ZINC000218405106 241320099 /nfs/dbraw/zinc/32/00/99/241320099.db2.gz HMTRNLJRHSFRAO-MRXNPFEDSA-N 0 3 332.492 3.176 50 70 EGIAHN COc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1CN1CCCC1 ZINC000218702610 286223235 /nfs/dbraw/zinc/22/32/35/286223235.db2.gz GAQFWYKENSZVTI-HNNXBMFYSA-N 0 3 336.863 3.439 50 70 EGIAHN O=C(NC[C@@H]1CCCCO1)c1cccc(CN2CCCCCC2)c1 ZINC000217093301 241237014 /nfs/dbraw/zinc/23/70/14/241237014.db2.gz OLZYMWZNVCUHLG-IBGZPJMESA-N 0 3 330.472 3.362 50 70 EGIAHN CC[C@H](NC(=O)C1(N2CCCCC2)CCCCC1)c1ccnn1C ZINC000218405192 241319489 /nfs/dbraw/zinc/31/94/89/241319489.db2.gz HMTRNLJRHSFRAO-INIZCTEOSA-N 0 3 332.492 3.176 50 70 EGIAHN O=C(CN1CC[C@H](c2ccccc2)C1)N1CCC(c2ccncc2)CC1 ZINC000218703057 241338772 /nfs/dbraw/zinc/33/87/72/241338772.db2.gz VXNOGJQCWOBZKC-NRFANRHFSA-N 0 3 349.478 3.277 50 70 EGIAHN CN(C)Cc1ccccc1CN(C)C(=O)[C@@H]1CCc2ccccc2O1 ZINC000218210174 536047707 /nfs/dbraw/zinc/04/77/07/536047707.db2.gz PFEDWZUWZDEJAS-FQEVSTJZSA-N 0 3 338.451 3.100 50 70 EGIAHN O=C(CN1CCCCCCC1)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000217155392 241239432 /nfs/dbraw/zinc/23/94/32/241239432.db2.gz GTNBCDGNVBNYES-UHFFFAOYSA-N 0 3 334.851 3.099 50 70 EGIAHN O=C(CN1CCCCCCC1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000217155392 241239439 /nfs/dbraw/zinc/23/94/39/241239439.db2.gz GTNBCDGNVBNYES-UHFFFAOYSA-N 0 3 334.851 3.099 50 70 EGIAHN COc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1CN1CCCC1 ZINC000218702535 286223210 /nfs/dbraw/zinc/22/32/10/286223210.db2.gz GAQFWYKENSZVTI-OAHLLOKOSA-N 0 3 336.863 3.439 50 70 EGIAHN O=C(c1cc2ccccc2o1)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000217596761 241262800 /nfs/dbraw/zinc/26/28/00/241262800.db2.gz PXZHOHNCRJAHSU-QGZVFWFLSA-N 0 3 342.439 3.150 50 70 EGIAHN CN1CCC(CNC(=O)c2cncc(Cl)c2)(c2ccccc2)CC1 ZINC000218611348 241335639 /nfs/dbraw/zinc/33/56/39/241335639.db2.gz HFFJAAQSXZIGGZ-UHFFFAOYSA-N 0 3 343.858 3.128 50 70 EGIAHN Cc1oc(C(C)C)cc1C(=O)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000218163281 294034132 /nfs/dbraw/zinc/03/41/32/294034132.db2.gz TUPYJVCKKFDOMA-KRWDZBQOSA-N 0 3 348.487 3.428 50 70 EGIAHN CN(C)Cc1ccccc1CN(C)C(=O)[C@H](O)c1cccc(Cl)c1 ZINC000218348313 536047417 /nfs/dbraw/zinc/04/74/17/536047417.db2.gz BSSSADJCVQIXJV-GOSISDBHSA-N 0 3 346.858 3.094 50 70 EGIAHN O=C(c1cc2ccccc2o1)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000217596668 241262954 /nfs/dbraw/zinc/26/29/54/241262954.db2.gz PXZHOHNCRJAHSU-KRWDZBQOSA-N 0 3 342.439 3.150 50 70 EGIAHN Cc1cccc(OC(C)(C)C(=O)N(C)C[C@H]2CCCCN2C)c1C ZINC000217352565 241244497 /nfs/dbraw/zinc/24/44/97/241244497.db2.gz MBCOYKGCIDNAPT-QGZVFWFLSA-N 0 3 332.488 3.404 50 70 EGIAHN Cc1oc(C(C)C)cc1C(=O)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000218163338 294034332 /nfs/dbraw/zinc/03/43/32/294034332.db2.gz TUPYJVCKKFDOMA-QGZVFWFLSA-N 0 3 348.487 3.428 50 70 EGIAHN CN(C)Cc1ccccc1CN(C)C(=O)[C@H]1CCc2ccccc2O1 ZINC000218210258 456034488 /nfs/dbraw/zinc/03/44/88/456034488.db2.gz PFEDWZUWZDEJAS-HXUWFJFHSA-N 0 3 338.451 3.100 50 70 EGIAHN c1nc(CO[C@@H]2COCC[C@H]2Nc2ccnc3ccccc32)cs1 ZINC000218448892 547240209 /nfs/dbraw/zinc/24/02/09/547240209.db2.gz IDMIWVCTDSQUND-QZTJIDSGSA-N 0 3 341.436 3.478 50 70 EGIAHN O=C(CN1CC[C@@H](c2ccccc2)C1)N1CCC(c2ccncc2)CC1 ZINC000218702973 547240081 /nfs/dbraw/zinc/24/00/81/547240081.db2.gz VXNOGJQCWOBZKC-OAQYLSRUSA-N 0 3 349.478 3.277 50 70 EGIAHN Cc1cccc(OC(C)(C)C(=O)N(C)C[C@@H]2CCCCN2C)c1C ZINC000217352493 241244935 /nfs/dbraw/zinc/24/49/35/241244935.db2.gz MBCOYKGCIDNAPT-KRWDZBQOSA-N 0 3 332.488 3.404 50 70 EGIAHN CN1CCC(C(=O)NCCCC[C@H]2CCCO2)(c2ccccc2)CC1 ZINC000218281326 241311114 /nfs/dbraw/zinc/31/11/14/241311114.db2.gz SMHCXIDJTQCZOD-IBGZPJMESA-N 0 3 344.499 3.116 50 70 EGIAHN CN1CCC(C(=O)NCCCC[C@@H]2CCCO2)(c2ccccc2)CC1 ZINC000218281272 241311161 /nfs/dbraw/zinc/31/11/61/241311161.db2.gz SMHCXIDJTQCZOD-LJQANCHMSA-N 0 3 344.499 3.116 50 70 EGIAHN COc1ccnc(C(=O)NC[C@@H](c2ccccc2)N2CCCCC2)c1 ZINC000218296350 241312816 /nfs/dbraw/zinc/31/28/16/241312816.db2.gz QGWDWGPIDMVPLY-IBGZPJMESA-N 0 3 339.439 3.047 50 70 EGIAHN COc1cc(CN2C[C@H]3CC[C@@H](C2)[C@H]3O)ccc1OCC=C(C)C ZINC000217870146 241282120 /nfs/dbraw/zinc/28/21/20/241282120.db2.gz KKUAHCYTEFHOGM-YRWFTTLQSA-N 0 3 331.456 3.243 50 70 EGIAHN CSc1ccc(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)cc1 ZINC000217912788 241283370 /nfs/dbraw/zinc/28/33/70/241283370.db2.gz MTQGOCFHXCFSBI-QGZVFWFLSA-N 0 3 348.512 3.126 50 70 EGIAHN CCN(CCN1CCCCCC1)C(=O)[C@H](O)c1ccccc1Cl ZINC000218304861 241313096 /nfs/dbraw/zinc/31/30/96/241313096.db2.gz GINVOTSZDHLQIL-QGZVFWFLSA-N 0 3 338.879 3.098 50 70 EGIAHN COc1ccnc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)c1 ZINC000218296386 274163938 /nfs/dbraw/zinc/16/39/38/274163938.db2.gz QGWDWGPIDMVPLY-LJQANCHMSA-N 0 3 339.439 3.047 50 70 EGIAHN Fc1ccccc1-n1cc(CN2CCN(CC3CCCC3)CC2)cn1 ZINC000218346981 241314730 /nfs/dbraw/zinc/31/47/30/241314730.db2.gz QIMFCMAPUARAPY-UHFFFAOYSA-N 0 3 342.462 3.319 50 70 EGIAHN C[C@@H]1CCC[C@H](C)N1CC(=O)NCCc1nc2cc(Cl)ccc2[nH]1 ZINC000217715476 241271365 /nfs/dbraw/zinc/27/13/65/241271365.db2.gz IGGKTAYHBLQBFX-BETUJISGSA-N 0 3 348.878 3.138 50 70 EGIAHN CCN(CCN1CCCCCC1)C(=O)[C@@H](O)c1ccccc1Cl ZINC000218304787 241313441 /nfs/dbraw/zinc/31/34/41/241313441.db2.gz GINVOTSZDHLQIL-KRWDZBQOSA-N 0 3 338.879 3.098 50 70 EGIAHN