smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1CCCN(C)C1)CC2 ZINC000159453039 441814855 /nfs/dbraw/zinc/81/48/55/441814855.db2.gz GFUGNYOKNUZBJT-KGLIPLIRSA-N 0 3 334.468 1.357 10 70 EDIEHN CCC[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)nc1)N(C)C ZINC000159511697 206249433 /nfs/dbraw/zinc/24/94/33/206249433.db2.gz MJRPYRXYAMTCAG-MRXNPFEDSA-N 0 3 333.480 1.180 10 70 EDIEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](N3CCCC3)C1)CC2 ZINC000161471833 278077815 /nfs/dbraw/zinc/07/78/15/278077815.db2.gz IFKPRROINCKROO-HUUCEWRRSA-N 0 3 346.479 1.596 10 70 EDIEHN COC(=O)Cn1cc(CCN2CCC[C@@H]2c2c(C)nn(C)c2C)nn1 ZINC000159999592 441853132 /nfs/dbraw/zinc/85/31/32/441853132.db2.gz OQFOLTDGLVGZDA-OAHLLOKOSA-N 0 3 346.435 1.181 10 70 EDIEHN CC(C)N1C[C@H](NC(=O)c2ccc3c(c2)NC(=O)CCN3C)[C@@H](C)C1 ZINC000161296812 441981540 /nfs/dbraw/zinc/98/15/40/441981540.db2.gz UHOZVKAOFLSBEC-BBRMVZONSA-N 0 3 344.459 1.924 10 70 EDIEHN CC(C)CN1CCC[C@@H]1CNC(=O)N[C@H](C)CCS(C)(=O)=O ZINC000160505712 441889408 /nfs/dbraw/zinc/88/94/08/441889408.db2.gz FIGWTIMVKHHTDS-ZIAGYGMSSA-N 0 3 333.498 1.229 10 70 EDIEHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(c2ccn[nH]2)CC1 ZINC000160552784 491019317 /nfs/dbraw/zinc/01/93/17/491019317.db2.gz JJKYIRRQXBCHDX-VIFPVBQESA-N 0 3 347.341 1.366 10 70 EDIEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCCN(CC(F)F)CC1 ZINC000160472676 441886674 /nfs/dbraw/zinc/88/66/74/441886674.db2.gz PLVIFZJTHBHHBL-CQSZACIVSA-N 0 3 334.455 1.945 10 70 EDIEHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1nccn1C ZINC000161193158 441969833 /nfs/dbraw/zinc/96/98/33/441969833.db2.gz FBEXGABKQISTCS-QWHCGFSZSA-N 0 3 335.429 1.601 10 70 EDIEHN Cc1ccc(-c2cc(C(=O)NC[C@H](O)CN3CCCCC3)[nH]n2)cc1 ZINC000159949673 441849097 /nfs/dbraw/zinc/84/90/97/441849097.db2.gz GJFRORZTEQFJBT-INIZCTEOSA-N 0 3 342.443 1.962 10 70 EDIEHN CN[C@@H]1COC[C@@H]1C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000160062746 532973911 /nfs/dbraw/zinc/97/39/11/532973911.db2.gz VCINCGBPMOHYLH-JIMOISOXSA-N 0 3 327.222 1.861 10 70 EDIEHN CO[C@@]1(CNCC(=O)Nc2ccccc2Br)CCOC1 ZINC000160300303 533035634 /nfs/dbraw/zinc/03/56/34/533035634.db2.gz JPPDNOGAOAYSGP-CQSZACIVSA-N 0 3 343.221 1.783 10 70 EDIEHN CCC[C@@H](C(=O)NC[C@H](c1cccs1)N1CCOCC1)N(C)C ZINC000161095524 441956739 /nfs/dbraw/zinc/95/67/39/441956739.db2.gz QCJMDUFCKSROOR-LSDHHAIUSA-N 0 3 339.505 1.968 10 70 EDIEHN CN(C)C(=O)[C@@H]1CNCCN1c1ncc(Cl)cc1Br ZINC000159671578 225258732 /nfs/dbraw/zinc/25/87/32/225258732.db2.gz RFNPAMJJXJOIJP-JTQLQIEISA-N 0 3 347.644 1.364 10 70 EDIEHN CC(C)CC(=O)N[C@H](C(=O)NC[C@H](O)CN1CCCCC1)C(C)C ZINC000159921178 441847398 /nfs/dbraw/zinc/84/73/98/441847398.db2.gz KFNHIUUIFAMJOS-RDJZCZTQSA-N 0 3 341.496 1.136 10 70 EDIEHN C[C@@H]1CN(CCN(C)Cc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000160077942 441857196 /nfs/dbraw/zinc/85/71/96/441857196.db2.gz IOICRLRHCSIDOU-APWZRJJASA-N 0 3 335.467 1.910 10 70 EDIEHN CN(C)C[C@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CCO1 ZINC000160446886 441883242 /nfs/dbraw/zinc/88/32/42/441883242.db2.gz UKPRTHWIEUQVGB-JTQLQIEISA-N 0 3 332.231 1.978 10 70 EDIEHN C[C@H](NC(=O)NCC1CCN(CCO)CC1)[C@H]1COc2ccccc21 ZINC000161104320 441957773 /nfs/dbraw/zinc/95/77/73/441957773.db2.gz CFCPCUKQCSETKE-WMLDXEAASA-N 0 3 347.459 1.555 10 70 EDIEHN C[C@@H](NC(=O)NCC1CCN(CCO)CC1)[C@@H]1COc2ccccc21 ZINC000161104203 441958264 /nfs/dbraw/zinc/95/82/64/441958264.db2.gz CFCPCUKQCSETKE-PBHICJAKSA-N 0 3 347.459 1.555 10 70 EDIEHN CC(C)N1C[C@H](NC(=O)c2ccc(-n3cnnn3)cc2Cl)[C@@H](C)C1 ZINC000161337126 441987518 /nfs/dbraw/zinc/98/75/18/441987518.db2.gz NFIGWVNDXPALTP-NHYWBVRUSA-N 0 3 348.838 1.774 10 70 EDIEHN O=C1NC2(CCCC2)C(=O)N1CCN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160909353 441934719 /nfs/dbraw/zinc/93/47/19/441934719.db2.gz WSFGOJHSCSIMMO-KSSFIOAISA-N 0 3 335.448 1.478 10 70 EDIEHN CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CCO1 ZINC000160673107 441908367 /nfs/dbraw/zinc/90/83/67/441908367.db2.gz HZKMWBWSWXONEP-KSZLIROESA-N 0 3 347.459 1.879 10 70 EDIEHN Cc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c2c(=O)[nH]n(C)c2n1 ZINC000161241787 441975674 /nfs/dbraw/zinc/97/56/74/441975674.db2.gz WZPXPOXKUONPTI-GXFFZTMASA-N 0 3 331.420 1.029 10 70 EDIEHN CC(C)NC(=O)[C@@H]1COCCN1[C@@H](CN)c1ccc(Cl)s1 ZINC000159421649 529146803 /nfs/dbraw/zinc/14/68/03/529146803.db2.gz IXCVEVDTONIJIX-QWRGUYRKSA-N 0 3 331.869 1.627 10 70 EDIEHN COCCN1CCC[C@H]1CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159556355 441821388 /nfs/dbraw/zinc/82/13/88/441821388.db2.gz ROURXGSILCTJTR-HNNXBMFYSA-N 0 3 335.452 1.410 10 70 EDIEHN Cc1c2ccccc2[nH]c(=O)c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160630532 441903408 /nfs/dbraw/zinc/90/34/08/441903408.db2.gz TWFJUBFSMAHWFK-CQSZACIVSA-N 0 3 343.427 1.825 10 70 EDIEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)NC[C@H]1CCCO1 ZINC000161219429 441973855 /nfs/dbraw/zinc/97/38/55/441973855.db2.gz GKBXYOCUABPXPX-CHWSQXEVSA-N 0 3 343.449 1.063 10 70 EDIEHN COCCN1CCC[C@@H]1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159557230 441821470 /nfs/dbraw/zinc/82/14/70/441821470.db2.gz XCTNKHRVOYNBJH-MRXNPFEDSA-N 0 3 349.479 1.420 10 70 EDIEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccn(CC(F)(F)F)n1 ZINC000160576722 441897132 /nfs/dbraw/zinc/89/71/32/441897132.db2.gz ATUJIDDOCPNEIZ-LLVKDONJSA-N 0 3 349.357 1.414 10 70 EDIEHN CCCN(CCNC(=O)N1CC[C@@H](N(C)C)C1)C(=O)OC(C)(C)C ZINC000160891868 441932095 /nfs/dbraw/zinc/93/20/95/441932095.db2.gz HRWSHQCXAKSKPP-CQSZACIVSA-N 0 3 342.484 1.979 10 70 EDIEHN CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161049022 441949944 /nfs/dbraw/zinc/94/99/44/441949944.db2.gz QHMXFSXIXAHMIL-MRXNPFEDSA-N 0 3 342.447 1.366 10 70 EDIEHN CCC[C@H](C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1)N(C)C ZINC000161343079 441988504 /nfs/dbraw/zinc/98/85/04/441988504.db2.gz ZTWKTFCLPJZDMY-CVEARBPZSA-N 0 3 337.464 1.808 10 70 EDIEHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CCc3ncnn3C2)o1 ZINC000160923118 441936361 /nfs/dbraw/zinc/93/63/61/441936361.db2.gz RQXAYQYVUNKQPG-AWEZNQCLSA-N 0 3 346.435 1.268 10 70 EDIEHN O=C(NC[C@H](O)CN1CCCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161127209 441961018 /nfs/dbraw/zinc/96/10/18/441961018.db2.gz VNGOSJRLYVKEQH-JONQDZQNSA-N 0 3 337.464 1.090 10 70 EDIEHN CCC[C@H](C(=O)N1CCCN(CC(=O)N(CC)CC)CC1)N(C)C ZINC000159750045 527971155 /nfs/dbraw/zinc/97/11/55/527971155.db2.gz QKVLXEXIGRANNU-MRXNPFEDSA-N 0 3 340.512 1.119 10 70 EDIEHN CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H]1CCCN1CC(C)C ZINC000159899817 225298236 /nfs/dbraw/zinc/29/82/36/225298236.db2.gz WLUQOJULPAVFFH-ZIAGYGMSSA-N 0 3 333.498 1.229 10 70 EDIEHN CCC[C@H](C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1)N(C)C ZINC000161455463 442002220 /nfs/dbraw/zinc/00/22/20/442002220.db2.gz IXHOUNRSSCLGGZ-QGZVFWFLSA-N 0 3 347.459 1.710 10 70 EDIEHN CC(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)Sc1nncn1C ZINC000160380439 441875596 /nfs/dbraw/zinc/87/55/96/441875596.db2.gz CHXRVTKFCOJNHW-CHWSQXEVSA-N 0 3 325.482 1.532 10 70 EDIEHN C[C@@H](NC(=O)NCC1CCN(CCO)CC1)[C@H]1COc2ccccc21 ZINC000161104437 441957727 /nfs/dbraw/zinc/95/77/27/441957727.db2.gz CFCPCUKQCSETKE-RHSMWYFYSA-N 0 3 347.459 1.555 10 70 EDIEHN CC(C)CCn1ccc(NC(=O)NC[C@H](O)CN2CCCCC2)n1 ZINC000159639686 527884823 /nfs/dbraw/zinc/88/48/23/527884823.db2.gz PVWIJBXIUVQCCS-HNNXBMFYSA-N 0 3 337.468 1.898 10 70 EDIEHN CC[C@H](N)[C@@H](c1ccc(Cl)s1)N1CCOC[C@@H]1C(=O)NC ZINC000159373519 529454064 /nfs/dbraw/zinc/45/40/64/529454064.db2.gz OVIGUPNRHWGKQS-CWSCBRNRSA-N 0 3 331.869 1.627 10 70 EDIEHN CCNS(=O)(=O)[C@H]1CCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000161382212 441992300 /nfs/dbraw/zinc/99/23/00/441992300.db2.gz VCOKTMJUMCEZAI-INIZCTEOSA-N 0 3 343.468 1.271 10 70 EDIEHN COCCc1noc(CN(C)CCN(C)Cc2ccc(F)cc2)n1 ZINC000160161812 441862811 /nfs/dbraw/zinc/86/28/11/441862811.db2.gz ZWSNWJWPKNFAFA-UHFFFAOYSA-N 0 3 336.411 1.961 10 70 EDIEHN CCc1nccn1[C@H]1CCCN(CCc2cn(CC(=O)OC)nn2)C1 ZINC000160003650 441854096 /nfs/dbraw/zinc/85/40/96/441854096.db2.gz UVCINRHUMMBHLP-HNNXBMFYSA-N 0 3 346.435 1.090 10 70 EDIEHN COCCN1CCC[C@H]1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159557117 441821412 /nfs/dbraw/zinc/82/14/12/441821412.db2.gz XCTNKHRVOYNBJH-INIZCTEOSA-N 0 3 349.479 1.420 10 70 EDIEHN CC(C)CN1CCC[C@@H]1CNC(=O)CC1(CS(C)(=O)=O)CC1 ZINC000160575581 441897152 /nfs/dbraw/zinc/89/71/52/441897152.db2.gz DMZDXHFOADLHEM-CQSZACIVSA-N 0 3 330.494 1.438 10 70 EDIEHN CC1CCC(N2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)CC1 ZINC000161353371 441989999 /nfs/dbraw/zinc/98/99/99/441989999.db2.gz HLIYKGQIDZTBOB-PCKAHOCUSA-N 0 3 346.479 1.499 10 70 EDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000160697595 441910358 /nfs/dbraw/zinc/91/03/58/441910358.db2.gz WCVXFYLLQLJTJI-AEFFLSMTSA-N 0 3 345.491 1.638 10 70 EDIEHN CC(C)CCn1ccc(NC(=O)NC[C@@H](O)CN2CCCCC2)n1 ZINC000159639823 527884999 /nfs/dbraw/zinc/88/49/99/527884999.db2.gz PVWIJBXIUVQCCS-OAHLLOKOSA-N 0 3 337.468 1.898 10 70 EDIEHN CN(C)c1ccc(Br)cc1NC(=O)COC1(C)CNC1 ZINC000161111083 205225715 /nfs/dbraw/zinc/22/57/15/205225715.db2.gz LMHLMBZGWSNGOO-UHFFFAOYSA-N 0 3 342.237 1.832 10 70 EDIEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](N3CCCC3)C1)CC2 ZINC000161471619 276066813 /nfs/dbraw/zinc/06/68/13/276066813.db2.gz IFKPRROINCKROO-CABCVRRESA-N 0 3 346.479 1.596 10 70 EDIEHN O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(CC2CCCCC2)CC1 ZINC000161077884 441953459 /nfs/dbraw/zinc/95/34/59/441953459.db2.gz DGVONSZHIJPOKO-MRXNPFEDSA-N 0 3 346.479 1.500 10 70 EDIEHN CC1(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CNC1 ZINC000161103259 205223423 /nfs/dbraw/zinc/22/34/23/205223423.db2.gz AICTUVCIIYFFIJ-UHFFFAOYSA-N 0 3 332.809 1.061 10 70 EDIEHN CCC[C@@H](C(=O)NCc1ccc(S(=O)(=O)NC)s1)N(C)C ZINC000159415919 206245108 /nfs/dbraw/zinc/24/51/08/206245108.db2.gz HQRZMIOCQUAPRF-NSHDSACASA-N 0 3 333.479 1.003 10 70 EDIEHN C[C@H]1CN(CCN(C)Cc2ccc(F)cc2)C[C@@H]1N1CCOCC1 ZINC000160078077 441857487 /nfs/dbraw/zinc/85/74/87/441857487.db2.gz IOICRLRHCSIDOU-LPHOPBHVSA-N 0 3 335.467 1.910 10 70 EDIEHN CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@H]1CCCN1CC(C)C ZINC000159899979 225298951 /nfs/dbraw/zinc/29/89/51/225298951.db2.gz WLUQOJULPAVFFH-UONOGXRCSA-N 0 3 333.498 1.229 10 70 EDIEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCCN(C)C1)CC2 ZINC000159452909 441815682 /nfs/dbraw/zinc/81/56/82/441815682.db2.gz GFUGNYOKNUZBJT-ZIAGYGMSSA-N 0 3 334.468 1.357 10 70 EDIEHN C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160356362 441873782 /nfs/dbraw/zinc/87/37/82/441873782.db2.gz ZDGHGLFEDGGRHA-GOEBONIOSA-N 0 3 348.447 1.160 10 70 EDIEHN CC(C)n1ccnc1CS(=O)(=O)C(C)C(=O)NC[C@@H]1CCCO1 ZINC000161219201 441973339 /nfs/dbraw/zinc/97/33/39/441973339.db2.gz GKBXYOCUABPXPX-OLZOCXBDSA-N 0 3 343.449 1.063 10 70 EDIEHN Cc1c(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cnn1-c1ccccc1 ZINC000161013360 441946420 /nfs/dbraw/zinc/94/64/20/441946420.db2.gz MWAYSVMRAJNGTK-OAHLLOKOSA-N 0 3 341.415 1.282 10 70 EDIEHN C[C@@H](NC(=O)[C@]1(C)COC[C@H]1N)c1ccc(Br)cc1 ZINC000160057000 533271730 /nfs/dbraw/zinc/27/17/30/533271730.db2.gz XOZCNNLNBJKBQH-GAJTVXKRSA-N 0 3 327.222 1.990 10 70 EDIEHN COCc1nc2n(n1)CCC[C@H]2NC(=O)N(CCN(C)C)C(C)C ZINC000159697596 225261282 /nfs/dbraw/zinc/26/12/82/225261282.db2.gz BQBDMGYZQBNNOV-CYBMUJFWSA-N 0 3 338.456 1.241 10 70 EDIEHN CC(C)CC(=O)N[C@@H](C(=O)NC[C@H](O)CN1CCCCC1)C(C)C ZINC000159921316 441848139 /nfs/dbraw/zinc/84/81/39/441848139.db2.gz KFNHIUUIFAMJOS-DOTOQJQBSA-N 0 3 341.496 1.136 10 70 EDIEHN CCC[C@@H](C(=O)NCc1ccccc1S(=O)(=O)N(C)C)N(C)C ZINC000161365846 441991112 /nfs/dbraw/zinc/99/11/12/441991112.db2.gz WCWNNIXVVZFOHT-AWEZNQCLSA-N 0 3 341.477 1.283 10 70 EDIEHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CCO1 ZINC000160672835 276765994 /nfs/dbraw/zinc/76/59/94/276765994.db2.gz HZKMWBWSWXONEP-KURKYZTESA-N 0 3 347.459 1.879 10 70 EDIEHN CCC[C@@H](C(=O)N1CCCN(CC(=O)N(CC)CC)CC1)N(C)C ZINC000159749895 441834980 /nfs/dbraw/zinc/83/49/80/441834980.db2.gz QKVLXEXIGRANNU-INIZCTEOSA-N 0 3 340.512 1.119 10 70 EDIEHN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(CCN(C)C)C(C)C ZINC000159697738 533284161 /nfs/dbraw/zinc/28/41/61/533284161.db2.gz BQBDMGYZQBNNOV-ZDUSSCGKSA-N 0 3 338.456 1.241 10 70 EDIEHN O=C(NC[C@H](O)CN1CCCCC1)Nc1ccn(CC(F)(F)F)n1 ZINC000160576596 441898065 /nfs/dbraw/zinc/89/80/65/441898065.db2.gz ATUJIDDOCPNEIZ-NSHDSACASA-N 0 3 349.357 1.414 10 70 EDIEHN Cc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c2c(=O)[nH]n(C)c2n1 ZINC000161241913 441975576 /nfs/dbraw/zinc/97/55/76/441975576.db2.gz WZPXPOXKUONPTI-GWCFXTLKSA-N 0 3 331.420 1.029 10 70 EDIEHN NC[C@H](c1ccc(Cl)s1)N1CCOC[C@@H]1C(=O)NC1CC1 ZINC000159407121 225212028 /nfs/dbraw/zinc/21/20/28/225212028.db2.gz YNLONLNGVLFVEU-GHMZBOCLSA-N 0 3 329.853 1.381 10 70 EDIEHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(c2ccn[nH]2)CC1 ZINC000160552912 441896290 /nfs/dbraw/zinc/89/62/90/441896290.db2.gz JJKYIRRQXBCHDX-SECBINFHSA-N 0 3 347.341 1.366 10 70 EDIEHN CCC[C@H](C(=O)NCc1ccc(S(=O)(=O)NC)s1)N(C)C ZINC000159416052 527981971 /nfs/dbraw/zinc/98/19/71/527981971.db2.gz HQRZMIOCQUAPRF-LLVKDONJSA-N 0 3 333.479 1.003 10 70 EDIEHN CCCN(CCNC(=O)N1CC[C@H](N(C)C)C1)C(=O)OC(C)(C)C ZINC000160891750 441932465 /nfs/dbraw/zinc/93/24/65/441932465.db2.gz HRWSHQCXAKSKPP-AWEZNQCLSA-N 0 3 342.484 1.979 10 70 EDIEHN CC[C@@](C)(O)CN1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000161189233 441969122 /nfs/dbraw/zinc/96/91/22/441969122.db2.gz FXIFYLURRSLALZ-GOSISDBHSA-N 0 3 337.439 1.334 10 70 EDIEHN CCC[C@H](C(=O)NC[C@@H](C(CC)CC)N1CCOCC1)N(C)C ZINC000159583784 318419620 /nfs/dbraw/zinc/41/96/20/318419620.db2.gz ZUWTZEPRTOUNQN-SJORKVTESA-N 0 3 327.513 1.970 10 70 EDIEHN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160356483 441873625 /nfs/dbraw/zinc/87/36/25/441873625.db2.gz ZDGHGLFEDGGRHA-GDBMZVCRSA-N 0 3 348.447 1.160 10 70 EDIEHN CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161113606 441959356 /nfs/dbraw/zinc/95/93/56/441959356.db2.gz ZDMWTSSPFQDZJK-MRXNPFEDSA-N 0 3 348.495 1.746 10 70 EDIEHN CN(C)c1nc(CN(C)C2CCN(CCn3cccn3)CC2)ns1 ZINC000159939888 441849719 /nfs/dbraw/zinc/84/97/19/441849719.db2.gz INQOJEJHWBPPPJ-UHFFFAOYSA-N 0 3 349.508 1.397 10 70 EDIEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160479964 441887196 /nfs/dbraw/zinc/88/71/96/441887196.db2.gz GYZGWIAGMLTNGF-HNNXBMFYSA-N 0 3 338.411 1.850 10 70 EDIEHN Cc1ccc(-c2cc(C(=O)NC[C@@H](O)CN3CCCCC3)[nH]n2)cc1 ZINC000159949790 441849267 /nfs/dbraw/zinc/84/92/67/441849267.db2.gz GJFRORZTEQFJBT-MRXNPFEDSA-N 0 3 342.443 1.962 10 70 EDIEHN CC[C@](C)(O)CN(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000160737083 441915684 /nfs/dbraw/zinc/91/56/84/441915684.db2.gz SPSULOFEBHXETF-INIZCTEOSA-N 0 3 329.462 1.952 10 70 EDIEHN CC(C)(C)CCN1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000161161140 441964672 /nfs/dbraw/zinc/96/46/72/441964672.db2.gz OTJSDNJLHWMART-AWEZNQCLSA-N 0 3 334.468 1.356 10 70 EDIEHN CC(C)[C@H](O)CC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000160123479 527718532 /nfs/dbraw/zinc/71/85/32/527718532.db2.gz NPWRIAXKBBWKDM-MRXNPFEDSA-N 0 3 334.464 1.199 10 70 EDIEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000160265889 225375476 /nfs/dbraw/zinc/37/54/76/225375476.db2.gz XJPNUHHQHVBVAD-TZMCWYRMSA-N 0 3 346.406 1.664 10 70 EDIEHN CCC[C@@H](C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1)N(C)C ZINC000159405389 441809283 /nfs/dbraw/zinc/80/92/83/441809283.db2.gz BPFYELOSCKSWGL-KRWDZBQOSA-N 0 3 335.496 1.411 10 70 EDIEHN Cc1nc(C)c(CCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(=O)[n-]1 ZINC000160588915 441899091 /nfs/dbraw/zinc/89/90/91/441899091.db2.gz LANBIFGLXYPWGP-OAHLLOKOSA-N 0 3 334.464 1.556 10 70 EDIEHN Cc1nc(C)c(CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(=O)[n-]1 ZINC000160588915 441899093 /nfs/dbraw/zinc/89/90/93/441899093.db2.gz LANBIFGLXYPWGP-OAHLLOKOSA-N 0 3 334.464 1.556 10 70 EDIEHN CCC[C@H](C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)N(C)C ZINC000161459323 442002334 /nfs/dbraw/zinc/00/23/34/442002334.db2.gz WDJWEQMOAQCTCE-MRXNPFEDSA-N 0 3 335.423 1.840 10 70 EDIEHN O=C(NC1CCN(C2CC2)CC1)c1cccc(C(=O)N2CCCC2)n1 ZINC000159369448 534797892 /nfs/dbraw/zinc/79/78/92/534797892.db2.gz LSRVVQIHPICPOT-UHFFFAOYSA-N 0 3 342.443 1.674 10 70 EDIEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000160263147 441869934 /nfs/dbraw/zinc/86/99/34/441869934.db2.gz HHGOAGXVYWABHH-SWLSCSKDSA-N 0 3 329.379 1.715 10 70 EDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)NCCCc2ccccc2)C1 ZINC000161379622 441992795 /nfs/dbraw/zinc/99/27/95/441992795.db2.gz UCBHAVNGRIMYQV-WBVHZDCISA-N 0 3 331.460 1.580 10 70 EDIEHN CC(C)[C@@H](O)CC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000160123608 528614428 /nfs/dbraw/zinc/61/44/28/528614428.db2.gz NPWRIAXKBBWKDM-INIZCTEOSA-N 0 3 334.464 1.199 10 70 EDIEHN CNC(=O)[C@H]1CNCCN1Cc1ccc(Br)c(F)c1 ZINC000161502170 529928999 /nfs/dbraw/zinc/92/89/99/529928999.db2.gz KDTRYJPAZSFYSG-GFCCVEGCSA-N 0 3 330.201 1.108 10 70 EDIEHN C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160356103 441873839 /nfs/dbraw/zinc/87/38/39/441873839.db2.gz ZDGHGLFEDGGRHA-HOCLYGCPSA-N 0 3 348.447 1.160 10 70 EDIEHN C[C@H](NC(=O)[C@@H]1CCCCN1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160756470 441917741 /nfs/dbraw/zinc/91/77/41/441917741.db2.gz SELGJQZEDPHGAN-GWCFXTLKSA-N 0 3 328.409 1.549 10 70 EDIEHN CCC[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCOCC1)N(C)C ZINC000161095302 441956535 /nfs/dbraw/zinc/95/65/35/441956535.db2.gz QCJMDUFCKSROOR-GJZGRUSLSA-N 0 3 339.505 1.968 10 70 EDIEHN CC(C)[C@@H](O)CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000159824383 528616707 /nfs/dbraw/zinc/61/67/07/528616707.db2.gz IBIOMBPDKWQIBK-KRWDZBQOSA-N 0 3 347.459 1.858 10 70 EDIEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160479823 206299109 /nfs/dbraw/zinc/29/91/09/206299109.db2.gz GYZGWIAGMLTNGF-OAHLLOKOSA-N 0 3 338.411 1.850 10 70 EDIEHN CCC[C@H](C(=O)N1CCN(CCOc2ccccc2)CC1)N(C)C ZINC000161258055 441978213 /nfs/dbraw/zinc/97/82/13/441978213.db2.gz SFMQOLWJBBEBNG-GOSISDBHSA-N 0 3 333.476 1.940 10 70 EDIEHN CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)C(C)C ZINC000159921575 441847860 /nfs/dbraw/zinc/84/78/60/441847860.db2.gz KFNHIUUIFAMJOS-NVXWUHKLSA-N 0 3 341.496 1.136 10 70 EDIEHN CCCNC(=O)[C@@H]1COCCN1[C@@H](CN)c1ccc(Cl)s1 ZINC000159392206 201408449 /nfs/dbraw/zinc/40/84/49/201408449.db2.gz GCGHBSIFMUPXFW-QWRGUYRKSA-N 0 3 331.869 1.628 10 70 EDIEHN O=C(CCc1nc(-c2ccco2)no1)NC[C@@H](O)CN1CCCCC1 ZINC000160575082 206305009 /nfs/dbraw/zinc/30/50/09/206305009.db2.gz DAAGKGTZCHXWGC-CYBMUJFWSA-N 0 3 348.403 1.225 10 70 EDIEHN CC1CCC(N2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)CC1 ZINC000161353258 441990134 /nfs/dbraw/zinc/99/01/34/441990134.db2.gz HLIYKGQIDZTBOB-HWOWSKLDSA-N 0 3 346.479 1.499 10 70 EDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000161147937 206331514 /nfs/dbraw/zinc/33/15/14/206331514.db2.gz RKXRQIKGGMUNBA-NEWSRXKRSA-N 0 3 345.487 1.732 10 70 EDIEHN CCn1cnnc1[C@@H]1CCCN(C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000161360738 441991378 /nfs/dbraw/zinc/99/13/78/441991378.db2.gz MPVRIOCJKKCEQV-PMPSAXMXSA-N 0 3 338.452 1.034 10 70 EDIEHN CC(C)N1C[C@H](NC(=O)C(=O)NCCCc2ccccc2)[C@@H](C)C1 ZINC000161379714 206345456 /nfs/dbraw/zinc/34/54/56/206345456.db2.gz UCBHAVNGRIMYQV-RDJZCZTQSA-N 0 3 331.460 1.580 10 70 EDIEHN CCC[C@@H](C(=O)N1CCN(CCOc2ccccc2)CC1)N(C)C ZINC000161257935 441978477 /nfs/dbraw/zinc/97/84/77/441978477.db2.gz SFMQOLWJBBEBNG-SFHVURJKSA-N 0 3 333.476 1.940 10 70 EDIEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)CC1CCN(C)CC1)CC2 ZINC000161408273 302926512 /nfs/dbraw/zinc/92/65/12/302926512.db2.gz IAECPSYHELLHJU-HNNXBMFYSA-N 0 3 348.495 1.700 10 70 EDIEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000160265998 533999188 /nfs/dbraw/zinc/99/91/88/533999188.db2.gz XJPNUHHQHVBVAD-GXTWGEPZSA-N 0 3 346.406 1.664 10 70 EDIEHN CC[C@H](N)[C@H](c1ccc(Cl)s1)N1CCOC[C@@H]1C(=O)NC ZINC000159373804 529454145 /nfs/dbraw/zinc/45/41/45/529454145.db2.gz OVIGUPNRHWGKQS-OPQQBVKSSA-N 0 3 331.869 1.627 10 70 EDIEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)CC1CCN(C)CC1)CC2 ZINC000161408136 441996742 /nfs/dbraw/zinc/99/67/42/441996742.db2.gz IAECPSYHELLHJU-OAHLLOKOSA-N 0 3 348.495 1.700 10 70 EDIEHN CCC[C@H](C(=O)NCC1(N2CCOCC2)CCCCC1)N(C)C ZINC000161227629 441974561 /nfs/dbraw/zinc/97/45/61/441974561.db2.gz BLAICYAQJAITAG-MRXNPFEDSA-N 0 3 325.497 1.868 10 70 EDIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000161337019 441987298 /nfs/dbraw/zinc/98/72/98/441987298.db2.gz NFIGWVNDXPALTP-ABAIWWIYSA-N 0 3 348.838 1.774 10 70 EDIEHN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](N3CCCC3)C1)CC2 ZINC000161471921 442002522 /nfs/dbraw/zinc/00/25/22/442002522.db2.gz IFKPRROINCKROO-LSDHHAIUSA-N 0 3 346.479 1.596 10 70 EDIEHN CO[C@]1(CNCC(=O)Nc2cccc(Br)c2)CCOC1 ZINC000160342444 225392041 /nfs/dbraw/zinc/39/20/41/225392041.db2.gz DFXYEAZXOTWLPN-AWEZNQCLSA-N 0 3 343.221 1.783 10 70 EDIEHN CN(CCN1CCc2nn(C)c(=O)cc2C1)Cc1ccc(F)cc1 ZINC000159913174 441845405 /nfs/dbraw/zinc/84/54/05/441845405.db2.gz DTMORDKQDMMSEA-UHFFFAOYSA-N 0 3 330.407 1.410 10 70 EDIEHN