smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1ccsc1)C1CCN(c2cccc(NC(=O)c3cccnc3)c2)CC1 ZINC000011913552 132352217 /nfs/dbraw/zinc/35/22/17/132352217.db2.gz CWHBTABYAWELKY-UHFFFAOYSA-N 0 3 406.555 4.496 10 0 HIAEHN Cc1ccc2[nH]c(=O)c3cc(C(=O)N(CCN(C)C)Cc4ccccc4)sc3c2c1 ZINC000006739383 557718552 /nfs/dbraw/zinc/71/85/52/557718552.db2.gz UVLYINCAASDGBI-UHFFFAOYSA-N 0 3 419.550 4.255 10 0 HIAEHN C[C@@H]1CN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000020204296 558346545 /nfs/dbraw/zinc/34/65/45/558346545.db2.gz HKJPENLIORZCPY-OYRHEFFESA-N 0 3 422.569 4.022 10 0 HIAEHN Cc1cc(C(=O)OC(C)(C)C)cc2c1[C@H](N)C[C@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725260893 559165939 /nfs/dbraw/zinc/16/59/39/559165939.db2.gz ZCUNEKWAJLRTPA-MWTRTKDXSA-N 0 3 418.534 4.112 10 0 HIAEHN OC1CCN(c2nc3cc(Cl)ccc3cc2CNCCc2ccc(F)cc2)CC1 ZINC000299789947 568875854 /nfs/dbraw/zinc/87/58/54/568875854.db2.gz AQOBQUIYSWJNOE-UHFFFAOYSA-N 0 3 413.924 4.321 10 0 HIAEHN CC(C)C[C@@H]1N[C@H](C(=O)NC(C)C)Cc2cn(Cc3cccnc3)c3cccc1c23 ZINC000049171585 291261757 /nfs/dbraw/zinc/26/17/57/291261757.db2.gz LFFDTLPTCFYCPX-VXKWHMMOSA-N 0 3 404.558 4.211 10 0 HIAEHN COc1ccccc1CNC(=O)[C@@H]1Cc2cn(C)c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171468 291267193 /nfs/dbraw/zinc/26/71/93/291267193.db2.gz ZBPAJELFJVXLNX-SFTDATJTSA-N 0 3 405.542 4.105 10 0 HIAEHN CC(=O)N1CCc2cc([C@H](O)CN(Cc3ccccc3)Cc3ccccc3)ccc21 ZINC000020287268 568597246 /nfs/dbraw/zinc/59/72/46/568597246.db2.gz YAGAGBASFACYON-AREMUKBSSA-N 0 3 400.522 4.331 10 0 HIAEHN C[C@H]1CN(c2nc(-c3ccc(Br)cc3)nnc2-c2ccccc2)C[C@H](C)N1 ZINC000008445195 132330250 /nfs/dbraw/zinc/33/02/50/132330250.db2.gz DGSLNAYNGJCLCL-GJZGRUSLSA-N 0 3 424.346 4.155 10 0 HIAEHN CC(=O)Nc1nc2ccc(CC(=O)Nc3cccc(CN4CCCC4)c3)cc2s1 ZINC000032959608 519753213 /nfs/dbraw/zinc/75/32/13/519753213.db2.gz PWYDMSSGWOZEOI-UHFFFAOYSA-N 0 3 408.527 4.032 10 0 HIAEHN COc1ccccc1/C=C/CN1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(F)cc2)C1 ZINC000011909172 558296131 /nfs/dbraw/zinc/29/61/31/558296131.db2.gz ZJFYBJHTKJBNOT-RUNSZDOXSA-N 0 3 408.517 4.361 10 0 HIAEHN O[C@H](Cc1ccccc1)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000106680256 560892966 /nfs/dbraw/zinc/89/29/66/560892966.db2.gz BCASFXXIOZMCLE-JWQCQUIFSA-N 0 3 400.522 4.285 10 0 HIAEHN O=C(Nc1ccnn1C1CCN(Cc2cccc(O)c2)CC1)Nc1cccc(F)c1 ZINC000012585427 568866264 /nfs/dbraw/zinc/86/62/64/568866264.db2.gz VLNPHLHSHRMHFV-UHFFFAOYSA-N 0 3 409.465 4.209 10 0 HIAEHN Cc1cc2nc(Cc3ccc(F)cc3)n([C@@H](C)C(=O)NCCN3CCCC3)c2cc1C ZINC000037397548 569296711 /nfs/dbraw/zinc/29/67/11/569296711.db2.gz PPLJFTSHZPMJET-IBGZPJMESA-N 0 3 422.548 4.156 10 0 HIAEHN OC[C@@]1(Cc2ccccc2F)CCCN(C2CCN(c3ccccc3F)CC2)C1 ZINC000011937838 132352356 /nfs/dbraw/zinc/35/23/56/132352356.db2.gz JQWFULHFHXISBK-XMMPIXPASA-N 0 3 400.513 4.251 10 0 HIAEHN COc1ccc(-c2n[nH]cc2CN2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 ZINC000020601406 523182717 /nfs/dbraw/zinc/18/27/17/523182717.db2.gz DPIZWKXRNFSFRN-QHCPKHFHSA-N 0 3 402.542 4.108 10 0 HIAEHN CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1C1CCCCCC1 ZINC000012080296 558320832 /nfs/dbraw/zinc/32/08/32/558320832.db2.gz BPEXIGXDBBNQMS-PXNSSMCTSA-N 0 3 400.592 4.345 10 0 HIAEHN CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6cccc(O)c6)nc5c4)nc3c2)CC1 ZINC000026503609 132227321 /nfs/dbraw/zinc/22/73/21/132227321.db2.gz WOFDIDGQAOQHGY-UHFFFAOYSA-N 0 3 424.508 4.231 10 0 HIAEHN CN1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6cccc(O)c6)[nH]c5c4)nc3c2)CC1 ZINC000026503609 132227322 /nfs/dbraw/zinc/22/73/22/132227322.db2.gz WOFDIDGQAOQHGY-UHFFFAOYSA-N 0 3 424.508 4.231 10 0 HIAEHN Cc1cccc(C[C@H](C)N2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)n1 ZINC000020600738 524469038 /nfs/dbraw/zinc/46/90/38/524469038.db2.gz RUHLBHXJMKVPCL-FQEVSTJZSA-N 0 3 407.558 4.100 10 0 HIAEHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn2c(n1)CC[C@H](c1ccccc1)C2 ZINC000034839990 557468695 /nfs/dbraw/zinc/46/86/95/557468695.db2.gz JPULROSZYLCKNJ-QFIPXVFZSA-N 0 3 414.553 4.008 10 0 HIAEHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn2c(n1)CC[C@@H](c1ccccc1)C2 ZINC000034839993 557468706 /nfs/dbraw/zinc/46/87/06/557468706.db2.gz JPULROSZYLCKNJ-JOCHJYFZSA-N 0 3 414.553 4.008 10 0 HIAEHN Cc1cc(C(=O)OC(C)(C)C)cc2c1[C@@H](N)C[C@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725260892 559165977 /nfs/dbraw/zinc/16/59/77/559165977.db2.gz ZCUNEKWAJLRTPA-HJPURHCSSA-N 0 3 418.534 4.112 10 0 HIAEHN CC(C)CN(Cc1cccn1Cc1cccc(F)c1)C[C@H](O)COCc1ccco1 ZINC000004513986 568919829 /nfs/dbraw/zinc/91/98/29/568919829.db2.gz RFVJKUBUMALWHP-QHCPKHFHSA-N 0 3 414.521 4.304 10 0 HIAEHN CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccc3c(c2)CCO3)Cc2c[nH]c3cccc1c23 ZINC000049171455 291261734 /nfs/dbraw/zinc/26/17/34/291261734.db2.gz WLCSXJGRKZBKRY-VXKWHMMOSA-N 0 3 403.526 4.021 10 0 HIAEHN COc1ccc2c(C)nc(N3CCC(N4CCC[C@@H](C(=O)CC(C)C)C4)CC3)nc2c1 ZINC000011815414 536963733 /nfs/dbraw/zinc/96/37/33/536963733.db2.gz YTSMOGFUKNFIGB-LJQANCHMSA-N 0 3 424.589 4.243 10 0 HIAEHN Cc1ccccc1Cn1cccc1CN(CC(C)C)C[C@@H](O)COCc1ccco1 ZINC000004572456 558746547 /nfs/dbraw/zinc/74/65/47/558746547.db2.gz QLEQUQHKINYLBL-XMMPIXPASA-N 0 3 410.558 4.474 10 0 HIAEHN COc1ccccc1CN1CCC[C@H](c2ccnc(SCCN3CCCC3)n2)C1 ZINC000012099977 560888985 /nfs/dbraw/zinc/88/89/85/560888985.db2.gz KEQJSVXGOSHMCG-IBGZPJMESA-N 0 3 412.603 4.053 10 0 HIAEHN CCN(Cc1ccncc1)[C@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020203705 568594216 /nfs/dbraw/zinc/59/42/16/568594216.db2.gz REKMJUFZYCVWPA-QFIPXVFZSA-N 0 3 403.530 4.150 10 0 HIAEHN COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1 ZINC000020601405 523183258 /nfs/dbraw/zinc/18/32/58/523183258.db2.gz DPIZWKXRNFSFRN-HSZRJFAPSA-N 0 3 402.542 4.108 10 0 HIAEHN COc1ccc2c(C)nc(N3CCC(N4CCC[C@H](C(=O)CC(C)C)C4)CC3)nc2c1 ZINC000011815415 536963305 /nfs/dbraw/zinc/96/33/05/536963305.db2.gz YTSMOGFUKNFIGB-IBGZPJMESA-N 0 3 424.589 4.243 10 0 HIAEHN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2cccc(OCCO)c2)cc1 ZINC000012711353 558452368 /nfs/dbraw/zinc/45/23/68/558452368.db2.gz RIWBIGDGPVQDHT-HSZRJFAPSA-N 0 3 405.542 4.355 10 0 HIAEHN O=C(NCCN1CCCCC1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033261100 569059405 /nfs/dbraw/zinc/05/94/05/569059405.db2.gz OQNDPBMRHITYIG-UHFFFAOYSA-N 0 3 401.514 4.103 10 0 HIAEHN COC(=O)CCCN(C/C=C/c1ccc(OC)c(OC)c1)Cc1ccc(F)cc1 ZINC000390822706 569070140 /nfs/dbraw/zinc/07/01/40/569070140.db2.gz HIUNEUVBHOEZDZ-GQCTYLIASA-N 0 3 401.478 4.312 10 0 HIAEHN COc1ccccc1CN1CCC[C@@H](c2ccnc(SCCN3CCCC3)n2)C1 ZINC000012099976 569399669 /nfs/dbraw/zinc/39/96/69/569399669.db2.gz KEQJSVXGOSHMCG-LJQANCHMSA-N 0 3 412.603 4.053 10 0 HIAEHN COc1ccccc1NC(=O)[C@@H]1CC12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000012127927 558331539 /nfs/dbraw/zinc/33/15/39/558331539.db2.gz XEVTZVXQKAHBJM-FQEVSTJZSA-N 0 3 416.525 4.326 10 0 HIAEHN Cc1cc(C(=O)OC(C)(C)C)cc2c1[C@@H](N)C[C@@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725260894 559165948 /nfs/dbraw/zinc/16/59/48/559165948.db2.gz ZCUNEKWAJLRTPA-QMHKHESXSA-N 0 3 418.534 4.112 10 0 HIAEHN CCS(=O)(=O)Nc1cccc(N2CCC(N[C@H](C)c3ccccc3Cl)CC2)c1 ZINC000012051043 132353262 /nfs/dbraw/zinc/35/32/62/132353262.db2.gz ASIGQJZGJKVCLU-MRXNPFEDSA-N 0 3 421.994 4.421 10 0 HIAEHN COc1ccc(CN2C(=O)CC[C@@H]3CN(Cc4ccc(C)s4)CC[C@@H]32)cc1OC ZINC000011839512 558286173 /nfs/dbraw/zinc/28/61/73/558286173.db2.gz KXAFYYJTRJEYPD-QUCCMNQESA-N 0 3 414.571 4.087 10 0 HIAEHN NCc1cccc2c1OCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000725260105 559164083 /nfs/dbraw/zinc/16/40/83/559164083.db2.gz MSRPWADIVRHGQD-UHFFFAOYSA-N 0 3 400.478 4.289 10 0 HIAEHN C[C@@H]1CN(c2nc(-c3ccc(Br)cc3)nnc2-c2ccccc2)C[C@@H](C)N1 ZINC000008445197 132330215 /nfs/dbraw/zinc/33/02/15/132330215.db2.gz DGSLNAYNGJCLCL-HUUCEWRRSA-N 0 3 424.346 4.155 10 0 HIAEHN CCN1CCC(N(Cc2ccco2)C(=O)Nc2cc(Cl)ccc2C(=O)OC)CC1 ZINC000006877601 569164469 /nfs/dbraw/zinc/16/44/69/569164469.db2.gz QAJNKOBHMIURSL-UHFFFAOYSA-N 0 3 419.909 4.238 10 0 HIAEHN COc1ccccc1CCNCc1cc2ccc(Cl)cc2nc1N1CCOCC1 ZINC000020136879 524423139 /nfs/dbraw/zinc/42/31/39/524423139.db2.gz QLRCEHDWJCORTG-UHFFFAOYSA-N 0 3 411.933 4.066 10 0 HIAEHN CCC[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccc(Cl)c(Cl)c1 ZINC000100208388 559131878 /nfs/dbraw/zinc/13/18/78/559131878.db2.gz XOGPKSZIPVZNBU-BZSNNMDCSA-N 0 3 405.281 4.472 10 0 HIAEHN Cc1ccc(C(=O)N(CCN(C)C)Cc2csc(COc3ccccc3)n2)cc1 ZINC000036114622 571313868 /nfs/dbraw/zinc/31/38/68/571313868.db2.gz GKKBRFUHWVNLTA-UHFFFAOYSA-N 0 3 409.555 4.235 10 0 HIAEHN OC[C@]1(Cc2ccccc2F)CCCN(C2CCN(c3ccccc3F)CC2)C1 ZINC000011937839 132352398 /nfs/dbraw/zinc/35/23/98/132352398.db2.gz JQWFULHFHXISBK-DEOSSOPVSA-N 0 3 400.513 4.251 10 0 HIAEHN COc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccc(Cl)cc4)CC3)nc12 ZINC000045817612 524198971 /nfs/dbraw/zinc/19/89/71/524198971.db2.gz OJWCKFWBTKLJOP-UHFFFAOYSA-N 0 3 409.917 4.307 10 0 HIAEHN COc1ccc(-c2cn3c4ccc(C(=O)NCCN5CCCC5)cc4sc3n2)cc1 ZINC000006748708 569108755 /nfs/dbraw/zinc/10/87/55/569108755.db2.gz DNCWBJVXDXNNIJ-UHFFFAOYSA-N 0 3 420.538 4.050 10 0 HIAEHN CC1=C[C@@H](CNC(=O)CN(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 ZINC000077262205 291262236 /nfs/dbraw/zinc/26/22/36/291262236.db2.gz ZBHGPWFIBQLHCC-LNLFQRSKSA-N 0 3 416.997 4.291 10 0 HIAEHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1OC ZINC000012386850 558395524 /nfs/dbraw/zinc/39/55/24/558395524.db2.gz ONKODMIASATUQY-OAQYLSRUSA-N 0 3 411.546 4.183 10 0 HIAEHN O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(CN2CCCC2)[nH]c1=O ZINC000014966602 558685926 /nfs/dbraw/zinc/68/59/26/558685926.db2.gz HBJJMOUNVARQAW-JOCHJYFZSA-N 0 3 421.928 4.144 10 0 HIAEHN CC[C@H](c1ccc(Cl)cc1)N1CCC(OC)(c2nc(-c3cnccn3)no2)CC1 ZINC000583615936 560776435 /nfs/dbraw/zinc/77/64/35/560776435.db2.gz SOHCJPRXWRXUHJ-GOSISDBHSA-N 0 3 413.909 4.269 10 0 HIAEHN CCN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020203702 568594154 /nfs/dbraw/zinc/59/41/54/568594154.db2.gz REKMJUFZYCVWPA-JOCHJYFZSA-N 0 3 403.530 4.150 10 0 HIAEHN CCC(CC)CN1CCOc2ccc(CN3CCN(c4ccccn4)CC3)cc2C1 ZINC000012098622 132353954 /nfs/dbraw/zinc/35/39/54/132353954.db2.gz JCLJQARKKLRVKI-UHFFFAOYSA-N 0 3 408.590 4.034 10 0 HIAEHN CCC[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccc(Cl)c(Cl)c1 ZINC000013467548 558533488 /nfs/dbraw/zinc/53/34/88/558533488.db2.gz XOGPKSZIPVZNBU-KSZLIROESA-N 0 3 405.281 4.472 10 0 HIAEHN NCc1cccc2c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)CCO2 ZINC000725260834 559165713 /nfs/dbraw/zinc/16/57/13/559165713.db2.gz XMRJLABMNWDILQ-UHFFFAOYSA-N 0 3 400.478 4.289 10 0 HIAEHN Cc1cc2nc(Cc3ccc(F)cc3)n([C@H](C)C(=O)NCCN3CCCC3)c2cc1C ZINC000037397549 569296688 /nfs/dbraw/zinc/29/66/88/569296688.db2.gz PPLJFTSHZPMJET-LJQANCHMSA-N 0 3 422.548 4.156 10 0 HIAEHN C/C=C(\C)CN1CCOc2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2C1 ZINC000011786713 533431096 /nfs/dbraw/zinc/43/10/96/533431096.db2.gz VLBGLGPTPTZBRG-BIMFAAKUSA-N 0 3 409.549 4.309 10 0 HIAEHN Cc1cccc(C[C@@H](C)N2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)n1 ZINC000020600739 524464948 /nfs/dbraw/zinc/46/49/48/524464948.db2.gz RUHLBHXJMKVPCL-HXUWFJFHSA-N 0 3 407.558 4.100 10 0 HIAEHN O[C@H](Cc1ccccc1)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000096280229 568718047 /nfs/dbraw/zinc/71/80/47/568718047.db2.gz BCASFXXIOZMCLE-RPBOFIJWSA-N 0 3 400.522 4.285 10 0 HIAEHN CC(C)CN(Cc1cccn1Cc1cccc(F)c1)C[C@@H](O)COCc1ccco1 ZINC000004513988 558631638 /nfs/dbraw/zinc/63/16/38/558631638.db2.gz RFVJKUBUMALWHP-HSZRJFAPSA-N 0 3 414.521 4.304 10 0 HIAEHN CC[C@H](N)C(=O)Nc1nn(-c2cccc(F)c2)c2cccc(Oc3cccnc3)c12 ZINC000077393169 559003676 /nfs/dbraw/zinc/00/36/76/559003676.db2.gz WLMBJCIBGNHIMU-KRWDZBQOSA-N 0 3 405.433 4.028 10 0 HIAEHN COc1cccc(CN2C[C@@H]3C[C@@H](c4[nH]c5ccccc5c4C)N4CCC[C@@]34C2=O)c1 ZINC000011818775 559260459 /nfs/dbraw/zinc/26/04/59/559260459.db2.gz KUSBOBFKLALDCH-CZZAQMAHSA-N 0 3 415.537 4.423 10 0 HIAEHN CCc1c(C(=O)NCCN(C)C)c(CC(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000096207151 568704473 /nfs/dbraw/zinc/70/44/73/568704473.db2.gz JRVVMRDZHPOAQI-UHFFFAOYSA-N 0 3 411.377 4.231 10 0 HIAEHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000226258656 569278609 /nfs/dbraw/zinc/27/86/09/569278609.db2.gz JXUUXONYHBXYJE-UHFFFAOYSA-N 0 3 400.526 4.330 10 0 HIAEHN Cc1ccccc1Cn1cccc1CN(CC(C)C)C[C@H](O)COCc1ccco1 ZINC000004572455 558746535 /nfs/dbraw/zinc/74/65/35/558746535.db2.gz QLEQUQHKINYLBL-DEOSSOPVSA-N 0 3 410.558 4.474 10 0 HIAEHN COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccccc1 ZINC000003785292 560189418 /nfs/dbraw/zinc/18/94/18/560189418.db2.gz UVEKKXRFQCNLQE-DNQXCXABSA-N 0 3 421.493 4.254 10 0 in-vitro HIAEHN Cc1ccc(CN2CC[C@@H](CNC(=O)c3noc4c3CCc3sccc3-4)C2)cc1 ZINC000015733303 571261795 /nfs/dbraw/zinc/26/17/95/571261795.db2.gz NPPOLWAIOJNLGR-KRWDZBQOSA-N 0 3 407.539 4.062 10 0 HIAEHN CCS(=O)(=O)Nc1cccc(N2CCC(N[C@@H](C)c3ccccc3Cl)CC2)c1 ZINC000012051040 132353240 /nfs/dbraw/zinc/35/32/40/132353240.db2.gz ASIGQJZGJKVCLU-INIZCTEOSA-N 0 3 421.994 4.421 10 0 HIAEHN COc1ccccc1/C=C/CN1CCC2(C[C@H]2C(=O)NCCc2ccccc2)CC1 ZINC000012003634 558308714 /nfs/dbraw/zinc/30/87/14/558308714.db2.gz DDFZJFZNPCJMRP-BVRWQAIYSA-N 0 3 404.554 4.169 10 0 HIAEHN O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(CN2CCCC2)[nH]c1=O ZINC000014966597 558685939 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417.444 4.028 10 0 HIAEHN CC[C@@H](c1ccc(Cl)cc1)N1CCC(OC)(c2nc(-c3cnccn3)no2)CC1 ZINC000583615937 560776424 /nfs/dbraw/zinc/77/64/24/560776424.db2.gz SOHCJPRXWRXUHJ-SFHVURJKSA-N 0 3 413.909 4.269 10 0 HIAEHN NC(=O)c1cccc(CN2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)c1 ZINC000328603911 569417184 /nfs/dbraw/zinc/41/71/84/569417184.db2.gz HKEWKQXWAGSTFL-HYBUGGRVSA-N 0 3 402.498 4.097 10 0 HIAEHN COc1ccc(C(=O)N(C)CC2CCN(CCc3cccc(C(F)(F)F)c3)CC2)o1 ZINC000011662093 558265868 /nfs/dbraw/zinc/26/58/68/558265868.db2.gz JSESLYXCTWLYLW-UHFFFAOYSA-N 0 3 424.463 4.334 10 0 HIAEHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1OC ZINC000012386851 558395535 /nfs/dbraw/zinc/39/55/35/558395535.db2.gz ONKODMIASATUQY-NRFANRHFSA-N 0 3 411.546 4.183 10 0 HIAEHN CCC[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccc(Cl)c(Cl)c1 ZINC000102924712 559153592 /nfs/dbraw/zinc/15/35/92/559153592.db2.gz XOGPKSZIPVZNBU-RCCFBDPRSA-N 0 3 405.281 4.472 10 0 HIAEHN Cc1cc2c(C)nc(N3CCC(N4CCOc5ccccc5C4)CC3)nc2cc1F ZINC000011881349 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