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(c1ccccc1)[C@H]1CN(C2CCCCC2)[C@H]1c1ccccc1 ZINC000005045923 181195860 /nfs/dbraw/zinc/19/58/60/181195860.db2.gz ITKHXTZLDBGPSP-SFTDATJTSA-N 0 3 319.448 4.875 40 0 DJABHN CCCCCCN1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000005951296 181299855 /nfs/dbraw/zinc/29/98/55/181299855.db2.gz WXGKDINBEFIPNV-SFHVURJKSA-N 0 3 316.489 4.595 40 0 DJABHN Clc1cccc(Cl)c1CNCCc1c[nH]c2ccccc12 ZINC000020565211 182233643 /nfs/dbraw/zinc/23/36/43/182233643.db2.gz WFNFOCDKYKTUBV-UHFFFAOYSA-N 0 3 319.235 4.807 40 0 DJABHN Clc1cccc(Cl)c1CNC1C2CC3CC(C2)CC1C3 ZINC000022073727 182307729 /nfs/dbraw/zinc/30/77/29/182307729.db2.gz OATCQYBWMAMJQV-UHFFFAOYSA-N 0 3 310.268 4.908 40 0 DJABHN CCOc1ccc2nc(C)cc(Nc3cc(C)cc(C)c3)c2c1 ZINC000041127702 183169930 /nfs/dbraw/zinc/16/99/30/183169930.db2.gz ZRSUIOHHJRYGGJ-UHFFFAOYSA-N 0 3 306.409 4.724 40 0 DJABHN CC(C)CN1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216725 257124888 /nfs/dbraw/zinc/12/48/88/257124888.db2.gz LMBNNZMVEKFEIJ-IBGZPJMESA-N 0 3 315.505 4.645 40 0 DJABHN CC[C@H](C)Nc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072213486 257125848 /nfs/dbraw/zinc/12/58/48/257125848.db2.gz OCNHBINLNOCLPC-QFBILLFUSA-N 0 3 309.457 4.629 40 0 DJABHN c1ccc(CN2CCC[C@@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213947 257126223 /nfs/dbraw/zinc/12/62/23/257126223.db2.gz VNCZLQMHXZBHJV-HXUWFJFHSA-N 0 3 321.468 4.773 40 0 DJABHN CCCN1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214276 257126504 /nfs/dbraw/zinc/12/65/04/257126504.db2.gz LIMMKBSSWKRSIE-LJQANCHMSA-N 0 3 309.457 4.787 40 0 DJABHN CCCCN1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212044 257127272 /nfs/dbraw/zinc/12/72/72/257127272.db2.gz IAIMRUZLPZROGM-FQEVSTJZSA-N 0 3 324.468 4.988 40 0 DJABHN CCCCN1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213021 257127305 /nfs/dbraw/zinc/12/73/05/257127305.db2.gz AGJAHDZGQXUETK-GOSISDBHSA-N 0 3 303.494 4.642 40 0 DJABHN CC[C@@H](C)Nc1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072213371 257127334 /nfs/dbraw/zinc/12/73/34/257127334.db2.gz RKAGPTYFLJXVLF-APWZRJJASA-N 0 3 309.457 4.629 40 0 DJABHN CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008227213 563641810 /nfs/dbraw/zinc/64/18/10/563641810.db2.gz PWWMTLHILVHUJY-UHFFFAOYSA-N 0 3 310.224 4.682 40 0 DJABHN O[C@@H](c1ccccc1)[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000001594045 563286882 /nfs/dbraw/zinc/28/68/82/563286882.db2.gz XJMZJRWEOUFEJY-OALUTQOASA-N 0 3 315.844 4.601 40 0 DJABHN CN1CCC[C@@H](c2ccccc2)c2[nH]c3ccccc3c2CC1 ZINC000028567782 563432088 /nfs/dbraw/zinc/43/20/88/563432088.db2.gz AEHACZVHKAVVDK-KRWDZBQOSA-N 0 3 304.437 4.568 40 0 DJABHN c1csc(-c2ccc3c([C@H]4CCCN4C4CCC4)ncn3c2)c1 ZINC000306125222 231083308 /nfs/dbraw/zinc/08/33/08/231083308.db2.gz CJUJYXZRUANZSQ-QGZVFWFLSA-N 0 3 323.465 4.752 40 0 DJABHN CC(C)(C)C1=C[C@@H](c2ccccc2)[C@H]2CCCC[C@]23OCCN13 ZINC000004769678 181149611 /nfs/dbraw/zinc/14/96/11/181149611.db2.gz PKMKJGOXZVPWQD-UEXGIBASSA-N 0 3 311.469 4.933 40 0 DJABHN Clc1cccc(-c2ccc(CNCCc3ccccc3)o2)c1 ZINC000022076580 182308495 /nfs/dbraw/zinc/30/84/95/182308495.db2.gz NTVAWSIUPJMTPE-UHFFFAOYSA-N 0 3 311.812 4.932 40 0 DJABHN c1ccc(CN2CCCC[C@@H]2c2cnc3ccccc3c2)cc1 ZINC000072219591 257124509 /nfs/dbraw/zinc/12/45/09/257124509.db2.gz UUFDQBQRTFCNQB-OAQYLSRUSA-N 0 3 302.421 4.962 40 0 DJABHN CCCCNc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072213647 257126478 /nfs/dbraw/zinc/12/64/78/257126478.db2.gz QBSKGCLHJAMVKO-IBGZPJMESA-N 0 3 309.457 4.631 40 0 DJABHN CCN(CC)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072212863 257127171 /nfs/dbraw/zinc/12/71/71/257127171.db2.gz IZXIHGLBKWNPSF-HXUWFJFHSA-N 0 3 323.484 4.655 40 0 DJABHN CCCN1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213035 257127309 /nfs/dbraw/zinc/12/73/09/257127309.db2.gz HPELRZRXBXXSBP-SFHVURJKSA-N 0 3 303.494 4.642 40 0 DJABHN CC(C)C[C@H](C(=O)SC[C@H](C)N1CCCC1)c1ccccc1 ZINC000001706431 563292445 /nfs/dbraw/zinc/29/24/45/563292445.db2.gz AGAUFAOPIBCMNO-WMZOPIPTSA-N 0 3 319.514 4.560 40 0 DJABHN CC1CCN(Cc2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000216788697 563851933 /nfs/dbraw/zinc/85/19/33/563851933.db2.gz BSTLMNZVJPZXLX-UHFFFAOYSA-N 0 3 306.409 4.727 40 0 DJABHN CCOc1cccc(CNC(C)(C)C)c1OCc1ccccc1 ZINC000007539389 568412410 /nfs/dbraw/zinc/41/24/10/568412410.db2.gz GLZQGBQXPJDUDB-UHFFFAOYSA-N 0 3 313.441 4.552 40 0 DJABHN c1ccc(CCNCc2ccccc2OCc2ccccc2)cc1 ZINC000016479402 182046278 /nfs/dbraw/zinc/04/62/78/182046278.db2.gz AWDFEHBNLNAOSP-UHFFFAOYSA-N 0 3 317.432 4.598 40 0 DJABHN Cc1cc([C@H]2CCCCCN2Cc2ccnc3ccccc23)on1 ZINC000019120335 182105334 /nfs/dbraw/zinc/10/53/34/182105334.db2.gz PAIQRBOMDQRQJE-LJQANCHMSA-N 0 3 321.424 4.649 40 0 DJABHN Clc1ccc(CNCCc2c[nH]c3ccccc23)c(Cl)c1 ZINC000021014035 182261015 /nfs/dbraw/zinc/26/10/15/182261015.db2.gz RAZIQOAODTZLJM-UHFFFAOYSA-N 0 3 319.235 4.807 40 0 DJABHN Cc1nc(Sc2ccccc2)ccc1[C@H](N)c1ccccc1 ZINC000072224233 257123107 /nfs/dbraw/zinc/12/31/07/257123107.db2.gz MXGXWWDPRICGFE-LJQANCHMSA-N 0 3 306.434 4.589 40 0 DJABHN Cc1cc(Sc2ccccc2)ncc1[C@@H](N)c1ccccc1 ZINC000072223191 257123169 /nfs/dbraw/zinc/12/31/69/257123169.db2.gz NCCMDLFAVJFGIB-IBGZPJMESA-N 0 3 306.434 4.589 40 0 DJABHN CCCCNc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072213648 257126063 /nfs/dbraw/zinc/12/60/63/257126063.db2.gz QBSKGCLHJAMVKO-LJQANCHMSA-N 0 3 309.457 4.631 40 0 DJABHN CC(C)N1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214278 257126530 /nfs/dbraw/zinc/12/65/30/257126530.db2.gz OPQVQKCEWMQBBU-LJQANCHMSA-N 0 3 309.457 4.785 40 0 DJABHN c1ccc(CN2CCCC[C@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213865 257126623 /nfs/dbraw/zinc/12/66/23/257126623.db2.gz WZQOYIJZSBKROL-FQEVSTJZSA-N 0 3 321.468 4.773 40 0 DJABHN CCCCN1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212024 257127322 /nfs/dbraw/zinc/12/73/22/257127322.db2.gz HIDFCUVOYVXBHY-LJQANCHMSA-N 0 3 310.441 4.598 40 0 DJABHN CC(C)N1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212040 257127598 /nfs/dbraw/zinc/12/75/98/257127598.db2.gz IMLQVXMELQTFGT-IBGZPJMESA-N 0 3 310.441 4.596 40 0 DJABHN CCC(C)(C)c1ccc(C[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000031260966 521370163 /nfs/dbraw/zinc/37/01/63/521370163.db2.gz MQHLMHIZUIDKOO-BZSNNMDCSA-N 0 3 317.517 4.662 40 0 DJABHN O[C@H](c1ccccc1)[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000001594046 563286737 /nfs/dbraw/zinc/28/67/37/563286737.db2.gz XJMZJRWEOUFEJY-RBUKOAKNSA-N 0 3 315.844 4.601 40 0 DJABHN CCN(CC)CCC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000001649608 563289282 /nfs/dbraw/zinc/28/92/82/563289282.db2.gz OCEZMTQNMCZATA-UHFFFAOYSA-N 0 3 315.388 4.533 40 0 DJABHN CC(C)[C@H](C(=O)CCN1CCCCC1)c1ccc(Cl)cc1 ZINC000001848466 563296597 /nfs/dbraw/zinc/29/65/97/563296597.db2.gz CZUZKESIAYBZFZ-SFHVURJKSA-N 0 3 307.865 4.525 40 0 DJABHN CC(C)CNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000006883556 563639116 /nfs/dbraw/zinc/63/91/16/563639116.db2.gz YBPURMAJPBHOOU-UHFFFAOYSA-N 0 3 321.823 4.804 40 0 DJABHN CCCCCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007261058 563639809 /nfs/dbraw/zinc/63/98/09/563639809.db2.gz IDVCBCYIKWMZOL-HNNXBMFYSA-N 0 3 301.430 4.670 40 0 DJABHN CCCN1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000226250067 563913354 /nfs/dbraw/zinc/91/33/54/563913354.db2.gz FICMSNKNADJVFH-UHFFFAOYSA-N 0 3 318.420 4.994 40 0 DJABHN CC(C)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010365195 563922664 /nfs/dbraw/zinc/92/26/64/563922664.db2.gz RRJDEXVCFBMTJK-UHFFFAOYSA-N 0 3 322.452 4.658 40 0 DJABHN CN1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072348564 191127725 /nfs/dbraw/zinc/12/77/25/191127725.db2.gz QMZFULKHSQHCKF-CQSZACIVSA-N 0 3 320.358 4.577 40 0 DJABHN CCC[C@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C ZINC000003997922 181060562 /nfs/dbraw/zinc/06/05/62/181060562.db2.gz LNIGRARLURFSQQ-FIRPJDEBSA-N 0 3 309.453 4.630 40 0 DJABHN CC(C)(C)C1=C[C@@H](c2ccccc2)[C@@H]2CCCC[C@]23OCCN13 ZINC000004769676 181149676 /nfs/dbraw/zinc/14/96/76/181149676.db2.gz PKMKJGOXZVPWQD-WFXMLNOXSA-N 0 3 311.469 4.933 40 0 DJABHN CCCCCCOC(=O)C[C@@H](c1ccccc1)N1CCCCC1 ZINC000005973045 181302990 /nfs/dbraw/zinc/30/29/90/181302990.db2.gz WTQQCGXMPQXPMY-IBGZPJMESA-N 0 3 317.473 4.727 40 0 DJABHN Fc1ccc(CCNCc2ccc(-c3ccccc3F)o2)cc1 ZINC000022076483 182308483 /nfs/dbraw/zinc/30/84/83/182308483.db2.gz NFEGZIKYBNVJHU-UHFFFAOYSA-N 0 3 313.347 4.557 40 0 DJABHN Clc1ccc(-c2ccc(CNCCc3ccccc3)o2)cc1 ZINC000022076529 182308679 /nfs/dbraw/zinc/30/86/79/182308679.db2.gz KNHFVNIOGYWSDL-UHFFFAOYSA-N 0 3 311.812 4.932 40 0 DJABHN Cc1cc(SC2CCCCC2)ncc1[C@H](N)c1ccccc1 ZINC000072223846 257123242 /nfs/dbraw/zinc/12/32/42/257123242.db2.gz HIYDKFIOIIQOIO-LJQANCHMSA-N 0 3 312.482 4.863 40 0 DJABHN CC(C)Sc1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072217530 257124893 /nfs/dbraw/zinc/12/48/93/257124893.db2.gz HIGPNYLXXJDMCG-SFHVURJKSA-N 0 3 312.482 4.919 40 0 DJABHN CC(C)CN1CCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214261 257126435 /nfs/dbraw/zinc/12/64/35/257126435.db2.gz AGGXGJTVCZBURR-LJQANCHMSA-N 0 3 309.457 4.642 40 0 DJABHN CN(C)Cc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1 ZINC000001685328 563291480 /nfs/dbraw/zinc/29/14/80/563291480.db2.gz BUUWPDIOISGSRB-UHFFFAOYSA-N 0 3 318.464 4.630 40 0 DJABHN CCN(CC)CCC(=O)c1ccc2c3ccccc3n(CC)c2c1 ZINC000001710640 563292647 /nfs/dbraw/zinc/29/26/47/563292647.db2.gz NYNWPBQZXYLUGH-UHFFFAOYSA-N 0 3 322.452 4.729 40 0 DJABHN CN(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000001724567 563293939 /nfs/dbraw/zinc/29/39/39/563293939.db2.gz IKUSCBOQDLHKRC-UHFFFAOYSA-N 0 3 303.405 4.545 40 0 DJABHN CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 ZINC000002022527 563297534 /nfs/dbraw/zinc/29/75/34/563297534.db2.gz ANTKBACNWQHQJE-UHFFFAOYSA-N 0 3 301.474 4.860 40 0 in-vivo DJABHN CCCCCCNCc1cc(Br)ccc1OCC ZINC000007260989 563337304 /nfs/dbraw/zinc/33/73/04/563337304.db2.gz CPPQWEQEYMAJTK-UHFFFAOYSA-N 0 3 314.267 4.518 40 0 DJABHN CN(C)[C@H](CCOc1ccc2ccccc2c1)c1ccccc1 ZINC000011678767 563359142 /nfs/dbraw/zinc/35/91/42/563359142.db2.gz CWLFFSMYYURBLY-OAQYLSRUSA-N 0 3 305.421 4.912 40 0 DJABHN CCN(Cc1ccccc1)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000031628041 563440633 /nfs/dbraw/zinc/44/06/33/563440633.db2.gz ZIIWILKHOWBKRY-QGZVFWFLSA-N 0 3 324.251 4.549 40 0 DJABHN Fc1cccc(CNCc2ccc(OCc3ccccc3)cc2)c1 ZINC000035572445 563453429 /nfs/dbraw/zinc/45/34/29/563453429.db2.gz YAWLVQVFIVIOOX-UHFFFAOYSA-N 0 3 321.395 4.695 40 0 DJABHN CC(=O)Nc1ccc(Nc2cc(C)nc3ccc(C)cc32)cc1 ZINC000000303325 563607582 /nfs/dbraw/zinc/60/75/82/563607582.db2.gz KSQUXLWSQGOPOX-UHFFFAOYSA-N 0 3 305.381 4.554 40 0 DJABHN CC[C@H](C)NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000008326696 563642113 /nfs/dbraw/zinc/64/21/13/563642113.db2.gz POPBEZWOBXSIAY-AWEZNQCLSA-N 0 3 303.833 4.807 40 0 DJABHN Clc1ccc(Oc2ccccc2OCCN2CCCC2)cc1 ZINC000003610760 563680855 /nfs/dbraw/zinc/68/08/55/563680855.db2.gz GETBMRRTXZOLKS-UHFFFAOYSA-N 0 3 317.816 4.607 40 0 DJABHN Fc1cccc(-c2nc3cc(CN4CCCCC4)ccc3o2)c1 ZINC000216841619 563711507 /nfs/dbraw/zinc/71/15/07/563711507.db2.gz GGPWNNBFAFBGAW-UHFFFAOYSA-N 0 3 310.372 4.620 40 0 DJABHN c1csc(-c2ccc3c([C@@H]4CCCN4C4CCC4)ncn3c2)c1 ZINC000306125221 231084422 /nfs/dbraw/zinc/08/44/22/231084422.db2.gz CJUJYXZRUANZSQ-KRWDZBQOSA-N 0 3 323.465 4.752 40 0 DJABHN Cc1cc(-c2ccc(CNC(C)(C)C)o2)ccc1Br ZINC000020875731 182251417 /nfs/dbraw/zinc/25/14/17/182251417.db2.gz XSEAINWRGUGJLH-UHFFFAOYSA-N 0 3 322.246 4.906 40 0 DJABHN Cc1cc(Br)ccc1-c1ccc(CNC(C)(C)C)o1 ZINC000020875871 182251585 /nfs/dbraw/zinc/25/15/85/182251585.db2.gz UGGYLVXVSIJBOP-UHFFFAOYSA-N 0 3 322.246 4.906 40 0 DJABHN Fc1ccc(CCNCc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000022076495 182308387 /nfs/dbraw/zinc/30/83/87/182308387.db2.gz VRYKXPUCTZEFEP-UHFFFAOYSA-N 0 3 313.347 4.557 40 0 DJABHN Cc1cc(SCc2ccccc2)ncc1[C@@H](N)c1ccccc1 ZINC000072223459 257123093 /nfs/dbraw/zinc/12/30/93/257123093.db2.gz JEQWHOJUKMQEPL-FQEVSTJZSA-N 0 3 320.461 4.730 40 0 DJABHN CC(C)CN1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216724 257125220 /nfs/dbraw/zinc/12/52/20/257125220.db2.gz LMBNNZMVEKFEIJ-LJQANCHMSA-N 0 3 315.505 4.645 40 0 DJABHN CCCCN1CCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214023 257125852 /nfs/dbraw/zinc/12/58/52/257125852.db2.gz DZCHERDJVHWBPM-GOSISDBHSA-N 0 3 301.478 4.763 40 0 DJABHN c1ccc(CN2CCCC[C@@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213924 257126577 /nfs/dbraw/zinc/12/65/77/257126577.db2.gz GBMXVOBFANBLLC-HXUWFJFHSA-N 0 3 321.468 4.773 40 0 DJABHN CC(C)N1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212100 257127208 /nfs/dbraw/zinc/12/72/08/257127208.db2.gz MIXQLRAQWCDJJG-IBGZPJMESA-N 0 3 310.441 4.596 40 0 DJABHN CCCNc1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072213161 257127296 /nfs/dbraw/zinc/12/72/96/257127296.db2.gz PIKDSEKFDGLOJQ-LJQANCHMSA-N 0 3 309.457 4.631 40 0 DJABHN CC[C@@H](C)Nc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072213485 257127453 /nfs/dbraw/zinc/12/74/53/257127453.db2.gz OCNHBINLNOCLPC-VQIMIIECSA-N 0 3 309.457 4.629 40 0 DJABHN CC(C)N(C(C)C)P1N(C(C)(C)C)N=NN1C(C)(C)C ZINC000001584737 563286174 /nfs/dbraw/zinc/28/61/74/563286174.db2.gz GVDKKBKHACHEST-UHFFFAOYSA-N 0 3 301.419 4.829 40 0 DJABHN CC[C@@H](C)NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008325931 563345843 /nfs/dbraw/zinc/34/58/43/563345843.db2.gz DDBWFJYFAFRTFJ-CYBMUJFWSA-N 0 3 321.823 4.946 40 0 DJABHN Cc1ccc(Oc2ccccc2OC[C@H]2CCCN(C)C2)cc1 ZINC000585266212 563537102 /nfs/dbraw/zinc/53/71/02/563537102.db2.gz OEVWRWVZZXLKCF-KRWDZBQOSA-N 0 3 311.425 4.508 40 0 DJABHN CN1CC=C(/C=C/c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000005002429 563623664 /nfs/dbraw/zinc/62/36/64/563623664.db2.gz BCEFSJNCRSCTJL-VOTSOKGWSA-N 0 3 322.433 4.831 40 0 DJABHN CC(C)CNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000006883562 563639293 /nfs/dbraw/zinc/63/92/93/563639293.db2.gz IFIRQJPTDQAZMW-UHFFFAOYSA-N 0 3 303.833 4.665 40 0 DJABHN Clc1ccccc1-c1nc2cc(CN3CCCC3)ccc2o1 ZINC000216798832 563852253 /nfs/dbraw/zinc/85/22/53/563852253.db2.gz RLUBMQYFHUMNMW-UHFFFAOYSA-N 0 3 312.800 4.744 40 0 DJABHN CCC[C@@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C ZINC000003997924 181060232 /nfs/dbraw/zinc/06/02/32/181060232.db2.gz LNIGRARLURFSQQ-LRGNLBRXSA-N 0 3 309.453 4.630 40 0 DJABHN Cc1cc2cc(C)c(SCCN3CCCCC3)nc2cc1C ZINC000004936996 181175569 /nfs/dbraw/zinc/17/55/69/181175569.db2.gz NBBZFMPKQXLXHQ-UHFFFAOYSA-N 0 3 314.498 4.738 40 0 DJABHN C[C@@H](CN1CCCCC1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000006487191 181344793 /nfs/dbraw/zinc/34/47/93/181344793.db2.gz GRJHDBSJZUMLJT-KRWDZBQOSA-N 0 3 307.437 4.658 40 0 DJABHN Clc1ccc(OCc2ccccc2Cl)c(CNC2CC2)c1 ZINC000016449935 182045121 /nfs/dbraw/zinc/04/51/21/182045121.db2.gz OWBZMLWNLDDOEK-UHFFFAOYSA-N 0 3 322.235 4.824 40 0 DJABHN Cc1cc(SCc2ccccc2)ncc1[C@H](N)c1ccccc1 ZINC000072223458 257123183 /nfs/dbraw/zinc/12/31/83/257123183.db2.gz JEQWHOJUKMQEPL-HXUWFJFHSA-N 0 3 320.461 4.730 40 0 DJABHN Cc1cc([C@H](N)c2ccccc2)cnc1Sc1ccccc1 ZINC000072222154 257123878 /nfs/dbraw/zinc/12/38/78/257123878.db2.gz AUATVBVYXHRNRR-GOSISDBHSA-N 0 3 306.434 4.589 40 0 DJABHN CCCNc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072213160 257126802 /nfs/dbraw/zinc/12/68/02/257126802.db2.gz PIKDSEKFDGLOJQ-IBGZPJMESA-N 0 3 309.457 4.631 40 0 DJABHN CC[C@H](C)Nc1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072213374 257127140 /nfs/dbraw/zinc/12/71/40/257127140.db2.gz RKAGPTYFLJXVLF-QFBILLFUSA-N 0 3 309.457 4.629 40 0 DJABHN CCCN1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212037 257127167 /nfs/dbraw/zinc/12/71/67/257127167.db2.gz NMYJANSPRDCGBI-LJQANCHMSA-N 0 3 310.441 4.598 40 0 DJABHN CCCNc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072213221 257127198 /nfs/dbraw/zinc/12/71/98/257127198.db2.gz GONIVZZSSPJESB-LJQANCHMSA-N 0 3 309.457 4.631 40 0 DJABHN CN(C)CC[C@@H](Oc1cccc2ccccc21)c1cccs1 ZINC000021985981 337106984 /nfs/dbraw/zinc/10/69/84/337106984.db2.gz JFTURWWGPMTABQ-GOSISDBHSA-N 0 3 311.450 4.973 40 0 DJABHN CN(C)CCSc1cc(-c2ccccc2)c2ccccc2n1 ZINC000001613046 563287929 /nfs/dbraw/zinc/28/79/29/563287929.db2.gz LAZZHULLLYZHHU-UHFFFAOYSA-N 0 3 308.450 4.556 40 0 DJABHN C[C@H](CN1CCCCC1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000001754430 563295358 /nfs/dbraw/zinc/29/53/58/563295358.db2.gz GRJHDBSJZUMLJT-QGZVFWFLSA-N 0 3 307.437 4.658 40 0 DJABHN COc1ccc(OC)c(Nc2cc(C)nc3ccc(C)cc32)c1 ZINC000000303329 563607642 /nfs/dbraw/zinc/60/76/42/563607642.db2.gz JQWSTJBTMKYCEO-UHFFFAOYSA-N 0 3 308.381 4.612 40 0 DJABHN Cc1ccc(CNCc2ccc(OCc3cccs3)cc2)cc1 ZINC000007538208 563640521 /nfs/dbraw/zinc/64/05/21/563640521.db2.gz MWZWPJXEKYHILA-UHFFFAOYSA-N 0 3 323.461 4.925 40 0 DJABHN CCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008227228 563641749 /nfs/dbraw/zinc/64/17/49/563641749.db2.gz OUQBBUOQNLIWOI-UHFFFAOYSA-N 0 3 310.224 4.682 40 0 DJABHN Fc1ccccc1-c1nc2cc(CN3CCCCC3)ccc2o1 ZINC000216789983 563851994 /nfs/dbraw/zinc/85/19/94/563851994.db2.gz RTWBTVVZJHNGHT-UHFFFAOYSA-N 0 3 310.372 4.620 40 0 DJABHN CN1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072348563 191127514 /nfs/dbraw/zinc/12/75/14/191127514.db2.gz QMZFULKHSQHCKF-AWEZNQCLSA-N 0 3 320.358 4.577 40 0 DJABHN CCC[C@@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C ZINC000003997920 181060783 /nfs/dbraw/zinc/06/07/83/181060783.db2.gz LNIGRARLURFSQQ-NASSWSRMSA-N 0 3 309.453 4.630 40 0 DJABHN Fc1ccc(COc2cccc(CNCc3ccccc3)c2)cc1 ZINC000016480131 182046570 /nfs/dbraw/zinc/04/65/70/182046570.db2.gz BGNQRAQMQKZMES-UHFFFAOYSA-N 0 3 321.395 4.695 40 0 DJABHN c1ccc(CN2CCCC[C@H]2c2cnc3ccccc3c2)cc1 ZINC000072219592 257124304 /nfs/dbraw/zinc/12/43/04/257124304.db2.gz UUFDQBQRTFCNQB-NRFANRHFSA-N 0 3 302.421 4.962 40 0 DJABHN CCCCN1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212084 257127045 /nfs/dbraw/zinc/12/70/45/257127045.db2.gz HPJUUFNRFNDGMV-LJQANCHMSA-N 0 3 310.441 4.598 40 0 DJABHN CC(C)N(c1ccc([C@H]2CCCCN2C(C)C)cn1)C(C)C ZINC000072212976 257127195 /nfs/dbraw/zinc/12/71/95/257127195.db2.gz UBVJPDBCBUIOPP-GOSISDBHSA-N 0 3 303.494 4.640 40 0 DJABHN CCN(CC)CCC(=O)c1ccc(Oc2ccc(C)cc2)cc1 ZINC000001649606 563289432 /nfs/dbraw/zinc/28/94/32/563289432.db2.gz DGQPUUJVDLLPGN-UHFFFAOYSA-N 0 3 311.425 4.702 40 0 DJABHN CC(C)C[C@H](C(=O)SC[C@@H](C)N1CCCC1)c1ccccc1 ZINC000001706429 563292759 /nfs/dbraw/zinc/29/27/59/563292759.db2.gz AGAUFAOPIBCMNO-AEFFLSMTSA-N 0 3 319.514 4.560 40 0 DJABHN CC[C@H](C)NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008326691 563345939 /nfs/dbraw/zinc/34/59/39/563345939.db2.gz DDBWFJYFAFRTFJ-ZDUSSCGKSA-N 0 3 321.823 4.946 40 0 DJABHN Cc1ccc(Oc2ccccc2OC[C@@H]2CCCN(C)C2)cc1 ZINC000585266215 563537387 /nfs/dbraw/zinc/53/73/87/563537387.db2.gz OEVWRWVZZXLKCF-QGZVFWFLSA-N 0 3 311.425 4.508 40 0 DJABHN CCCCCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007261057 563639940 /nfs/dbraw/zinc/63/99/40/563639940.db2.gz IDVCBCYIKWMZOL-OAHLLOKOSA-N 0 3 301.430 4.670 40 0 DJABHN Cc1[nH]c2ccccc2c1C1=CCN(Cc2ccccc2)CC1 ZINC000004203942 181084616 /nfs/dbraw/zinc/08/46/16/181084616.db2.gz OAYPLJXZSDIZBJ-UHFFFAOYSA-N 0 3 302.421 4.766 40 0 DJABHN CCC(CC)CC1(C(=O)OCCN(CC)CC)CCCCC1 ZINC000004896169 181169342 /nfs/dbraw/zinc/16/93/42/181169342.db2.gz VDBXOGGKDXWKAX-UHFFFAOYSA-N 0 3 311.510 4.648 40 0 DJABHN N=C1NC(c2ccc(Cl)cc2)=C[C@H](c2ccc(F)cc2)S1 ZINC000005945051 181299471 /nfs/dbraw/zinc/29/94/71/181299471.db2.gz LLDYQVNFVDGWMZ-OAHLLOKOSA-N 0 3 318.804 4.832 40 0 DJABHN CCOc1c(Cl)cc(Cl)cc1CNC1CCCCC1 ZINC000008253411 181539971 /nfs/dbraw/zinc/53/99/71/181539971.db2.gz RMMLHBRDTAJOPS-UHFFFAOYSA-N 0 3 302.245 4.814 40 0 DJABHN CCCNCc1ccc(-c2ccc(Br)cc2C)o1 ZINC000020875913 182251400 /nfs/dbraw/zinc/25/14/00/182251400.db2.gz MPBUQZXFTTWJBR-UHFFFAOYSA-N 0 3 308.219 4.517 40 0 DJABHN CCOc1ccc2nc(C)cc(Nc3ccc(C(C)=O)cc3)c2c1 ZINC000041127711 183169580 /nfs/dbraw/zinc/16/95/80/183169580.db2.gz MOFRQHVSXMOBCA-UHFFFAOYSA-N 0 3 320.392 4.888 40 0 DJABHN CCCCN1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216727 257125151 /nfs/dbraw/zinc/12/51/51/257125151.db2.gz PYSHRBXSHUHSMA-IBGZPJMESA-N 0 3 315.505 4.789 40 0 DJABHN CC(C)N1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214218 257125834 /nfs/dbraw/zinc/12/58/34/257125834.db2.gz XOGPZDBOIHZAGC-LJQANCHMSA-N 0 3 309.457 4.785 40 0 DJABHN c1ccc(CN2CCC[C@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213948 257126129 /nfs/dbraw/zinc/12/61/29/257126129.db2.gz VNCZLQMHXZBHJV-FQEVSTJZSA-N 0 3 321.468 4.773 40 0 DJABHN CCCN1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214036 257126154 /nfs/dbraw/zinc/12/61/54/257126154.db2.gz SXXGACPQVOKZAY-GOSISDBHSA-N 0 3 301.478 4.763 40 0 DJABHN CCCCN1CCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214264 257126391 /nfs/dbraw/zinc/12/63/91/257126391.db2.gz JQRXQJAUCYYRMI-IBGZPJMESA-N 0 3 309.457 4.787 40 0 DJABHN CCCN1CCCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212974 257126836 /nfs/dbraw/zinc/12/68/36/257126836.db2.gz XGNDEQDBUGGSQS-GOSISDBHSA-N 0 3 303.494 4.642 40 0 DJABHN CCCN1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212975 257126852 /nfs/dbraw/zinc/12/68/52/257126852.db2.gz XGNDEQDBUGGSQS-SFHVURJKSA-N 0 3 303.494 4.642 40 0 DJABHN CC[C@@H](C)Nc1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072213373 257126990 /nfs/dbraw/zinc/12/69/90/257126990.db2.gz RKAGPTYFLJXVLF-VQIMIIECSA-N 0 3 309.457 4.629 40 0 DJABHN CC(C)N(c1ccc([C@@H]2CCCCN2C(C)C)cn1)C(C)C ZINC000072212977 257127176 /nfs/dbraw/zinc/12/71/76/257127176.db2.gz UBVJPDBCBUIOPP-SFHVURJKSA-N 0 3 303.494 4.640 40 0 DJABHN CC[C@H](C)Nc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072213484 257127249 /nfs/dbraw/zinc/12/72/49/257127249.db2.gz OCNHBINLNOCLPC-LPHOPBHVSA-N 0 3 309.457 4.629 40 0 DJABHN CC(C)C[C@@H](C(=O)SC[C@@H](C)N1CCCC1)c1ccccc1 ZINC000001706430 563292734 /nfs/dbraw/zinc/29/27/34/563292734.db2.gz AGAUFAOPIBCMNO-SJLPKXTDSA-N 0 3 319.514 4.560 40 0 DJABHN CN(CCC(=O)c1cccc2ccccc21)Cc1ccccc1 ZINC000001724566 563293965 /nfs/dbraw/zinc/29/39/65/563293965.db2.gz WXQVVIROGYHAPA-UHFFFAOYSA-N 0 3 303.405 4.545 40 0 DJABHN CC(C)(C)NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000006882527 563639326 /nfs/dbraw/zinc/63/93/26/563639326.db2.gz IYPAKWPYPOPKBM-UHFFFAOYSA-N 0 3 321.823 4.946 40 0 DJABHN CC(C)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257229285 563790687 /nfs/dbraw/zinc/79/06/87/563790687.db2.gz FXMNHDMCNNCXCZ-HNNXBMFYSA-N 0 3 318.848 4.507 40 0 DJABHN CC1CCN(Cc2ccc3oc(-c4ccccc4F)nc3c2)CC1 ZINC000216790421 563852197 /nfs/dbraw/zinc/85/21/97/563852197.db2.gz YOKJDPCDOOYEQF-UHFFFAOYSA-N 0 3 324.399 4.866 40 0 DJABHN Cc1ccc(CNCc2cccc(OCc3ccccc3)c2)cc1 ZINC000007537890 568412427 /nfs/dbraw/zinc/41/24/27/568412427.db2.gz CRYDAGSLOTYFCM-UHFFFAOYSA-N 0 3 317.432 4.864 40 0 DJABHN CCNCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000020158613 182194223 /nfs/dbraw/zinc/19/42/23/182194223.db2.gz KSDZPTDKBFUJFI-UHFFFAOYSA-N 0 3 303.711 4.728 40 0 DJABHN CCCCNCc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000020875752 182251286 /nfs/dbraw/zinc/25/12/86/182251286.db2.gz RBNLTLVGKZBHOW-UHFFFAOYSA-N 0 3 322.246 4.907 40 0 DJABHN Fc1ccc(-c2ccc(CNCCc3ccccc3F)o2)cc1 ZINC000022076493 182308610 /nfs/dbraw/zinc/30/86/10/182308610.db2.gz VLEOBMAKCMNOCS-UHFFFAOYSA-N 0 3 313.347 4.557 40 0 DJABHN Cc1cc([C@@H](N)c2ccccc2)cnc1SC1CCCCC1 ZINC000072222803 257123096 /nfs/dbraw/zinc/12/30/96/257123096.db2.gz BNVTWKDERILEMB-SFHVURJKSA-N 0 3 312.482 4.863 40 0 DJABHN Cc1cc([C@@H](N)c2ccccc2)cnc1SCc1ccccc1 ZINC000072222420 257123618 /nfs/dbraw/zinc/12/36/18/257123618.db2.gz KYFYWDNFASPNKE-IBGZPJMESA-N 0 3 320.461 4.730 40 0 DJABHN CCCCNc1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072213587 257126430 /nfs/dbraw/zinc/12/64/30/257126430.db2.gz PGBTZSCIOQQIMK-IBGZPJMESA-N 0 3 309.457 4.631 40 0 DJABHN CC(C)CNc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072213280 257126487 /nfs/dbraw/zinc/12/64/87/257126487.db2.gz PFFJHTDXPHGYJD-FQEVSTJZSA-N 0 3 323.484 4.877 40 0 DJABHN CC(C)N1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214038 257126651 /nfs/dbraw/zinc/12/66/51/257126651.db2.gz ZFSGQXISUNWJMY-GOSISDBHSA-N 0 3 301.478 4.762 40 0 DJABHN CC(C)CN1CCCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213038 257127180 /nfs/dbraw/zinc/12/71/80/257127180.db2.gz YPQKJODGFRVRMD-LJQANCHMSA-N 0 3 317.521 4.888 40 0 DJABHN CC(C)CN1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212042 257127219 /nfs/dbraw/zinc/12/72/19/257127219.db2.gz BDVWXZQRPUYUMR-FQEVSTJZSA-N 0 3 324.468 4.844 40 0 DJABHN CCCCN1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212043 257127281 /nfs/dbraw/zinc/12/72/81/257127281.db2.gz IAIMRUZLPZROGM-HXUWFJFHSA-N 0 3 324.468 4.988 40 0 DJABHN CCN1CCC[C@@H](N2c3ccccc3Sc3ccccc32)C1 ZINC000001673169 563290763 /nfs/dbraw/zinc/29/07/63/563290763.db2.gz IOIRMOPBZLQITN-OAHLLOKOSA-N 0 3 310.466 4.774 40 0 DJABHN Clc1cccc(-c2nc3cc(CN4CCCC4)ccc3o2)c1 ZINC000216839171 563856615 /nfs/dbraw/zinc/85/66/15/563856615.db2.gz CRWLADUNLMUHGN-UHFFFAOYSA-N 0 3 312.800 4.744 40 0 DJABHN Cc1ccc(CN2CC=C(c3nc4ccccc4s3)CC2)cc1 ZINC000226251173 563913388 /nfs/dbraw/zinc/91/33/88/563913388.db2.gz QGQAPECIDOCHGA-UHFFFAOYSA-N 0 3 320.461 4.894 40 0 DJABHN CCCCCCC1(C(=O)OCCN(CC)CC)CCCCC1 ZINC000004896005 181169333 /nfs/dbraw/zinc/16/93/33/181169333.db2.gz ZXTKENQHBPGIIC-UHFFFAOYSA-N 0 3 311.510 4.792 40 0 DJABHN CCOP(OCC)/C(=C/Br)c1ccccc1 ZINC000005462667 181246358 /nfs/dbraw/zinc/24/63/58/181246358.db2.gz FPINHVDRCNQFFC-ZRDIBKRKSA-N 0 3 303.136 4.765 40 0 DJABHN CCCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007261659 181450282 /nfs/dbraw/zinc/45/02/82/181450282.db2.gz ZPCAPJGAUOLLLQ-UHFFFAOYSA-N 0 3 321.823 4.948 40 0 DJABHN Fc1ccccc1COc1ccc2ccccc2c1CNC1CC1 ZINC000016525845 182048052 /nfs/dbraw/zinc/04/80/52/182048052.db2.gz QIRZMGFKPYTEBX-UHFFFAOYSA-N 0 3 321.395 4.810 40 0 DJABHN Cc1cc([C@H](N)c2ccccc2)cnc1SCc1ccccc1 ZINC000072222419 257123749 /nfs/dbraw/zinc/12/37/49/257123749.db2.gz KYFYWDNFASPNKE-LJQANCHMSA-N 0 3 320.461 4.730 40 0 DJABHN Cc1cc([C@@H](N)c2ccccc2)cnc1Sc1ccccc1 ZINC000072222155 257124211 /nfs/dbraw/zinc/12/42/11/257124211.db2.gz AUATVBVYXHRNRR-SFHVURJKSA-N 0 3 306.434 4.589 40 0 DJABHN CCCCN1CCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213022 257126940 /nfs/dbraw/zinc/12/69/40/257126940.db2.gz AGJAHDZGQXUETK-SFHVURJKSA-N 0 3 303.494 4.642 40 0 DJABHN CCN(CC)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072212923 257127013 /nfs/dbraw/zinc/12/70/13/257127013.db2.gz CFJDNAUPRDGPAK-HXUWFJFHSA-N 0 3 323.484 4.655 40 0 DJABHN CC(C)CN1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212041 257127134 /nfs/dbraw/zinc/12/71/34/257127134.db2.gz BDVWXZQRPUYUMR-HXUWFJFHSA-N 0 3 324.468 4.844 40 0 DJABHN CC(C)N(c1ncccc1[C@@H]1CCCCN1C(C)C)C(C)C ZINC000072213037 257127201 /nfs/dbraw/zinc/12/72/01/257127201.db2.gz WUSFYAOFSMYEIN-SFHVURJKSA-N 0 3 303.494 4.640 40 0 DJABHN CCCN1CCCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213034 257127430 /nfs/dbraw/zinc/12/74/30/257127430.db2.gz HPELRZRXBXXSBP-GOSISDBHSA-N 0 3 303.494 4.642 40 0 DJABHN O=C(c1ccccc1)[C@@H]1CN(C2CCCCC2)[C@H]1c1ccccc1 ZINC000001660069 563289110 /nfs/dbraw/zinc/28/91/10/563289110.db2.gz ITKHXTZLDBGPSP-RTWAWAEBSA-N 0 3 319.448 4.875 40 0 DJABHN CCCCCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000007261319 563337398 /nfs/dbraw/zinc/33/73/98/563337398.db2.gz GTFUDVVKROTGQC-UHFFFAOYSA-N 0 3 307.821 4.888 40 0 DJABHN Clc1cc(Cl)c(OCNC2CCCCC2)c(Cl)c1 ZINC000031637877 563440699 /nfs/dbraw/zinc/44/06/99/563440699.db2.gz SXQDOXWMSOZBEA-UHFFFAOYSA-N 0 3 308.636 4.905 40 0 DJABHN Cc1ccc(Oc2ccccc2OCCN2CCCCC2)cc1 ZINC000585265204 563537198 /nfs/dbraw/zinc/53/71/98/563537198.db2.gz ISQNMVFUIKHMEL-UHFFFAOYSA-N 0 3 311.425 4.652 40 0 DJABHN Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C ZINC000010338760 563648634 /nfs/dbraw/zinc/64/86/34/563648634.db2.gz AAZIYFAWYZUIGB-UHFFFAOYSA-N 0 3 322.452 4.542 40 0 DJABHN CC1CCN(Cc2ccc3oc(-c4cccc(F)c4)nc3c2)CC1 ZINC000216841577 563711451 /nfs/dbraw/zinc/71/14/51/563711451.db2.gz XJLXDJMSBSEDCH-UHFFFAOYSA-N 0 3 324.399 4.866 40 0 DJABHN c1csc(COc2ccc(CNCc3ccccc3)cc2)c1 ZINC000022073935 563714708 /nfs/dbraw/zinc/71/47/08/563714708.db2.gz FIOWDRGPLMDLBG-UHFFFAOYSA-N 0 3 309.434 4.617 40 0 DJABHN CC(C)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257229286 563791044 /nfs/dbraw/zinc/79/10/44/563791044.db2.gz FXMNHDMCNNCXCZ-OAHLLOKOSA-N 0 3 318.848 4.507 40 0 DJABHN CCOc1ccc2ccccc2c1CNCc1ccc(OC)cc1 ZINC000007538554 568412371 /nfs/dbraw/zinc/41/23/71/568412371.db2.gz QHXIWSURAKWJHG-UHFFFAOYSA-N 0 3 321.420 4.537 40 0 DJABHN CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O ZINC000004889102 181168907 /nfs/dbraw/zinc/16/89/07/181168907.db2.gz BRKDPSAOJQTDPB-UWHLTILDSA-N 0 3 309.453 4.630 40 0 DJABHN CC[C@@H](C)NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000008325938 181548234 /nfs/dbraw/zinc/54/82/34/181548234.db2.gz POPBEZWOBXSIAY-CQSZACIVSA-N 0 3 303.833 4.807 40 0 DJABHN Fc1ccccc1CCNCc1ccc(-c2ccccc2F)o1 ZINC000022076481 182308168 /nfs/dbraw/zinc/30/81/68/182308168.db2.gz GKWZSSZGPHEQNF-UHFFFAOYSA-N 0 3 313.347 4.557 40 0 DJABHN CCCN1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214216 257126301 /nfs/dbraw/zinc/12/63/01/257126301.db2.gz DDKBPYQOFPMSQN-LJQANCHMSA-N 0 3 309.457 4.787 40 0 DJABHN CC(C)CNc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072213341 257126559 /nfs/dbraw/zinc/12/65/59/257126559.db2.gz DVJXBBFHWMWTDK-HXUWFJFHSA-N 0 3 323.484 4.877 40 0 DJABHN CC(C)N1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214279 257126610 /nfs/dbraw/zinc/12/66/10/257126610.db2.gz OPQVQKCEWMQBBU-IBGZPJMESA-N 0 3 309.457 4.785 40 0 DJABHN CCCNc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072213220 257126864 /nfs/dbraw/zinc/12/68/64/257126864.db2.gz GONIVZZSSPJESB-IBGZPJMESA-N 0 3 309.457 4.631 40 0 DJABHN CCCN1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212097 257127253 /nfs/dbraw/zinc/12/72/53/257127253.db2.gz GNOUZDOVYBBOKB-LJQANCHMSA-N 0 3 310.441 4.598 40 0 DJABHN CC(C)N1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212099 257127563 /nfs/dbraw/zinc/12/75/63/257127563.db2.gz MIXQLRAQWCDJJG-LJQANCHMSA-N 0 3 310.441 4.596 40 0 DJABHN c1ccc2c(c1)nc1c(c2Nc2ccc3c(c2)OCO3)CCCC1 ZINC000000429747 563252850 /nfs/dbraw/zinc/25/28/50/563252850.db2.gz PFMXOOFAOJURIG-UHFFFAOYSA-N 0 3 318.376 4.586 40 0 DJABHN O[C@H](c1ccccc1)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000001594044 563287016 /nfs/dbraw/zinc/28/70/16/563287016.db2.gz XJMZJRWEOUFEJY-RTBURBONSA-N 0 3 315.844 4.601 40 0 DJABHN CC(C)C[C@@H](C(=O)SC[C@H](C)N1CCCC1)c1ccccc1 ZINC000001706432 563292779 /nfs/dbraw/zinc/29/27/79/563292779.db2.gz AGAUFAOPIBCMNO-FUHWJXTLSA-N 0 3 319.514 4.560 40 0 DJABHN CCOc1cccc(CN[C@H](C)CC)c1OCc1ccccc1 ZINC000008326031 563345820 /nfs/dbraw/zinc/34/58/20/563345820.db2.gz QAXQJYJQEFHHPL-MRXNPFEDSA-N 0 3 313.441 4.552 40 0 DJABHN c1ccc(CC2CCN(C3=Cc4ccccc4CC3)CC2)cc1 ZINC000055145715 563472033 /nfs/dbraw/zinc/47/20/33/563472033.db2.gz PWUAEEZOOSJBOR-UHFFFAOYSA-N 0 3 303.449 4.928 40 0 DJABHN Cc1ccc2c(c1)C1(CC2)CCN(Cc2ccc(F)cc2)CC1 ZINC000096079387 563533593 /nfs/dbraw/zinc/53/35/93/563533593.db2.gz YFRWMVDIALVNIR-UHFFFAOYSA-N 0 3 309.428 4.614 40 0 DJABHN CN(CC(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000000411650 563608149 /nfs/dbraw/zinc/60/81/49/563608149.db2.gz LIGHURGZJNKAMV-UHFFFAOYSA-N 0 3 322.452 4.557 40 0 DJABHN CCCN1CC=C(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000226250006 563913347 /nfs/dbraw/zinc/91/33/47/563913347.db2.gz IGMDDRFURYXLBO-UHFFFAOYSA-N 0 3 311.212 4.634 40 0 DJABHN Cc1cc2nc(C3=CCN(Cc4ccccc4)CC3)oc2cc1C ZINC000226250415 563913358 /nfs/dbraw/zinc/91/33/58/563913358.db2.gz OQTYAEGKMGYAJI-UHFFFAOYSA-N 0 3 318.420 4.734 40 0 DJABHN c1ccc(CN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000004966352 181180423 /nfs/dbraw/zinc/18/04/23/181180423.db2.gz ILAYYFBNFHRUEW-UHFFFAOYSA-N 0 3 308.450 4.676 40 0 DJABHN CC(C)(C)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000006882566 181401322 /nfs/dbraw/zinc/40/13/22/181401322.db2.gz PEVLKDQCEIAHJC-UHFFFAOYSA-N 0 3 308.219 4.597 40 0 DJABHN CCCCNCc1cccc(OCC)c1OCc1ccccc1 ZINC000007261735 181450200 /nfs/dbraw/zinc/45/02/00/181450200.db2.gz OUKOFDMEXWJTPP-UHFFFAOYSA-N 0 3 313.441 4.554 40 0 DJABHN CC(C)(C)C1=C[C@@H](c2ccccc2)[C@H]2CCCC[C@@]23OCCN13 ZINC000013511884 181857569 /nfs/dbraw/zinc/85/75/69/181857569.db2.gz PKMKJGOXZVPWQD-WAOWUJCRSA-N 0 3 311.469 4.933 40 0 DJABHN Clc1ccc(COc2ccccc2CNC2CC2)c(Cl)c1 ZINC000016449609 182045102 /nfs/dbraw/zinc/04/51/02/182045102.db2.gz KXDVLAAIVDDMAV-UHFFFAOYSA-N 0 3 322.235 4.824 40 0 DJABHN Fc1ccccc1COc1cccc(CNCc2ccccc2)c1 ZINC000016480143 182046351 /nfs/dbraw/zinc/04/63/51/182046351.db2.gz OEDITGPJDVSBHG-UHFFFAOYSA-N 0 3 321.395 4.695 40 0 DJABHN Fc1ccc(COc2ccc3ccccc3c2CNC2CC2)cc1 ZINC000016525839 182048317 /nfs/dbraw/zinc/04/83/17/182048317.db2.gz ICZUXNBWRWISHN-UHFFFAOYSA-N 0 3 321.395 4.810 40 0 DJABHN Cc1nc(Sc2ccccc2)ccc1[C@@H](N)c1ccccc1 ZINC000072224234 257123064 /nfs/dbraw/zinc/12/30/64/257123064.db2.gz MXGXWWDPRICGFE-IBGZPJMESA-N 0 3 306.434 4.589 40 0 DJABHN Cc1nc(SC2CCCCC2)ccc1[C@H](N)c1ccccc1 ZINC000072224888 257123630 /nfs/dbraw/zinc/12/36/30/257123630.db2.gz UQXGYGUKTJVING-LJQANCHMSA-N 0 3 312.482 4.863 40 0 DJABHN CCCN1CCCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214037 257125845 /nfs/dbraw/zinc/12/58/45/257125845.db2.gz SXXGACPQVOKZAY-SFHVURJKSA-N 0 3 301.478 4.763 40 0 DJABHN CCCCN1CCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214263 257126265 /nfs/dbraw/zinc/12/62/65/257126265.db2.gz JQRXQJAUCYYRMI-LJQANCHMSA-N 0 3 309.457 4.787 40 0 DJABHN CCCCNc1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072213588 257126462 /nfs/dbraw/zinc/12/64/62/257126462.db2.gz PGBTZSCIOQQIMK-LJQANCHMSA-N 0 3 309.457 4.631 40 0 DJABHN c1ccc(CN2CCCC[C@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213925 257126511 /nfs/dbraw/zinc/12/65/11/257126511.db2.gz GBMXVOBFANBLLC-FQEVSTJZSA-N 0 3 321.468 4.773 40 0 DJABHN CC[C@H](C)Nc1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072213372 257126925 /nfs/dbraw/zinc/12/69/25/257126925.db2.gz RKAGPTYFLJXVLF-LPHOPBHVSA-N 0 3 309.457 4.629 40 0 DJABHN CC(C)CN1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212102 257127346 /nfs/dbraw/zinc/12/73/46/257127346.db2.gz NYMAHSQWOAFYPD-FQEVSTJZSA-N 0 3 324.468 4.844 40 0 DJABHN CCCN1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212038 257127535 /nfs/dbraw/zinc/12/75/35/257127535.db2.gz NMYJANSPRDCGBI-IBGZPJMESA-N 0 3 310.441 4.598 40 0 DJABHN CCN(CC)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072212862 257127540 /nfs/dbraw/zinc/12/75/40/257127540.db2.gz IZXIHGLBKWNPSF-FQEVSTJZSA-N 0 3 323.484 4.655 40 0 DJABHN O=C(OCCN1CCCCC1)C1(C2CCCCC2)CCCCC1 ZINC000000001297 563211133 /nfs/dbraw/zinc/21/11/33/563211133.db2.gz MNSQDVCVWNXBFQ-UHFFFAOYSA-N 0 3 321.505 4.546 40 0 in-man DJABHN CN(C)CCOc1ccccc1Cc1ccc(Cl)cc1Cl ZINC000001586338 563286141 /nfs/dbraw/zinc/28/61/41/563286141.db2.gz BGGVNTDQDVWNFP-UHFFFAOYSA-N 0 3 324.251 4.525 40 0 DJABHN O=C(C[C@H](NCc1ccccc1)c1ccccc1)c1ccccc1 ZINC000001664746 563290069 /nfs/dbraw/zinc/29/00/69/563290069.db2.gz CMEWSOAICFSPKX-NRFANRHFSA-N 0 3 315.416 4.791 40 0 DJABHN CCc1ccc2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1 ZINC000226250397 563913343 /nfs/dbraw/zinc/91/33/43/563913343.db2.gz XLSJNOGUZXDTDA-UHFFFAOYSA-N 0 3 318.420 4.680 40 0 DJABHN CCCCCCOC(=O)C[C@H](c1ccccc1)N1CCCCC1 ZINC000001569384 180873988 /nfs/dbraw/zinc/87/39/88/180873988.db2.gz WTQQCGXMPQXPMY-LJQANCHMSA-N 0 3 317.473 4.727 40 0 DJABHN O=C(c1ccccc1)[C@@H]1CN(C2CCCCC2)[C@@H]1c1ccccc1 ZINC000005045921 181196251 /nfs/dbraw/zinc/19/62/51/181196251.db2.gz ITKHXTZLDBGPSP-NHCUHLMSSA-N 0 3 319.448 4.875 40 0 DJABHN CC(C)[C@@H](C(=O)CCN1CCCCC1)c1ccc(Cl)cc1 ZINC000005963259 181301608 /nfs/dbraw/zinc/30/16/08/181301608.db2.gz CZUZKESIAYBZFZ-GOSISDBHSA-N 0 3 307.865 4.525 40 0 DJABHN O=C(C[C@@H](NCc1ccccc1)c1ccccc1)c1ccccc1 ZINC000006580075 181355991 /nfs/dbraw/zinc/35/59/91/181355991.db2.gz CMEWSOAICFSPKX-OAQYLSRUSA-N 0 3 315.416 4.791 40 0 DJABHN CCCCCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000007261320 181449736 /nfs/dbraw/zinc/44/97/36/181449736.db2.gz HIWPNZBRJYEOQG-UHFFFAOYSA-N 0 3 322.246 4.989 40 0 DJABHN CCOc1ccc2ccccc2c1CNCc1ccc(F)cc1 ZINC000008325138 181548443 /nfs/dbraw/zinc/54/84/43/181548443.db2.gz LCRACKMGRGTYMV-UHFFFAOYSA-N 0 3 309.384 4.667 40 0 DJABHN Fc1ccc(CNCc2ccc(OCc3ccccc3)cc2)cc1 ZINC000016480430 182046910 /nfs/dbraw/zinc/04/69/10/182046910.db2.gz GQSSEBHBVZCKCW-UHFFFAOYSA-N 0 3 321.395 4.695 40 0 DJABHN CCCNCc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000020875782 182251277 /nfs/dbraw/zinc/25/12/77/182251277.db2.gz MFSYVMQJSNDYNT-UHFFFAOYSA-N 0 3 308.219 4.517 40 0 DJABHN CCOc1c(Cl)cc(Cl)cc1CNCCc1ccccc1 ZINC000022074365 182307459 /nfs/dbraw/zinc/30/74/59/182307459.db2.gz NIPDQCICPAWVKB-UHFFFAOYSA-N 0 3 324.251 4.724 40 0 DJABHN CCC(C)(C)c1ccc(C[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000043573952 183372471 /nfs/dbraw/zinc/37/24/71/183372471.db2.gz MQHLMHIZUIDKOO-RCCFBDPRSA-N 0 3 317.517 4.662 40 0 DJABHN Cc1nc(SCc2ccccc2)ccc1[C@@H](N)c1ccccc1 ZINC000072224501 257123450 /nfs/dbraw/zinc/12/34/50/257123450.db2.gz JBUCYSDXLKHEQX-FQEVSTJZSA-N 0 3 320.461 4.730 40 0 DJABHN CC(C)N1CCCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214039 257126368 /nfs/dbraw/zinc/12/63/68/257126368.db2.gz ZFSGQXISUNWJMY-SFHVURJKSA-N 0 3 301.478 4.762 40 0 DJABHN CC(C)CNc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072213340 257126601 /nfs/dbraw/zinc/12/66/01/257126601.db2.gz DVJXBBFHWMWTDK-FQEVSTJZSA-N 0 3 323.484 4.877 40 0 DJABHN CCCN1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212098 257126818 /nfs/dbraw/zinc/12/68/18/257126818.db2.gz GNOUZDOVYBBOKB-IBGZPJMESA-N 0 3 310.441 4.598 40 0 DJABHN CC(C)N(c1ncccc1[C@H]1CCCCN1C(C)C)C(C)C ZINC000072213036 257127125 /nfs/dbraw/zinc/12/71/25/257127125.db2.gz WUSFYAOFSMYEIN-GOSISDBHSA-N 0 3 303.494 4.640 40 0 DJABHN CCN(CC)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072212922 257127256 /nfs/dbraw/zinc/12/72/56/257127256.db2.gz CFJDNAUPRDGPAK-FQEVSTJZSA-N 0 3 323.484 4.655 40 0 DJABHN CCCCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000007261710 563337410 /nfs/dbraw/zinc/33/74/10/563337410.db2.gz KZGHPYSTVVZNEM-UHFFFAOYSA-N 0 3 308.219 4.599 40 0 DJABHN CCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008227316 563641655 /nfs/dbraw/zinc/64/16/55/563641655.db2.gz ZYHLRBREYNJYID-UHFFFAOYSA-N 0 3 310.224 4.682 40 0 DJABHN CC(C)(C)C1=C[C@@H](c2ccccc2)[C@@H]2CCCC[C@@]23OCCN13 ZINC000013511880 563659857 /nfs/dbraw/zinc/65/98/57/563659857.db2.gz PKMKJGOXZVPWQD-BBTUJRGHSA-N 0 3 311.469 4.933 40 0 DJABHN CN(Cc1c2cccnc2[nH]c1C1CCCC1)Cc1ccccc1 ZINC000072393370 191149328 /nfs/dbraw/zinc/14/93/28/191149328.db2.gz VDFCBXOEQCTDMI-UHFFFAOYSA-N 0 3 319.452 4.853 40 0 DJABHN O=C(c1ccccc1)[C@H]1CN(C2CCCCC2)[C@@H]1c1ccccc1 ZINC000005045922 181195994 /nfs/dbraw/zinc/19/59/94/181195994.db2.gz ITKHXTZLDBGPSP-LEWJYISDSA-N 0 3 319.448 4.875 40 0 DJABHN c1ccc(CNCc2cccc(OCc3ccccc3)c2)cc1 ZINC000016480137 182046567 /nfs/dbraw/zinc/04/65/67/182046567.db2.gz PITGQRKFJHYWAE-UHFFFAOYSA-N 0 3 303.405 4.555 40 0 DJABHN Cc1cc([C@@H]2CCCCCN2Cc2ccnc3ccccc23)on1 ZINC000019120332 182105296 /nfs/dbraw/zinc/10/52/96/182105296.db2.gz PAIQRBOMDQRQJE-IBGZPJMESA-N 0 3 321.424 4.649 40 0 DJABHN CCCCNCc1ccc(-c2ccc(Br)cc2C)o1 ZINC000020875891 182251612 /nfs/dbraw/zinc/25/16/12/182251612.db2.gz YQACAPYGXLXDLP-UHFFFAOYSA-N 0 3 322.246 4.907 40 0 DJABHN Clc1ccc(OCc2ccccc2)c(CNC2CCCC2)c1 ZINC000022074269 182307650 /nfs/dbraw/zinc/30/76/50/182307650.db2.gz PZEWIZWMWVKJDB-UHFFFAOYSA-N 0 3 315.844 4.951 40 0 DJABHN Cc1cc(Sc2ccccc2)ncc1[C@H](N)c1ccccc1 ZINC000072223190 257123144 /nfs/dbraw/zinc/12/31/44/257123144.db2.gz NCCMDLFAVJFGIB-LJQANCHMSA-N 0 3 306.434 4.589 40 0 DJABHN Cc1nc(SC2CCCCC2)ccc1[C@@H](N)c1ccccc1 ZINC000072224889 257123541 /nfs/dbraw/zinc/12/35/41/257123541.db2.gz UQXGYGUKTJVING-IBGZPJMESA-N 0 3 312.482 4.863 40 0 DJABHN CCCN1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214217 257125813 /nfs/dbraw/zinc/12/58/13/257125813.db2.gz DDKBPYQOFPMSQN-IBGZPJMESA-N 0 3 309.457 4.787 40 0 DJABHN c1ccc(CN2CCCC[C@@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213864 257125912 /nfs/dbraw/zinc/12/59/12/257125912.db2.gz WZQOYIJZSBKROL-HXUWFJFHSA-N 0 3 321.468 4.773 40 0 DJABHN CC(C)N1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214219 257125971 /nfs/dbraw/zinc/12/59/71/257125971.db2.gz XOGPZDBOIHZAGC-IBGZPJMESA-N 0 3 309.457 4.785 40 0 DJABHN CC(C)CN1CCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214262 257126597 /nfs/dbraw/zinc/12/65/97/257126597.db2.gz AGGXGJTVCZBURR-IBGZPJMESA-N 0 3 309.457 4.642 40 0 DJABHN CCCCN1CCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212085 257127120 /nfs/dbraw/zinc/12/71/20/257127120.db2.gz HPJUUFNRFNDGMV-IBGZPJMESA-N 0 3 310.441 4.598 40 0 DJABHN CCCCN1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212025 257127426 /nfs/dbraw/zinc/12/74/26/257127426.db2.gz HIDFCUVOYVXBHY-IBGZPJMESA-N 0 3 310.441 4.598 40 0 DJABHN CC(C)N1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212039 257127438 /nfs/dbraw/zinc/12/74/38/257127438.db2.gz IMLQVXMELQTFGT-LJQANCHMSA-N 0 3 310.441 4.596 40 0 DJABHN CCN1CCC[C@H](N2c3ccccc3Sc3ccccc32)C1 ZINC000004365567 563327740 /nfs/dbraw/zinc/32/77/40/563327740.db2.gz IOIRMOPBZLQITN-HNNXBMFYSA-N 0 3 310.466 4.774 40 0 DJABHN CN1CCC[C@H](c2ccccc2)c2[nH]c3ccccc3c2CC1 ZINC000028567783 563432301 /nfs/dbraw/zinc/43/23/01/563432301.db2.gz AEHACZVHKAVVDK-QGZVFWFLSA-N 0 3 304.437 4.568 40 0 DJABHN CCCCCNCc1cccc(OC)c1OCc1ccccc1 ZINC000007261346 563639802 /nfs/dbraw/zinc/63/98/02/563639802.db2.gz XKWAUUYVDINGPF-UHFFFAOYSA-N 0 3 313.441 4.554 40 0 DJABHN Cc1cc2cc(CNCCc3ccccc3)c(Cl)nc2cc1C ZINC000013535444 563840001 /nfs/dbraw/zinc/84/00/01/563840001.db2.gz PDRDGJSUOHOXRD-UHFFFAOYSA-N 0 3 324.855 4.837 40 0 DJABHN CCOc1ccc2ccccc2c1CNCc1ccc(C)cc1 ZINC000007538080 568412389 /nfs/dbraw/zinc/41/23/89/568412389.db2.gz BGIFRUATDSACIR-UHFFFAOYSA-N 0 3 305.421 4.837 40 0 DJABHN COc1ccc(CNCc2ccc(-c3ccccc3)cc2)cc1 ZINC000007538557 568412439 /nfs/dbraw/zinc/41/24/39/568412439.db2.gz PNKYWMJQFOCVPA-UHFFFAOYSA-N 0 3 303.405 4.652 40 0 DJABHN CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O ZINC000004889101 181168393 /nfs/dbraw/zinc/16/83/93/181168393.db2.gz BRKDPSAOJQTDPB-PLACYPQZSA-N 0 3 309.453 4.630 40 0 DJABHN Cc1cc(C)c2nc(Cl)c(CNC3CCCCC3)cc2c1 ZINC000005007954 181189698 /nfs/dbraw/zinc/18/96/98/181189698.db2.gz OCUZSGBGXGKCHE-UHFFFAOYSA-N 0 3 302.849 4.927 40 0 DJABHN Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1CN1CCCCCC1 ZINC000005687132 181272321 /nfs/dbraw/zinc/27/23/21/181272321.db2.gz HPGBEHLMQIRMSG-UHFFFAOYSA-N 0 3 318.848 4.587 40 0 DJABHN N=C1NC(c2ccc(Cl)cc2)=C[C@@H](c2ccc(F)cc2)S1 ZINC000005945032 181299087 /nfs/dbraw/zinc/29/90/87/181299087.db2.gz LLDYQVNFVDGWMZ-HNNXBMFYSA-N 0 3 318.804 4.832 40 0 DJABHN CCCCCCN1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000005951295 181300202 /nfs/dbraw/zinc/30/02/02/181300202.db2.gz WXGKDINBEFIPNV-GOSISDBHSA-N 0 3 316.489 4.595 40 0 DJABHN Clc1ccc(COc2ccc(Cl)cc2CNC2CC2)cc1 ZINC000016401757 182043881 /nfs/dbraw/zinc/04/38/81/182043881.db2.gz IOPGIOUPYUNHCI-UHFFFAOYSA-N 0 3 322.235 4.824 40 0 DJABHN Clc1cccc(CNCCc2c[nH]c3ccccc23)c1Cl ZINC000019984834 182173567 /nfs/dbraw/zinc/17/35/67/182173567.db2.gz YCMFXIDKRCKJHH-UHFFFAOYSA-N 0 3 319.235 4.807 40 0 DJABHN Cc1cc([C@H](N)c2ccccc2)cnc1SC1CCCCC1 ZINC000072222802 257123276 /nfs/dbraw/zinc/12/32/76/257123276.db2.gz BNVTWKDERILEMB-GOSISDBHSA-N 0 3 312.482 4.863 40 0 DJABHN CCCCN1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216726 257124818 /nfs/dbraw/zinc/12/48/18/257124818.db2.gz PYSHRBXSHUHSMA-LJQANCHMSA-N 0 3 315.505 4.789 40 0 DJABHN CC(C)Sc1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072217531 257124867 /nfs/dbraw/zinc/12/48/67/257124867.db2.gz HIGPNYLXXJDMCG-GOSISDBHSA-N 0 3 312.482 4.919 40 0 DJABHN CCCCN1CCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214024 257126636 /nfs/dbraw/zinc/12/66/36/257126636.db2.gz DZCHERDJVHWBPM-SFHVURJKSA-N 0 3 301.478 4.763 40 0 DJABHN CCCCN1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212103 257127466 /nfs/dbraw/zinc/12/74/66/257127466.db2.gz XDMGMICFXGTVOH-HXUWFJFHSA-N 0 3 324.468 4.988 40 0 DJABHN CC(C)CN1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213039 257127484 /nfs/dbraw/zinc/12/74/84/257127484.db2.gz YPQKJODGFRVRMD-IBGZPJMESA-N 0 3 317.521 4.888 40 0 DJABHN O[C@@H](c1ccccc1)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000001594043 563286721 /nfs/dbraw/zinc/28/67/21/563286721.db2.gz XJMZJRWEOUFEJY-MOPGFXCFSA-N 0 3 315.844 4.601 40 0 DJABHN CN(C)[C@@H](CCOc1ccc2ccccc2c1)c1ccccc1 ZINC000011678765 563359024 /nfs/dbraw/zinc/35/90/24/563359024.db2.gz CWLFFSMYYURBLY-NRFANRHFSA-N 0 3 305.421 4.912 40 0 in-man DJABHN Clc1cccc(Oc2ccccc2OCCN2CCCC2)c1 ZINC000585265182 563537264 /nfs/dbraw/zinc/53/72/64/563537264.db2.gz ICRHRZQGJKVVBW-UHFFFAOYSA-N 0 3 317.816 4.607 40 0 DJABHN CC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000006882531 563638937 /nfs/dbraw/zinc/63/89/37/563638937.db2.gz GTADFWLZFTXOBP-UHFFFAOYSA-N 0 3 303.833 4.807 40 0 DJABHN Cc1cc2nc(C3=CCN(Cc4ccccc4)CC3)oc2c(C)c1 ZINC000226250427 563913277 /nfs/dbraw/zinc/91/32/77/563913277.db2.gz VKYJCCZRVOVCGR-UHFFFAOYSA-N 0 3 318.420 4.734 40 0 DJABHN Cc1ccc(CN2CC=C(c3nc4cc(C)ccc4o3)CC2)cc1 ZINC000226251186 563913476 /nfs/dbraw/zinc/91/34/76/563913476.db2.gz OIZOOJNFEBTALT-UHFFFAOYSA-N 0 3 318.420 4.734 40 0 DJABHN CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O ZINC000004889100 181168840 /nfs/dbraw/zinc/16/88/40/181168840.db2.gz BRKDPSAOJQTDPB-XSDIEEQYSA-N 0 3 309.453 4.630 40 0 DJABHN c1ccc(COc2ccc3ccccc3c2CNC2CC2)cc1 ZINC000016480610 182046814 /nfs/dbraw/zinc/04/68/14/182046814.db2.gz ZJAXEGBTDGNZHP-UHFFFAOYSA-N 0 3 303.405 4.671 40 0 DJABHN Cc1cc(SC2CCCCC2)ncc1[C@@H](N)c1ccccc1 ZINC000072223847 257123172 /nfs/dbraw/zinc/12/31/72/257123172.db2.gz HIYDKFIOIIQOIO-IBGZPJMESA-N 0 3 312.482 4.863 40 0 DJABHN Cc1nc(SCc2ccccc2)ccc1[C@H](N)c1ccccc1 ZINC000072224500 257123398 /nfs/dbraw/zinc/12/33/98/257123398.db2.gz JBUCYSDXLKHEQX-HXUWFJFHSA-N 0 3 320.461 4.730 40 0 DJABHN CC(C)CNc1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072213281 257125863 /nfs/dbraw/zinc/12/58/63/257125863.db2.gz PFFJHTDXPHGYJD-HXUWFJFHSA-N 0 3 323.484 4.877 40 0 DJABHN CCCN1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214277 257126353 /nfs/dbraw/zinc/12/63/53/257126353.db2.gz LIMMKBSSWKRSIE-IBGZPJMESA-N 0 3 309.457 4.787 40 0 DJABHN CCCCN1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212104 257127262 /nfs/dbraw/zinc/12/72/62/257127262.db2.gz XDMGMICFXGTVOH-FQEVSTJZSA-N 0 3 324.468 4.988 40 0 DJABHN CC[C@@H](C)Nc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072213483 257127443 /nfs/dbraw/zinc/12/74/43/257127443.db2.gz OCNHBINLNOCLPC-APWZRJJASA-N 0 3 309.457 4.629 40 0 DJABHN CC(C)CN1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212101 257127615 /nfs/dbraw/zinc/12/76/15/257127615.db2.gz NYMAHSQWOAFYPD-HXUWFJFHSA-N 0 3 324.468 4.844 40 0 DJABHN CCOc1cccc(CN[C@@H](C)CC)c1OCc1ccccc1 ZINC000008326781 563346118 /nfs/dbraw/zinc/34/61/18/563346118.db2.gz QAXQJYJQEFHHPL-INIZCTEOSA-N 0 3 313.441 4.552 40 0 DJABHN CCN(Cc1ccccc1)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000031628043 563440353 /nfs/dbraw/zinc/44/03/53/563440353.db2.gz ZIIWILKHOWBKRY-KRWDZBQOSA-N 0 3 324.251 4.549 40 0 DJABHN CCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007262342 563639865 /nfs/dbraw/zinc/63/98/65/563639865.db2.gz BMKRFUGSWXXQAW-UHFFFAOYSA-N 0 3 307.796 4.558 40 0 DJABHN CCN1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000226250053 563913426 /nfs/dbraw/zinc/91/34/26/563913426.db2.gz VDOBZZYIHZPQDD-UHFFFAOYSA-N 0 3 304.393 4.604 40 0 DJABHN