smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164882129 721313442 /nfs/dbraw/zinc/31/34/42/721313442.db2.gz ZLINAQYMWSSNAU-YNEHKIRRSA-N -1 3 428.892 3.421 20 0 IGADHM CC(C)CN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001164657602 719337535 /nfs/dbraw/zinc/33/75/35/719337535.db2.gz UGKHMTUNVMDCCH-UHFFFAOYSA-N -1 3 443.548 3.348 20 0 IGADHM O=C1COC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)CN1c1ccccc1 ZINC001164695769 719836366 /nfs/dbraw/zinc/83/63/66/719836366.db2.gz OLUVOIKGWXFUMH-UHFFFAOYSA-N -1 3 440.903 3.366 20 0 IGADHM Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(=S)[n-]2)n1 ZINC001164766814 721054253 /nfs/dbraw/zinc/05/42/53/721054253.db2.gz FYFUOWMUAWGQCH-QWHCGFSZSA-N -1 3 425.892 3.047 20 0 IGADHM CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)n1 ZINC001164998914 722227078 /nfs/dbraw/zinc/22/70/78/722227078.db2.gz GFQYLSHJANANAB-LLVKDONJSA-N -1 3 430.912 3.178 20 0 IGADHM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCN(c2ccncc2)CC1 ZINC000024087344 563027283 /nfs/dbraw/zinc/02/72/83/563027283.db2.gz CXQAJWJXWIRDIN-UHFFFAOYSA-N -1 3 437.569 3.363 20 0 IGADHM Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000013137997 562985185 /nfs/dbraw/zinc/98/51/85/562985185.db2.gz HSTREBQWEJPDPW-UHFFFAOYSA-N -1 3 429.464 3.446 20 0 IGADHM Cn1ncc2c1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C[C@H]2COc1cccnc1 ZINC001164682255 719598624 /nfs/dbraw/zinc/59/86/24/719598624.db2.gz BGWSCHQTGNSLAR-NSHDSACASA-N -1 3 438.891 3.275 20 0 IGADHM O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@H]21)N1CCCCC1 ZINC001164833851 720501927 /nfs/dbraw/zinc/50/19/27/720501927.db2.gz QRZLSPBCGPDOHB-MJBXVCDLSA-N -1 3 446.951 3.208 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164915362 721802911 /nfs/dbraw/zinc/80/29/11/721802911.db2.gz JAANWXKYRHLDBN-OAHLLOKOSA-N -1 3 448.877 3.496 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164771071 721275803 /nfs/dbraw/zinc/27/58/03/721275803.db2.gz ZDTMSJMUZOXVAN-LBPRGKRZSA-N -1 3 438.891 3.271 20 0 IGADHM O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000301091696 721859755 /nfs/dbraw/zinc/85/97/55/721859755.db2.gz WTRLJLYKOIWQOW-UHFFFAOYSA-N -1 3 437.569 3.495 20 0 IGADHM CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164987697 722187675 /nfs/dbraw/zinc/18/76/75/722187675.db2.gz AFSIUJWAKUNYTL-GFCCVEGCSA-N -1 3 434.940 3.065 20 0 IGADHM CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164987699 722187680 /nfs/dbraw/zinc/18/76/80/722187680.db2.gz AFSIUJWAKUNYTL-LBPRGKRZSA-N -1 3 434.940 3.065 20 0 IGADHM CC(C)CN1CCN(c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc2F)CC1 ZINC001164657425 719338636 /nfs/dbraw/zinc/33/86/36/719338636.db2.gz LICAJZNNWSWRNU-UHFFFAOYSA-N -1 3 426.945 3.453 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164882126 721313789 /nfs/dbraw/zinc/31/37/89/721313789.db2.gz ZLINAQYMWSSNAU-FRRDWIJNSA-N -1 3 428.892 3.421 20 0 IGADHM O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164936024 721910942 /nfs/dbraw/zinc/91/09/42/721910942.db2.gz SRBMHSDWLJUJSG-MFKMUULPSA-N -1 3 428.867 3.454 20 0 IGADHM CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164896591 721501695 /nfs/dbraw/zinc/50/16/95/721501695.db2.gz ILXVKRUVIZNGKJ-ZDUSSCGKSA-N -1 3 434.940 3.111 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164924538 721839673 /nfs/dbraw/zinc/83/96/73/721839673.db2.gz MZJTVDKBCPBSKK-SJCJKPOMSA-N -1 3 428.892 3.028 20 0 IGADHM Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001164956490 722029204 /nfs/dbraw/zinc/02/92/04/722029204.db2.gz HGAACQHXNAKTCJ-WDMOLILDSA-N -1 3 432.855 3.313 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164645572 719294205 /nfs/dbraw/zinc/29/42/05/719294205.db2.gz KRHXTPCASZRRHU-WWGRRREGSA-N -1 3 428.892 3.312 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164924543 721839552 /nfs/dbraw/zinc/83/95/52/721839552.db2.gz MZJTVDKBCPBSKK-YVEFUNNKSA-N -1 3 428.892 3.028 20 0 IGADHM O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]21)N1CCCCC1 ZINC001164833856 720501948 /nfs/dbraw/zinc/50/19/48/720501948.db2.gz QRZLSPBCGPDOHB-RDBSUJKOSA-N -1 3 446.951 3.208 20 0 IGADHM CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)n1 ZINC001164998931 722227157 /nfs/dbraw/zinc/22/71/57/722227157.db2.gz GFQYLSHJANANAB-NSHDSACASA-N -1 3 430.912 3.178 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164924541 721839583 /nfs/dbraw/zinc/83/95/83/721839583.db2.gz MZJTVDKBCPBSKK-SJKOYZFVSA-N -1 3 428.892 3.028 20 0 IGADHM Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001164956488 722029103 /nfs/dbraw/zinc/02/91/03/722029103.db2.gz HGAACQHXNAKTCJ-JTNHKYCSSA-N -1 3 432.855 3.313 20 0 IGADHM COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(c1nc[n-]c3nc(=S)sc1-3)CC2 ZINC001164712232 720136415 /nfs/dbraw/zinc/13/64/15/720136415.db2.gz LJZVWYFVEIDESN-INIZCTEOSA-N -1 3 442.614 3.278 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164874148 721220493 /nfs/dbraw/zinc/22/04/93/721220493.db2.gz SLNSCELWQJZQEL-UHFFFAOYSA-N -1 3 427.908 3.234 20 0 IGADHM CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164921739 721836426 /nfs/dbraw/zinc/83/64/26/721836426.db2.gz FOFOBHCCZIAMRM-PXAZEXFGSA-N -1 3 442.923 3.018 20 0 IGADHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000013830049 563011037 /nfs/dbraw/zinc/01/10/37/563011037.db2.gz OMHFXPLTUPGVFE-NSHDSACASA-N -1 3 443.157 3.078 20 0 IGADHM CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164921740 721836397 /nfs/dbraw/zinc/83/63/97/721836397.db2.gz FOFOBHCCZIAMRM-SJCJKPOMSA-N -1 3 442.923 3.018 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC001165016884 721781303 /nfs/dbraw/zinc/78/13/03/721781303.db2.gz FGALYMPBHXEBGT-IOASZLSFSA-N -1 3 445.923 3.003 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164968592 722082943 /nfs/dbraw/zinc/08/29/43/722082943.db2.gz FFYCITPUHNUABJ-UHFFFAOYSA-N -1 3 425.848 3.488 20 0 IGADHM Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(=S)[n-]2)cs1 ZINC001164816004 720257261 /nfs/dbraw/zinc/25/72/61/720257261.db2.gz FCLWBEOYOWPVOC-RYUDHWBXSA-N -1 3 445.948 3.498 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164882127 721313549 /nfs/dbraw/zinc/31/35/49/721313549.db2.gz ZLINAQYMWSSNAU-JHJVBQTASA-N -1 3 428.892 3.421 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164924537 721839451 /nfs/dbraw/zinc/83/94/51/721839451.db2.gz MZJTVDKBCPBSKK-PXAZEXFGSA-N -1 3 428.892 3.028 20 0 IGADHM COc1ccc(C([O-])=C2[C@@H](c3ccc(F)cc3)NC(=S)N[C@]2(O)C(F)(F)F)cc1 ZINC000035023251 523776640 /nfs/dbraw/zinc/77/66/40/523776640.db2.gz PCPSTTHLCULKOS-HDMKZQKVSA-N -1 3 428.407 3.103 20 0 IGADHM Cc1cccc2sc(NC(=O)C[N-]S(=O)(=O)c3ccc(Br)s3)nc21 ZINC000004104059 562942010 /nfs/dbraw/zinc/94/20/10/562942010.db2.gz RDLXGKSZMKZSLQ-UHFFFAOYSA-N -1 3 446.373 3.346 20 0 IGADHM Cn1ncc2c1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C[C@@H]2COc1cccnc1 ZINC001164682247 719599158 /nfs/dbraw/zinc/59/91/58/719599158.db2.gz BGWSCHQTGNSLAR-LLVKDONJSA-N -1 3 438.891 3.275 20 0 IGADHM Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(=S)[n-]2)cs1 ZINC001164816002 720256880 /nfs/dbraw/zinc/25/68/80/720256880.db2.gz FCLWBEOYOWPVOC-NWDGAFQWSA-N -1 3 445.948 3.498 20 0 IGADHM O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164900956 721490258 /nfs/dbraw/zinc/49/02/58/721490258.db2.gz SVNZLCHYGADBGO-LLVKDONJSA-N -1 3 432.924 3.008 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165016889 721781195 /nfs/dbraw/zinc/78/11/95/721781195.db2.gz FGALYMPBHXEBGT-XEZPLFJOSA-N -1 3 445.923 3.003 20 0 IGADHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000013830047 563011042 /nfs/dbraw/zinc/01/10/42/563011042.db2.gz OMHFXPLTUPGVFE-LLVKDONJSA-N -1 3 443.157 3.078 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645573 719294111 /nfs/dbraw/zinc/29/41/11/719294111.db2.gz KRHXTPCASZRRHU-XEZPLFJOSA-N -1 3 428.892 3.312 20 0 IGADHM CCOc1ccc([N-]S(=O)(=O)c2cccnc2N2CCN(C3CCCC3)CC2)cc1 ZINC001165032665 721858657 /nfs/dbraw/zinc/85/86/57/721858657.db2.gz YINJKOXOLJBTRC-UHFFFAOYSA-N -1 3 430.574 3.346 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164645571 719294311 /nfs/dbraw/zinc/29/43/11/719294311.db2.gz KRHXTPCASZRRHU-IOASZLSFSA-N -1 3 428.892 3.312 20 0 IGADHM Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(=S)[n-]2)cs1 ZINC001164815940 720257078 /nfs/dbraw/zinc/25/70/78/720257078.db2.gz FCLWBEOYOWPVOC-NEPJUHHUSA-N -1 3 445.948 3.498 20 0 IGADHM O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164900957 721490088 /nfs/dbraw/zinc/49/00/88/721490088.db2.gz SVNZLCHYGADBGO-NSHDSACASA-N -1 3 432.924 3.008 20 0 IGADHM Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(=S)[n-]2)n1 ZINC001164766804 721054085 /nfs/dbraw/zinc/05/40/85/721054085.db2.gz FYFUOWMUAWGQCH-CHWSQXEVSA-N -1 3 425.892 3.047 20 0 IGADHM Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(=S)[n-]2)cs1 ZINC001164816006 720257045 /nfs/dbraw/zinc/25/70/45/720257045.db2.gz FCLWBEOYOWPVOC-VXGBXAGGSA-N -1 3 445.948 3.498 20 0 IGADHM O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164895607 721504733 /nfs/dbraw/zinc/50/47/33/721504733.db2.gz DCIXQJGSGRTKNI-LBPRGKRZSA-N -1 3 425.892 3.001 20 0 IGADHM Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001164956489 722029225 /nfs/dbraw/zinc/02/92/25/722029225.db2.gz HGAACQHXNAKTCJ-MISXGVKJSA-N -1 3 432.855 3.313 20 0 IGADHM CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164921741 721836240 /nfs/dbraw/zinc/83/62/40/721836240.db2.gz FOFOBHCCZIAMRM-SJKOYZFVSA-N -1 3 442.923 3.018 20 0 IGADHM COc1ccc(C([O-])=C2[C@H](c3ccc(F)cc3)NC(=S)N[C@]2(O)C(F)(F)F)cc1 ZINC000035023245 523777990 /nfs/dbraw/zinc/77/79/90/523777990.db2.gz PCPSTTHLCULKOS-RLFYNMQTSA-N -1 3 428.407 3.103 20 0 IGADHM CC(C)CN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000301055698 719336660 /nfs/dbraw/zinc/33/66/60/719336660.db2.gz GQYLQZUBLLJDEA-UHFFFAOYSA-N -1 3 425.558 3.209 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164771068 721275850 /nfs/dbraw/zinc/27/58/50/721275850.db2.gz ZDTMSJMUZOXVAN-GFCCVEGCSA-N -1 3 438.891 3.271 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165016890 721781243 /nfs/dbraw/zinc/78/12/43/721781243.db2.gz FGALYMPBHXEBGT-ZENOOKHLSA-N -1 3 445.923 3.003 20 0 IGADHM O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164895605 721504792 /nfs/dbraw/zinc/50/47/92/721504792.db2.gz DCIXQJGSGRTKNI-GFCCVEGCSA-N -1 3 425.892 3.001 20 0 IGADHM Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(=S)[n-]2)n1 ZINC001164766809 721053993 /nfs/dbraw/zinc/05/39/93/721053993.db2.gz FYFUOWMUAWGQCH-OLZOCXBDSA-N -1 3 425.892 3.047 20 0 IGADHM CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164896587 721501627 /nfs/dbraw/zinc/50/16/27/721501627.db2.gz ILXVKRUVIZNGKJ-CYBMUJFWSA-N -1 3 434.940 3.111 20 0 IGADHM O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]21)N1CCCCC1 ZINC001164833845 720502031 /nfs/dbraw/zinc/50/20/31/720502031.db2.gz QRZLSPBCGPDOHB-IHRRRGAJSA-N -1 3 446.951 3.208 20 0 IGADHM O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@H]21)N1CCCCC1 ZINC001164833846 720502200 /nfs/dbraw/zinc/50/22/00/720502200.db2.gz QRZLSPBCGPDOHB-MCIONIFRSA-N -1 3 446.951 3.208 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCCCn1cccn1 ZINC001165016886 721781469 /nfs/dbraw/zinc/78/14/69/721781469.db2.gz FGALYMPBHXEBGT-WWGRRREGSA-N -1 3 445.923 3.003 20 0 IGADHM CC(C)CN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)CC1 ZINC001164657216 719337245 /nfs/dbraw/zinc/33/72/45/719337245.db2.gz CSJIYASVNIGSAT-UHFFFAOYSA-N -1 3 431.587 3.270 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164882128 721313722 /nfs/dbraw/zinc/31/37/22/721313722.db2.gz ZLINAQYMWSSNAU-RWMBFGLXSA-N -1 3 428.892 3.421 20 0 IGADHM COC[C@H]1CC2(CN1Cc1ccccn1)CCN(c1nc[n-]c3nc(=S)sc1-3)CC2 ZINC001164712233 720137631 /nfs/dbraw/zinc/13/76/31/720137631.db2.gz LJZVWYFVEIDESN-MRXNPFEDSA-N -1 3 442.614 3.278 20 0 IGADHM Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(=S)[n-]2)n1 ZINC001164766819 721054164 /nfs/dbraw/zinc/05/41/64/721054164.db2.gz FYFUOWMUAWGQCH-STQMWFEESA-N -1 3 425.892 3.047 20 0 IGADHM Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001164956487 722029313 /nfs/dbraw/zinc/02/93/13/722029313.db2.gz HGAACQHXNAKTCJ-GYSYKLTISA-N -1 3 432.855 3.313 20 0 IGADHM O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CCO2 ZINC001165000215 722249621 /nfs/dbraw/zinc/24/96/21/722249621.db2.gz FOUJKXMTGJSYGF-QGZVFWFLSA-N -1 3 444.891 3.068 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645574 719294038 /nfs/dbraw/zinc/29/40/38/719294038.db2.gz KRHXTPCASZRRHU-ZENOOKHLSA-N -1 3 428.892 3.312 20 0 IGADHM CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164921742 721836324 /nfs/dbraw/zinc/83/63/24/721836324.db2.gz FOFOBHCCZIAMRM-YVEFUNNKSA-N -1 3 442.923 3.018 20 0 IGADHM COc1cccc(OC)c1CN1CCC(N(C)c2nc[n-]c3nc(=S)sc2-3)CC1 ZINC001165022042 721843094 /nfs/dbraw/zinc/84/30/94/721843094.db2.gz NUIGSOLYTBRDFR-UHFFFAOYSA-N -1 3 431.587 3.493 20 0 IGADHM O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CCO2 ZINC001165000214 722249739 /nfs/dbraw/zinc/24/97/39/722249739.db2.gz FOUJKXMTGJSYGF-KRWDZBQOSA-N -1 3 444.891 3.068 20 0 IGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164915361 721802950 /nfs/dbraw/zinc/80/29/50/721802950.db2.gz JAANWXKYRHLDBN-HNNXBMFYSA-N -1 3 448.877 3.496 20 0 IGADHM