smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=Cc1c(=O)[nH]c(=S)n(-c2ccc(Br)cc2)c1O ZINC000408742192 447679752 /nfs/dbraw/zinc/67/97/52/447679752.db2.gz QAFWHFJCNMRYPT-MRVPVSSYSA-N 0 2 327.159 1.012 40 30 EDEBLN C=CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2O)C(=O)NC1=S ZINC000224914634 578652326 /nfs/dbraw/zinc/65/23/26/578652326.db2.gz IHMGYPJIJOHLQX-VQHVLOKHSA-N 0 2 333.325 1.113 40 30 EDEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1cccnc1 ZINC000408528116 250303700 /nfs/dbraw/zinc/30/37/00/250303700.db2.gz RSMJVWPJIBDVBS-LLVKDONJSA-N 0 2 326.287 1.822 40 30 EDEBLN N#CC(C#N)=NNc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000056672793 441732411 /nfs/dbraw/zinc/73/24/11/441732411.db2.gz RLXWNTHNSXQSLK-HNENSFHCSA-N 0 2 326.341 2.382 40 30 EDEBLN CCn1c(=O)c(/C=N/CC[NH+]2CCOCC2)c([O-])c2ccccc21 ZINC000019418358 202007342 /nfs/dbraw/zinc/00/73/42/202007342.db2.gz UCMUECCPIZFNBB-CPNJWEJPSA-N 0 2 329.400 1.478 40 30 EDEBLN O=[N+]([O-])C(CN1CCOCC1)=NNc1ccc(Br)cc1 ZINC000019201878 212004005 /nfs/dbraw/zinc/00/40/05/212004005.db2.gz ANJLKFJOXRIVPM-QINSGFPZSA-N 0 2 343.181 1.783 40 30 EDEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNCc3ccccn3)C2=O)c1 ZINC000408528875 250303244 /nfs/dbraw/zinc/30/32/44/250303244.db2.gz XERZHTZJVBZJCE-MXDDHBLUSA-N 0 2 336.351 1.860 40 30 EDEBLN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1O)[C@H]1C=C[C@@H]2CC1 ZINC000002916552 304719021 /nfs/dbraw/zinc/71/90/21/304719021.db2.gz HORONSSAEYOHFJ-RHCPNTKTSA-N 0 2 341.323 1.832 40 30 EDEBLN C#CCOc1c(Cl)cc(C=NNc2nnc(C)c(=O)[nH]2)cc1OC ZINC000008044815 441081078 /nfs/dbraw/zinc/08/10/78/441081078.db2.gz QYBGGZHYMUHWIU-CAOOACKPSA-N 0 2 347.762 1.593 40 30 EDEBLN COc1ccc(CNC(=O)C[C@@H]2S/C(=N\N=C(C)C)NC2=O)cc1 ZINC000016138656 524054548 /nfs/dbraw/zinc/05/45/48/524054548.db2.gz PSLLZJFHDQTTOR-ZDUSSCGKSA-N 0 2 348.428 1.685 40 30 EDEBLN COc1ccc(CNC(=O)CC2S/C(=N\N=C(C)C)NC2=O)cc1 ZINC000016138656 524054550 /nfs/dbraw/zinc/05/45/50/524054550.db2.gz PSLLZJFHDQTTOR-ZDUSSCGKSA-N 0 2 348.428 1.685 40 30 EDEBLN C=CCNC(=S)N/N=C(\C)c1c(O)c2ccccc2n(C)c1=O ZINC000101160085 219117573 /nfs/dbraw/zinc/11/75/73/219117573.db2.gz VLJGBOJVGLHBEC-VCHYOVAHSA-N 0 2 330.413 1.618 40 30 EDEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNCc2ccco2)C1=O ZINC000408526558 250303608 /nfs/dbraw/zinc/30/36/08/250303608.db2.gz DMBHBXLKPBALGR-XACIZNRCSA-N 0 2 341.323 1.758 40 30 EDEBLN Cc1ccc(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1 ZINC000035183093 213013300 /nfs/dbraw/zinc/01/33/00/213013300.db2.gz ULWARJDLZBZBKK-OQLLNIDSSA-N 0 2 335.341 1.921 40 30 EDEBLN N#CC=C([O-])[NH+]=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000101306591 219121829 /nfs/dbraw/zinc/12/18/29/219121829.db2.gz HMZSVFPDKHORKE-YXEAAEFPSA-N 0 2 349.437 1.197 40 30 EDEBLN CC(=O)C(=Cn1c(=O)cc(O)[nH]c1=S)C(=O)Nc1ccccc1C ZINC000018118025 441247752 /nfs/dbraw/zinc/24/77/52/441247752.db2.gz YRUVFDWHPGWNMS-FLIBITNWSA-N 0 2 345.380 1.040 40 30 EDEBLN CC(=O)C(=Cn1c(O)cc(=O)[nH]c1=S)C(=O)Nc1ccccc1C ZINC000018118025 441247757 /nfs/dbraw/zinc/24/77/57/441247757.db2.gz YRUVFDWHPGWNMS-FLIBITNWSA-N 0 2 345.380 1.040 40 30 EDEBLN O=C1NC(=O)C(C=NNC(F)(F)C(F)(F)C(F)(F)F)C(=O)N1 ZINC000409036885 447681914 /nfs/dbraw/zinc/68/19/14/447681914.db2.gz WOEIWDRJRSPADL-KDFUSNODSA-N 0 2 338.139 1.307 40 30 EDEBLN C/C(=N\CC[NH+]1CCOCC1)c1c([O-])c2ccccc2n(C)c1=O ZINC000104826230 441213414 /nfs/dbraw/zinc/21/34/14/441213414.db2.gz NERSFQFTPRSIPR-CPNJWEJPSA-N 0 2 329.400 1.385 40 30 EDEBLN Cc1cc(NC(O)=C2C(=O)c3ccccc3S(=O)(=O)N2C)no1 ZINC000013130154 301330912 /nfs/dbraw/zinc/33/09/12/301330912.db2.gz LXLDMERTXJKSMN-OWBHPGMISA-N 0 2 335.341 1.639 40 30 in-vitro EDEBLN N#CC=C([O-])[NH+]=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000101306586 219121281 /nfs/dbraw/zinc/12/12/81/219121281.db2.gz HMZSVFPDKHORKE-BLCHQYFCSA-N 0 2 349.437 1.197 40 30 EDEBLN CC1CCN(c2ccc(C=[NH+][N-]c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000408973725 447682070 /nfs/dbraw/zinc/68/20/70/447682070.db2.gz QDPNMLJZYSGNML-OQLLNIDSSA-N 0 2 330.352 1.790 40 30 EDEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNCc3ccccn3)C2=O)cc1 ZINC000408526982 250303379 /nfs/dbraw/zinc/30/33/79/250303379.db2.gz IMSLOCJXSJADBW-SKCQWOFPSA-N 0 2 336.351 1.860 40 30 EDEBLN C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1c(O)cc(C)oc1=O ZINC000096901428 442150942 /nfs/dbraw/zinc/15/09/42/442150942.db2.gz GEMMRLPMIPRTSU-LFIBNONCSA-N 0 2 336.369 1.665 40 30 EDEBLN N#Cc1c(F)cccc1Nc1cc(C2CC2)[nH+]c(NCC(=O)[O-])n1 ZINC000328958490 444423049 /nfs/dbraw/zinc/42/30/49/444423049.db2.gz APHJDAXOWFABEU-UHFFFAOYSA-N 0 2 327.319 1.449 40 30 EDEBLN O=Cc1c(=O)[nH]c(=S)n(-c2ccc(Br)cc2)c1O ZINC000408742194 447680751 /nfs/dbraw/zinc/68/07/51/447680751.db2.gz QAFWHFJCNMRYPT-QMMMGPOBSA-N 0 2 327.159 1.012 40 30 EDEBLN C=CCS(=O)(=O)N[C@@H](C)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1 ZINC000100217784 219095128 /nfs/dbraw/zinc/09/51/28/219095128.db2.gz AKURHWHNJVQKQR-JTQLQIEISA-N 0 2 338.433 1.899 40 30 EDEBLN N#CC=C([O-])[NH+]=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000101306601 219121430 /nfs/dbraw/zinc/12/14/30/219121430.db2.gz HMZSVFPDKHORKE-LTUGMUNRSA-N 0 2 349.437 1.197 40 30 EDEBLN N#C[C@@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000019819325 441261457 /nfs/dbraw/zinc/26/14/57/441261457.db2.gz HZQNMTWUUHTYIT-KBPBESRZSA-N 0 2 349.394 1.984 40 30 EDEBLN N#CC1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000019819325 441261464 /nfs/dbraw/zinc/26/14/64/441261464.db2.gz HZQNMTWUUHTYIT-KBPBESRZSA-N 0 2 349.394 1.984 40 30 EDEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNCc2ccccn2)C1=O ZINC000408529077 250303638 /nfs/dbraw/zinc/30/36/38/250303638.db2.gz ZVNFFTKKIOAORK-AXLWCPOOSA-N 0 2 336.351 1.860 40 30 EDEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNCc1ccccn1 ZINC000408526933 250303642 /nfs/dbraw/zinc/30/36/42/250303642.db2.gz ICUONCOLBOVDDP-AINDZBIGSA-N 0 2 340.314 1.691 40 30 EDEBLN Cc1ccc(S(=O)(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)cc1 ZINC000005496253 440957337 /nfs/dbraw/zinc/95/73/37/440957337.db2.gz ULWARJDLZBZBKK-DHDCSXOGSA-N 0 2 335.341 1.921 40 30 EDEBLN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1O ZINC000409355643 257872565 /nfs/dbraw/zinc/87/25/65/257872565.db2.gz DGSNFHBIGPMIQJ-UHFFFAOYSA-N 0 2 326.268 1.598 40 30 EDEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNCc3ccccn3)C2=O)c1 ZINC000408528877 250303068 /nfs/dbraw/zinc/30/30/68/250303068.db2.gz XERZHTZJVBZJCE-SKCQWOFPSA-N 0 2 336.351 1.860 40 30 EDEBLN COc1cccc(N2C(=O)NC(=O)C(=CNCc3ccco3)C2=O)c1 ZINC000408526458 250303177 /nfs/dbraw/zinc/30/31/77/250303177.db2.gz BBXJMUQHNXMWRN-FNHQQPGVSA-N 0 2 341.323 1.758 40 30 EDEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNCc1ccco1 ZINC000408527319 250303793 /nfs/dbraw/zinc/30/37/93/250303793.db2.gz MBOZMMJTHYEQPF-RGVUVNHFSA-N 0 2 329.287 1.889 40 30 EDEBLN O=C(C(F)C(F)(F)F)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000002742182 440873926 /nfs/dbraw/zinc/87/39/26/440873926.db2.gz NQNIAQROQKFLKJ-WDSKDSINSA-N 0 2 342.186 1.458 40 30 EDEBLN O=C([C@H](F)C(F)(F)F)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000002742182 440873930 /nfs/dbraw/zinc/87/39/30/440873930.db2.gz NQNIAQROQKFLKJ-WDSKDSINSA-N 0 2 342.186 1.458 40 30 EDEBLN O=C1Oc2c3ccccc3n(-c3ccccc3)c(=O)c2C(=O)/C1=N/O ZINC000008381740 441091144 /nfs/dbraw/zinc/09/11/44/441091144.db2.gz CMQAIJFYKOYHNH-RGEXLXHISA-N 0 2 334.287 1.923 40 30 EDEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNCc3ccccn3)C2=O)c1 ZINC000408528878 250302984 /nfs/dbraw/zinc/30/29/84/250302984.db2.gz XERZHTZJVBZJCE-VUQQOUJSSA-N 0 2 336.351 1.860 40 30 EDEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNCc1ccccn1 ZINC000408526943 250303252 /nfs/dbraw/zinc/30/32/52/250303252.db2.gz ICUONCOLBOVDDP-ZTPSMGMTSA-N 0 2 340.314 1.691 40 30 EDEBLN Cc1ccc(S(=O)(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000056665539 441732252 /nfs/dbraw/zinc/73/22/52/441732252.db2.gz SOGPPWOOSMJVHA-DHDCSXOGSA-N 0 2 335.341 1.921 40 30 EDEBLN COc1cccc(N2C(=O)NC(=O)C(=CNCc3ccco3)C2=O)c1 ZINC000408526460 250303056 /nfs/dbraw/zinc/30/30/56/250303056.db2.gz BBXJMUQHNXMWRN-KPYNCUPYSA-N 0 2 341.323 1.758 40 30 EDEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNCc3ccccn3)C2=O)cc1 ZINC000408526984 250303337 /nfs/dbraw/zinc/30/33/37/250303337.db2.gz IMSLOCJXSJADBW-VUQQOUJSSA-N 0 2 336.351 1.860 40 30 EDEBLN C#CC[NH+](C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1 ZINC000020503925 560093652 /nfs/dbraw/zinc/09/36/52/560093652.db2.gz JYXJODRFZNJPKW-GBESFXJTSA-N 0 2 325.456 1.692 40 30 biogenic,in-vitro EDEBLN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc(O)c([N+](=O)[O-])c1)[C@H]1C=C[C@@H]2CC1 ZINC000036079816 304719142 /nfs/dbraw/zinc/71/91/42/304719142.db2.gz YQOIWXXWIRRNJQ-CATFXYOHSA-N 0 2 341.323 1.832 40 30 EDEBLN N#CC=C([O-])[NH+]=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000101306595 204003877 /nfs/dbraw/zinc/00/38/77/204003877.db2.gz HMZSVFPDKHORKE-BREGNPSQSA-N 0 2 349.437 1.197 40 30 EDEBLN C=CCS(=O)(=O)N[C@H](C)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1 ZINC000100217786 219095202 /nfs/dbraw/zinc/09/52/02/219095202.db2.gz AKURHWHNJVQKQR-SNVBAGLBSA-N 0 2 338.433 1.899 40 30 EDEBLN Cc1cc(Br)ccc1NN=C1C(=O)NC(=O)NC1=O ZINC000016282404 301071609 /nfs/dbraw/zinc/07/16/09/301071609.db2.gz WTSXMNCJOBYJME-UHFFFAOYSA-N 0 2 325.122 1.732 40 30 EDEBLN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000036108076 213069124 /nfs/dbraw/zinc/06/91/24/213069124.db2.gz WPPTWGOUVYIATM-CYBMUJFWSA-N 0 2 333.300 1.658 40 30 EDEBLN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1O)[C@@H]1C=C[C@H]2CC1 ZINC000005018448 440935232 /nfs/dbraw/zinc/93/52/32/440935232.db2.gz HORONSSAEYOHFJ-YOXVZKQBSA-N 0 2 341.323 1.832 40 30 EDEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNCc2ccccn2)C1=O ZINC000408529078 250303557 /nfs/dbraw/zinc/30/35/57/250303557.db2.gz ZVNFFTKKIOAORK-HIPSJFSSSA-N 0 2 336.351 1.860 40 30 EDEBLN N#C[C@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000019819329 441261256 /nfs/dbraw/zinc/26/12/56/441261256.db2.gz HZQNMTWUUHTYIT-KGLIPLIRSA-N 0 2 349.394 1.984 40 30 EDEBLN N#CC1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000019819329 441261260 /nfs/dbraw/zinc/26/12/60/441261260.db2.gz HZQNMTWUUHTYIT-KGLIPLIRSA-N 0 2 349.394 1.984 40 30 EDEBLN C#CCOc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC ZINC000004649348 210236790 /nfs/dbraw/zinc/23/67/90/210236790.db2.gz LNUDTBXTCBCYCX-GQCTYLIASA-N 0 2 343.295 1.575 40 30 EDEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNCc1ccccn1 ZINC000408526938 250302953 /nfs/dbraw/zinc/30/29/53/250302953.db2.gz ICUONCOLBOVDDP-FGHSJCFPSA-N 0 2 340.314 1.691 40 30 EDEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1cccnc1 ZINC000408528122 250303351 /nfs/dbraw/zinc/30/33/51/250303351.db2.gz RSMJVWPJIBDVBS-NSHDSACASA-N 0 2 326.287 1.822 40 30 EDEBLN O=C([C@@H](F)C(F)(F)F)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000002742183 440873457 /nfs/dbraw/zinc/87/34/57/440873457.db2.gz NQNIAQROQKFLKJ-OLQVQODUSA-N 0 2 342.186 1.458 40 30 EDEBLN C=CCc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(OC)c1O ZINC000006441168 440993192 /nfs/dbraw/zinc/99/31/92/440993192.db2.gz KOBLHYFXFYYAQZ-AATRIKPKSA-N 0 2 345.311 1.585 40 30 EDEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNCc1ccco1 ZINC000408527309 250303744 /nfs/dbraw/zinc/30/37/44/250303744.db2.gz MBOZMMJTHYEQPF-HCGGYXKBSA-N 0 2 329.287 1.889 40 30 EDEBLN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000409365891 447683503 /nfs/dbraw/zinc/68/35/03/447683503.db2.gz ZKQVLVZZYSXSAN-UHFFFAOYSA-N 0 2 326.268 1.598 40 30 EDEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNCc2ccccn2)C1=O ZINC000408529081 250303576 /nfs/dbraw/zinc/30/35/76/250303576.db2.gz ZVNFFTKKIOAORK-KVMVOAJRSA-N 0 2 336.351 1.860 40 30 EDEBLN COc1ccc(N2C(=O)NC(=O)C(=CNCc3ccco3)C2=O)cc1 ZINC000408529007 250303671 /nfs/dbraw/zinc/30/36/71/250303671.db2.gz ZAMXGPRCFYTGOI-YFEUJDIGSA-N 0 2 341.323 1.758 40 30 EDEBLN O=c1[nH]cnc2[nH]c(N=NCc3ccc(Br)cc3O)nc21 ZINC000006161162 440982058 /nfs/dbraw/zinc/98/20/58/440982058.db2.gz BIVZHKFJLPKAJF-AYSLTRBKSA-N 0 2 349.148 1.560 40 30 EDEBLN COc1cccc(N2C(=O)NC(=O)C(=CNCc3ccco3)C2=O)c1 ZINC000005646306 440963608 /nfs/dbraw/zinc/96/36/08/440963608.db2.gz BBXJMUQHNXMWRN-XKYMITNMSA-N 0 2 341.323 1.758 40 30 EDEBLN O=[N+]([O-])c1ccc(O)c(/C=N/NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000016952841 441233590 /nfs/dbraw/zinc/23/35/90/441233590.db2.gz BLXMPTQIVIBIEP-OVCLIPMQSA-N 0 2 339.304 1.752 40 30 EDEBLN O=c1[nH]ncc(NN=Cc2cc([N+](=O)[O-])c(O)cc2O)c1Cl ZINC000013285298 441156823 /nfs/dbraw/zinc/15/68/23/441156823.db2.gz CRXZGMSWVIIHSP-DXNYSGJVSA-N 0 2 325.668 1.189 40 30 EDEBLN COC[C@@H](C)/N=C1\NC(=O)C(CC(=O)Nc2ccc(F)cc2)S1 ZINC000007985446 441077568 /nfs/dbraw/zinc/07/75/68/441077568.db2.gz VSICMYFCDLYQNM-BXKDBHETSA-N 0 2 339.392 1.777 40 30 EDEBLN COC[C@@H](C)/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S1 ZINC000007985446 441077576 /nfs/dbraw/zinc/07/75/76/441077576.db2.gz VSICMYFCDLYQNM-BXKDBHETSA-N 0 2 339.392 1.777 40 30 EDEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNCc2ccccn2)C1=O ZINC000408529083 250303750 /nfs/dbraw/zinc/30/37/50/250303750.db2.gz ZVNFFTKKIOAORK-YRIIZNAFSA-N 0 2 336.351 1.860 40 30 EDEBLN C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1c(O)cc(C)oc1=O ZINC000017176558 441238750 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EDEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2cccnc2)C1=O ZINC000408527520 250303303 /nfs/dbraw/zinc/30/33/03/250303303.db2.gz OMKXQJGIIIXOII-GFCCVEGCSA-N 0 2 338.323 1.692 40 30 EDEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNCc2ccco2)C1=O ZINC000408526553 250303623 /nfs/dbraw/zinc/30/36/23/250303623.db2.gz DMBHBXLKPBALGR-HIPMGEKLSA-N 0 2 341.323 1.758 40 30 EDEBLN N#C[C@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@@H]1c1ccccc1 ZINC000019819331 441260929 /nfs/dbraw/zinc/26/09/29/441260929.db2.gz HZQNMTWUUHTYIT-ZIAGYGMSSA-N 0 2 349.394 1.984 40 30 EDEBLN N#CC1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@@H]1c1ccccc1 ZINC000019819331 441260936 /nfs/dbraw/zinc/26/09/36/441260936.db2.gz HZQNMTWUUHTYIT-ZIAGYGMSSA-N 0 2 349.394 1.984 40 30 EDEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNCc3ccccn3)C2=O)cc1 ZINC000408526972 250303261 /nfs/dbraw/zinc/30/32/61/250303261.db2.gz IMSLOCJXSJADBW-BKQORJHRSA-N 0 2 336.351 1.860 40 30 EDEBLN COc1ccc(N2C(=O)NC(=O)C(=CNCc3ccco3)C2=O)cc1 ZINC000408529004 250303633 /nfs/dbraw/zinc/30/36/33/250303633.db2.gz ZAMXGPRCFYTGOI-XKYMITNMSA-N 0 2 341.323 1.758 40 30 EDEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNCc3ccccn3)C2=O)c1 ZINC000408528873 250303727 /nfs/dbraw/zinc/30/37/27/250303727.db2.gz XERZHTZJVBZJCE-BKQORJHRSA-N 0 2 336.351 1.860 40 30 EDEBLN CC1=NN(C(N)=S)C(=O)C1=NNc1ccc(Br)cc1 ZINC000100150434 219093784 /nfs/dbraw/zinc/09/37/84/219093784.db2.gz VANAUTFMOAMGLS-DHDCSXOGSA-N 0 2 340.206 1.679 40 30 EDEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNCc2ccco2)C1=O ZINC000408526555 250303553 /nfs/dbraw/zinc/30/35/53/250303553.db2.gz DMBHBXLKPBALGR-NNLQFVHNSA-N 0 2 341.323 1.758 40 30 EDEBLN O=C(C(F)C(F)(F)F)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000002742185 440873206 /nfs/dbraw/zinc/87/32/06/440873206.db2.gz NQNIAQROQKFLKJ-PHDIDXHHSA-N 0 2 342.186 1.458 40 30 EDEBLN O=C([C@@H](F)C(F)(F)F)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000002742185 440873218 /nfs/dbraw/zinc/87/32/18/440873218.db2.gz NQNIAQROQKFLKJ-PHDIDXHHSA-N 0 2 342.186 1.458 40 30 EDEBLN