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(CC1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccc2ccccc2c1 ZINC000008516771 961556552 /nfs/dbraw/zinc/55/65/52/961556552.db2.gz RSYNMHGWHFNWKU-FQEVSTJZSA-N 0 2 403.507 3.999 50 30 HHEALN CC1=NN(c2ccccc2)C(=O)C1C=Nn1c(C)nc2sc3c(c2c1=O)CCCC3 ZINC000254834890 970580182 /nfs/dbraw/zinc/58/01/82/970580182.db2.gz LWJYKHQEFQBHHU-UHFFFAOYSA-N 0 2 419.510 3.727 50 30 HHEALN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nn1c(C)nc2sc3c(c2c1=O)CCCC3 ZINC000254834890 970580190 /nfs/dbraw/zinc/58/01/90/970580190.db2.gz LWJYKHQEFQBHHU-UHFFFAOYSA-N 0 2 419.510 3.727 50 30 HHEALN CCc1ccc([C@H]2c3c(=O)nc4[nH]c(C)nn4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004386165 557550001 /nfs/dbraw/zinc/55/00/01/557550001.db2.gz HZHKNLOXOFJJEO-QGZVFWFLSA-N 0 2 403.486 3.901 50 30 HHEALN O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2CCCC[C@@H]2/N=C/c2cc([N+](=O)[O-])ccc2O)c1 ZINC000004393978 557551576 /nfs/dbraw/zinc/55/15/76/557551576.db2.gz YEWPOUMZCXXLJY-MECGADHSSA-N 0 2 412.402 3.763 50 30 HHEALN CSc1cccc(NC(=O)CC2S/C(=N/c3ccc(F)c(F)c3)NC2=O)c1 ZINC000004709209 557585673 /nfs/dbraw/zinc/58/56/73/557585673.db2.gz OJFSDNFJYSWHKH-OAHLLOKOSA-N 0 2 407.467 3.935 50 30 HHEALN CSc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)c(F)c3)NC2=O)c1 ZINC000004709209 557585676 /nfs/dbraw/zinc/58/56/76/557585676.db2.gz OJFSDNFJYSWHKH-OAHLLOKOSA-N 0 2 407.467 3.935 50 30 HHEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccccc2)S1)c1ccc([N+](=O)[O-])cc1 ZINC000005101241 557635564 /nfs/dbraw/zinc/63/55/64/557635564.db2.gz YELHSMJISFLNCU-BFTVFPACSA-N 0 2 411.443 3.776 50 30 HHEALN CC(=NN=C1NC(=O)[C@H](CC(=O)Nc2ccccc2)S1)c1ccc([N+](=O)[O-])cc1 ZINC000005101241 557635565 /nfs/dbraw/zinc/63/55/65/557635565.db2.gz YELHSMJISFLNCU-BFTVFPACSA-N 0 2 411.443 3.776 50 30 HHEALN O=C(CC1S/C(=N\N=C\c2ccco2)NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000005102184 557635931 /nfs/dbraw/zinc/63/59/31/557635931.db2.gz BYFFONXUNORYNC-UJHWAJGWSA-N 0 2 411.270 3.537 50 30 HHEALN O=C(C[C@@H]1S/C(=N\N=C\c2ccco2)NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000005102184 557635934 /nfs/dbraw/zinc/63/59/34/557635934.db2.gz BYFFONXUNORYNC-UJHWAJGWSA-N 0 2 411.270 3.537 50 30 HHEALN Cc1cccc(NC(=O)CC2S/C(=N\N=C3/CCCc4ccccc43)NC2=O)c1C ZINC000005648217 557666388 /nfs/dbraw/zinc/66/63/88/557666388.db2.gz DRAAUEIFBIMKDH-KHKYUJEISA-N 0 2 420.538 3.960 50 30 HHEALN Cc1cccc(NC(=O)C[C@H]2S/C(=N\N=C3/CCCc4ccccc43)NC2=O)c1C ZINC000005648217 557666391 /nfs/dbraw/zinc/66/63/91/557666391.db2.gz DRAAUEIFBIMKDH-KHKYUJEISA-N 0 2 420.538 3.960 50 30 HHEALN CN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000009311916 557836400 /nfs/dbraw/zinc/83/64/00/557836400.db2.gz XLDFLALXNFDBGZ-HNNXBMFYSA-N 0 2 417.215 3.565 50 30 HHEALN O=[N+]([O-])c1ccc(O)c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc([N+](=O)[O-])ccc2O)c1 ZINC000019863772 558298584 /nfs/dbraw/zinc/29/85/84/558298584.db2.gz YEWPOUMZCXXLJY-RPCWHEIMSA-N 0 2 412.402 3.763 50 30 HHEALN O=C(CC1S/C(=N/N=C/c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccccc1 ZINC000016115138 558772409 /nfs/dbraw/zinc/77/24/09/558772409.db2.gz DRYZNISWPWVPOK-QHBIDGPYSA-N 0 2 420.416 3.656 50 30 HHEALN O=C(C[C@H]1S/C(=N/N=C/c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccccc1 ZINC000016115138 558772412 /nfs/dbraw/zinc/77/24/12/558772412.db2.gz DRYZNISWPWVPOK-QHBIDGPYSA-N 0 2 420.416 3.656 50 30 HHEALN CCCc1nc2ccccc2c(=O)n1/N=C/c1cc([N+](=O)[O-])c2ccccc2c1O ZINC000004844479 559179151 /nfs/dbraw/zinc/17/91/51/559179151.db2.gz ZFTFWEFFUAKHLN-YDZHTSKRSA-N 0 2 402.410 3.998 50 30 HHEALN O=C(CC1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc2ccccc21 ZINC000008381150 568498624 /nfs/dbraw/zinc/49/86/24/568498624.db2.gz PRDWQTFHTZQIKN-HXUWFJFHSA-N 0 2 403.507 3.999 50 30 HHEALN O=C(C[C@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc2ccccc21 ZINC000008381150 568498625 /nfs/dbraw/zinc/49/86/25/568498625.db2.gz PRDWQTFHTZQIKN-HXUWFJFHSA-N 0 2 403.507 3.999 50 30 HHEALN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000015012446 569004129 /nfs/dbraw/zinc/00/41/29/569004129.db2.gz DEIFEVBHWAIESX-AQTBWJFISA-N 0 2 406.438 3.625 50 30 HHEALN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OC ZINC000001214344 569006502 /nfs/dbraw/zinc/00/65/02/569006502.db2.gz FKZZGBGYEWSZDY-XDHOZWIPSA-N 0 2 420.465 3.716 50 30 HHEALN COc1ccccc1NS(=O)(=O)c1ccc(N=NC2CCCC2)c([N+](=O)[O-])c1 ZINC000006234981 569034256 /nfs/dbraw/zinc/03/42/56/569034256.db2.gz ZWHCKJMHUPVOJU-UHFFFAOYSA-N 0 2 404.448 3.746 50 30 aggregator HHEALN O=c1[nH]c2ccc(/N=C/c3cc(Br)c(O)c(Br)c3)cc2[nH]1 ZINC000008860769 571128290 /nfs/dbraw/zinc/12/82/90/571128290.db2.gz FLCTWARKSZBLJH-UBKPWBPPSA-N 0 2 411.053 3.837 50 30 HHEALN CC=CC=CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(C(=O)OCC)cs2)cc1 ZINC000253424309 970561524 /nfs/dbraw/zinc/56/15/24/970561524.db2.gz DGKBMWUEIWSJKA-HRWSBURQSA-N 0 2 409.467 3.881 50 30 HHEALN Cc1cc(O)c(C(=O)C=Cc2ccc(-c3ccc(Br)cc3)o2)c(=O)o1 ZINC000028605435 520851995 /nfs/dbraw/zinc/85/19/95/520851995.db2.gz HCWSDUSNWPRFDB-IWHGQQBYSA-N 0 2 401.212 3.937 50 30 HHEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)S1)C(C)C ZINC000005461041 557655104 /nfs/dbraw/zinc/65/51/04/557655104.db2.gz GRUKXBLFPYQRAY-FBRGJASNSA-N 0 2 400.426 3.654 50 30 HHEALN C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)C(C)C ZINC000005461041 557655106 /nfs/dbraw/zinc/65/51/06/557655106.db2.gz GRUKXBLFPYQRAY-FBRGJASNSA-N 0 2 400.426 3.654 50 30 HHEALN COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2cccc(Br)c2)cc1 ZINC000008566159 557795243 /nfs/dbraw/zinc/79/52/43/557795243.db2.gz YHJCVNLDTZDQRV-KRWDZBQOSA-N 0 2 402.244 3.947 50 30 HHEALN CN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000009312947 557836348 /nfs/dbraw/zinc/83/63/48/557836348.db2.gz XLDFLALXNFDBGZ-OAHLLOKOSA-N 0 2 417.215 3.565 50 30 HHEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccccc2F)S1)c1ccc(Cl)cc1 ZINC000012378844 558392729 /nfs/dbraw/zinc/39/27/29/558392729.db2.gz HEPOPIORXVDNAP-JKHIYUEESA-N 0 2 418.881 3.820 50 30 HHEALN C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2F)S1)c1ccc(Cl)cc1 ZINC000012378844 558392734 /nfs/dbraw/zinc/39/27/34/558392734.db2.gz HEPOPIORXVDNAP-JKHIYUEESA-N 0 2 418.881 3.820 50 30 HHEALN CC1=C/C(=N\N=C2\NC(=O)C(CC(=O)Nc3ccccc3F)S2)CC(C)(C)C1 ZINC000015746726 558751627 /nfs/dbraw/zinc/75/16/27/558751627.db2.gz MVGNAKQRMLHXJX-ANDSAHIGSA-N 0 2 402.495 3.864 50 30 HHEALN CC1=C/C(=N\N=C2\NC(=O)[C@@H](CC(=O)Nc3ccccc3F)S2)CC(C)(C)C1 ZINC000015746726 558751630 /nfs/dbraw/zinc/75/16/30/558751630.db2.gz MVGNAKQRMLHXJX-ANDSAHIGSA-N 0 2 402.495 3.864 50 30 HHEALN O=C(CC1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(Br)cc1 ZINC000018173335 558832616 /nfs/dbraw/zinc/83/26/16/558832616.db2.gz ZEWPLDFMKXVPPF-AWEZNQCLSA-N 0 2 404.289 3.697 50 30 HHEALN O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(Br)cc1 ZINC000018173335 558832618 /nfs/dbraw/zinc/83/26/18/558832618.db2.gz ZEWPLDFMKXVPPF-AWEZNQCLSA-N 0 2 404.289 3.697 50 30 HHEALN COC(=O)CC1S/C(=N/Cc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000005274658 560561534 /nfs/dbraw/zinc/56/15/34/560561534.db2.gz IERKXVZIPMOLDU-XMVGPFMNSA-N 0 2 421.522 3.774 50 30 HHEALN COC(=O)C[C@H]1S/C(=N/Cc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000005274658 560561536 /nfs/dbraw/zinc/56/15/36/560561536.db2.gz IERKXVZIPMOLDU-XMVGPFMNSA-N 0 2 421.522 3.774 50 30 HHEALN NC(=S)N1N=C(c2ccccc2)C(=NNc2ccc(Oc3ccccc3)cc2)C1=O ZINC000101405732 560794372 /nfs/dbraw/zinc/79/43/72/560794372.db2.gz YLVYVHMCJHYQQL-LKUDQCMESA-N 0 2 415.478 3.737 50 30 HHEALN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000102929345 560834724 /nfs/dbraw/zinc/83/47/24/560834724.db2.gz LCLMGSPUFVLJKI-UYTDBDHRSA-N 0 2 407.407 3.678 50 30 HHEALN O=C(CC1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc2ccccc21 ZINC000008381149 568498614 /nfs/dbraw/zinc/49/86/14/568498614.db2.gz PRDWQTFHTZQIKN-FQEVSTJZSA-N 0 2 403.507 3.999 50 30 HHEALN O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc2ccccc21 ZINC000008381149 568498615 /nfs/dbraw/zinc/49/86/15/568498615.db2.gz PRDWQTFHTZQIKN-FQEVSTJZSA-N 0 2 403.507 3.999 50 30 HHEALN CN(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 ZINC000021658747 568735170 /nfs/dbraw/zinc/73/51/70/568735170.db2.gz YSGRXRDNTJNRFW-UHFFFAOYSA-N 0 2 405.483 3.518 50 30 HHEALN COc1ccc(NC(=O)CC2SC(=Nc3ccccc3C)N(C)C2=O)c(OC)c1 ZINC000252634784 569316910 /nfs/dbraw/zinc/31/69/10/569316910.db2.gz WQOPMWUNGVDICX-SFHVURJKSA-N 0 2 413.499 3.602 50 30 HHEALN COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(C)C2=O)c(OC)c1 ZINC000252634784 569316911 /nfs/dbraw/zinc/31/69/11/569316911.db2.gz WQOPMWUNGVDICX-SFHVURJKSA-N 0 2 413.499 3.602 50 30 HHEALN CCc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 ZINC000008844191 571124534 /nfs/dbraw/zinc/12/45/34/571124534.db2.gz YTBCJBKZMQAGIF-AWEZNQCLSA-N 0 2 404.495 3.990 50 30 HHEALN CCOc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 ZINC000008844193 571124570 /nfs/dbraw/zinc/12/45/70/571124570.db2.gz XVDIDHMHXSNACA-AWEZNQCLSA-N 0 2 420.494 3.827 50 30 HHEALN Cc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccc(C)c(Cl)c3)S2)o1 ZINC000005647459 557666306 /nfs/dbraw/zinc/66/63/06/557666306.db2.gz MFZGANZOTVJICY-FULVDIRDSA-N 0 2 404.879 3.500 50 30 HHEALN Cc1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)S2)o1 ZINC000005647459 557666310 /nfs/dbraw/zinc/66/63/10/557666310.db2.gz MFZGANZOTVJICY-FULVDIRDSA-N 0 2 404.879 3.500 50 30 HHEALN Cc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccc(C)c(Cl)c3)S2)o1 ZINC000006503823 557705695 /nfs/dbraw/zinc/70/56/95/557705695.db2.gz MFZGANZOTVJICY-UPWAIKHBSA-N 0 2 404.879 3.500 50 30 HHEALN Cc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)S2)o1 ZINC000006503823 557705699 /nfs/dbraw/zinc/70/56/99/557705699.db2.gz MFZGANZOTVJICY-UPWAIKHBSA-N 0 2 404.879 3.500 50 30 HHEALN O=C(CC1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1ccc(Cl)cc1Cl ZINC000015767458 558751802 /nfs/dbraw/zinc/75/18/02/558751802.db2.gz KNXFVQIHJKJYEC-LKKXKRCMSA-N 0 2 421.309 3.944 50 30 HHEALN O=C(C[C@@H]1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1ccc(Cl)cc1Cl ZINC000015767458 558751808 /nfs/dbraw/zinc/75/18/08/558751808.db2.gz KNXFVQIHJKJYEC-LKKXKRCMSA-N 0 2 421.309 3.944 50 30 HHEALN CCCc1nc2ccccc2c(=O)n1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O ZINC000100815199 559269097 /nfs/dbraw/zinc/26/90/97/559269097.db2.gz CJJFNGJRCGJKJP-ZVHZXABRSA-N 0 2 401.470 3.739 50 30 HHEALN CCCc1nc2ccccc2c(=O)n1N=CC1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000100815199 559269098 /nfs/dbraw/zinc/26/90/98/559269098.db2.gz CJJFNGJRCGJKJP-ZVHZXABRSA-N 0 2 401.470 3.739 50 30 HHEALN COC(=O)CC1S/C(=N/C2CCCCC2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000005274662 560561506 /nfs/dbraw/zinc/56/15/06/560561506.db2.gz YLEBMFBDUHTJPX-DRGFOCDESA-N 0 2 413.543 3.906 50 30 HHEALN COC(=O)C[C@@H]1S/C(=N/C2CCCCC2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000005274662 560561507 /nfs/dbraw/zinc/56/15/07/560561507.db2.gz YLEBMFBDUHTJPX-DRGFOCDESA-N 0 2 413.543 3.906 50 30 HHEALN COCCN1C(=O)C(=O)C(=C(O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1 ZINC000102546189 560814557 /nfs/dbraw/zinc/81/45/57/560814557.db2.gz ZIRHRTVAKCKLLF-JBCNATCCSA-N 0 2 409.482 3.790 50 30 HHEALN Cc1cc(O)c(C(=O)C=Cc2cccc(NC(=O)c3ccccc3Cl)c2)c(=O)o1 ZINC000105639859 560876527 /nfs/dbraw/zinc/87/65/27/560876527.db2.gz KAJDUDQVSRLDSF-QJRAZLAKSA-N 0 2 409.825 3.821 50 30 HHEALN COc1cc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(Br)cc2)ccc1O ZINC000000677889 568461251 /nfs/dbraw/zinc/46/12/51/568461251.db2.gz SIKVHNWRWQWVEE-KRWDZBQOSA-N 0 2 418.243 3.652 50 30 HHEALN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(OCC)c1O ZINC000002978402 568832765 /nfs/dbraw/zinc/83/27/65/568832765.db2.gz WQHNERUPMMQEMA-LDADJPATSA-N 0 2 420.465 3.803 50 30 HHEALN Cc1ccc(-n2cc(C(=O)c3cc(Br)ccc3O)cc(C#N)c2=O)cc1 ZINC000003252335 568867876 /nfs/dbraw/zinc/86/78/76/568867876.db2.gz SQHIFUQDGWGWJY-UHFFFAOYSA-N 0 2 409.239 3.717 50 30 HHEALN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2C#N)cc1 ZINC000008185156 568980288 /nfs/dbraw/zinc/98/02/88/568980288.db2.gz DLCJYHUODUVRIV-UHFFFAOYSA-N 0 2 407.451 3.620 50 30 HHEALN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc(OC)c1O ZINC000001201430 569006468 /nfs/dbraw/zinc/00/64/68/569006468.db2.gz OOSYABFYVLRVGE-XDHOZWIPSA-N 0 2 420.465 3.919 50 30 HHEALN COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3cccc(Cl)c3Cl)c2)c1 ZINC000009440691 571259134 /nfs/dbraw/zinc/25/91/34/571259134.db2.gz PKPJWUPTNFJWFH-UHFFFAOYSA-N 0 2 415.232 3.961 50 30 HHEALN COc1ccccc1C/N=C1\NC(=O)C(CC(=O)Nc2ccc(F)c(Cl)c2)S1 ZINC000002646353 960473065 /nfs/dbraw/zinc/47/30/65/960473065.db2.gz GKHQLHWCYOGLLZ-MRXNPFEDSA-N 0 2 421.881 3.604 50 30 HHEALN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc(OC)c1O ZINC000012382979 962273597 /nfs/dbraw/zinc/27/35/97/962273597.db2.gz OOSYABFYVLRVGE-UNOMPAQXSA-N 0 2 420.465 3.919 50 30 HHEALN Cc1cc(O)c(C(=O)C=Cc2cccc(NC(=O)c3ccccc3Cl)c2)c(=O)o1 ZINC000028605428 520852445 /nfs/dbraw/zinc/85/24/45/520852445.db2.gz KAJDUDQVSRLDSF-SQUSKLHYSA-N 0 2 409.825 3.821 50 30 HHEALN O=C(NC1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC1CCCC1 ZINC000002745076 557756887 /nfs/dbraw/zinc/75/68/87/557756887.db2.gz ISOLMXGIRCCJRF-UHFFFAOYSA-N 0 2 424.332 3.645 50 30 HHEALN N#CCn1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000008739282 557803447 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50 30 HHEALN CC/N=C1\SC(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C(=O)N1C1CCCCC1 ZINC000138631643 569157200 /nfs/dbraw/zinc/15/72/00/569157200.db2.gz ZHLIXGFBHJFWDQ-UNEBPCJRSA-N 0 2 418.519 3.884 50 30 HHEALN CC/N=C1\S[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C(=O)N1C1CCCCC1 ZINC000138631643 569157201 /nfs/dbraw/zinc/15/72/01/569157201.db2.gz ZHLIXGFBHJFWDQ-UNEBPCJRSA-N 0 2 418.519 3.884 50 30 HHEALN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2F)s1 ZINC000009012328 571210721 /nfs/dbraw/zinc/21/07/21/571210721.db2.gz OKLXMOLPNYJPOK-ZDUSSCGKSA-N 0 2 417.443 3.775 50 30 HHEALN Oc1c(Cl)cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1Cl ZINC000009347887 571250341 /nfs/dbraw/zinc/25/03/41/571250341.db2.gz OFLVYKGURBDSNL-SRZZPIQSSA-N 0 2 422.320 3.530 50 30 HHEALN COc1ccccc1NC(=O)CC1S/C(=N\N=C(/C)C2CCCCC2)NC1=O ZINC000015899729 524601172 /nfs/dbraw/zinc/60/11/72/524601172.db2.gz LXSATWBZQNSYNK-WQGFDPGOSA-N 0 2 402.520 3.568 50 30 HHEALN COc1ccccc1NC(=O)C[C@@H]1S/C(=N\N=C(/C)C2CCCCC2)NC1=O ZINC000015899729 524601188 /nfs/dbraw/zinc/60/11/88/524601188.db2.gz LXSATWBZQNSYNK-WQGFDPGOSA-N 0 2 402.520 3.568 50 30 HHEALN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000002133808 557316902 /nfs/dbraw/zinc/31/69/02/557316902.db2.gz MRLMTFCKEMNXJO-XSFVSMFZSA-N 0 2 403.460 3.616 50 30 HHEALN CNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(CCc2ccc(Cl)cc2)C1=O ZINC000004699860 557583218 /nfs/dbraw/zinc/58/32/18/557583218.db2.gz YMNDVUKVWAXZCC-DVCONVQISA-N 0 2 401.919 3.650 50 30 HHEALN O=C(c1ccccc1)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000020271881 558353156 /nfs/dbraw/zinc/35/31/56/558353156.db2.gz SUSIAANARKPWKU-OAQYLSRUSA-N 0 2 415.405 3.949 50 30 HHEALN COc1ccc(NN=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000095215284 559079400 /nfs/dbraw/zinc/07/94/00/559079400.db2.gz WZIRURYQKSQBNF-DARPEHSRSA-N 0 2 415.409 3.822 50 30 HHEALN COc1cc(NS(=O)(=O)c2ccc(/N=C/c3cccc(Cl)c3)cc2)ncn1 ZINC000100690494 559256966 /nfs/dbraw/zinc/25/69/66/559256966.db2.gz KAIAGCOTTDALSD-RGVLZGJSSA-N 0 2 402.863 3.690 50 30 HHEALN N#C[C@@H](c1ccc(Cl)cc1)c1c(Cl)ccc(-n2ncc(=O)[nH]c2=O)c1Cl ZINC000001853030 559273859 /nfs/dbraw/zinc/27/38/59/559273859.db2.gz WDAVRQSUGQMBER-NSHDSACASA-N 0 2 407.644 3.536 50 30 HHEALN O=C(CC1S/C(=N/N=C/c2ccc(Cl)cc2Cl)NC1=O)Nc1ccccc1 ZINC000018193149 560782127 /nfs/dbraw/zinc/78/21/27/560782127.db2.gz ZPGDQYJXCNJNGJ-SBUZPKSBSA-N 0 2 421.309 3.944 50 30 HHEALN O=C(C[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2Cl)NC1=O)Nc1ccccc1 ZINC000018193149 560782128 /nfs/dbraw/zinc/78/21/28/560782128.db2.gz ZPGDQYJXCNJNGJ-SBUZPKSBSA-N 0 2 421.309 3.944 50 30 HHEALN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2F)s1 ZINC000102932240 560835574 /nfs/dbraw/zinc/83/55/74/560835574.db2.gz PIZXLPZULNXSKA-SXWSKBOKSA-N 0 2 401.444 3.673 50 30 HHEALN COc1cc(Cl)c(C)cc1-n1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O ZINC000005861940 568826463 /nfs/dbraw/zinc/82/64/63/568826463.db2.gz JTRYHTZZJWMQOJ-UHFFFAOYSA-N 0 2 408.841 3.925 50 30 HHEALN CCOc1ccc(NC(=O)CC2SC(=NN=C(C)c3ccco3)NC2=O)cc1 ZINC000252602746 569297138 /nfs/dbraw/zinc/29/71/38/569297138.db2.gz FKRYVMZWYJUJDV-MRXNPFEDSA-N 0 2 400.460 3.859 50 30 HHEALN CCOc1ccc(NC(=O)C[C@H]2SC(=NN=C(C)c3ccco3)NC2=O)cc1 ZINC000252602746 569297139 /nfs/dbraw/zinc/29/71/39/569297139.db2.gz FKRYVMZWYJUJDV-MRXNPFEDSA-N 0 2 400.460 3.859 50 30 HHEALN O=C(CC1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccc2ccccc2c1 ZINC000008516773 961555910 /nfs/dbraw/zinc/55/59/10/961555910.db2.gz RSYNMHGWHFNWKU-HXUWFJFHSA-N 0 2 403.507 3.999 50 30 HHEALN CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)NCCc2ccccc2)S1 ZINC000012995507 962358802 /nfs/dbraw/zinc/35/88/02/962358802.db2.gz WROODXGDKZQJQR-IBGZPJMESA-N 0 2 409.555 3.780 50 30 HHEALN CNC(=O)CC1SC(=Nc2ccc(F)cc2F)N(Cc2sccc2C)C1=O ZINC000254304391 970569941 /nfs/dbraw/zinc/56/99/41/970569941.db2.gz UBCYBYGGPXPHPE-CQSZACIVSA-N 0 2 409.483 3.603 50 30 HHEALN CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2sccc2C)C1=O ZINC000254304391 970569946 /nfs/dbraw/zinc/56/99/46/970569946.db2.gz UBCYBYGGPXPHPE-CQSZACIVSA-N 0 2 409.483 3.603 50 30 HHEALN CC(=O)OCC[C@H]1S/C(=N/N=Cc2c3ccccc3[nH]c2-c2ccccc2)NC1=O ZINC000254625020 970576772 /nfs/dbraw/zinc/57/67/72/970576772.db2.gz WGYDORQHYKEMHZ-LJQANCHMSA-N 0 2 420.494 3.710 50 30 HHEALN O=C(CC1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl ZINC000001205928 557240956 /nfs/dbraw/zinc/24/09/56/557240956.db2.gz BUMDBVVOBQKNEV-YVJZOELXSA-N 0 2 421.309 3.944 50 30 HHEALN O=C(C[C@H]1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl ZINC000001205928 557240963 /nfs/dbraw/zinc/24/09/63/557240963.db2.gz BUMDBVVOBQKNEV-YVJZOELXSA-N 0 2 421.309 3.944 50 30 HHEALN O=C(CC1S/C(=N/N=C/c2cccc3ccccc23)NC1=O)Nc1ccccc1 ZINC000004801791 557598777 /nfs/dbraw/zinc/59/87/77/557598777.db2.gz SSKBUQROIUEWTH-IXOWOOARSA-N 0 2 402.479 3.790 50 30 HHEALN O=C(C[C@H]1S/C(=N/N=C/c2cccc3ccccc23)NC1=O)Nc1ccccc1 ZINC000004801791 557598780 /nfs/dbraw/zinc/59/87/80/557598780.db2.gz SSKBUQROIUEWTH-IXOWOOARSA-N 0 2 402.479 3.790 50 30 HHEALN O=C(c1ccccc1)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000020271879 558353168 /nfs/dbraw/zinc/35/31/68/558353168.db2.gz SUSIAANARKPWKU-NRFANRHFSA-N 0 2 415.405 3.949 50 30 HHEALN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000012374606 558391440 /nfs/dbraw/zinc/39/14/40/558391440.db2.gz AEGRAAHWGWKYTM-CIAFOILYSA-N 0 2 415.402 3.991 50 30 HHEALN COc1cc(C=NNc2nnc(C)c(=O)[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000004422813 558534009 /nfs/dbraw/zinc/53/40/09/558534009.db2.gz BARGGFRRSPBYCG-ZMOGYAJESA-N 0 2 421.501 3.804 50 30 HHEALN O=C(CC1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000014134964 558624105 /nfs/dbraw/zinc/62/41/05/558624105.db2.gz LYXOJXJGIJAVQQ-QCXKMSLLSA-N 0 2 420.416 3.656 50 30 HHEALN O=C(C[C@@H]1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000014134964 558624106 /nfs/dbraw/zinc/62/41/06/558624106.db2.gz LYXOJXJGIJAVQQ-QCXKMSLLSA-N 0 2 420.416 3.656 50 30 HHEALN Cn1[nH]c(C(C)(C)C)c(C(c2c(C(C)(C)C)[nH]n(C)c2=O)c2ccc(C#N)cc2)c1=O ZINC000100946631 558811719 /nfs/dbraw/zinc/81/17/19/558811719.db2.gz HKCSVHGSJHIUFV-QZTJIDSGSA-N 0 2 421.545 3.622 50 30 HHEALN O=C(CC1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000002631081 560586404 /nfs/dbraw/zinc/58/64/04/560586404.db2.gz MAUABEBDTGGTLU-INIZCTEOSA-N 0 2 421.444 3.864 50 30 HHEALN O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000002631081 560586406 /nfs/dbraw/zinc/58/64/06/560586406.db2.gz MAUABEBDTGGTLU-INIZCTEOSA-N 0 2 421.444 3.864 50 30 HHEALN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)cc2[nH]c1=S ZINC000018016465 560766675 /nfs/dbraw/zinc/76/66/75/560766675.db2.gz IBJKNDDKTCFNGK-NSHDSACASA-N 0 2 401.438 3.640 50 30 HHEALN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(F)cc2)s1 ZINC000102609715 560818880 /nfs/dbraw/zinc/81/88/80/560818880.db2.gz NYTVSTYPDKNKNT-MNWMYKRDSA-N 0 2 417.443 3.618 50 30 HHEALN CC[C@H](CC#N)NC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000225521642 568646700 /nfs/dbraw/zinc/64/67/00/568646700.db2.gz SZKAZJTVTKJDBT-CQSZACIVSA-N 0 2 404.467 3.749 50 30 HHEALN Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000057312345 568826669 /nfs/dbraw/zinc/82/66/69/568826669.db2.gz OHYZKXLFYNKJRD-HPKGMJOESA-N 0 2 411.429 3.895 50 30 HHEALN Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000057312345 568826671 /nfs/dbraw/zinc/82/66/71/568826671.db2.gz OHYZKXLFYNKJRD-HPKGMJOESA-N 0 2 411.429 3.895 50 30 HHEALN COc1ccc(NN=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 ZINC000102036194 569027255 /nfs/dbraw/zinc/02/72/55/569027255.db2.gz GFOPAZVIYHUGCG-YYDJUVGSSA-N 0 2 400.438 3.923 50 30 HHEALN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2F)s1 ZINC000102585816 569040374 /nfs/dbraw/zinc/04/03/74/569040374.db2.gz XZDGKOBCFBYTTI-MNWMYKRDSA-N 0 2 417.443 3.618 50 30 HHEALN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=NNc1ccc(C)c(Br)c1 ZINC000009113147 571223685 /nfs/dbraw/zinc/22/36/85/571223685.db2.gz KLJRSSUSEUBRQG-CAPFRKAQSA-N 0 2 416.235 3.856 50 30 HHEALN COc1ccccc1C/N=C1\NC(=O)C(CC(=O)Nc2cccc3ccccc32)S1 ZINC000008488259 961548217 /nfs/dbraw/zinc/54/82/17/961548217.db2.gz ADDQJOQQSRLXJU-FQEVSTJZSA-N 0 2 419.506 3.965 50 30 HHEALN C=CCCOc1cccc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[nH]2)c1 ZINC000034765885 518710748 /nfs/dbraw/zinc/71/07/48/518710748.db2.gz IVVDCKZHMQDXJE-UHFFFAOYSA-N 0 2 422.460 3.587 50 30 HHEALN O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Br)cc([N+](=O)[O-])c1O ZINC000033623353 527043271 /nfs/dbraw/zinc/04/32/71/527043271.db2.gz IMJONZJKNVNPHQ-QPEQYQDCSA-N 0 2 420.244 3.955 50 30 HHEALN Cc1cccc(NC(=O)CC2S/C(=N\N=C3/CCCc4ccccc43)NC2=O)c1C ZINC000005101963 557635881 /nfs/dbraw/zinc/63/58/81/557635881.db2.gz DRAAUEIFBIMKDH-HOIQBIFOSA-N 0 2 420.538 3.960 50 30 HHEALN Cc1cccc(NC(=O)C[C@@H]2S/C(=N\N=C3/CCCc4ccccc43)NC2=O)c1C ZINC000005101963 557635884 /nfs/dbraw/zinc/63/58/84/557635884.db2.gz DRAAUEIFBIMKDH-HOIQBIFOSA-N 0 2 420.538 3.960 50 30 HHEALN CCOc1ccc(NC(=O)CC2S/C(=N\N=C\C=C\c3ccccc3)NC2=O)cc1 ZINC000006508512 557705905 /nfs/dbraw/zinc/70/59/05/557705905.db2.gz IOVYOQAVDQLIOL-WNXJXSQZSA-N 0 2 422.510 3.701 50 30 HHEALN CCOc1ccc(NC(=O)C[C@H]2S/C(=N\N=C\C=C\c3ccccc3)NC2=O)cc1 ZINC000006508512 557705911 /nfs/dbraw/zinc/70/59/11/557705911.db2.gz IOVYOQAVDQLIOL-WNXJXSQZSA-N 0 2 422.510 3.701 50 30 HHEALN O=C(CC1S/C(=N/c2ccccc2)NC1=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000013894210 558600174 /nfs/dbraw/zinc/60/01/74/558600174.db2.gz IBCIPHOSUQKYNT-MRVPVSSYSA-N 0 2 415.343 3.630 50 30 HHEALN O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000013894210 558600181 /nfs/dbraw/zinc/60/01/81/558600181.db2.gz IBCIPHOSUQKYNT-MRVPVSSYSA-N 0 2 415.343 3.630 50 30 HHEALN Cc1cc(N=NCc2ccccc2)nc(NS(=O)(=O)c2ccccc2Cl)n1 ZINC000004817076 559115253 /nfs/dbraw/zinc/11/52/53/559115253.db2.gz RDSZSUMJMOBTIS-UDWIEESQSA-N 0 2 401.879 3.685 50 30 HHEALN Cn1cc(S(=O)(=O)NC(=O)c2cccc(F)c2Br)c2ccccc21 ZINC000328591048 559166397 /nfs/dbraw/zinc/16/63/97/559166397.db2.gz TYDOOKIOHPNCTH-UHFFFAOYSA-N 0 2 411.252 3.773 50 30 HHEALN CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2)s1 ZINC000100684309 559256244 /nfs/dbraw/zinc/25/62/44/559256244.db2.gz LUOWHAFXHGSPLV-WOJGMQOQSA-N 0 2 417.472 3.560 50 30 HHEALN CCc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)c(C#N)c(=O)[nH]1 ZINC000005238302 560548853 /nfs/dbraw/zinc/54/88/53/560548853.db2.gz PAWUSLVYQYSTCH-UHFFFAOYSA-N 0 2 404.495 3.910 50 30 HHEALN O=C(CC1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000002631079 560586388 /nfs/dbraw/zinc/58/63/88/560586388.db2.gz MAUABEBDTGGTLU-MRXNPFEDSA-N 0 2 421.444 3.864 50 30 HHEALN O=C(C[C@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000002631079 560586389 /nfs/dbraw/zinc/58/63/89/560586389.db2.gz MAUABEBDTGGTLU-MRXNPFEDSA-N 0 2 421.444 3.864 50 30 HHEALN CC(C)C/N=C1\NC(=O)C(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S1 ZINC000005861224 560628405 /nfs/dbraw/zinc/62/84/05/560628405.db2.gz LIAFHKMNQAJMFP-LBPRGKRZSA-N 0 2 407.845 3.931 50 30 HHEALN CC(C)C/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S1 ZINC000005861224 560628407 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30 HHEALN O=C(Nc1ncc([N+](=O)[O-])s1)c1cc(Br)cc(Br)c1O ZINC000004014201 568933625 /nfs/dbraw/zinc/93/36/25/568933625.db2.gz LKIXPOQOHPIKJE-UHFFFAOYSA-N 0 2 423.042 3.918 50 30 HHEALN N#Cc1c(=O)[nH]c(SCC(=O)N2CCCc3ccccc32)nc1-c1ccccc1 ZINC000000796575 132232950 /nfs/dbraw/zinc/23/29/50/132232950.db2.gz LOLFTDFVMJTAPD-UHFFFAOYSA-N 0 2 402.479 3.792 50 30 HHEALN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3C)N(C)C2=O)c(OC)c1 ZINC000103834780 524519330 /nfs/dbraw/zinc/51/93/30/524519330.db2.gz WQOPMWUNGVDICX-NKWDDMGQSA-N 0 2 413.499 3.602 50 30 HHEALN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3C)N(C)C2=O)c(OC)c1 ZINC000103834780 524519340 /nfs/dbraw/zinc/51/93/40/524519340.db2.gz WQOPMWUNGVDICX-NKWDDMGQSA-N 0 2 413.499 3.602 50 30 HHEALN O=C(CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 ZINC000004279929 557535507 /nfs/dbraw/zinc/53/55/07/557535507.db2.gz YHABUFQCOSLQNU-CWSMFDFKSA-N 0 2 412.902 3.955 50 30 HHEALN O=C(C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 ZINC000004279929 557535508 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412.566 3.641 50 30 HHEALN COc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)c(C#N)c(=O)[nH]1 ZINC000009042108 571215206 /nfs/dbraw/zinc/21/52/06/571215206.db2.gz SYKHCFXRZWACQP-CQSZACIVSA-N 0 2 420.494 3.745 50 30 HHEALN C=CCN1c2cc(NS(=O)(=O)c3ccccc3F)ccc2OCC(C)(C)C1=O ZINC000009171069 571233930 /nfs/dbraw/zinc/23/39/30/571233930.db2.gz NDVXIBRUOJWBOM-UHFFFAOYSA-N 0 2 404.463 3.564 50 30 HHEALN C=CCn1c(SCc2nc(=O)c3sccc3[nH]2)nc2sc(CC)cc2c1=O ZINC000009254454 571243145 /nfs/dbraw/zinc/24/31/45/571243145.db2.gz MSUKWRZRDZSNRE-UHFFFAOYSA-N 0 2 416.553 3.797 50 30 HHEALN O=C(CC1S/C(=N\C2CCCCC2)NC1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012995519 962358905 /nfs/dbraw/zinc/35/89/05/962358905.db2.gz YOXXDNNKXWJIFK-CQSZACIVSA-N 0 2 415.437 3.834 50 30 HHEALN C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)Cc3ccccc3Cl)cc2[nH]c1=S ZINC000040112081 519197325 /nfs/dbraw/zinc/19/73/25/519197325.db2.gz UDVFOVPNPLUOAO-CYBMUJFWSA-N 0 2 413.930 3.886 50 30 HHEALN CCc1nc2sc3c(c2c(=O)n1/N=C/c1cc(C)cc([N+](=O)[O-])c1O)CCCC3 ZINC000036186917 522538551 /nfs/dbraw/zinc/53/85/51/522538551.db2.gz PRJUCHHZZWWZQT-UFFVCSGVSA-N 0 2 412.471 3.704 50 30 HHEALN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2F)s1 ZINC000004427695 557554586 /nfs/dbraw/zinc/55/45/86/557554586.db2.gz MYOQEGNZTKUOQK-CQSZACIVSA-N 0 2 401.444 3.830 50 30 HHEALN CSc1cccc(NC(=O)CC2S/C(=N/c3ccc(F)c(F)c3)NC2=O)c1 ZINC000004709211 557585654 /nfs/dbraw/zinc/58/56/54/557585654.db2.gz OJFSDNFJYSWHKH-HNNXBMFYSA-N 0 2 407.467 3.935 50 30 HHEALN CSc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)c(F)c3)NC2=O)c1 ZINC000004709211 557585656 /nfs/dbraw/zinc/58/56/56/557585656.db2.gz OJFSDNFJYSWHKH-HNNXBMFYSA-N 0 2 407.467 3.935 50 30 HHEALN Cc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccccc3C(F)(F)F)S2)o1 ZINC000015768110 558752036 /nfs/dbraw/zinc/75/20/36/558752036.db2.gz UHOLHKMPEYMFKB-BMZJSHLCSA-N 0 2 424.404 3.557 50 30 HHEALN Cc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)S2)o1 ZINC000015768110 558752039 /nfs/dbraw/zinc/75/20/39/558752039.db2.gz UHOLHKMPEYMFKB-BMZJSHLCSA-N 0 2 424.404 3.557 50 30 HHEALN CC1=C/C(=N\N=C2\NC(=O)C(CC(=O)Nc3ccc(F)cc3)S2)CC(C)(C)C1 ZINC000017242386 558826082 /nfs/dbraw/zinc/82/60/82/558826082.db2.gz XFPMSOCIFROCLU-DTVDJLOLSA-N 0 2 402.495 3.864 50 30 HHEALN CC1=C/C(=N\N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S2)CC(C)(C)C1 ZINC000017242386 558826086 /nfs/dbraw/zinc/82/60/86/558826086.db2.gz XFPMSOCIFROCLU-DTVDJLOLSA-N 0 2 402.495 3.864 50 30 HHEALN COc1ccc(NS(=O)(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)nn1 ZINC000004732538 559033237 /nfs/dbraw/zinc/03/32/37/559033237.db2.gz UGAXVQOOBMCIFO-CIAFOILYSA-N 0 2 407.455 3.518 50 30 HHEALN N#Cc1ccccc1OCC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000014236236 559161236 /nfs/dbraw/zinc/16/12/36/559161236.db2.gz GYPUALXXQIQRCF-UHFFFAOYSA-N 0 2 411.259 3.583 50 30 HHEALN COC(=O)CC1S/C(=N/Cc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000005274659 560561522 /nfs/dbraw/zinc/56/15/22/560561522.db2.gz IERKXVZIPMOLDU-XUKXGFMLSA-N 0 2 421.522 3.774 50 30 HHEALN COC(=O)C[C@@H]1S/C(=N/Cc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000005274659 560561523 /nfs/dbraw/zinc/56/15/23/560561523.db2.gz IERKXVZIPMOLDU-XUKXGFMLSA-N 0 2 421.522 3.774 50 30 HHEALN CC(=O)c1cccc(NC(=O)CC2SC(=NN=C3CCCCCC3)NC2=O)c1 ZINC000005444087 560626354 /nfs/dbraw/zinc/62/63/54/560626354.db2.gz ZRWGICKPLPXMHG-QGZVFWFLSA-N 0 2 400.504 3.516 50 30 HHEALN CC(=O)c1cccc(NC(=O)C[C@H]2SC(=NN=C3CCCCCC3)NC2=O)c1 ZINC000005444087 560626356 /nfs/dbraw/zinc/62/63/56/560626356.db2.gz ZRWGICKPLPXMHG-QGZVFWFLSA-N 0 2 400.504 3.516 50 30 HHEALN O=C(CC1S/C(=N\N=C\c2ccco2)NC1=O)Nc1cccc(Cl)c1Cl ZINC000013142048 560802404 /nfs/dbraw/zinc/80/24/04/560802404.db2.gz DWAGVSGJBODARQ-KEGHGJGQSA-N 0 2 411.270 3.537 50 30 HHEALN O=C(C[C@@H]1S/C(=N\N=C\c2ccco2)NC1=O)Nc1cccc(Cl)c1Cl ZINC000013142048 560802406 /nfs/dbraw/zinc/80/24/06/560802406.db2.gz DWAGVSGJBODARQ-KEGHGJGQSA-N 0 2 411.270 3.537 50 30 HHEALN CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccco2)s1 ZINC000102738952 560824782 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CCOc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000008654662 571098898 /nfs/dbraw/zinc/09/88/98/571098898.db2.gz RXCDPCNEXSCJHL-CQSZACIVSA-N 0 2 420.494 3.827 50 30 HHEALN CNC(=O)CC1SC(=Nc2ccc(F)cc2F)N(Cc2sccc2C)C1=O ZINC000254304389 970569721 /nfs/dbraw/zinc/56/97/21/970569721.db2.gz UBCYBYGGPXPHPE-AWEZNQCLSA-N 0 2 409.483 3.603 50 30 HHEALN CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2sccc2C)C1=O ZINC000254304389 970569736 /nfs/dbraw/zinc/56/97/36/970569736.db2.gz UBCYBYGGPXPHPE-AWEZNQCLSA-N 0 2 409.483 3.603 50 30 HHEALN Cc1nn2c(nc(=O)c3c2NC2=C(C(=O)C[C@@H](c4ccccc4)C2)[C@H]3c2ccccc2)[nH]1 ZINC000013576357 558543585 /nfs/dbraw/zinc/54/35/85/558543585.db2.gz QYVJWBHZUYOTJE-FXAWDEMLSA-N 0 2 423.476 3.684 50 30 HHEALN CCOC(=O)c1csc(NNC(=CC(=O)c2ccc(OC)cc2)C(F)(F)F)n1 ZINC000004478103 558597096 /nfs/dbraw/zinc/59/70/96/558597096.db2.gz UQAQNSXGMAWMRQ-HMAPJEAMSA-N 0 2 415.393 3.932 50 30 HHEALN O=C1Nc2ccccc2/C1=N/N=C/c1cc(Br)c(O)c(Br)c1 ZINC000016524104 558795187 /nfs/dbraw/zinc/79/51/87/558795187.db2.gz WPUZOTSRLANZQW-CNHKJKLMSA-N 0 2 423.064 3.693 50 30 HHEALN COc1ccc(NN=C2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000018324105 560819929 /nfs/dbraw/zinc/81/99/29/560819929.db2.gz VRJWATSYIFCBDG-DARPEHSRSA-N 0 2 415.409 3.822 50 30 HHEALN C=CCSc1nnc2c(n1)O[C@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000012343943 568994725 /nfs/dbraw/zinc/99/47/25/568994725.db2.gz PQNBKZNBWRDGOQ-QGZVFWFLSA-N 0 2 409.427 3.934 50 30 HHEALN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(OCC)c1O ZINC000014011183 569001207 /nfs/dbraw/zinc/00/12/07/569001207.db2.gz WQHNERUPMMQEMA-PDGQHHTCSA-N 0 2 420.465 3.803 50 30 HHEALN O=C(CC1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000008914870 571150640 /nfs/dbraw/zinc/15/06/40/571150640.db2.gz ZPOJBGCBODUNDK-SBUZPKSBSA-N 0 2 421.309 3.944 50 30 HHEALN O=C(C[C@H]1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000008914870 571150642 /nfs/dbraw/zinc/15/06/42/571150642.db2.gz ZPOJBGCBODUNDK-SBUZPKSBSA-N 0 2 421.309 3.944 50 30 HHEALN COc1ccccc1C/N=C1\NC(=O)C(CC(=O)Nc2ccc(F)c(Cl)c2)S1 ZINC000002646355 960472556 /nfs/dbraw/zinc/47/25/56/960472556.db2.gz GKHQLHWCYOGLLZ-INIZCTEOSA-N 0 2 421.881 3.604 50 30 HHEALN O=C(CC1S/C(=N/c2ccccc2)NC1=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000009724144 527143869 /nfs/dbraw/zinc/14/38/69/527143869.db2.gz IBCIPHOSUQKYNT-QMMMGPOBSA-N 0 2 415.343 3.630 50 30 HHEALN O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000009724144 527143884 /nfs/dbraw/zinc/14/38/84/527143884.db2.gz IBCIPHOSUQKYNT-QMMMGPOBSA-N 0 2 415.343 3.630 50 30 HHEALN CCCCN1C(=O)[C@@H](CC(=O)NCC)S/C1=N\c1cc(Cl)c(O)c(Cl)c1 ZINC000004699882 557583447 /nfs/dbraw/zinc/58/34/47/557583447.db2.gz RLMKVECREWSIOY-PWNVGIJBSA-N 0 2 418.346 3.957 50 30 HHEALN CC(=O)c1cccc(NC(=O)CC2SC(=NN=CC=Cc3ccccc3)NC2=O)c1 ZINC000012380240 558393127 /nfs/dbraw/zinc/39/31/27/558393127.db2.gz IXUZHZCBNKDGNG-BJMSMIBVSA-N 0 2 420.494 3.505 50 30 HHEALN CC(=O)c1cccc(NC(=O)C[C@@H]2SC(=NN=CC=Cc3ccccc3)NC2=O)c1 ZINC000012380240 558393130 /nfs/dbraw/zinc/39/31/30/558393130.db2.gz IXUZHZCBNKDGNG-BJMSMIBVSA-N 0 2 420.494 3.505 50 30 HHEALN O=C(CC1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000014134966 558624089 /nfs/dbraw/zinc/62/40/89/558624089.db2.gz LYXOJXJGIJAVQQ-QHBIDGPYSA-N 0 2 420.416 3.656 50 30 HHEALN O=C(C[C@H]1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000014134966 558624091 /nfs/dbraw/zinc/62/40/91/558624091.db2.gz LYXOJXJGIJAVQQ-QHBIDGPYSA-N 0 2 420.416 3.656 50 30 HHEALN Cc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccccc3C(F)(F)F)S2)o1 ZINC000015768107 558752024 /nfs/dbraw/zinc/75/20/24/558752024.db2.gz UHOLHKMPEYMFKB-DKNGMTOASA-N 0 2 424.404 3.557 50 30 HHEALN Cc1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)Nc3ccccc3C(F)(F)F)S2)o1 ZINC000015768107 558752027 /nfs/dbraw/zinc/75/20/27/558752027.db2.gz UHOLHKMPEYMFKB-DKNGMTOASA-N 0 2 424.404 3.557 50 30 HHEALN CC(=O)c1cccc(NC(=O)CC2SC(=NN=C3CCCCCC3)NC2=O)c1 ZINC000005444088 560626303 /nfs/dbraw/zinc/62/63/03/560626303.db2.gz ZRWGICKPLPXMHG-KRWDZBQOSA-N 0 2 400.504 3.516 50 30 HHEALN CC(=O)c1cccc(NC(=O)C[C@@H]2SC(=NN=C3CCCCCC3)NC2=O)c1 ZINC000005444088 560626304 /nfs/dbraw/zinc/62/63/04/560626304.db2.gz ZRWGICKPLPXMHG-KRWDZBQOSA-N 0 2 400.504 3.516 50 30 HHEALN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000002821561 560732358 /nfs/dbraw/zinc/73/23/58/560732358.db2.gz KXPDTKVGYHQMPG-NTEUORMPSA-N 0 2 415.232 3.672 50 30 HHEALN C=CCn1c(=O)[nH]c(O)c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c1=O ZINC000101239082 560789496 /nfs/dbraw/zinc/78/94/96/560789496.db2.gz ZAVKPCSDWOKQFP-SFHVURJKSA-N 0 2 405.479 3.786 50 30 HHEALN C=CCn1c(O)c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000101239082 560789498 /nfs/dbraw/zinc/78/94/98/560789498.db2.gz ZAVKPCSDWOKQFP-SFHVURJKSA-N 0 2 405.479 3.786 50 30 HHEALN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)s1 ZINC000102435361 560811159 /nfs/dbraw/zinc/81/11/59/560811159.db2.gz AMFZJCHVEXGWJT-IBOXJLQUSA-N 0 2 413.405 3.751 50 30 HHEALN COc1ccc(Cl)cc1NC(=O)CC1S/C(=N/C2CCCCC2)N(C)C1=O ZINC000108641318 568419213 /nfs/dbraw/zinc/41/92/13/568419213.db2.gz NTUZNLWQVXMXGE-QQMHEVNUSA-N 0 2 409.939 3.940 50 30 HHEALN COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N/C2CCCCC2)N(C)C1=O ZINC000108641318 568419215 /nfs/dbraw/zinc/41/92/15/568419215.db2.gz NTUZNLWQVXMXGE-QQMHEVNUSA-N 0 2 409.939 3.940 50 30 HHEALN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000002908228 568509983 /nfs/dbraw/zinc/50/99/83/568509983.db2.gz BTYMICVOIFACAE-LFIBNONCSA-N 0 2 412.829 3.580 50 30 HHEALN CC[C@@H](CC#N)NC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000225521673 568646606 /nfs/dbraw/zinc/64/66/06/568646606.db2.gz SZKAZJTVTKJDBT-AWEZNQCLSA-N 0 2 404.467 3.749 50 30 HHEALN CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 ZINC000002879040 568813951 /nfs/dbraw/zinc/81/39/51/568813951.db2.gz GGJKENJYMWXPFZ-UHFFFAOYSA-N 0 2 404.451 3.654 50 30 HHEALN C=CCn1c(=O)[nH]c(O)c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c1=O ZINC000015670687 568961762 /nfs/dbraw/zinc/96/17/62/568961762.db2.gz ISMHKEPOGRVRFQ-INIZCTEOSA-N 0 2 411.508 3.848 50 30 HHEALN C=CCn1c(O)c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c(=O)[nH]c1=O ZINC000015670687 568961764 /nfs/dbraw/zinc/96/17/64/568961764.db2.gz ISMHKEPOGRVRFQ-INIZCTEOSA-N 0 2 411.508 3.848 50 30 HHEALN C=CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc1OC ZINC000015769234 568997391 /nfs/dbraw/zinc/99/73/91/568997391.db2.gz NYVHDKHTZJTZHU-DHDCSXOGSA-N 0 2 402.809 3.514 50 30 HHEALN CCc1ccccc1/N=C1\SC(CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000004916042 569071640 /nfs/dbraw/zinc/07/16/40/569071640.db2.gz IGWUDWXTFFAUMN-WXVFVKJXSA-N 0 2 412.471 3.747 50 30 HHEALN CCc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000004916042 569071641 /nfs/dbraw/zinc/07/16/41/569071641.db2.gz IGWUDWXTFFAUMN-WXVFVKJXSA-N 0 2 412.471 3.747 50 30 HHEALN CC(C)c1ccc(C=NN[C@H]2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 ZINC000252644073 569318934 /nfs/dbraw/zinc/31/89/34/569318934.db2.gz ZYPQPOKZCRAFFL-MIUJOZRMSA-N 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HHEALN O=C(C[C@H]1S/C(=N\N=C\c2ccco2)NC1=O)Nc1cccc(Cl)c1Cl ZINC000013142050 560802483 /nfs/dbraw/zinc/80/24/83/560802483.db2.gz DWAGVSGJBODARQ-OZOTYFBYSA-N 0 2 411.270 3.537 50 30 HHEALN COCCN1C(=O)C(=O)C(=C(O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C)cc1 ZINC000102885269 560834065 /nfs/dbraw/zinc/83/40/65/560834065.db2.gz NOKXQQWJXVDIHP-JBCNATCCSA-N 0 2 409.482 3.850 50 30 HHEALN Cc1csc(C(C#N)C(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)n1 ZINC000008324358 568990902 /nfs/dbraw/zinc/99/09/02/568990902.db2.gz YXJBFLWXPIRSTF-OAHLLOKOSA-N 0 2 412.540 3.786 50 30 HHEALN Cc1csc([C@H](C#N)C(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)n1 ZINC000008324358 568990903 /nfs/dbraw/zinc/99/09/03/568990903.db2.gz YXJBFLWXPIRSTF-OAHLLOKOSA-N 0 2 412.540 3.786 50 30 HHEALN CC(=O)OCC[C@@H]1S/C(=N/N=Cc2c3ccccc3[nH]c2-c2ccccc2)NC1=O ZINC000254625016 970576790 /nfs/dbraw/zinc/57/67/90/970576790.db2.gz WGYDORQHYKEMHZ-IBGZPJMESA-N 0 2 420.494 3.710 50 30 HHEALN C=CCCOc1ccc(-c2nnc(CCC(=O)NCC3CCCCC3)c(=O)[nH]2)cc1 ZINC000034764293 518708701 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COc1ccc(Cl)cc1NC(=O)CC1S/C(=N\C2CCCCC2)N(C)C1=O ZINC000005127750 559248950 /nfs/dbraw/zinc/24/89/50/559248950.db2.gz NTUZNLWQVXMXGE-BSBNDGSWSA-N 0 2 409.939 3.940 50 30 HHEALN COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\C2CCCCC2)N(C)C1=O ZINC000005127750 559248953 /nfs/dbraw/zinc/24/89/53/559248953.db2.gz NTUZNLWQVXMXGE-BSBNDGSWSA-N 0 2 409.939 3.940 50 30 HHEALN CC(C)C/N=C1\NC(=O)C(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S1 ZINC000005861229 560628394 /nfs/dbraw/zinc/62/83/94/560628394.db2.gz LIAFHKMNQAJMFP-GFCCVEGCSA-N 0 2 407.845 3.931 50 30 HHEALN CC(C)C/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S1 ZINC000005861229 560628398 /nfs/dbraw/zinc/62/83/98/560628398.db2.gz LIAFHKMNQAJMFP-GFCCVEGCSA-N 0 2 407.845 3.931 50 30 HHEALN O=C1C(=NNc2ccc(O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 ZINC000018105415 560775814 /nfs/dbraw/zinc/77/58/14/560775814.db2.gz IZOMUFOHTMFGDL-BSYVCWPDSA-N 0 2 401.382 3.519 50 30 HHEALN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2F)s1 ZINC000102585824 560817102 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HHEALN C=CCOc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(F)cc2)C1=O ZINC000002817143 960474359 /nfs/dbraw/zinc/47/43/59/960474359.db2.gz BIXYEOHHBGGQHO-WJDWOHSUSA-N 0 2 417.234 3.614 50 30 HHEALN CCOc1ccc(N=C2SC(C)C(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000254743630 970578479 /nfs/dbraw/zinc/57/84/79/970578479.db2.gz AIQOROMRQZDHBU-CQSZACIVSA-N 0 2 404.513 3.734 50 30 HHEALN Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000009493462 132340416 /nfs/dbraw/zinc/34/04/16/132340416.db2.gz ZSUPCSNIJSROSQ-FYJGNVAPSA-N 0 2 424.460 3.941 50 30 HHEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccccc2)S1)c1ccc([N+](=O)[O-])cc1 ZINC000005101242 557635515 /nfs/dbraw/zinc/63/55/15/557635515.db2.gz YELHSMJISFLNCU-LTNVFZTJSA-N 0 2 411.443 3.776 50 30 HHEALN CC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2)S1)c1ccc([N+](=O)[O-])cc1 ZINC000005101242 557635518 /nfs/dbraw/zinc/63/55/18/557635518.db2.gz YELHSMJISFLNCU-LTNVFZTJSA-N 0 2 411.443 3.776 50 30 HHEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2cc(Cl)ccc2Cl)S1)C(C)C ZINC000005101395 557635739 /nfs/dbraw/zinc/63/57/39/557635739.db2.gz XMOOASVKWYVCOB-FCQRQVBFSA-N 0 2 401.319 3.942 50 30 HHEALN C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1)C(C)C ZINC000005101395 557635742 /nfs/dbraw/zinc/63/57/42/557635742.db2.gz XMOOASVKWYVCOB-FCQRQVBFSA-N 0 2 401.319 3.942 50 30 HHEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccccc2F)S1)c1ccc(Cl)cc1 ZINC000012343015 558386306 /nfs/dbraw/zinc/38/63/06/558386306.db2.gz HEPOPIORXVDNAP-PZLKWIMZSA-N 0 2 418.881 3.820 50 30 HHEALN C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2F)S1)c1ccc(Cl)cc1 ZINC000012343015 558386310 /nfs/dbraw/zinc/38/63/10/558386310.db2.gz HEPOPIORXVDNAP-PZLKWIMZSA-N 0 2 418.881 3.820 50 30 HHEALN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000013570896 558542213 /nfs/dbraw/zinc/54/22/13/558542213.db2.gz VDQYRVSNSLXGDO-AWEZNQCLSA-N 0 2 401.831 3.876 50 30 HHEALN COc1cc(C=NN=c2[nH]c3ccccc3o2)cc(I)c1O ZINC000004587637 558786666 /nfs/dbraw/zinc/78/66/66/558786666.db2.gz KHBTWMGNTNRBIO-CAOOACKPSA-N 0 2 409.183 3.593 50 30 HHEALN COc1cc(C=NNc2nc3ccccc3o2)cc(I)c1O ZINC000004587637 558786669 /nfs/dbraw/zinc/78/66/69/558786669.db2.gz KHBTWMGNTNRBIO-CAOOACKPSA-N 0 2 409.183 3.593 50 30 HHEALN CC(C)/N=C1\SC(CC(=O)Nc2ccc(Br)cc2)C(=O)N1C(C)C ZINC000101772062 559147978 /nfs/dbraw/zinc/14/79/78/559147978.db2.gz QWWDSPZAGYFQRS-STGLLQLASA-N 0 2 412.353 3.895 50 30 HHEALN CC(C)/N=C1\S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C(C)C ZINC000101772062 559147980 /nfs/dbraw/zinc/14/79/80/559147980.db2.gz QWWDSPZAGYFQRS-STGLLQLASA-N 0 2 412.353 3.895 50 30 HHEALN CC(C)/N=C1\SC(CC(=O)Nc2ccc(Br)cc2)C(=O)N1C(C)C ZINC000101772065 559148000 /nfs/dbraw/zinc/14/80/00/559148000.db2.gz QWWDSPZAGYFQRS-RMYFCYLKSA-N 0 2 412.353 3.895 50 30 HHEALN CC(C)/N=C1\S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C(C)C ZINC000101772065 559148001 /nfs/dbraw/zinc/14/80/01/559148001.db2.gz QWWDSPZAGYFQRS-RMYFCYLKSA-N 0 2 412.353 3.895 50 30 HHEALN COc1ccc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Cl)cc3)cc2)nn1 ZINC000100364338 559196632 /nfs/dbraw/zinc/19/66/32/559196632.db2.gz UKXAQDIEKBRQOS-UDWIEESQSA-N 0 2 402.863 3.690 50 30 HHEALN COCCN1C(=O)C(=O)C(=C(O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Cl)cc1 ZINC000102518913 560815457 /nfs/dbraw/zinc/81/54/57/560815457.db2.gz SXGQKFBDHIBAQF-WOOAAIBNSA-N 0 2 415.873 3.725 50 30 HHEALN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2csc(-c3ccco3)n2)C1=O ZINC000102931844 560835615 /nfs/dbraw/zinc/83/56/15/560835615.db2.gz ZEZFBRUBTXZLNG-LJQANCHMSA-N 0 2 404.492 3.719 50 30 HHEALN C#CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000013570305 569000336 /nfs/dbraw/zinc/00/03/36/569000336.db2.gz STQRRBMMTROHPD-LDADJPATSA-N 0 2 403.825 3.594 50 30 HHEALN C=CCn1c(=O)c2ccc(C(=O)NCCSCc3ccccc3)cc2[nH]c1=S ZINC000003631294 569321267 /nfs/dbraw/zinc/32/12/67/569321267.db2.gz QIHDROZZLFYNTD-UHFFFAOYSA-N 0 2 411.552 3.908 50 30 HHEALN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)Cc3cccc(Cl)c3)cc2[nH]c1=S ZINC000040113049 519198374 /nfs/dbraw/zinc/19/83/74/519198374.db2.gz ZMVMQZYUHLRTRL-ZDUSSCGKSA-N 0 2 413.930 3.886 50 30 HHEALN O=C(CC1S/C(=N\N=C2CCCCC2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000005998310 557683631 /nfs/dbraw/zinc/68/36/31/557683631.db2.gz SFZKIXPPGWOVPF-CQSZACIVSA-N 0 2 412.437 3.942 50 30 HHEALN O=C(C[C@H]1S/C(=N\N=C2CCCCC2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000005998310 557683636 /nfs/dbraw/zinc/68/36/36/557683636.db2.gz SFZKIXPPGWOVPF-CQSZACIVSA-N 0 2 412.437 3.942 50 30 HHEALN COc1ccc(NN=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000006924767 557730235 /nfs/dbraw/zinc/73/02/35/557730235.db2.gz WZIRURYQKSQBNF-FLFQWRMESA-N 0 2 415.409 3.822 50 30 HHEALN CC(C)(C)NC(=S)NN=Cc1cc(Br)c(O)c(Br)c1 ZINC000013657876 558559309 /nfs/dbraw/zinc/55/93/09/558559309.db2.gz KTCZPVMDPQRDKL-GIDUJCDVSA-N 0 2 409.147 3.925 50 30 HHEALN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3Cl)NC2=O)c(OC)c1 ZINC000017085389 558816017 /nfs/dbraw/zinc/81/60/17/558816017.db2.gz CXJMGDXIIPGFTF-MRXNPFEDSA-N 0 2 419.890 3.605 50 30 HHEALN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3Cl)NC2=O)c(OC)c1 ZINC000017085389 558816019 /nfs/dbraw/zinc/81/60/19/558816019.db2.gz CXJMGDXIIPGFTF-MRXNPFEDSA-N 0 2 419.890 3.605 50 30 HHEALN C=CCn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000004703307 558912952 /nfs/dbraw/zinc/91/29/52/558912952.db2.gz ICWLXBFIXMKWCM-CPNJWEJPSA-N 0 2 403.413 3.941 50 30 HHEALN COC(=O)CC1S/C(=N/c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000101379704 560793673 /nfs/dbraw/zinc/79/36/73/560793673.db2.gz LLULJQBNXBPTLA-RSTPCFTMSA-N 0 2 407.495 3.905 50 30 HHEALN COCCN1C(=O)C(=O)C(=C(O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1 ZINC000102522764 560816028 /nfs/dbraw/zinc/81/60/28/560816028.db2.gz BMBFIMSBPSKEFI-LFVOPCPISA-N 0 2 415.873 3.725 50 30 HHEALN Cc1ccc([C@@H](C)NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1C ZINC000031619517 568928580 /nfs/dbraw/zinc/92/85/80/568928580.db2.gz JGJDAHZXZHTXJW-MRXNPFEDSA-N 0 2 418.522 3.895 50 30 HHEALN O=C([O-])c1ccccc1N[NH+]=Cc1ccc(C=[NH+]Nc2ccccc2C(=O)[O-])cc1 ZINC000004015945 568933505 /nfs/dbraw/zinc/93/35/05/568933505.db2.gz XGCZSTRPELYXMO-RNIAWFEPSA-N 0 2 402.410 3.975 50 30 HHEALN CC[N@H+](CC(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1)Cc1ccc(Cl)cc1 ZINC000084777447 568959211 /nfs/dbraw/zinc/95/92/11/568959211.db2.gz JLIPORZYPUEQFU-UHFFFAOYSA-N 0 2 408.907 3.710 50 30 HHEALN CC[N@@H+](CC(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1)Cc1ccc(Cl)cc1 ZINC000084777447 568959213 /nfs/dbraw/zinc/95/92/13/568959213.db2.gz JLIPORZYPUEQFU-UHFFFAOYSA-N 0 2 408.907 3.710 50 30 HHEALN CCN(CC)c1nc(N=NCc2ccc(O)c([N+](=O)[O-])c2)nc(Nc2ccccc2)n1 ZINC000036020251 520928214 /nfs/dbraw/zinc/92/82/14/520928214.db2.gz PDVOAFIEXJQDIY-FYJGNVAPSA-N 0 2 422.449 3.521 50 30 HHEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccccc2[N+](=O)[O-])S1)c1ccccc1 ZINC000006682048 557715048 /nfs/dbraw/zinc/71/50/48/557715048.db2.gz MMZDTUSIWQJACL-LTNVFZTJSA-N 0 2 411.443 3.776 50 30 HHEALN CC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])S1)c1ccccc1 ZINC000006682048 557715052 /nfs/dbraw/zinc/71/50/52/557715052.db2.gz MMZDTUSIWQJACL-LTNVFZTJSA-N 0 2 411.443 3.776 50 30 HHEALN Cc1nn2c(nc(=O)c3c2NC2=C(C(=O)C[C@H](c4ccccc4)C2)[C@H]3c2ccccc2)[nH]1 ZINC000013576354 558543653 /nfs/dbraw/zinc/54/36/53/558543653.db2.gz QYVJWBHZUYOTJE-YLJYHZDGSA-N 0 2 423.476 3.684 50 30 HHEALN Cc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccccc3)NC2=O)cc1Cl ZINC000014134971 558624143 /nfs/dbraw/zinc/62/41/43/558624143.db2.gz KVLPDDJKJJVZEM-XYHOIZSOSA-N 0 2 400.891 3.599 50 30 HHEALN Cc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C\c3ccccc3)NC2=O)cc1Cl ZINC000014134971 558624145 /nfs/dbraw/zinc/62/41/45/558624145.db2.gz KVLPDDJKJJVZEM-XYHOIZSOSA-N 0 2 400.891 3.599 50 30 HHEALN CCc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 ZINC000005238295 560548837 /nfs/dbraw/zinc/54/88/37/560548837.db2.gz MAMUMKMPDRVKHN-UHFFFAOYSA-N 0 2 404.495 3.910 50 30 HHEALN C=CCn1c(=O)c2ccc(C(=O)N(C)Cc3ccc(OCC)cc3)cc2[nH]c1=S ZINC000018074071 560774725 /nfs/dbraw/zinc/77/47/25/560774725.db2.gz SHFCIIGKAUDLBU-UHFFFAOYSA-N 0 2 409.511 3.542 50 30 HHEALN COCCN1C(=O)C(=O)C(=C(O)c2ccc(OC)cc2C)[C@H]1c1ccc(Cl)cc1 ZINC000102518920 560815694 /nfs/dbraw/zinc/81/56/94/560815694.db2.gz SXGQKFBDHIBAQF-LFVOPCPISA-N 0 2 415.873 3.725 50 30 HHEALN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000102929346 560834696 /nfs/dbraw/zinc/83/46/96/560834696.db2.gz LCLMGSPUFVLJKI-IBOXJLQUSA-N 0 2 407.407 3.678 50 30 HHEALN Cc1csc(C(C#N)C(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)n1 ZINC000008324356 568990918 /nfs/dbraw/zinc/99/09/18/568990918.db2.gz YXJBFLWXPIRSTF-HNNXBMFYSA-N 0 2 412.540 3.786 50 30 HHEALN Cc1csc([C@@H](C#N)C(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)n1 ZINC000008324356 568990920 /nfs/dbraw/zinc/99/09/20/568990920.db2.gz YXJBFLWXPIRSTF-HNNXBMFYSA-N 0 2 412.540 3.786 50 30 HHEALN C=CCN1c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2OCC(C)(C)C1=O ZINC000009167019 571232924 /nfs/dbraw/zinc/23/29/24/571232924.db2.gz UCRZXCWABNWNTK-UHFFFAOYSA-N 0 2 422.453 3.703 50 30 HHEALN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OCC ZINC000015722666 962850311 /nfs/dbraw/zinc/85/03/11/962850311.db2.gz PLZDZTUIRQTJFI-AQTBWJFISA-N 0 2 406.438 3.625 50 30 HHEALN O=C(C[C@@H]1S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O)NCc1ccccc1 ZINC000018077907 963262151 /nfs/dbraw/zinc/26/21/51/963262151.db2.gz WRMWRIUSHBCYOF-HNNXBMFYSA-N 0 2 407.417 3.631 50 30 HHEALN CC(=O)c1ccc(NC(=O)CC2SC(=NN=C3CCCCCC3)NC2=O)cc1 ZINC000006995623 518363726 /nfs/dbraw/zinc/36/37/26/518363726.db2.gz MKEWKYOSAHPCQY-KRWDZBQOSA-N 0 2 400.504 3.516 50 30 HHEALN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=NN=C3CCCCCC3)NC2=O)cc1 ZINC000006995623 518363739 /nfs/dbraw/zinc/36/37/39/518363739.db2.gz MKEWKYOSAHPCQY-KRWDZBQOSA-N 0 2 400.504 3.516 50 30 HHEALN CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000836126 557096448 /nfs/dbraw/zinc/09/64/48/557096448.db2.gz TYLKDVCGOAPAML-INIZCTEOSA-N 0 2 417.215 3.846 50 30 HHEALN CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000836121 557096496 /nfs/dbraw/zinc/09/64/96/557096496.db2.gz FJVQIMJEJXUNJW-MRXNPFEDSA-N 0 2 417.215 3.846 50 30 HHEALN COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(Br)cc2)c1 ZINC000001220780 557248469 /nfs/dbraw/zinc/24/84/69/557248469.db2.gz DETFQSRLQYWBCC-QGZVFWFLSA-N 0 2 402.244 3.947 50 30 HHEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(C)c(Cl)c2)S1)c1ccco1 ZINC000005102118 557635900 /nfs/dbraw/zinc/63/59/00/557635900.db2.gz MFVDDNNUVFKGSZ-URMYYVDKSA-N 0 2 404.879 3.582 50 30 HHEALN C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1)c1ccco1 ZINC000005102118 557635902 /nfs/dbraw/zinc/63/59/02/557635902.db2.gz MFVDDNNUVFKGSZ-URMYYVDKSA-N 0 2 404.879 3.582 50 30 HHEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S1)C(C)C ZINC000006357687 557700132 /nfs/dbraw/zinc/70/01/32/557700132.db2.gz CPAUPBHCRRHINU-FCQRQVBFSA-N 0 2 401.319 3.942 50 30 HHEALN C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)S1)C(C)C ZINC000006357687 557700134 /nfs/dbraw/zinc/70/01/34/557700134.db2.gz CPAUPBHCRRHINU-FCQRQVBFSA-N 0 2 401.319 3.942 50 30 HHEALN C=C(C)CNC(=S)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 ZINC000013597943 558547578 /nfs/dbraw/zinc/54/75/78/558547578.db2.gz HYZQZAZXEYBCKW-UHFFFAOYSA-N 0 2 413.528 3.704 50 30 HHEALN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3Cl)NC2=O)c(OC)c1 ZINC000017085388 558816046 /nfs/dbraw/zinc/81/60/46/558816046.db2.gz CXJMGDXIIPGFTF-INIZCTEOSA-N 0 2 419.890 3.605 50 30 HHEALN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3Cl)NC2=O)c(OC)c1 ZINC000017085388 558816048 /nfs/dbraw/zinc/81/60/48/558816048.db2.gz CXJMGDXIIPGFTF-INIZCTEOSA-N 0 2 419.890 3.605 50 30 HHEALN Cn1[nH]c(C(C)(C)C)c(C(c2c(C(C)(C)C)[nH]n(C)c2=O)c2ccc(C#N)cc2)c1=O ZINC000005292736 560562026 /nfs/dbraw/zinc/56/20/26/560562026.db2.gz HKCSVHGSJHIUFV-AYHJJNSGSA-N 0 2 421.545 3.622 50 30 HHEALN CC(C)(C)c1cc(Br)cc(C=Nc2cccc3c(=O)[nH][nH]c(=O)c23)c1O ZINC000013476075 560811013 /nfs/dbraw/zinc/81/10/13/560811013.db2.gz APYVMGBRQCZRFJ-ZVBGSRNCSA-N 0 2 416.275 3.733 50 30 HHEALN O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000102799596 560828250 /nfs/dbraw/zinc/82/82/50/560828250.db2.gz UVIQAHSJIHOTEH-IDTYTIONSA-N 0 2 415.833 3.957 50 30 HHEALN CC(C)c1ccc(C=NN[C@@H]2NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 ZINC000252643877 569318932 /nfs/dbraw/zinc/31/89/32/569318932.db2.gz ZYPQPOKZCRAFFL-IJYTVXAHSA-N 0 2 412.471 3.535 50 30 HHEALN CC(C)c1ccc(C=NN[C@H]2NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 ZINC000252644078 569318950 /nfs/dbraw/zinc/31/89/50/569318950.db2.gz ZYPQPOKZCRAFFL-PGGBYDNRSA-N 0 2 412.471 3.535 50 30 HHEALN CC(C)c1ccc(C=NN[C@@H]2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 ZINC000252644076 569318963 /nfs/dbraw/zinc/31/89/63/569318963.db2.gz ZYPQPOKZCRAFFL-OKSNFNSOSA-N 0 2 412.471 3.535 50 30 HHEALN Cc1nnc(S)n(N=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1=O ZINC000334159086 571050349 /nfs/dbraw/zinc/05/03/49/571050349.db2.gz QESSLWMNABZIFK-UHFFFAOYSA-N 0 2 409.902 3.774 50 30 HHEALN C=CCN1c2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc2OCC(C)(C)C1=O ZINC000009171056 571233812 /nfs/dbraw/zinc/23/38/12/571233812.db2.gz SRYYKOAXEFFKDC-UHFFFAOYSA-N 0 2 422.453 3.703 50 30 HHEALN COc1ccccc1C/N=C1\NC(=O)C(CC(=O)Nc2cccc3ccccc32)S1 ZINC000008488260 961547728 /nfs/dbraw/zinc/54/77/28/961547728.db2.gz ADDQJOQQSRLXJU-HXUWFJFHSA-N 0 2 419.506 3.965 50 30 HHEALN CCOc1ccc(N=C2SC(C)C(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095351690 969040479 /nfs/dbraw/zinc/04/04/79/969040479.db2.gz AIQOROMRQZDHBU-AWEZNQCLSA-N 0 2 404.513 3.734 50 30 HHEALN C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)Cc3cccc(Cl)c3)cc2[nH]c1=S ZINC000040113051 519198387 /nfs/dbraw/zinc/19/83/87/519198387.db2.gz ZMVMQZYUHLRTRL-CYBMUJFWSA-N 0 2 413.930 3.886 50 30 HHEALN Cc1csc(C(C#N)C(=O)CSc2nnc(COc3cccc(C)c3)o2)n1 ZINC000023326833 526428090 /nfs/dbraw/zinc/42/80/90/526428090.db2.gz BYFMTNVGXPJRPA-CQSZACIVSA-N 0 2 400.485 3.691 50 30 HHEALN Cc1csc([C@H](C#N)C(=O)CSc2nnc(COc3cccc(C)c3)o2)n1 ZINC000023326833 526428093 /nfs/dbraw/zinc/42/80/93/526428093.db2.gz BYFMTNVGXPJRPA-CQSZACIVSA-N 0 2 400.485 3.691 50 30 HHEALN O=C(CC1S/C(=N\N=C2CCCCC2)NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000005996358 557683684 /nfs/dbraw/zinc/68/36/84/557683684.db2.gz XGLKSAJRMYOGSJ-AWEZNQCLSA-N 0 2 412.437 3.942 50 30 HHEALN O=C(C[C@@H]1S/C(=N\N=C2CCCCC2)NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000005996358 557683687 /nfs/dbraw/zinc/68/36/87/557683687.db2.gz XGLKSAJRMYOGSJ-AWEZNQCLSA-N 0 2 412.437 3.942 50 30 HHEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccccc2[N+](=O)[O-])S1)c1ccccc1 ZINC000006682047 557714944 /nfs/dbraw/zinc/71/49/44/557714944.db2.gz MMZDTUSIWQJACL-BFTVFPACSA-N 0 2 411.443 3.776 50 30 HHEALN CC(=NN=C1NC(=O)[C@H](CC(=O)Nc2ccccc2[N+](=O)[O-])S1)c1ccccc1 ZINC000006682047 557714947 /nfs/dbraw/zinc/71/49/47/557714947.db2.gz MMZDTUSIWQJACL-BFTVFPACSA-N 0 2 411.443 3.776 50 30 HHEALN Cc1nn2c(nc(=O)c3c2NC2=C(C(=O)C[C@H](c4ccccc4)C2)[C@@H]3c2ccccc2)[nH]1 ZINC000013576351 558543628 /nfs/dbraw/zinc/54/36/28/558543628.db2.gz QYVJWBHZUYOTJE-XLIONFOSSA-N 0 2 423.476 3.684 50 30 HHEALN CC(=O)c1cccc(NC(=O)CC2SC(=NN=C3CCCCCCC3)NC2=O)c1 ZINC000015226071 558728760 /nfs/dbraw/zinc/72/87/60/558728760.db2.gz KIVQZZUNMZHRQS-GOSISDBHSA-N 0 2 414.531 3.906 50 30 HHEALN CC(=O)c1cccc(NC(=O)C[C@H]2SC(=NN=C3CCCCCCC3)NC2=O)c1 ZINC000015226071 558728761 /nfs/dbraw/zinc/72/87/61/558728761.db2.gz KIVQZZUNMZHRQS-GOSISDBHSA-N 0 2 414.531 3.906 50 30 HHEALN O=C(CC1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl ZINC000015768056 558752029 /nfs/dbraw/zinc/75/20/29/558752029.db2.gz BUMDBVVOBQKNEV-MNUWJXFPSA-N 0 2 421.309 3.944 50 30 HHEALN O=C(C[C@@H]1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl ZINC000015768056 558752031 /nfs/dbraw/zinc/75/20/31/558752031.db2.gz BUMDBVVOBQKNEV-MNUWJXFPSA-N 0 2 421.309 3.944 50 30 HHEALN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)s1 ZINC000102435369 560811178 /nfs/dbraw/zinc/81/11/78/560811178.db2.gz AMFZJCHVEXGWJT-UYTDBDHRSA-N 0 2 413.405 3.751 50 30 HHEALN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2csc(-c3ccco3)n2)C1=O ZINC000102931847 560835617 /nfs/dbraw/zinc/83/56/17/560835617.db2.gz ZEZFBRUBTXZLNG-IBGZPJMESA-N 0 2 404.492 3.719 50 30 HHEALN COCc1cc(C)nc(N=NCc2cc(Cl)c(O)c(Br)c2)c1C#N ZINC000096006213 568682636 /nfs/dbraw/zinc/68/26/36/568682636.db2.gz WNFJKCMZKFJCDU-SCDVKCJHSA-N 0 2 409.671 3.976 50 30 HHEALN C=CCN1c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2OCC(C)(C)C1=O ZINC000009166771 571232875 /nfs/dbraw/zinc/23/28/75/571232875.db2.gz ZKEMPOQZUJDLQQ-UHFFFAOYSA-N 0 2 422.453 3.703 50 30 HHEALN O=C(CC1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012746653 962324198 /nfs/dbraw/zinc/32/41/98/962324198.db2.gz KQFHURZZNKVJAH-OAHLLOKOSA-N 0 2 423.416 3.702 50 30 HHEALN Cc1cc(O)c(C(=O)C=Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)c(=O)o1 ZINC000022344478 520852423 /nfs/dbraw/zinc/85/24/23/520852423.db2.gz JBGJDJZKSQNMJN-YQNAPEKISA-N 0 2 422.277 3.787 50 30 HHEALN O=C(CC1S/C(=N\N=C\c2ccco2)NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001213379 557244632 /nfs/dbraw/zinc/24/46/32/557244632.db2.gz BYFFONXUNORYNC-KMDAILJESA-N 0 2 411.270 3.537 50 30 HHEALN O=C(C[C@H]1S/C(=N\N=C\c2ccco2)NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001213379 557244636 /nfs/dbraw/zinc/24/46/36/557244636.db2.gz BYFFONXUNORYNC-KMDAILJESA-N 0 2 411.270 3.537 50 30 HHEALN CCc1ccc([C@@H]2c3c(=O)nc4[nH]c(C)nn4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004386164 557549959 /nfs/dbraw/zinc/54/99/59/557549959.db2.gz HZHKNLOXOFJJEO-KRWDZBQOSA-N 0 2 403.486 3.901 50 30 HHEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)S1)C(C)C ZINC000005408115 557651611 /nfs/dbraw/zinc/65/16/11/557651611.db2.gz GRUKXBLFPYQRAY-YCYNJWQJSA-N 0 2 400.426 3.654 50 30 HHEALN C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)C(C)C ZINC000005408115 557651615 /nfs/dbraw/zinc/65/16/15/557651615.db2.gz GRUKXBLFPYQRAY-YCYNJWQJSA-N 0 2 400.426 3.654 50 30 HHEALN COc1ccc(Cl)cc1NC(=O)CC1S/C(=N\N=C2CCCCCC2)NC1=O ZINC000015905827 558761561 /nfs/dbraw/zinc/76/15/61/558761561.db2.gz WOJPMEDNVCPNMW-MRXNPFEDSA-N 0 2 422.938 3.975 50 30 HHEALN COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\N=C2CCCCCC2)NC1=O ZINC000015905827 558761565 /nfs/dbraw/zinc/76/15/65/558761565.db2.gz WOJPMEDNVCPNMW-MRXNPFEDSA-N 0 2 422.938 3.975 50 30 HHEALN CCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3F)C(=O)N2C)cc1 ZINC000004681273 558893880 /nfs/dbraw/zinc/89/38/80/558893880.db2.gz WFHIJAOHQQGBIP-SLNYWTKHSA-N 0 2 401.463 3.815 50 30 HHEALN O=C1C(=NNc2ccc(O)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000100005969 559128518 /nfs/dbraw/zinc/12/85/18/559128518.db2.gz VXEXWIIFKNCUSL-ATJXCDBQSA-N 0 2 401.382 3.519 50 30 HHEALN Cc1cc(C)nc(N=NCc2cc(Br)c(O)c(Br)c2)n1 ZINC000004897930 559199193 /nfs/dbraw/zinc/19/91/93/559199193.db2.gz GPSAZPLLFMJFSF-OMCISZLKSA-N 0 2 400.074 3.770 50 30 HHEALN COc1ccc(NS(=O)(=O)c2ccc(/N=C/c3cccc(Cl)c3)cc2)nn1 ZINC000100689559 559256280 /nfs/dbraw/zinc/25/62/80/559256280.db2.gz JPNRULCQUYBBPM-UDWIEESQSA-N 0 2 402.863 3.690 50 30 HHEALN O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000252461467 559277248 /nfs/dbraw/zinc/27/72/48/559277248.db2.gz MRLMTFCKEMNXJO-UHFFFAOYSA-N 0 2 403.460 3.616 50 30 HHEALN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000102805292 560827167 /nfs/dbraw/zinc/82/71/67/560827167.db2.gz WUVGHHPGLUVUII-SXWSKBOKSA-N 0 2 401.831 3.719 50 30 HHEALN O=C(c1cccs1)C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1ccc(Cl)cc1 ZINC000102800527 560828544 /nfs/dbraw/zinc/82/85/44/560828544.db2.gz OLOHCOANCCXIBT-MNWMYKRDSA-N 0 2 403.872 3.879 50 30 HHEALN CC[C@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccccc1C#N ZINC000002769652 568807345 /nfs/dbraw/zinc/80/73/45/568807345.db2.gz ZAAMUXXNGDGDLD-SFHVURJKSA-N 0 2 415.478 3.690 50 30 HHEALN CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000007995183 568967390 /nfs/dbraw/zinc/96/73/90/568967390.db2.gz KUWWDXIEMUIDNZ-UHFFFAOYSA-N 0 2 406.467 3.850 50 30 HHEALN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1O ZINC000014011115 569001290 /nfs/dbraw/zinc/00/12/90/569001290.db2.gz CVUNVIUZUNNCIG-UNOMPAQXSA-N 0 2 420.465 3.803 50 30 HHEALN Cc1cc(Cl)ccc1NC(=O)CC1S/C(=N\c2ccccc2)N(CCO)C1=O ZINC000018120777 569006524 /nfs/dbraw/zinc/00/65/24/569006524.db2.gz UZWJWPUZSYAQFA-SLNYWTKHSA-N 0 2 417.918 3.601 50 30 HHEALN Cc1cc(Cl)ccc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(CCO)C1=O ZINC000018120777 569006525 /nfs/dbraw/zinc/00/65/25/569006525.db2.gz UZWJWPUZSYAQFA-SLNYWTKHSA-N 0 2 417.918 3.601 50 30 HHEALN C/N=C1/SC(CC(=O)Nc2ccccc2)C(=O)N1CCc1c[nH]c2cc(F)ccc12 ZINC000008771352 571117193 /nfs/dbraw/zinc/11/71/93/571117193.db2.gz YMKUUGSQVQBXLK-RSTPCFTMSA-N 0 2 424.501 3.808 50 30 HHEALN C/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1c[nH]c2cc(F)ccc12 ZINC000008771352 571117195 /nfs/dbraw/zinc/11/71/95/571117195.db2.gz YMKUUGSQVQBXLK-RSTPCFTMSA-N 0 2 424.501 3.808 50 30 HHEALN C=CCN1c2ccc(NS(=O)(=O)c3ccc(C)s3)cc2OCC(C)(C)C1=O ZINC000009167036 571232965 /nfs/dbraw/zinc/23/29/65/571232965.db2.gz GQDHURVEAKRPAO-UHFFFAOYSA-N 0 2 406.529 3.795 50 30 HHEALN COc1ccccc1C/N=C1\NC(=O)C(CC(=O)Nc2ccc(C)c(Cl)c2)S1 ZINC000007156204 961041607 /nfs/dbraw/zinc/04/16/07/961041607.db2.gz RJFFQLXVNJEBTD-KRWDZBQOSA-N 0 2 417.918 3.773 50 30 HHEALN N#C[C@H](c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl ZINC000000607814 557019000 /nfs/dbraw/zinc/01/90/00/557019000.db2.gz ZSZFUDFOPOMEET-GFCCVEGCSA-N 0 2 407.644 3.536 50 30 investigational HHEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S1)C(C)C ZINC000006357686 557700018 /nfs/dbraw/zinc/70/00/18/557700018.db2.gz CPAUPBHCRRHINU-UWPAOYMWSA-N 0 2 401.319 3.942 50 30 HHEALN C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2Cl)S1)C(C)C ZINC000006357686 557700024 /nfs/dbraw/zinc/70/00/24/557700024.db2.gz CPAUPBHCRRHINU-UWPAOYMWSA-N 0 2 401.319 3.942 50 30 HHEALN CC(=O)c1cccc(NC(=O)CC2SC(=NN=C3CCCCCCC3)NC2=O)c1 ZINC000015226069 558728792 /nfs/dbraw/zinc/72/87/92/558728792.db2.gz KIVQZZUNMZHRQS-SFHVURJKSA-N 0 2 414.531 3.906 50 30 HHEALN CC(=O)c1cccc(NC(=O)C[C@@H]2SC(=NN=C3CCCCCCC3)NC2=O)c1 ZINC000015226069 558728793 /nfs/dbraw/zinc/72/87/93/558728793.db2.gz KIVQZZUNMZHRQS-SFHVURJKSA-N 0 2 414.531 3.906 50 30 HHEALN O=C(CC1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000015767875 558752076 /nfs/dbraw/zinc/75/20/76/558752076.db2.gz AAZSBDGQQIIOQQ-LKKXKRCMSA-N 0 2 421.309 3.944 50 30 HHEALN O=C(C[C@@H]1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000015767875 558752079 /nfs/dbraw/zinc/75/20/79/558752079.db2.gz AAZSBDGQQIIOQQ-LKKXKRCMSA-N 0 2 421.309 3.944 50 30 HHEALN COc1ccccc1/N=C1\SC(CC(=O)Nc2ccccc2Cl)C(=O)N1C ZINC000004700704 558912199 /nfs/dbraw/zinc/91/21/99/558912199.db2.gz IMGSDAGDOBCFHL-VFOOBRQFSA-N 0 2 403.891 3.939 50 30 HHEALN COc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccccc2Cl)C(=O)N1C ZINC000004700704 558912202 /nfs/dbraw/zinc/91/22/02/558912202.db2.gz IMGSDAGDOBCFHL-VFOOBRQFSA-N 0 2 403.891 3.939 50 30 HHEALN CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccc(OC)cc3)cc2)s1 ZINC000004732529 559033225 /nfs/dbraw/zinc/03/32/25/559033225.db2.gz NAPCAUNBIHWTSN-XDHOZWIPSA-N 0 2 402.501 3.661 50 30 HHEALN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000096287851 559108734 /nfs/dbraw/zinc/10/87/34/559108734.db2.gz SPBCRMDLNNKOAQ-HXUWFJFHSA-N 0 2 412.442 3.754 50 30 HHEALN Cc1ccc(-c2nc(SCC(=O)Nc3cc(C)cc(C)c3)[nH]c(=O)c2C#N)cc1 ZINC000005238305 560548794 /nfs/dbraw/zinc/54/87/94/560548794.db2.gz FRZDNRJQTAYXRJ-UHFFFAOYSA-N 0 2 404.495 3.965 50 30 HHEALN Cn1[nH]c(C(C)(C)C)c(C(c2c(C(C)(C)C)[nH]n(C)c2=O)c2ccc(C#N)cc2)c1=O ZINC000005292740 560561971 /nfs/dbraw/zinc/56/19/71/560561971.db2.gz HKCSVHGSJHIUFV-ROUUACIJSA-N 0 2 421.545 3.622 50 30 HHEALN O=c1[nH][nH]c2c1[C@@H](c1cc([N+](=O)[O-])ccc1O)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196312 560782593 /nfs/dbraw/zinc/78/25/93/560782593.db2.gz UWVVIVXQLCQOEY-FVMDXXJSSA-N 0 2 424.438 3.749 50 30 HHEALN CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccco2)s1 ZINC000102738951 560824839 /nfs/dbraw/zinc/82/48/39/560824839.db2.gz YDYPONREOIFQBR-MNWMYKRDSA-N 0 2 401.469 3.942 50 30 HHEALN Cc1ccc([C@H](C)NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1C ZINC000031619520 568928683 /nfs/dbraw/zinc/92/86/83/568928683.db2.gz JGJDAHZXZHTXJW-INIZCTEOSA-N 0 2 418.522 3.895 50 30 HHEALN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1O ZINC000014011186 569000944 /nfs/dbraw/zinc/00/09/44/569000944.db2.gz BWDLYZYEMYDASH-UNOMPAQXSA-N 0 2 420.465 3.803 50 30 HHEALN O=C(CC1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002197692 569294762 /nfs/dbraw/zinc/29/47/62/569294762.db2.gz ZPOJBGCBODUNDK-LKKXKRCMSA-N 0 2 421.309 3.944 50 30 HHEALN O=C(C[C@@H]1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002197692 569294763 /nfs/dbraw/zinc/29/47/63/569294763.db2.gz ZPOJBGCBODUNDK-LKKXKRCMSA-N 0 2 421.309 3.944 50 30 HHEALN CC(C)(C)c1nnc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)[nH]c1=O ZINC000015230837 519120954 /nfs/dbraw/zinc/12/09/54/519120954.db2.gz HEEFZWOMXROKKO-KEBDBYFISA-N 0 2 416.279 3.931 50 30 HHEALN Cc1cc(O)c(C(=O)C=Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)c(=O)o1 ZINC000022344486 520852561 /nfs/dbraw/zinc/85/25/61/520852561.db2.gz JBGJDJZKSQNMJN-ODINRWKCSA-N 0 2 422.277 3.787 50 30 HHEALN CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000836117 557096544 /nfs/dbraw/zinc/09/65/44/557096544.db2.gz FJVQIMJEJXUNJW-INIZCTEOSA-N 0 2 417.215 3.846 50 30 HHEALN O=C(CC1S/C(=N/N=C/c2cccc3ccccc23)NC1=O)Nc1ccccc1 ZINC000004801792 557598729 /nfs/dbraw/zinc/59/87/29/557598729.db2.gz SSKBUQROIUEWTH-WQZUMXOESA-N 0 2 402.479 3.790 50 30 HHEALN O=C(C[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)NC1=O)Nc1ccccc1 ZINC000004801792 557598731 /nfs/dbraw/zinc/59/87/31/557598731.db2.gz SSKBUQROIUEWTH-WQZUMXOESA-N 0 2 402.479 3.790 50 30 HHEALN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000006813817 557724572 /nfs/dbraw/zinc/72/45/72/557724572.db2.gz ASXZZUCPFNQZGN-MRXNPFEDSA-N 0 2 407.407 3.834 50 30 HHEALN O=C(NC1CCCCCC1)c1ccc2c(c1)[nH]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000002970845 557775159 /nfs/dbraw/zinc/77/51/59/557775159.db2.gz SWEHSZRYUCCSCR-MRXNPFEDSA-N 0 2 401.532 3.892 50 30 HHEALN O=C(CC1S/C(=N/N=C/c2cccc(Cl)c2Cl)NC1=O)Nc1ccccc1 ZINC000016115143 558772358 /nfs/dbraw/zinc/77/23/58/558772358.db2.gz XYZKKFPNIDFZES-MNUWJXFPSA-N 0 2 421.309 3.944 50 30 HHEALN O=C(C[C@@H]1S/C(=N/N=C/c2cccc(Cl)c2Cl)NC1=O)Nc1ccccc1 ZINC000016115143 558772363 /nfs/dbraw/zinc/77/23/63/558772363.db2.gz XYZKKFPNIDFZES-MNUWJXFPSA-N 0 2 421.309 3.944 50 30 HHEALN COc1ccc(NC(=O)CC2S/C(=N\c3cccc(Cl)c3)N(C)C2=O)cc1 ZINC000004699831 558907582 /nfs/dbraw/zinc/90/75/82/558907582.db2.gz HPKAVABYTZPGCE-VFOOBRQFSA-N 0 2 403.891 3.939 50 30 HHEALN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3cccc(Cl)c3)N(C)C2=O)cc1 ZINC000004699831 558907584 /nfs/dbraw/zinc/90/75/84/558907584.db2.gz HPKAVABYTZPGCE-VFOOBRQFSA-N 0 2 403.891 3.939 50 30 HHEALN COc1ccccc1/N=C1\SC(CC(=O)Nc2ccccc2Cl)C(=O)N1C ZINC000004700705 558912304 /nfs/dbraw/zinc/91/23/04/558912304.db2.gz IMGSDAGDOBCFHL-BWORXHKJSA-N 0 2 403.891 3.939 50 30 HHEALN COc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N1C ZINC000004700705 558912307 /nfs/dbraw/zinc/91/23/07/558912307.db2.gz IMGSDAGDOBCFHL-BWORXHKJSA-N 0 2 403.891 3.939 50 30 HHEALN O=C1C(=NNc2ccc(O)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 ZINC000100506210 559135924 /nfs/dbraw/zinc/13/59/24/559135924.db2.gz IZOMUFOHTMFGDL-ATJXCDBQSA-N 0 2 401.382 3.519 50 30 HHEALN O=C1CCCCC1=CNc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 ZINC000100436536 559201991 /nfs/dbraw/zinc/20/19/91/559201991.db2.gz UJFIQSDCHCDASH-FYWRMAATSA-N 0 2 408.483 3.870 50 30 HHEALN COc1ccc(Cl)cc1NC(=O)CC1S/C(=N\C2CCCCC2)N(C)C1=O ZINC000005127747 560624305 /nfs/dbraw/zinc/62/43/05/560624305.db2.gz NTUZNLWQVXMXGE-XOMICKMZSA-N 0 2 409.939 3.940 50 30 HHEALN COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N\C2CCCCC2)N(C)C1=O ZINC000005127747 560624306 /nfs/dbraw/zinc/62/43/06/560624306.db2.gz NTUZNLWQVXMXGE-XOMICKMZSA-N 0 2 409.939 3.940 50 30 HHEALN CCCC(=O)N1CCN(c2ccc(/N=C/c3cc(C)cc([N+](=O)[O-])c3O)cc2)CC1 ZINC000004121769 560735188 /nfs/dbraw/zinc/73/51/88/560735188.db2.gz PNSYALBWPRJZGD-HZHRSRAPSA-N 0 2 410.474 3.808 50 30 HHEALN CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000018028997 560772070 /nfs/dbraw/zinc/77/20/70/560772070.db2.gz PGVAYZOITNHWPL-FGTMMUONSA-N 0 2 409.534 3.547 50 30 HHEALN COCCN1C(=O)C(=O)C(=C(O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1 ZINC000102546183 560814624 /nfs/dbraw/zinc/81/46/24/560814624.db2.gz ZIRHRTVAKCKLLF-MRJHHRETSA-N 0 2 409.482 3.790 50 30 HHEALN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102799251 560828177 /nfs/dbraw/zinc/82/81/77/560828177.db2.gz XCRTXFRCCUWNRT-IBOXJLQUSA-N 0 2 410.253 3.963 50 30 HHEALN Cc1cc(N=NCc2ccccc2)nc(NS(=O)(=O)c2ccccc2Cl)n1 ZINC000252679780 569319848 /nfs/dbraw/zinc/31/98/48/569319848.db2.gz RDSZSUMJMOBTIS-UHFFFAOYSA-N 0 2 401.879 3.685 50 30 HHEALN C=CCN1c2cc(NS(=O)(=O)c3ccc(C)s3)ccc2OCC(C)(C)C1=O ZINC000009171299 571233934 /nfs/dbraw/zinc/23/39/34/571233934.db2.gz GBKILGOJWLIBSY-UHFFFAOYSA-N 0 2 406.529 3.795 50 30 HHEALN