smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000001613835 557276416 /nfs/dbraw/zinc/27/64/16/557276416.db2.gz GAASGHFFQXXFNY-CYBMUJFWSA-N 0 2 401.171 4.827 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c(C)c1 ZINC000100261214 559133464 /nfs/dbraw/zinc/13/34/64/559133464.db2.gz YXWBSXFVNMJETJ-XGIGFIBQSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c(C)c1 ZINC000100261214 559133466 /nfs/dbraw/zinc/13/34/66/559133466.db2.gz YXWBSXFVNMJETJ-XGIGFIBQSA-N 0 2 401.919 4.547 40 30 HJEBLN O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000408965335 560659005 /nfs/dbraw/zinc/65/90/05/560659005.db2.gz VXHAVLPXXDGSEL-HKRQWEHGSA-N 0 2 421.434 4.698 40 30 HJEBLN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)S1 ZINC000409233465 560700761 /nfs/dbraw/zinc/70/07/61/560700761.db2.gz SIGVWZHKKMRQAK-MKMNVTDBSA-N 0 2 424.265 4.807 40 30 HJEBLN CCc1ccccc1NC(=O)CC1S/C(=N\c2cccc3ccccc32)N(C)C1=O ZINC000100159228 560723901 /nfs/dbraw/zinc/72/39/01/560723901.db2.gz LXGFIFYDXICFIF-MONKAWABSA-N 0 2 417.534 4.992 40 30 HJEBLN CCc1ccccc1NC(=O)C[C@H]1S/C(=N\c2cccc3ccccc32)N(C)C1=O ZINC000100159228 560723902 /nfs/dbraw/zinc/72/39/02/560723902.db2.gz LXGFIFYDXICFIF-MONKAWABSA-N 0 2 417.534 4.992 40 30 HJEBLN Cc1cccc(NC(=O)CC2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c1 ZINC000101650348 569015198 /nfs/dbraw/zinc/01/51/98/569015198.db2.gz KPGZRFKDZOCIME-DPFXTCQJSA-N 0 2 422.337 4.892 40 30 HJEBLN Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c1 ZINC000101650348 569015199 /nfs/dbraw/zinc/01/51/99/569015199.db2.gz KPGZRFKDZOCIME-DPFXTCQJSA-N 0 2 422.337 4.892 40 30 HJEBLN Cc1cccc(NC(=O)CC2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c1C ZINC000101650432 569015158 /nfs/dbraw/zinc/01/51/58/569015158.db2.gz NWAMHUGBBBHDQQ-OLRQPGBRSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c1C ZINC000101650432 569015159 /nfs/dbraw/zinc/01/51/59/569015159.db2.gz NWAMHUGBBBHDQQ-OLRQPGBRSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2ccc(F)c(Cl)c2)N(C)C1=O ZINC000101650409 569015182 /nfs/dbraw/zinc/01/51/82/569015182.db2.gz VVVKMTRUDMJRNW-AEKNLGIRSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N/c2ccc(F)c(Cl)c2)N(C)C1=O ZINC000101650409 569015183 /nfs/dbraw/zinc/01/51/83/569015183.db2.gz VVVKMTRUDMJRNW-AEKNLGIRSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccccc3C)N(C)C2=O)cc1Cl ZINC000101651154 569015261 /nfs/dbraw/zinc/01/52/61/569015261.db2.gz IJCVOLXCBPITEE-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3C)N(C)C2=O)cc1Cl ZINC000101651154 569015262 /nfs/dbraw/zinc/01/52/62/569015262.db2.gz IJCVOLXCBPITEE-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Oc1c(Br)cc(/C=N/NCc2ccc(Cl)cc2)cc1Br ZINC000010118699 569342935 /nfs/dbraw/zinc/34/29/35/569342935.db2.gz RPIFADJVVHIFEB-UFWORHAWSA-N 0 2 418.516 4.694 40 30 HJEBLN CCc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3C)C(=O)N2C)cc1 ZINC000101650714 523874833 /nfs/dbraw/zinc/87/48/33/523874833.db2.gz PHYBJYCVYSWVGB-MLSMKVKPSA-N 0 2 415.946 4.801 40 30 HJEBLN CCc1ccc(/N=C2/SC(CC(=O)Nc3c(C)cc(C)cc3C)C(=O)N2C)cc1 ZINC000101650740 523875217 /nfs/dbraw/zinc/87/52/17/523875217.db2.gz RIRPKMLONJHMGS-FYTMPNSFSA-N 0 2 409.555 4.764 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c(C)c1 ZINC000100261208 559133501 /nfs/dbraw/zinc/13/35/01/559133501.db2.gz YXWBSXFVNMJETJ-MBOBHEEDSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c(C)c1 ZINC000100261208 559133503 /nfs/dbraw/zinc/13/35/03/559133503.db2.gz YXWBSXFVNMJETJ-MBOBHEEDSA-N 0 2 401.919 4.547 40 30 HJEBLN O=S(=O)(OC1=CCCCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000104189980 559158805 /nfs/dbraw/zinc/15/88/05/559158805.db2.gz HLIGCACEVBSZEY-UHFFFAOYSA-N 0 2 408.282 4.997 40 30 HJEBLN CC(C)/N=C1\S/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1C(C)C ZINC000409209896 560694574 /nfs/dbraw/zinc/69/45/74/560694574.db2.gz GTVPNDFYZSSQOZ-MMPDNZJGSA-N 0 2 417.756 4.897 40 30 HJEBLN Cc1ccccc1NC(=O)CC1S/C(=N/c2ccc(Cl)cc2C)N(C)C1=O ZINC000101651127 569015242 /nfs/dbraw/zinc/01/52/42/569015242.db2.gz CBJKZTDBYJKUGV-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccc(Cl)cc2C)N(C)C1=O ZINC000101651127 569015243 /nfs/dbraw/zinc/01/52/43/569015243.db2.gz CBJKZTDBYJKUGV-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccccc1/N=C1/SC(CC(=O)Nc2cccc(Cl)c2)C(=O)N1C1CC1 ZINC000102961027 569050256 /nfs/dbraw/zinc/05/02/56/569050256.db2.gz SPTPOLDIUQAZPS-QAYQYMSWSA-N 0 2 413.930 4.771 40 30 HJEBLN Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1C1CC1 ZINC000102961027 569050257 /nfs/dbraw/zinc/05/02/57/569050257.db2.gz SPTPOLDIUQAZPS-QAYQYMSWSA-N 0 2 413.930 4.771 40 30 HJEBLN Cc1ccccc1/N=C1\SC(CC(=O)Nc2cccc(Cl)c2)C(=O)N1C1CC1 ZINC000012616236 569402127 /nfs/dbraw/zinc/40/21/27/569402127.db2.gz SPTPOLDIUQAZPS-GOTYSUTNSA-N 0 2 413.930 4.771 40 30 HJEBLN Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1C1CC1 ZINC000012616236 569402129 /nfs/dbraw/zinc/40/21/29/569402129.db2.gz SPTPOLDIUQAZPS-GOTYSUTNSA-N 0 2 413.930 4.771 40 30 HJEBLN Cc1ccccc1/N=C1\SC(CC(=O)Nc2cccc(Cl)c2)C(=O)N1C1CC1 ZINC000012616233 569402142 /nfs/dbraw/zinc/40/21/42/569402142.db2.gz SPTPOLDIUQAZPS-YQMDHOPXSA-N 0 2 413.930 4.771 40 30 HJEBLN Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1C1CC1 ZINC000012616233 569402144 /nfs/dbraw/zinc/40/21/44/569402144.db2.gz SPTPOLDIUQAZPS-YQMDHOPXSA-N 0 2 413.930 4.771 40 30 HJEBLN CCc1ccc(/N=C2/SC(CC(=O)Nc3c(C)cc(C)cc3C)C(=O)N2C)cc1 ZINC000101650736 523875192 /nfs/dbraw/zinc/87/51/92/523875192.db2.gz RIRPKMLONJHMGS-SMIQVMJNSA-N 0 2 409.555 4.764 40 30 HJEBLN CCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(Cl)cc1 ZINC000408962929 560658572 /nfs/dbraw/zinc/65/85/72/560658572.db2.gz LEPXOOCLUIVKPR-UDIJICLVSA-N 0 2 403.847 4.578 40 30 HJEBLN CCN1C(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)S/C1=N/c1ccc(F)cc1 ZINC000409248434 560701879 /nfs/dbraw/zinc/70/18/79/560701879.db2.gz KHJNZHGEFZGAKN-FNGWJHHRSA-N 0 2 421.837 4.717 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c(C)c1 ZINC000100628250 560725683 /nfs/dbraw/zinc/72/56/83/560725683.db2.gz UIJQNAJRABJRBN-NPNYCVGBSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c(C)c1 ZINC000100628250 560725685 /nfs/dbraw/zinc/72/56/85/560725685.db2.gz UIJQNAJRABJRBN-NPNYCVGBSA-N 0 2 424.551 4.503 40 30 HJEBLN CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 ZINC000098045881 568940611 /nfs/dbraw/zinc/94/06/11/568940611.db2.gz QAOWFEVOASCCIB-UHFFFAOYSA-N 0 2 407.536 4.863 40 30 HJEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3cc(Cl)ccc3C)C(=O)N2C)cc1C ZINC000101649832 569014972 /nfs/dbraw/zinc/01/49/72/569014972.db2.gz VQQQSUPUWLSOAB-QCLNCQLRSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1cc(C)c(NC(=O)CC2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)c(C)c1 ZINC000101650841 569015196 /nfs/dbraw/zinc/01/51/96/569015196.db2.gz HHGUMOYMYPGJQY-FYTMPNSFSA-N 0 2 409.555 4.819 40 30 HJEBLN CCOc1ccc(NN=C2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)cc1 ZINC000100247310 557481029 /nfs/dbraw/zinc/48/10/29/557481029.db2.gz QAEYFVNKPBMEMB-QQTULTPQSA-N 0 2 419.510 4.708 40 30 HJEBLN CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc2ccccc2c1 ZINC000408961804 560658300 /nfs/dbraw/zinc/65/83/00/560658300.db2.gz FENMEMQDVKCQAS-AXLQFZPTSA-N 0 2 405.435 4.687 40 30 HJEBLN Cc1cccc(NC(=O)CC2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)c1C ZINC000101651029 569015206 /nfs/dbraw/zinc/01/52/06/569015206.db2.gz WYRAHCXGQDNTJH-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)c1C ZINC000101651029 569015207 /nfs/dbraw/zinc/01/52/07/569015207.db2.gz WYRAHCXGQDNTJH-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2ccccc2C)C(=O)N1C ZINC000101651038 569015214 /nfs/dbraw/zinc/01/52/14/569015214.db2.gz CPZKHNMZQRAARH-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2C)C(=O)N1C ZINC000101651038 569015215 /nfs/dbraw/zinc/01/52/15/569015215.db2.gz CPZKHNMZQRAARH-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1cccc(C(C)(C)C)c1NC(=O)C(C#N)=C1C(=O)c2ccccc2C(O)=C1Cl ZINC000001625186 557277280 /nfs/dbraw/zinc/27/72/80/557277280.db2.gz PKRKSUCAMNAULJ-MRXNPFEDSA-N 0 2 420.896 4.943 40 30 HJEBLN Cc1ccccc1/N=C1/SC(CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C ZINC000101651164 569015223 /nfs/dbraw/zinc/01/52/23/569015223.db2.gz HZXTUGIGUXMISW-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C ZINC000101651164 569015224 /nfs/dbraw/zinc/01/52/24/569015224.db2.gz HZXTUGIGUXMISW-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN CCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1 ZINC000005614553 557665355 /nfs/dbraw/zinc/66/53/55/557665355.db2.gz IRSHFMSMOIEDLS-BUVRLJJBSA-N 0 2 403.438 4.990 40 30 HJEBLN Cc1cccc(C(C)(C)C)c1NC(=O)C(C#N)=C1C(=O)c2ccccc2C(O)=C1Cl ZINC000017198016 558825521 /nfs/dbraw/zinc/82/55/21/558825521.db2.gz PKRKSUCAMNAULJ-INIZCTEOSA-N 0 2 420.896 4.943 40 30 HJEBLN Cc1c(Cl)cccc1NC(=O)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000104572133 559161287 /nfs/dbraw/zinc/16/12/87/559161287.db2.gz RUQVXNDGYBXHTB-LBPRGKRZSA-N 0 2 415.639 4.782 40 30 HJEBLN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)S2)cc1 ZINC000408952191 560656942 /nfs/dbraw/zinc/65/69/42/560656942.db2.gz LCHOKHDFQDIBNE-OQLLNIDSSA-N 0 2 409.294 4.989 40 30 HJEBLN Cc1cccc(NC(=O)CC2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c1C ZINC000100628244 560725728 /nfs/dbraw/zinc/72/57/28/560725728.db2.gz RYWZMSHNXXYYPV-LWYOUWALSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c1C ZINC000100628244 560725730 /nfs/dbraw/zinc/72/57/30/560725730.db2.gz RYWZMSHNXXYYPV-LWYOUWALSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2nc3ccccc3s2)N(C)C1=O ZINC000101649712 569014966 /nfs/dbraw/zinc/01/49/66/569014966.db2.gz NAAJLQMUJNDRDR-ASLPFPAGSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N/c2nc3ccccc3s2)N(C)C1=O ZINC000101649712 569014967 /nfs/dbraw/zinc/01/49/67/569014967.db2.gz NAAJLQMUJNDRDR-ASLPFPAGSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1cccc(NC(=O)CC2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c1 ZINC000101650350 569015188 /nfs/dbraw/zinc/01/51/88/569015188.db2.gz KPGZRFKDZOCIME-AZCDHQAESA-N 0 2 422.337 4.892 40 30 HJEBLN Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c1 ZINC000101650350 569015189 /nfs/dbraw/zinc/01/51/89/569015189.db2.gz KPGZRFKDZOCIME-AZCDHQAESA-N 0 2 422.337 4.892 40 30 HJEBLN Cc1ccccc1/N=C1/SC(CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C ZINC000101651175 569015248 /nfs/dbraw/zinc/01/52/48/569015248.db2.gz SIKRRANROLAKGJ-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C ZINC000101651175 569015249 /nfs/dbraw/zinc/01/52/49/569015249.db2.gz SIKRRANROLAKGJ-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(C=Nc3cccc4ccccc43)cc2)[nH]1 ZINC000005704970 557669476 /nfs/dbraw/zinc/66/94/76/557669476.db2.gz LWDNPHQWKDVFKJ-PPZDZUQXSA-N 0 2 412.405 4.870 40 30 HJEBLN CCc1ccc(/N=C2/SC(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)cc1 ZINC000101650704 569015137 /nfs/dbraw/zinc/01/51/37/569015137.db2.gz LWHMCXPGLBEAFB-QAYQYMSWSA-N 0 2 415.946 4.801 40 30 HJEBLN Cc1cccc(/N=C2/SC(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)c1 ZINC000101650870 569015194 /nfs/dbraw/zinc/01/51/94/569015194.db2.gz KGSDVFQBDZCLOS-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1cccc(/N=C2/S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)c1 ZINC000101650870 569015195 /nfs/dbraw/zinc/01/51/95/569015195.db2.gz KGSDVFQBDZCLOS-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c(C)c1 ZINC000101651112 569015234 /nfs/dbraw/zinc/01/52/34/569015234.db2.gz JJUNNHMRDPLTOJ-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c(C)c1 ZINC000101651112 569015235 /nfs/dbraw/zinc/01/52/35/569015235.db2.gz JJUNNHMRDPLTOJ-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)c(C)c1 ZINC000101651012 569015272 /nfs/dbraw/zinc/01/52/72/569015272.db2.gz AFLOAMMCOMKSIC-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)c(C)c1 ZINC000101651012 569015273 /nfs/dbraw/zinc/01/52/73/569015273.db2.gz AFLOAMMCOMKSIC-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN N#CC(C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000006511724 557705989 /nfs/dbraw/zinc/70/59/89/557705989.db2.gz GAASGHFFQXXFNY-ZDUSSCGKSA-N 0 2 401.171 4.827 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c(C)c1 ZINC000100628247 560725724 /nfs/dbraw/zinc/72/57/24/560725724.db2.gz UIJQNAJRABJRBN-LWYOUWALSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c(C)c1 ZINC000100628247 560725726 /nfs/dbraw/zinc/72/57/26/560725726.db2.gz UIJQNAJRABJRBN-LWYOUWALSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2c(C)cccc2C)C(=O)N1C ZINC000101649865 569015006 /nfs/dbraw/zinc/01/50/06/569015006.db2.gz YUXCSJSMVDKXRI-IJCFDHGGSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1C ZINC000101649865 569015007 /nfs/dbraw/zinc/01/50/07/569015007.db2.gz YUXCSJSMVDKXRI-IJCFDHGGSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)cc1 ZINC000101651139 569015282 /nfs/dbraw/zinc/01/52/82/569015282.db2.gz IIDPEPAKHWSEIK-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)cc1 ZINC000101651139 569015283 /nfs/dbraw/zinc/01/52/83/569015283.db2.gz IIDPEPAKHWSEIK-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)c(Cl)c1 ZINC000038162577 569362644 /nfs/dbraw/zinc/36/26/44/569362644.db2.gz NUDLPIHKNBWSGX-FOKLQQMPSA-N 0 2 421.796 4.505 40 30 HJEBLN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)c1O ZINC000006600353 560631847 /nfs/dbraw/zinc/63/18/47/560631847.db2.gz FAGBDQRQXNZOAZ-FSJBWODESA-N 0 2 419.393 4.964 40 30 HJEBLN COc1ccc(C/[NH+]=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1 ZINC000408813059 560643527 /nfs/dbraw/zinc/64/35/27/560643527.db2.gz DMVBTTYUWXEVIK-MYYYXRDXSA-N 0 2 405.450 4.600 40 30 HJEBLN COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc([N+](=O)[O-])o3)sc1C2 ZINC000409043865 560669239 /nfs/dbraw/zinc/66/92/39/560669239.db2.gz AZCLTSMKIFKIHL-CNHKJKLMSA-N 0 2 420.244 4.737 40 30 HJEBLN Oc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Br ZINC000409050708 560669940 /nfs/dbraw/zinc/66/99/40/560669940.db2.gz YTTOMXHXNDHZKW-DYUKFFQPSA-N 0 2 417.506 4.522 40 30 HJEBLN Cc1ccc(C)c(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c1 ZINC000101649889 569014981 /nfs/dbraw/zinc/01/49/81/569014981.db2.gz ZVYVNJWOCFNOLI-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c1 ZINC000101649889 569014982 /nfs/dbraw/zinc/01/49/82/569014982.db2.gz ZVYVNJWOCFNOLI-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1cccc(/N=C2/SC(CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C)c1 ZINC000101650904 569015202 /nfs/dbraw/zinc/01/52/02/569015202.db2.gz LFQDDIAXXACLIM-XGIGFIBQSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1cccc(/N=C2/S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C)c1 ZINC000101650904 569015203 /nfs/dbraw/zinc/01/52/03/569015203.db2.gz LFQDDIAXXACLIM-XGIGFIBQSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1cccc(/N=C2/SC(CC(=O)Nc3cc(Cl)ccc3C)C(=O)N2C)c1 ZINC000101650879 524155468 /nfs/dbraw/zinc/15/54/68/524155468.db2.gz QWOSCIJKBCYMEE-MBOBHEEDSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1cccc(/N=C2/S[C@H](CC(=O)Nc3cc(Cl)ccc3C)C(=O)N2C)c1 ZINC000101650879 524155475 /nfs/dbraw/zinc/15/54/75/524155475.db2.gz QWOSCIJKBCYMEE-MBOBHEEDSA-N 0 2 401.919 4.547 40 30 HJEBLN CCCCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc1OC ZINC000136595812 559290345 /nfs/dbraw/zinc/29/03/45/559290345.db2.gz XENHQVLZDOMAPY-HOWQKPOLSA-N 0 2 417.556 4.706 40 30 HJEBLN CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000409037002 560668866 /nfs/dbraw/zinc/66/88/66/560668866.db2.gz WWSWSVLMLYZKFS-UHFFFAOYSA-N 0 2 424.497 4.616 40 30 HJEBLN COc1ccc(Br)c2c1-c1nc(/N=C/c3ccccc3O)sc1C2 ZINC000409049924 560669922 /nfs/dbraw/zinc/66/99/22/560669922.db2.gz RKODCKCXPXEPJW-AWQFTUOYSA-N 0 2 401.285 4.942 40 30 HJEBLN COc1ccc(C/[NH+]=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1 ZINC000408968492 560659489 /nfs/dbraw/zinc/65/94/89/560659489.db2.gz ZPTBYIMGGFPUCF-MYYYXRDXSA-N 0 2 405.450 4.600 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)cc1C ZINC000101651105 569015277 /nfs/dbraw/zinc/01/52/77/569015277.db2.gz PMFAFQVFKUAVQT-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)cc1C ZINC000101651105 569015278 /nfs/dbraw/zinc/01/52/78/569015278.db2.gz PMFAFQVFKUAVQT-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN CCCC[C@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=O ZINC000018067104 558830368 /nfs/dbraw/zinc/83/03/68/558830368.db2.gz YTORJWCNYGVRPS-HMDOMZECSA-N 0 2 402.541 4.506 40 30 HJEBLN CCCCC1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=O ZINC000018067104 558830372 /nfs/dbraw/zinc/83/03/72/558830372.db2.gz YTORJWCNYGVRPS-HMDOMZECSA-N 0 2 402.541 4.506 40 30 HJEBLN CC(C)(C)C(=O)C=C(O)c1cc(C(C)(C)C)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100933517 559141961 /nfs/dbraw/zinc/14/19/61/559141961.db2.gz KBVGUGDGLMNPNB-WJDWOHSUSA-N 0 2 416.434 4.500 40 30 HJEBLN CCc1ccccc1NC(=O)CC1S/C(=N\c2cccc3ccccc32)N(C)C1=O ZINC000100159226 560723864 /nfs/dbraw/zinc/72/38/64/560723864.db2.gz LXGFIFYDXICFIF-TYGLDRHGSA-N 0 2 417.534 4.992 40 30 HJEBLN CCc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2cccc3ccccc32)N(C)C1=O ZINC000100159226 560723865 /nfs/dbraw/zinc/72/38/65/560723865.db2.gz LXGFIFYDXICFIF-TYGLDRHGSA-N 0 2 417.534 4.992 40 30 HJEBLN C=CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1CC=C ZINC000059135551 568700981 /nfs/dbraw/zinc/70/09/81/568700981.db2.gz RCSOXLKYJIHXCV-XMHGGMMESA-N 0 2 406.413 4.626 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)c(C)c1 ZINC000101651018 569015275 /nfs/dbraw/zinc/01/52/75/569015275.db2.gz AFLOAMMCOMKSIC-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)c(C)c1 ZINC000101651018 569015276 /nfs/dbraw/zinc/01/52/76/569015276.db2.gz AFLOAMMCOMKSIC-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN CCOC(=O)c1ccc(-n2c(C)cc(/C=[NH+]/Cc3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000408774120 560639380 /nfs/dbraw/zinc/63/93/80/560639380.db2.gz ABMWTDVWTZOHEM-MFKUBSTISA-N 0 2 404.466 4.588 40 30 HJEBLN COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc(O)cc3)sc1C2 ZINC000409045765 560669457 /nfs/dbraw/zinc/66/94/57/560669457.db2.gz HWVMQVGNCUTNSU-AWQFTUOYSA-N 0 2 401.285 4.942 40 30 HJEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C)cc1C ZINC000054979080 525970442 /nfs/dbraw/zinc/97/04/42/525970442.db2.gz PUCFPGOKHIAEIW-QCLNCQLRSA-N 0 2 415.946 4.855 40 30 HJEBLN CSc1cc(Cl)c(C)cc1S(=O)(=O)N=C(O)Nc1ccc(Cl)cc1 ZINC000001857854 557292437 /nfs/dbraw/zinc/29/24/37/557292437.db2.gz STQQHZQEPYBXLF-UHFFFAOYSA-N 0 2 405.328 4.739 40 30 HJEBLN CCCCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc1OC ZINC000035125121 557380683 /nfs/dbraw/zinc/38/06/83/557380683.db2.gz XENHQVLZDOMAPY-VZAFCAAPSA-N 0 2 417.556 4.706 40 30 HJEBLN CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc(O)c(-c3nc4ccccc4o3)c2)c1O ZINC000016688219 558800008 /nfs/dbraw/zinc/80/00/08/558800008.db2.gz FAGBDQRQXNZOAZ-FMCGGJTJSA-N 0 2 419.393 4.964 40 30 HJEBLN Cc1ccc(C)c(NC(=O)CC2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c1 ZINC000100628252 560725815 /nfs/dbraw/zinc/72/58/15/560725815.db2.gz ORDHKLKERZWASQ-LWYOUWALSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c1 ZINC000100628252 560725816 /nfs/dbraw/zinc/72/58/16/560725816.db2.gz ORDHKLKERZWASQ-LWYOUWALSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1ccccc1NC(=O)CC1S/C(=N/c2cccc(Cl)c2Cl)N(C)C1=O ZINC000101650344 569015133 /nfs/dbraw/zinc/01/51/33/569015133.db2.gz YFQHYWZDCMEMCS-AZCDHQAESA-N 0 2 422.337 4.892 40 30 HJEBLN Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2cccc(Cl)c2Cl)N(C)C1=O ZINC000101650344 569015134 /nfs/dbraw/zinc/01/51/34/569015134.db2.gz YFQHYWZDCMEMCS-AZCDHQAESA-N 0 2 422.337 4.892 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)cc1C ZINC000101650411 569015147 /nfs/dbraw/zinc/01/51/47/569015147.db2.gz XWCPVARLGNJLNB-OCLJWFPGSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)cc1C ZINC000101650411 569015148 /nfs/dbraw/zinc/01/51/48/569015148.db2.gz XWCPVARLGNJLNB-OCLJWFPGSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3C)C(=O)N2C)cc1C ZINC000054979081 525970930 /nfs/dbraw/zinc/97/09/30/525970930.db2.gz HMNPPDKAVNRTRV-MLSMKVKPSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1cc(C(=O)C[C@H]2SC(=NN=CC=Cc3ccccc3)NC2=O)ccc1Cl ZINC000006550512 568455581 /nfs/dbraw/zinc/45/55/81/568455581.db2.gz JNIKUVMETDHLNM-SVCSFODXSA-N 0 2 411.914 4.508 40 30 HJEBLN Cc1cc(C(=O)CC2SC(=NN=CC=Cc3ccccc3)NC2=O)ccc1Cl ZINC000006550512 568455582 /nfs/dbraw/zinc/45/55/82/568455582.db2.gz JNIKUVMETDHLNM-SVCSFODXSA-N 0 2 411.914 4.508 40 30 HJEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2nc3ccccc3s2)N(C)C1=O ZINC000101649705 569014923 /nfs/dbraw/zinc/01/49/23/569014923.db2.gz NAAJLQMUJNDRDR-VWGHSQMFSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N/c2nc3ccccc3s2)N(C)C1=O ZINC000101649705 569014924 /nfs/dbraw/zinc/01/49/24/569014924.db2.gz NAAJLQMUJNDRDR-VWGHSQMFSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1cccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c1C ZINC000101649894 569014973 /nfs/dbraw/zinc/01/49/73/569014973.db2.gz MLHUWQHYZGKTKU-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c1C ZINC000101649894 569014974 /nfs/dbraw/zinc/01/49/74/569014974.db2.gz MLHUWQHYZGKTKU-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccccc1/N=C1/SC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C ZINC000101651184 569015228 /nfs/dbraw/zinc/01/52/28/569015228.db2.gz SSEWTRDKSQCIFS-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C ZINC000101651184 569015229 /nfs/dbraw/zinc/01/52/29/569015229.db2.gz SSEWTRDKSQCIFS-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)cc1C ZINC000101651008 569015279 /nfs/dbraw/zinc/01/52/79/569015279.db2.gz NQEXNWFQVIFXTJ-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)cc1C ZINC000101651008 569015280 /nfs/dbraw/zinc/01/52/80/569015280.db2.gz NQEXNWFQVIFXTJ-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3C)C(=O)N2C)cc1C ZINC000054979082 525970413 /nfs/dbraw/zinc/97/04/13/525970413.db2.gz HMNPPDKAVNRTRV-QCLNCQLRSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1[C@H](c1ccccc1)C(C#N)C#N ZINC000105573019 559162969 /nfs/dbraw/zinc/16/29/69/559162969.db2.gz SKUGFJYVFSNVRK-OAQYLSRUSA-N 0 2 411.490 4.805 40 30 HJEBLN Cc1cccc(NC(=O)CC2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c1C ZINC000100628245 560725679 /nfs/dbraw/zinc/72/56/79/560725679.db2.gz RYWZMSHNXXYYPV-NPNYCVGBSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c1C ZINC000100628245 560725681 /nfs/dbraw/zinc/72/56/81/560725681.db2.gz RYWZMSHNXXYYPV-NPNYCVGBSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)cc1C ZINC000101649729 569014943 /nfs/dbraw/zinc/01/49/43/569014943.db2.gz YNBYLCPZRCCPAM-NPNYCVGBSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)cc1C ZINC000101649729 569014944 /nfs/dbraw/zinc/01/49/44/569014944.db2.gz YNBYLCPZRCCPAM-NPNYCVGBSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1cccc(/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3C)C(=O)N2C)c1 ZINC000101650896 569015138 /nfs/dbraw/zinc/01/51/38/569015138.db2.gz KHHAPMMSRQJCBR-MBOBHEEDSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1cccc(/N=C2/S[C@H](CC(=O)Nc3ccc(Cl)cc3C)C(=O)N2C)c1 ZINC000101650896 569015139 /nfs/dbraw/zinc/01/51/39/569015139.db2.gz KHHAPMMSRQJCBR-MBOBHEEDSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)cc1 ZINC000101650354 569015160 /nfs/dbraw/zinc/01/51/60/569015160.db2.gz YDCNVPGISQEOGB-DPFXTCQJSA-N 0 2 422.337 4.892 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)cc1 ZINC000101650354 569015161 /nfs/dbraw/zinc/01/51/61/569015161.db2.gz YDCNVPGISQEOGB-DPFXTCQJSA-N 0 2 422.337 4.892 40 30 HJEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2ccc(F)c(Cl)c2)N(C)C1=O ZINC000101650407 569015190 /nfs/dbraw/zinc/01/51/90/569015190.db2.gz VVVKMTRUDMJRNW-MLVIZHJXSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N/c2ccc(F)c(Cl)c2)N(C)C1=O ZINC000101650407 569015191 /nfs/dbraw/zinc/01/51/91/569015191.db2.gz VVVKMTRUDMJRNW-MLVIZHJXSA-N 0 2 419.909 4.686 40 30 HJEBLN O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(Cl)c1 ZINC000038162639 569362581 /nfs/dbraw/zinc/36/25/81/569362581.db2.gz BOKXPAOSTDKCCV-FOKLQQMPSA-N 0 2 421.796 4.505 40 30 HJEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2ccc(Cl)cc2C)N(C)C1=O ZINC000101649881 569014977 /nfs/dbraw/zinc/01/49/77/569014977.db2.gz HIGZIKHRUKFFKV-BIBRTQAFSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N/c2ccc(Cl)cc2C)N(C)C1=O ZINC000101649881 569014978 /nfs/dbraw/zinc/01/49/78/569014978.db2.gz HIGZIKHRUKFFKV-BIBRTQAFSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1cccc(/N=C2/SC(CC(=O)Nc3cc(Cl)ccc3C)C(=O)N2C)c1 ZINC000101650873 569015143 /nfs/dbraw/zinc/01/51/43/569015143.db2.gz QWOSCIJKBCYMEE-XGIGFIBQSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1cccc(/N=C2/S[C@@H](CC(=O)Nc3cc(Cl)ccc3C)C(=O)N2C)c1 ZINC000101650873 569015144 /nfs/dbraw/zinc/01/51/44/569015144.db2.gz QWOSCIJKBCYMEE-XGIGFIBQSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccccc1/N=C1/SC(CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C ZINC000101651177 569015219 /nfs/dbraw/zinc/01/52/19/569015219.db2.gz SIKRRANROLAKGJ-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C ZINC000101651177 569015220 /nfs/dbraw/zinc/01/52/20/569015220.db2.gz SIKRRANROLAKGJ-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1[C@@H](c1ccccc1)C(C#N)C#N ZINC000105573018 559162976 /nfs/dbraw/zinc/16/29/76/559162976.db2.gz SKUGFJYVFSNVRK-NRFANRHFSA-N 0 2 411.490 4.805 40 30 HJEBLN Cc1ccc(/N=C2\S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2CC(C)C)cc1 ZINC000408910441 560653139 /nfs/dbraw/zinc/65/31/39/560653139.db2.gz IIMHZJFEAOGNNU-OESWBVNESA-N 0 2 411.483 4.869 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c(C)c1 ZINC000101650424 569015136 /nfs/dbraw/zinc/01/51/36/569015136.db2.gz YJUBZCGHQUILKE-OLRQPGBRSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c(C)c1 ZINC000101650424 569015135 /nfs/dbraw/zinc/01/51/35/569015135.db2.gz YJUBZCGHQUILKE-OLRQPGBRSA-N 0 2 419.909 4.686 40 30 HJEBLN CCc1ccc(/N=C2/SC(CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C)cc1 ZINC000101650730 569015174 /nfs/dbraw/zinc/01/51/74/569015174.db2.gz RCRRMXWYDLAIHV-QCLNCQLRSA-N 0 2 415.946 4.801 40 30 HJEBLN Cc1ccccc1/N=C1/SC(CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C ZINC000101651169 569015253 /nfs/dbraw/zinc/01/52/53/569015253.db2.gz HZXTUGIGUXMISW-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C ZINC000101651169 569015254 /nfs/dbraw/zinc/01/52/54/569015254.db2.gz HZXTUGIGUXMISW-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN CCCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409084336 560674149 /nfs/dbraw/zinc/67/41/49/560674149.db2.gz XPYYFIKLSPXUHO-BBNBJWFKSA-N 0 2 417.874 4.968 40 30 HJEBLN COc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1 ZINC000007939536 568484214 /nfs/dbraw/zinc/48/42/14/568484214.db2.gz PHNIKSHKNPQVAQ-FARCUNLSSA-N 0 2 412.077 4.822 40 30 HJEBLN Cc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2c(C)cccc2C)C(=O)N1C ZINC000101649872 569015027 /nfs/dbraw/zinc/01/50/27/569015027.db2.gz YUXCSJSMVDKXRI-BIBRTQAFSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1C ZINC000101649872 569015028 /nfs/dbraw/zinc/01/50/28/569015028.db2.gz YUXCSJSMVDKXRI-BIBRTQAFSA-N 0 2 415.946 4.855 40 30 HJEBLN CCc1ccc(/N=C2/SC(CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C)cc1 ZINC000101650724 569015157 /nfs/dbraw/zinc/01/51/57/569015157.db2.gz RCRRMXWYDLAIHV-MLSMKVKPSA-N 0 2 415.946 4.801 40 30 HJEBLN Cc1cccc(/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3C)C(=O)N2C)c1 ZINC000101650887 569015168 /nfs/dbraw/zinc/01/51/68/569015168.db2.gz KHHAPMMSRQJCBR-XGIGFIBQSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1cccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(Cl)cc3C)C(=O)N2C)c1 ZINC000101650887 569015169 /nfs/dbraw/zinc/01/51/69/569015169.db2.gz KHHAPMMSRQJCBR-XGIGFIBQSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2ccccc2C)C(=O)N1C ZINC000101651032 569015232 /nfs/dbraw/zinc/01/52/32/569015232.db2.gz CPZKHNMZQRAARH-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2ccccc2C)C(=O)N1C ZINC000101651032 569015233 /nfs/dbraw/zinc/01/52/33/569015233.db2.gz CPZKHNMZQRAARH-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN N#Cc1ccccc1CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O ZINC000409161967 569386669 /nfs/dbraw/zinc/38/66/69/569386669.db2.gz XWBAJQXYXKXCFA-CHHVJCJISA-N 0 2 405.262 4.807 40 30 HJEBLN Cc1cccc(/N=C2/SC(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)c1 ZINC000101650866 569015192 /nfs/dbraw/zinc/01/51/92/569015192.db2.gz KGSDVFQBDZCLOS-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1cccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)c1 ZINC000101650866 569015193 /nfs/dbraw/zinc/01/51/93/569015193.db2.gz KGSDVFQBDZCLOS-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)cc1 ZINC000101651044 569015210 /nfs/dbraw/zinc/01/52/10/569015210.db2.gz LPILTKDFJPPJMZ-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)cc1 ZINC000101651044 569015211 /nfs/dbraw/zinc/01/52/11/569015211.db2.gz LPILTKDFJPPJMZ-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)cc1C ZINC000101651108 569015216 /nfs/dbraw/zinc/01/52/16/569015216.db2.gz PMFAFQVFKUAVQT-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)cc1C ZINC000101651108 569015217 /nfs/dbraw/zinc/01/52/17/569015217.db2.gz PMFAFQVFKUAVQT-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccccc1NC(=O)CC1S/C(=N/c2ccc(Cl)cc2C)N(C)C1=O ZINC000101651134 569015257 /nfs/dbraw/zinc/01/52/57/569015257.db2.gz CBJKZTDBYJKUGV-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(Cl)cc2C)N(C)C1=O ZINC000101651134 569015258 /nfs/dbraw/zinc/01/52/58/569015258.db2.gz CBJKZTDBYJKUGV-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1cc(C(=O)C[C@@H]2SC(=NN=CC=Cc3ccccc3)NC2=O)ccc1Cl ZINC000006550514 568455493 /nfs/dbraw/zinc/45/54/93/568455493.db2.gz JNIKUVMETDHLNM-RIMVIUNYSA-N 0 2 411.914 4.508 40 30 HJEBLN Cc1cc(C(=O)CC2SC(=NN=CC=Cc3ccccc3)NC2=O)ccc1Cl ZINC000006550514 568455495 /nfs/dbraw/zinc/45/54/95/568455495.db2.gz JNIKUVMETDHLNM-RIMVIUNYSA-N 0 2 411.914 4.508 40 30 HJEBLN CCc1ccc(/N=C2/SC(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)cc1 ZINC000101650708 569015146 /nfs/dbraw/zinc/01/51/46/569015146.db2.gz LWHMCXPGLBEAFB-JQBIEYAESA-N 0 2 415.946 4.801 40 30 HJEBLN Cc1cccc(NC(=O)CC2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c1C ZINC000101650429 569015175 /nfs/dbraw/zinc/01/51/75/569015175.db2.gz NWAMHUGBBBHDQQ-LRWZUSMTSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c1C ZINC000101650429 569015176 /nfs/dbraw/zinc/01/51/76/569015176.db2.gz NWAMHUGBBBHDQQ-LRWZUSMTSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1ccccc1/N=C1/SC(CC(=O)Nc2cccc(Cl)c2)C(=O)N1C1CC1 ZINC000102961030 569050270 /nfs/dbraw/zinc/05/02/70/569050270.db2.gz SPTPOLDIUQAZPS-JQBIEYAESA-N 0 2 413.930 4.771 40 30 HJEBLN Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1C1CC1 ZINC000102961030 569050271 /nfs/dbraw/zinc/05/02/71/569050271.db2.gz SPTPOLDIUQAZPS-JQBIEYAESA-N 0 2 413.930 4.771 40 30 HJEBLN Oc1c(Br)cc(/C=N/NCc2ccccc2Cl)cc1Br ZINC000008811308 569341918 /nfs/dbraw/zinc/34/19/18/569341918.db2.gz YKZDYNJYVHMAKS-CNHKJKLMSA-N 0 2 418.516 4.694 40 30 HJEBLN Cc1c(Cl)cccc1NC(=O)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000104572125 559161282 /nfs/dbraw/zinc/16/12/82/559161282.db2.gz RUQVXNDGYBXHTB-GFCCVEGCSA-N 0 2 415.639 4.782 40 30 HJEBLN Cc1ccc(C)c(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c1 ZINC000101649884 569015013 /nfs/dbraw/zinc/01/50/13/569015013.db2.gz ZVYVNJWOCFNOLI-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c1 ZINC000101649884 569015014 /nfs/dbraw/zinc/01/50/14/569015014.db2.gz ZVYVNJWOCFNOLI-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(C)c(NC(=O)CC2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c1 ZINC000101649787 569015035 /nfs/dbraw/zinc/01/50/35/569015035.db2.gz QAUVIGXHDVUHQA-LRWZUSMTSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c1 ZINC000101649787 569015036 /nfs/dbraw/zinc/01/50/36/569015036.db2.gz QAUVIGXHDVUHQA-LRWZUSMTSA-N 0 2 419.909 4.686 40 30 HJEBLN CCc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3C)C(=O)N2C)cc1 ZINC000101650719 569015179 /nfs/dbraw/zinc/01/51/79/569015179.db2.gz PHYBJYCVYSWVGB-QCLNCQLRSA-N 0 2 415.946 4.801 40 30 HJEBLN Cc1cccc(NC(=O)CC2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)c1C ZINC000101651022 569015268 /nfs/dbraw/zinc/01/52/68/569015268.db2.gz WYRAHCXGQDNTJH-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)c1C ZINC000101651022 569015269 /nfs/dbraw/zinc/01/52/69/569015269.db2.gz WYRAHCXGQDNTJH-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN CCCC[C@@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=O ZINC000018006392 558829529 /nfs/dbraw/zinc/82/95/29/558829529.db2.gz YTORJWCNYGVRPS-OQLSDQBISA-N 0 2 402.541 4.506 40 30 HJEBLN CCCCC1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=O ZINC000018006392 558829530 /nfs/dbraw/zinc/82/95/30/558829530.db2.gz YTORJWCNYGVRPS-OQLSDQBISA-N 0 2 402.541 4.506 40 30 HJEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2ccc(Cl)cc2C)N(C)C1=O ZINC000101649874 569015045 /nfs/dbraw/zinc/01/50/45/569015045.db2.gz HIGZIKHRUKFFKV-IJCFDHGGSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N/c2ccc(Cl)cc2C)N(C)C1=O ZINC000101649874 569015046 /nfs/dbraw/zinc/01/50/46/569015046.db2.gz HIGZIKHRUKFFKV-IJCFDHGGSA-N 0 2 415.946 4.855 40 30 HJEBLN C=CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2O)cc1Br ZINC000033367335 569362322 /nfs/dbraw/zinc/36/23/22/569362322.db2.gz OXXNLEPLGIKPIM-ZLAKOQMZSA-N 0 2 421.341 4.888 40 30 HJEBLN Cc1ccc(C)c(NC(=O)CC2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c1 ZINC000100628254 560725813 /nfs/dbraw/zinc/72/58/13/560725813.db2.gz ORDHKLKERZWASQ-NPNYCVGBSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c1 ZINC000100628254 560725814 /nfs/dbraw/zinc/72/58/14/560725814.db2.gz ORDHKLKERZWASQ-NPNYCVGBSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1cc(C)c(NC(=O)CC2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)c(C)c1 ZINC000101650837 569015185 /nfs/dbraw/zinc/01/51/85/569015185.db2.gz HHGUMOYMYPGJQY-SMIQVMJNSA-N 0 2 409.555 4.819 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c(C)c1 ZINC000101651116 569015225 /nfs/dbraw/zinc/01/52/25/569015225.db2.gz JJUNNHMRDPLTOJ-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c(C)c1 ZINC000101651116 569015226 /nfs/dbraw/zinc/01/52/26/569015226.db2.gz JJUNNHMRDPLTOJ-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)cc1 ZINC000101651144 569015264 /nfs/dbraw/zinc/01/52/64/569015264.db2.gz IIDPEPAKHWSEIK-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)cc1 ZINC000101651144 569015265 /nfs/dbraw/zinc/01/52/65/569015265.db2.gz IIDPEPAKHWSEIK-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3cc(Cl)ccc3C)C(=O)N2C)cc1C ZINC000101649828 525970524 /nfs/dbraw/zinc/97/05/24/525970524.db2.gz VQQQSUPUWLSOAB-MLSMKVKPSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C)cc1C ZINC000054979079 525970303 /nfs/dbraw/zinc/97/03/03/525970303.db2.gz PUCFPGOKHIAEIW-MLSMKVKPSA-N 0 2 415.946 4.855 40 30 HJEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCC(C)C)c(OC)c3)SC2=N)s1 ZINC000136742114 559290439 /nfs/dbraw/zinc/29/04/39/559290439.db2.gz KRCLJALYMVJTRJ-HNNQCDMISA-N 0 2 417.556 4.562 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c(C)c1 ZINC000101650419 569015154 /nfs/dbraw/zinc/01/51/54/569015154.db2.gz YJUBZCGHQUILKE-LRWZUSMTSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c(C)c1 ZINC000101650419 569015155 /nfs/dbraw/zinc/01/51/55/569015155.db2.gz YJUBZCGHQUILKE-LRWZUSMTSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1cccc(/N=C2/SC(CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C)c1 ZINC000101650909 569015200 /nfs/dbraw/zinc/01/52/00/569015200.db2.gz LFQDDIAXXACLIM-MBOBHEEDSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1cccc(/N=C2/S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C)c1 ZINC000101650909 569015201 /nfs/dbraw/zinc/01/52/01/569015201.db2.gz LFQDDIAXXACLIM-MBOBHEEDSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccccc3C)N(C)C2=O)cc1Cl ZINC000101651158 569015208 /nfs/dbraw/zinc/01/52/08/569015208.db2.gz IJCVOLXCBPITEE-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3C)N(C)C2=O)cc1Cl ZINC000101651158 569015209 /nfs/dbraw/zinc/01/52/09/569015209.db2.gz IJCVOLXCBPITEE-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN CN(C)c1ccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3o2)cc1 ZINC000005328746 557645092 /nfs/dbraw/zinc/64/50/92/557645092.db2.gz ASKBCFFSTUSEKH-YDZHTSKRSA-N 0 2 402.410 4.925 40 30 HJEBLN O=C(CSc1nnc(N=[NH+]C2CCCCC2)[n-]1)N(c1ccccc1)c1ccccc1 ZINC000020523032 558383736 /nfs/dbraw/zinc/38/37/36/558383736.db2.gz LYNMDYRUOONFCS-UHFFFAOYSA-N 0 2 420.542 4.994 40 30 HJEBLN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 ZINC000409402688 560721034 /nfs/dbraw/zinc/72/10/34/560721034.db2.gz IVLBIJWZSJKAAE-UHFFFAOYSA-N 0 2 410.260 4.958 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)cc1C ZINC000101650414 569015127 /nfs/dbraw/zinc/01/51/27/569015127.db2.gz XWCPVARLGNJLNB-OVJLLXBISA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)cc1C ZINC000101650414 569015128 /nfs/dbraw/zinc/01/51/28/569015128.db2.gz XWCPVARLGNJLNB-OVJLLXBISA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1ccccc1/N=C1/SC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C ZINC000101651186 569015204 /nfs/dbraw/zinc/01/52/04/569015204.db2.gz SSEWTRDKSQCIFS-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C ZINC000101651186 569015205 /nfs/dbraw/zinc/01/52/05/569015205.db2.gz SSEWTRDKSQCIFS-LRWZUSMTSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)cc1C ZINC000101651002 569015255 /nfs/dbraw/zinc/01/52/55/569015255.db2.gz NQEXNWFQVIFXTJ-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)cc1C ZINC000101651002 569015256 /nfs/dbraw/zinc/01/52/56/569015256.db2.gz NQEXNWFQVIFXTJ-JQBIEYAESA-N 0 2 415.946 4.855 40 30 HJEBLN CC/N=C1/SC(CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C1CCCCCC1 ZINC000016577109 558796218 /nfs/dbraw/zinc/79/62/18/558796218.db2.gz MZKJDFVUVBAGST-MBOBHEEDSA-N 0 2 407.967 4.711 40 30 HJEBLN CC/N=C1/S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C1CCCCCC1 ZINC000016577109 558796220 /nfs/dbraw/zinc/79/62/20/558796220.db2.gz MZKJDFVUVBAGST-MBOBHEEDSA-N 0 2 407.967 4.711 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)cc1C ZINC000101649721 569014955 /nfs/dbraw/zinc/01/49/55/569014955.db2.gz YNBYLCPZRCCPAM-LWYOUWALSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)cc1C ZINC000101649721 569014956 /nfs/dbraw/zinc/01/49/56/569014956.db2.gz YNBYLCPZRCCPAM-LWYOUWALSA-N 0 2 424.551 4.503 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)cc1 ZINC000101650357 569015129 /nfs/dbraw/zinc/01/51/29/569015129.db2.gz YDCNVPGISQEOGB-AZCDHQAESA-N 0 2 422.337 4.892 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)cc1 ZINC000101650357 569015130 /nfs/dbraw/zinc/01/51/30/569015130.db2.gz YDCNVPGISQEOGB-AZCDHQAESA-N 0 2 422.337 4.892 40 30 HJEBLN COc1ccc(F)cc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020030071 558323887 /nfs/dbraw/zinc/32/38/87/558323887.db2.gz DFEBRKGLXJYDJE-UHFFFAOYSA-N 0 2 417.302 4.673 40 30 HJEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)cc1 ZINC000101651052 569015270 /nfs/dbraw/zinc/01/52/70/569015270.db2.gz LPILTKDFJPPJMZ-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cc(Cl)ccc3C)N(C)C2=O)cc1 ZINC000101651052 569015271 /nfs/dbraw/zinc/01/52/71/569015271.db2.gz LPILTKDFJPPJMZ-OLRQPGBRSA-N 0 2 401.919 4.547 40 30 HJEBLN CCOC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1 ZINC000005980036 557683411 /nfs/dbraw/zinc/68/34/11/557683411.db2.gz IHVXPXXJSYWIHA-BUVRLJJBSA-N 0 2 404.422 4.819 40 30 HJEBLN CSc1nnc(-c2ccccc2N=C(C(C)=O)c2c(C)cc(C)cc2C)c(=O)[nH]1 ZINC000101008315 559142691 /nfs/dbraw/zinc/14/26/91/559142691.db2.gz OWUWFTDIGUIIKY-FCDQGJHFSA-N 0 2 406.511 4.601 40 30 HJEBLN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc([N+](=O)[O-])ccc3O)c2C)cc1 ZINC000100212022 560723960 /nfs/dbraw/zinc/72/39/60/560723960.db2.gz QTYURDOIRSJJFW-YDZHTSKRSA-N 0 2 407.426 4.635 40 30 HJEBLN Cc1ccc(C)c(NC(=O)CC2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c1 ZINC000101649790 569015041 /nfs/dbraw/zinc/01/50/41/569015041.db2.gz QAUVIGXHDVUHQA-OLRQPGBRSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c1 ZINC000101649790 569015042 /nfs/dbraw/zinc/01/50/42/569015042.db2.gz QAUVIGXHDVUHQA-OLRQPGBRSA-N 0 2 419.909 4.686 40 30 HJEBLN Cc1ccccc1NC(=O)CC1S/C(=N/c2cccc(Cl)c2Cl)N(C)C1=O ZINC000101650340 569015162 /nfs/dbraw/zinc/01/51/62/569015162.db2.gz YFQHYWZDCMEMCS-DPFXTCQJSA-N 0 2 422.337 4.892 40 30 HJEBLN Cc1ccccc1NC(=O)C[C@H]1S/C(=N/c2cccc(Cl)c2Cl)N(C)C1=O ZINC000101650340 569015163 /nfs/dbraw/zinc/01/51/63/569015163.db2.gz YFQHYWZDCMEMCS-DPFXTCQJSA-N 0 2 422.337 4.892 40 30 HJEBLN CC/N=C1/SC(CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C1CCCCCC1 ZINC000016577106 558796189 /nfs/dbraw/zinc/79/61/89/558796189.db2.gz MZKJDFVUVBAGST-XGIGFIBQSA-N 0 2 407.967 4.711 40 30 HJEBLN CC/N=C1/S[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C1CCCCCC1 ZINC000016577106 558796191 /nfs/dbraw/zinc/79/61/91/558796191.db2.gz MZKJDFVUVBAGST-XGIGFIBQSA-N 0 2 407.967 4.711 40 30 HJEBLN C=CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2O)cc1Br ZINC000137155703 559290993 /nfs/dbraw/zinc/29/09/93/559290993.db2.gz OXXNLEPLGIKPIM-JMSNFKITSA-N 0 2 421.341 4.888 40 30 HJEBLN Cc1cccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c1C ZINC000101649898 569015011 /nfs/dbraw/zinc/01/50/11/569015011.db2.gz MLHUWQHYZGKTKU-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c1C ZINC000101649898 569015012 /nfs/dbraw/zinc/01/50/12/569015012.db2.gz MLHUWQHYZGKTKU-QAYQYMSWSA-N 0 2 415.946 4.855 40 30 HJEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCC(C)C)c(OC)c3)SC2=N)s1 ZINC000033702451 569362457 /nfs/dbraw/zinc/36/24/57/569362457.db2.gz KRCLJALYMVJTRJ-TXCNGVLFSA-N 0 2 417.556 4.562 40 30 HJEBLN